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 2cmj_1_B DATA FIRST_RESID 4 DATA SEQUENCE KIQGGSVVEM QGDEMTRIIW ELIKEKLILP YVELDLHSYD LGIENRDATN DATA SEQUENCE DQVTKDAAEA IKKYNVGVKC ATITPDEKRV EEFKLKQMWK SPNGTIRNIL DATA SEQUENCE GGTVFREAII CKNIPRLVTG WVKPIIIGRH AYGDQYRATD FVVPGPGKVE DATA SEQUENCE ITYTPKDGTQ KVTYMVHDFE EGGGVAMGMY NQDKSIEDFA HSSFQMALSK DATA SEQUENCE GWPLYLSTKN TILKKYDGRF KDIFQEIYDK KYKSQFEAQN ICYEHRLIDD DATA SEQUENCE MVAQAMKSEG GFIWACKNYD GDVQSDSVAQ GYGSLGMMTS VLICPDGKTV DATA SEQUENCE EAEAAHGTVT RHYRMYQKGQ ETSTNPIASI FAWSRGLAHR AKLDNNTELS DATA SEQUENCE FFAKALEDVC IETIEAGFMT KDLAACIKGL PNVQRSDYLN TFEFMDKLGE DATA SEQUENCE NLKAKLAQA 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.563 176.600 -0.062 0.000 0.988 4 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 4 K CB 0.000 32.458 32.500 -0.069 0.000 1.064 5 I N 2.266 122.813 120.570 -0.039 0.000 8.399 5 I HA -0.268 3.901 4.170 -0.003 0.000 0.126 5 I C -0.437 175.647 176.117 -0.055 0.000 1.785 5 I CA 0.731 62.004 61.300 -0.046 0.000 2.148 5 I CB -0.212 37.737 38.000 -0.084 0.000 3.696 5 I HN 0.260 nan 8.210 nan 0.000 0.202 6 Q N 6.399 126.182 119.800 -0.028 0.000 2.369 6 Q HA 0.231 4.570 4.340 -0.003 0.000 0.247 6 Q C 1.221 177.214 176.000 -0.012 0.000 1.083 6 Q CA 0.760 56.550 55.803 -0.022 0.000 0.905 6 Q CB 1.190 29.922 28.738 -0.009 0.000 1.305 6 Q HN 0.803 nan 8.270 nan 0.000 0.465 7 G N 1.904 110.693 108.800 -0.018 0.000 2.433 7 G HA2 0.132 4.090 3.960 -0.003 0.000 0.216 7 G HA3 0.132 4.090 3.960 -0.003 0.000 0.216 7 G C 0.670 175.589 174.900 0.031 0.000 1.186 7 G CA 0.636 45.740 45.100 0.006 0.000 0.779 7 G HN 0.925 nan 8.290 nan 0.000 0.543 8 G N -1.642 107.178 108.800 0.033 0.000 2.409 8 G HA2 0.138 4.096 3.960 -0.003 0.000 0.421 8 G HA3 0.138 4.096 3.960 -0.003 0.000 0.421 8 G C -0.393 174.547 174.900 0.066 0.000 1.259 8 G CA -0.062 45.069 45.100 0.052 0.000 1.011 8 G HN 0.870 nan 8.290 nan 0.000 0.497 9 S N -0.417 115.340 115.700 0.095 0.000 2.465 9 S HA 0.591 5.060 4.470 -0.003 0.000 0.279 9 S C 0.082 174.746 174.600 0.106 0.000 1.201 9 S CA -0.367 57.887 58.200 0.090 0.000 1.053 9 S CB 1.400 64.671 63.200 0.118 0.000 0.953 9 S HN 1.198 nan 8.310 nan 0.000 0.488 10 V N 3.944 123.925 119.914 0.112 0.000 2.638 10 V HA 0.334 4.453 4.120 -0.003 0.000 0.306 10 V C -0.297 175.879 176.094 0.137 0.000 1.052 10 V CA -0.873 61.498 62.300 0.119 0.000 0.885 10 V CB 2.048 33.944 31.823 0.122 0.000 0.999 10 V HN 0.656 nan 8.190 nan 0.000 0.424 11 V N 4.025 124.016 119.914 0.128 0.000 2.432 11 V HA 0.330 4.448 4.120 -0.003 0.000 0.271 11 V C 0.292 176.463 176.094 0.127 0.000 1.046 11 V CA -0.169 62.241 62.300 0.183 0.000 0.945 11 V CB 1.158 33.078 31.823 0.163 0.000 0.992 11 V HN 0.938 nan 8.190 nan 0.000 0.471 12 E N 5.339 125.657 120.200 0.196 0.000 2.191 12 E HA 0.624 4.973 4.350 -0.003 0.000 0.274 12 E C -1.264 175.469 176.600 0.222 0.000 0.948 12 E CA -0.826 55.688 56.400 0.190 0.000 0.802 12 E CB 1.588 31.479 29.700 0.319 0.000 1.137 12 E HN 0.646 nan 8.360 nan 0.000 0.397 13 M N 3.604 123.272 119.600 0.114 0.000 2.093 13 M HA 0.232 4.710 4.480 -0.003 0.000 0.297 13 M C -0.710 175.441 176.300 -0.248 0.000 0.938 13 M CA -0.454 54.836 55.300 -0.016 0.000 0.920 13 M CB 2.127 34.667 32.600 -0.100 0.000 1.517 13 M HN 0.351 nan 8.290 nan 0.000 0.427 14 Q N 1.011 120.721 119.800 -0.149 0.000 2.354 14 Q HA 0.624 4.962 4.340 -0.003 0.000 0.244 14 Q C 0.443 176.253 176.000 -0.318 0.000 0.969 14 Q CA -0.251 55.382 55.803 -0.284 0.000 0.885 14 Q CB 1.462 30.185 28.738 -0.025 0.000 1.241 14 Q HN 0.902 nan 8.270 nan 0.000 0.461 15 G N 0.800 109.384 108.800 -0.360 0.000 3.302 15 G HA2 0.339 4.297 3.960 -0.003 0.000 0.170 15 G HA3 0.339 4.297 3.960 -0.003 0.000 0.170 15 G C -1.040 173.747 174.900 -0.188 0.000 1.119 15 G CA -0.301 44.632 45.100 -0.279 0.000 0.826 15 G HN 0.548 nan 8.290 nan 0.000 0.646 16 D N -0.440 119.853 120.400 -0.178 0.000 2.547 16 D HA 0.440 5.078 4.640 -0.003 0.000 0.231 16 D C 0.054 176.223 176.300 -0.218 0.000 1.099 16 D CA -0.223 53.669 54.000 -0.180 0.000 0.901 16 D CB 2.612 43.300 40.800 -0.187 0.000 1.478 16 D HN 0.570 nan 8.370 nan 0.000 0.471 17 E N -0.496 119.469 120.200 -0.391 0.000 3.374 17 E HA -0.349 3.999 4.350 -0.003 0.000 0.375 17 E C 1.022 177.380 176.600 -0.404 0.000 1.535 17 E CA 1.137 57.005 56.400 -0.886 0.000 1.664 17 E CB -0.723 28.508 29.700 -0.782 0.000 1.707 17 E HN 0.345 nan 8.360 nan 0.000 0.469 18 M N 0.943 120.451 119.600 -0.153 0.000 2.117 18 M HA -0.115 4.363 4.480 -0.003 0.000 0.262 18 M C 2.359 178.690 176.300 0.052 0.000 1.065 18 M CA 2.857 58.196 55.300 0.065 0.000 1.114 18 M CB -0.623 32.054 32.600 0.129 0.000 1.361 18 M HN 0.614 nan 8.290 nan 0.000 0.408 19 T N -2.246 112.338 114.554 0.049 0.000 2.915 19 T HA -0.151 4.197 4.350 -0.003 0.000 0.269 19 T C 1.925 176.716 174.700 0.152 0.000 1.071 19 T CA 1.372 63.548 62.100 0.127 0.000 1.132 19 T CB -0.577 68.358 68.868 0.111 0.000 0.878 19 T HN 0.510 nan 8.240 nan 0.000 0.479 20 R N 0.931 121.466 120.500 0.058 0.000 2.073 20 R HA -0.080 4.258 4.340 -0.003 0.000 0.234 20 R C 2.199 178.621 176.300 0.203 0.000 1.134 20 R CA 1.477 57.638 56.100 0.101 0.000 0.952 20 R CB -0.448 29.865 30.300 0.022 0.000 0.850 20 R HN 0.292 nan 8.270 nan 0.000 0.433 21 I N 1.459 122.119 120.570 0.150 0.000 2.069 21 I HA -0.328 3.840 4.170 -0.003 0.000 0.237 21 I C 2.543 178.787 176.117 0.212 0.000 1.053 21 I CA 1.600 62.999 61.300 0.165 0.000 1.311 21 I CB -1.213 36.835 38.000 0.079 0.000 1.030 21 I HN 0.301 nan 8.210 nan 0.000 0.398 22 I N -0.511 120.182 120.570 0.205 0.000 2.194 22 I HA -0.368 3.800 4.170 -0.003 0.000 0.246 22 I C 2.675 178.958 176.117 0.276 0.000 1.093 22 I CA 1.638 63.069 61.300 0.218 0.000 1.355 22 I CB -0.464 37.665 38.000 0.216 0.000 1.046 22 I HN 0.438 nan 8.210 nan 0.000 0.413 23 W N 1.905 123.291 121.300 0.142 0.000 2.321 23 W HA -0.229 4.430 4.660 -0.003 0.000 0.306 23 W C 2.383 178.982 176.519 0.134 0.000 1.217 23 W CA 1.557 59.017 57.345 0.192 0.000 1.257 23 W CB 0.002 29.583 29.460 0.202 0.000 1.145 23 W HN 0.193 nan 8.180 nan 0.000 0.509 24 E N 0.279 120.639 120.200 0.266 0.000 2.112 24 E HA -0.133 4.215 4.350 -0.003 0.000 0.190 24 E C 2.309 178.929 176.600 0.033 0.000 0.979 24 E CA 0.868 57.344 56.400 0.128 0.000 0.814 24 E CB -0.891 28.907 29.700 0.164 0.000 0.762 24 E HN 0.393 nan 8.360 nan 0.000 0.460 25 L N 0.581 121.850 121.223 0.077 0.000 2.042 25 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 25 L C 2.494 179.337 176.870 -0.044 0.000 1.076 25 L CA 0.980 55.852 54.840 0.052 0.000 0.749 25 L CB -0.440 41.693 42.059 0.124 0.000 0.893 25 L HN 0.104 nan 8.230 nan 0.000 0.432 26 I N -0.334 120.171 120.570 -0.108 0.000 2.090 26 I HA -0.323 3.845 4.170 -0.003 0.000 0.236 26 I C 2.619 178.482 176.117 -0.424 0.000 1.064 26 I CA 1.456 62.597 61.300 -0.265 0.000 1.324 26 I CB -0.353 37.424 38.000 -0.372 0.000 1.044 26 I HN 0.159 nan 8.210 nan 0.000 0.399 27 K N 0.302 120.359 120.400 -0.572 0.000 2.089 27 K HA -0.296 4.023 4.320 -0.003 0.000 0.210 27 K C 2.103 178.497 176.600 -0.343 0.000 1.048 27 K CA 2.072 57.988 56.287 -0.618 0.000 0.926 27 K CB -0.256 31.963 32.500 -0.468 0.000 0.714 27 K HN 0.406 nan 8.250 nan 0.000 0.448 28 E N 1.091 121.163 120.200 -0.213 0.000 2.028 28 E HA -0.183 4.166 4.350 -0.003 0.000 0.191 28 E C 1.703 178.222 176.600 -0.134 0.000 0.988 28 E CA 1.295 57.610 56.400 -0.142 0.000 0.799 28 E CB 0.204 29.857 29.700 -0.078 0.000 0.755 28 E HN 0.176 nan 8.360 nan 0.000 0.447 29 K N -0.253 120.085 120.400 -0.102 0.000 2.137 29 K HA 0.047 4.366 4.320 -0.003 0.000 0.202 29 K C 2.056 178.665 176.600 0.015 0.000 1.052 29 K CA 0.807 57.064 56.287 -0.050 0.000 0.961 29 K CB 0.251 32.734 32.500 -0.029 0.000 0.741 29 K HN 0.210 nan 8.250 nan 0.000 0.452 30 L N -0.062 121.147 121.223 -0.024 0.000 2.642 30 L HA 0.144 4.482 4.340 -0.003 0.000 0.233 30 L C 1.631 178.635 176.870 0.222 0.000 1.077 30 L CA -0.050 54.844 54.840 0.090 0.000 0.879 30 L CB 0.162 42.186 42.059 -0.059 0.000 1.151 30 L HN 0.061 nan 8.230 nan 0.000 0.495 31 I N -0.358 120.189 120.570 -0.038 0.000 3.341 31 I HA -0.010 4.158 4.170 -0.003 0.000 0.243 31 I C 2.199 178.220 176.117 -0.160 0.000 1.094 31 I CA 0.761 62.009 61.300 -0.087 0.000 1.507 31 I CB -0.624 37.078 38.000 -0.496 0.000 1.441 31 I HN 0.094 nan 8.210 nan 0.000 0.465 32 L N 1.193 122.271 121.223 -0.241 0.000 2.201 32 L HA -0.075 4.264 4.340 -0.003 0.000 0.212 32 L C -0.475 176.226 176.870 -0.282 0.000 1.105 32 L CA 1.120 55.821 54.840 -0.231 0.000 0.775 32 L CB -1.783 40.158 42.059 -0.197 0.000 0.913 32 L HN 0.155 nan 8.230 nan 0.000 0.440 33 P HA -0.185 nan 4.420 nan 0.000 0.218 33 P C 0.629 177.498 177.300 -0.718 0.000 1.146 33 P CA 1.688 64.387 63.100 -0.668 0.000 0.813 33 P CB -0.002 31.045 31.700 -1.088 0.000 0.778 34 Y N -3.185 117.009 120.300 -0.177 0.000 2.430 34 Y HA 0.245 4.793 4.550 -0.003 0.000 0.254 34 Y C 0.567 176.228 175.900 -0.399 0.000 1.088 34 Y CA -0.336 57.617 58.100 -0.245 0.000 1.267 34 Y CB 0.702 39.044 38.460 -0.198 0.000 1.204 34 Y HN -0.364 nan 8.280 nan 0.000 0.515 35 V N 0.761 120.498 119.914 -0.296 0.000 2.577 35 V HA 0.318 4.436 4.120 -0.003 0.000 0.303 35 V C -0.947 175.043 176.094 -0.173 0.000 1.042 35 V CA -1.101 61.025 62.300 -0.290 0.000 0.872 35 V CB 2.077 33.659 31.823 -0.401 0.000 0.998 35 V HN -0.047 nan 8.190 nan 0.000 0.423 36 E N 3.934 124.061 120.200 -0.122 0.000 2.167 36 E HA 0.659 5.008 4.350 -0.003 0.000 0.284 36 E C -1.293 175.274 176.600 -0.056 0.000 1.016 36 E CA -0.057 56.292 56.400 -0.085 0.000 0.817 36 E CB 1.052 30.710 29.700 -0.070 0.000 1.080 36 E HN 0.621 nan 8.360 nan 0.000 0.397 37 L N 3.316 124.514 121.223 -0.041 0.000 2.362 37 L HA 0.350 4.688 4.340 -0.003 0.000 0.271 37 L C -0.508 176.342 176.870 -0.033 0.000 1.002 37 L CA -1.123 53.712 54.840 -0.010 0.000 0.818 37 L CB 1.876 43.962 42.059 0.044 0.000 1.298 37 L HN 0.491 nan 8.230 nan 0.000 0.420 38 D N 3.274 123.654 120.400 -0.033 0.000 2.455 38 D HA 0.159 4.797 4.640 -0.003 0.000 0.234 38 D C -0.787 175.437 176.300 -0.126 0.000 1.224 38 D CA -0.078 53.862 54.000 -0.100 0.000 0.999 38 D CB 0.330 41.103 40.800 -0.045 0.000 1.072 38 D HN 0.175 nan 8.370 nan 0.000 0.514 39 L N 5.529 126.657 121.223 -0.158 0.000 2.272 39 L HA 0.254 4.593 4.340 -0.003 0.000 0.284 39 L C -0.529 176.239 176.870 -0.170 0.000 1.045 39 L CA -0.507 54.299 54.840 -0.056 0.000 0.842 39 L CB 0.621 42.701 42.059 0.035 0.000 1.224 39 L HN 0.336 nan 8.230 nan 0.000 0.430 40 H N 3.622 122.644 119.070 -0.080 0.000 2.969 40 H HA 0.241 4.796 4.556 -0.003 0.000 0.269 40 H C -0.249 175.066 175.328 -0.021 0.000 1.223 40 H CA -0.369 55.623 56.048 -0.093 0.000 1.400 40 H CB 0.525 30.233 29.762 -0.090 0.000 1.500 40 H HN 0.539 nan 8.280 nan 0.000 0.486 41 S N 3.469 119.127 115.700 -0.070 0.000 2.499 41 S HA 0.288 4.756 4.470 -0.003 0.000 0.279 41 S C -0.493 173.953 174.600 -0.256 0.000 1.219 41 S CA -0.477 57.713 58.200 -0.017 0.000 1.062 41 S CB 0.405 63.613 63.200 0.014 0.000 0.978 41 S HN 0.394 nan 8.310 nan 0.000 0.489 42 Y N 0.923 121.256 120.300 0.054 0.000 2.350 42 Y HA 0.283 4.831 4.550 -0.003 0.000 0.338 42 Y C -0.013 175.880 175.900 -0.012 0.000 0.961 42 Y CA -1.183 56.926 58.100 0.015 0.000 1.100 42 Y CB 1.151 39.611 38.460 -0.000 0.000 1.179 42 Y HN 0.482 nan 8.280 nan 0.000 0.454 43 D N 4.262 124.713 120.400 0.085 0.000 2.422 43 D HA 0.170 4.808 4.640 -0.003 0.000 0.227 43 D C 0.118 176.408 176.300 -0.017 0.000 1.190 43 D CA 0.186 54.199 54.000 0.022 0.000 0.905 43 D CB 0.515 41.318 40.800 0.004 0.000 1.034 43 D HN 0.627 nan 8.370 nan 0.000 0.507 44 L N 2.796 123.987 121.223 -0.054 0.000 2.672 44 L HA 0.278 4.616 4.340 -0.003 0.000 0.236 44 L C 1.480 178.262 176.870 -0.147 0.000 1.186 44 L CA -0.536 54.239 54.840 -0.109 0.000 0.977 44 L CB -0.304 41.679 42.059 -0.127 0.000 1.203 44 L HN 0.314 nan 8.230 nan 0.000 0.448 45 G N 0.125 108.847 108.800 -0.131 0.000 2.559 45 G HA2 0.036 3.994 3.960 -0.003 0.000 0.235 45 G HA3 0.036 3.994 3.960 -0.003 0.000 0.235 45 G C 0.901 175.683 174.900 -0.196 0.000 1.266 45 G CA -0.307 44.702 45.100 -0.152 0.000 0.847 45 G HN 0.137 nan 8.290 nan 0.000 0.583 46 I N 0.689 121.094 120.570 -0.275 0.000 2.163 46 I HA -0.138 4.030 4.170 -0.003 0.000 0.243 46 I C 2.524 178.474 176.117 -0.279 0.000 1.085 46 I CA 1.852 62.940 61.300 -0.354 0.000 1.347 46 I CB -0.149 37.451 38.000 -0.667 0.000 1.044 46 I HN 0.676 nan 8.210 nan 0.000 0.408 47 E N 0.242 120.304 120.200 -0.229 0.000 2.058 47 E HA -0.277 4.071 4.350 -0.003 0.000 0.194 47 E C 2.033 178.585 176.600 -0.079 0.000 0.997 47 E CA 1.769 58.116 56.400 -0.088 0.000 0.801 47 E CB -0.508 29.187 29.700 -0.008 0.000 0.746 47 E HN 0.526 nan 8.360 nan 0.000 0.450 48 N N 0.201 118.842 118.700 -0.100 0.000 2.216 48 N HA -0.065 4.674 4.740 -0.003 0.000 0.183 48 N C 1.523 176.932 175.510 -0.167 0.000 1.017 48 N CA 0.879 53.870 53.050 -0.098 0.000 0.861 48 N CB 0.143 38.587 38.487 -0.071 0.000 0.986 48 N HN 0.004 nan 8.380 nan 0.000 0.428 49 R N -0.092 120.262 120.500 -0.243 0.000 2.073 49 R HA -0.119 4.219 4.340 -0.003 0.000 0.234 49 R C 1.502 177.427 176.300 -0.624 0.000 1.134 49 R CA 1.606 57.457 56.100 -0.415 0.000 0.952 49 R CB -0.411 29.628 30.300 -0.435 0.000 0.850 49 R HN 0.327 nan 8.270 nan 0.000 0.433 50 D N 0.246 120.388 120.400 -0.431 0.000 2.092 50 D HA -0.147 4.492 4.640 -0.003 0.000 0.193 50 D C 1.780 178.033 176.300 -0.078 0.000 0.994 50 D CA 1.717 55.624 54.000 -0.155 0.000 0.828 50 D CB -0.081 40.805 40.800 0.142 0.000 0.963 50 D HN 0.238 nan 8.370 nan 0.000 0.450 51 A N -0.626 122.152 122.820 -0.070 0.000 1.940 51 A HA -0.155 4.164 4.320 -0.003 0.000 0.219 51 A C 2.176 179.729 177.584 -0.053 0.000 1.176 51 A CA 2.545 54.565 52.037 -0.028 0.000 0.631 51 A CB -0.988 17.998 19.000 -0.023 0.000 0.814 51 A HN 0.454 nan 8.150 nan 0.000 0.446 52 T N -4.060 110.418 114.554 -0.128 0.000 3.163 52 T HA 0.169 4.517 4.350 -0.003 0.000 0.252 52 T C 0.316 174.912 174.700 -0.174 0.000 1.056 52 T CA 0.218 62.248 62.100 -0.117 0.000 0.947 52 T CB -0.367 68.438 68.868 -0.106 0.000 1.016 52 T HN 0.423 nan 8.240 nan 0.000 0.554 53 N N 2.212 120.759 118.700 -0.255 0.000 2.727 53 N HA -0.199 4.539 4.740 -0.003 0.000 0.249 53 N C 0.169 175.294 175.510 -0.642 0.000 1.048 53 N CA 1.324 54.164 53.050 -0.350 0.000 0.714 53 N CB -1.663 36.859 38.487 0.059 0.000 0.959 53 N HN 0.696 nan 8.380 nan 0.000 0.544 54 D N -1.709 118.167 120.400 -0.873 0.000 3.046 54 D HA -0.249 4.389 4.640 -0.003 0.000 0.210 54 D C 1.109 177.250 176.300 -0.264 0.000 1.124 54 D CA 1.883 55.520 54.000 -0.606 0.000 0.986 54 D CB -0.696 39.767 40.800 -0.562 0.000 1.118 54 D HN 0.597 nan 8.370 nan 0.000 0.416 55 Q N 0.099 119.785 119.800 -0.190 0.000 2.170 55 Q HA -0.014 4.324 4.340 -0.003 0.000 0.203 55 Q C 2.098 178.059 176.000 -0.065 0.000 0.976 55 Q CA 1.869 57.619 55.803 -0.088 0.000 0.858 55 Q CB -0.346 28.364 28.738 -0.045 0.000 0.907 55 Q HN 0.438 nan 8.270 nan 0.000 0.433 56 V N -0.168 119.702 119.914 -0.073 0.000 2.469 56 V HA -0.279 3.839 4.120 -0.003 0.000 0.251 56 V C 1.647 177.706 176.094 -0.059 0.000 1.064 56 V CA 2.508 64.809 62.300 0.002 0.000 1.066 56 V CB -0.558 31.270 31.823 0.009 0.000 0.667 56 V HN 0.567 nan 8.190 nan 0.000 0.461 57 T N -0.400 114.084 114.554 -0.117 0.000 2.812 57 T HA -0.147 4.202 4.350 -0.003 0.000 0.264 57 T C 1.859 176.476 174.700 -0.139 0.000 1.042 57 T CA 1.695 63.713 62.100 -0.136 0.000 1.140 57 T CB -0.175 68.617 68.868 -0.127 0.000 0.870 57 T HN 0.498 nan 8.240 nan 0.000 0.445 58 K N 0.845 121.183 120.400 -0.103 0.000 2.097 58 K HA -0.070 4.248 4.320 -0.003 0.000 0.205 58 K C 1.996 178.529 176.600 -0.113 0.000 1.050 58 K CA 1.246 57.483 56.287 -0.083 0.000 0.938 58 K CB -0.042 32.432 32.500 -0.042 0.000 0.718 58 K HN 0.206 nan 8.250 nan 0.000 0.442 59 D N 0.632 120.963 120.400 -0.116 0.000 2.178 59 D HA -0.104 4.535 4.640 -0.003 0.000 0.202 59 D C 1.785 177.798 176.300 -0.478 0.000 0.974 59 D CA 1.098 55.022 54.000 -0.127 0.000 0.841 59 D CB -0.114 40.734 40.800 0.080 0.000 0.953 59 D HN 0.196 nan 8.370 nan 0.000 0.478 60 A N 1.114 123.512 122.820 -0.703 0.000 1.898 60 A HA -0.000 4.318 4.320 -0.003 0.000 0.216 60 A C 2.322 179.632 177.584 -0.457 0.000 1.181 60 A CA 1.989 53.438 52.037 -0.980 0.000 0.620 60 A CB -0.662 17.963 19.000 -0.626 0.000 0.819 60 A HN 0.224 nan 8.150 nan 0.000 0.442 61 A N -0.248 122.410 122.820 -0.270 0.000 1.877 61 A HA -0.152 4.167 4.320 -0.003 0.000 0.216 61 A C 1.923 179.433 177.584 -0.123 0.000 1.186 61 A CA 1.748 53.693 52.037 -0.154 0.000 0.620 61 A CB -0.438 18.502 19.000 -0.101 0.000 0.822 61 A HN 0.440 nan 8.150 nan 0.000 0.443 62 E N 0.092 120.218 120.200 -0.123 0.000 2.110 62 E HA -0.121 4.227 4.350 -0.003 0.000 0.193 62 E C 2.332 178.885 176.600 -0.077 0.000 0.988 62 E CA 1.198 57.549 56.400 -0.081 0.000 0.804 62 E CB -0.749 28.918 29.700 -0.055 0.000 0.745 62 E HN 0.576 nan 8.360 nan 0.000 0.458 63 A N 1.427 124.196 122.820 -0.085 0.000 1.883 63 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 63 A C 2.378 179.990 177.584 0.048 0.000 1.186 63 A CA 1.481 53.539 52.037 0.035 0.000 0.624 63 A CB -0.812 18.248 19.000 0.099 0.000 0.822 63 A HN 0.204 nan 8.150 nan 0.000 0.444 64 I N -0.616 119.945 120.570 -0.014 0.000 2.208 64 I HA -0.315 3.853 4.170 -0.003 0.000 0.245 64 I C 2.508 178.621 176.117 -0.006 0.000 1.097 64 I CA 1.805 63.111 61.300 0.010 0.000 1.363 64 I CB -0.304 37.681 38.000 -0.027 0.000 1.051 64 I HN 0.297 nan 8.210 nan 0.000 0.413 65 K N 0.673 121.048 120.400 -0.043 0.000 2.063 65 K HA -0.259 4.059 4.320 -0.003 0.000 0.208 65 K C 2.215 178.754 176.600 -0.101 0.000 1.048 65 K CA 1.652 57.905 56.287 -0.056 0.000 0.928 65 K CB -0.099 32.364 32.500 -0.060 0.000 0.713 65 K HN 0.208 nan 8.250 nan 0.000 0.442 66 K N -0.308 119.980 120.400 -0.187 0.000 2.007 66 K HA -0.119 4.199 4.320 -0.003 0.000 0.206 66 K C 1.609 177.935 176.600 -0.456 0.000 1.047 66 K CA 1.407 57.451 56.287 -0.406 0.000 0.937 66 K CB 0.022 32.115 32.500 -0.678 0.000 0.718 66 K HN 0.106 nan 8.250 nan 0.000 0.438 67 Y N 0.594 120.857 120.300 -0.062 0.000 2.482 67 Y HA 0.158 4.706 4.550 -0.003 0.000 0.270 67 Y C 0.589 176.495 175.900 0.009 0.000 1.152 67 Y CA 0.023 58.096 58.100 -0.044 0.000 1.292 67 Y CB 0.359 38.760 38.460 -0.099 0.000 1.070 67 Y HN 0.219 nan 8.280 nan 0.000 0.528 68 N N -1.128 117.638 118.700 0.109 0.000 2.972 68 N HA -0.167 4.572 4.740 -0.003 0.000 0.225 68 N C -0.913 174.695 175.510 0.164 0.000 0.883 68 N CA 1.099 54.220 53.050 0.118 0.000 1.010 68 N CB -1.251 37.313 38.487 0.128 0.000 1.052 68 N HN 0.113 nan 8.380 nan 0.000 0.598 69 V N 0.217 120.228 119.914 0.162 0.000 2.525 69 V HA 0.778 4.896 4.120 -0.003 0.000 0.299 69 V C 0.513 176.659 176.094 0.086 0.000 1.034 69 V CA -0.356 62.032 62.300 0.148 0.000 0.863 69 V CB 1.817 33.745 31.823 0.176 0.000 0.999 69 V HN 0.254 nan 8.190 nan 0.000 0.423 70 G N 2.827 111.647 108.800 0.034 0.000 2.495 70 G HA2 0.716 4.675 3.960 -0.003 0.000 0.318 70 G HA3 0.716 4.675 3.960 -0.003 0.000 0.318 70 G C -0.940 173.925 174.900 -0.058 0.000 1.257 70 G CA -0.686 44.409 45.100 -0.007 0.000 0.962 70 G HN 1.058 nan 8.290 nan 0.000 0.483 71 V N -0.704 119.143 119.914 -0.112 0.000 2.443 71 V HA 0.746 4.864 4.120 -0.003 0.000 0.293 71 V C -0.509 175.556 176.094 -0.049 0.000 1.021 71 V CA -1.238 60.958 62.300 -0.174 0.000 0.848 71 V CB 1.335 32.790 31.823 -0.612 0.000 0.998 71 V HN 0.715 nan 8.190 nan 0.000 0.424 72 K N 3.949 124.303 120.400 -0.076 0.000 2.292 72 K HA 0.640 4.958 4.320 -0.003 0.000 0.257 72 K C -0.613 175.641 176.600 -0.577 0.000 0.940 72 K CA -0.465 55.651 56.287 -0.285 0.000 0.811 72 K CB 1.887 34.260 32.500 -0.212 0.000 1.120 72 K HN 0.997 nan 8.250 nan 0.000 0.428 73 C N 3.277 121.878 119.300 -1.165 0.000 2.443 73 C HA 0.648 5.106 4.460 -0.003 0.000 0.369 73 C C 0.640 175.323 174.990 -0.512 0.000 1.241 73 C CA -0.448 57.873 59.018 -1.161 0.000 2.413 73 C CB -0.037 26.706 27.740 -1.662 0.000 2.451 73 C HN 0.908 nan 8.230 nan 0.000 0.595 74 A N 3.673 126.306 122.820 -0.311 0.000 2.483 74 A HA 0.537 4.856 4.320 -0.003 0.000 0.238 74 A C 0.492 177.962 177.584 -0.191 0.000 1.070 74 A CA 0.597 52.515 52.037 -0.199 0.000 0.770 74 A CB -0.039 18.899 19.000 -0.103 0.000 1.008 74 A HN 1.206 nan 8.150 nan 0.000 0.497 75 T N -0.182 114.281 114.554 -0.152 0.000 2.907 75 T HA 0.640 4.988 4.350 -0.003 0.000 0.292 75 T C -0.227 174.416 174.700 -0.095 0.000 1.043 75 T CA -0.565 61.451 62.100 -0.141 0.000 1.003 75 T CB 0.864 69.645 68.868 -0.145 0.000 1.084 75 T HN 0.417 nan 8.240 nan 0.000 0.483 76 I N 2.174 122.685 120.570 -0.100 0.000 2.496 76 I HA 0.212 4.380 4.170 -0.003 0.000 0.285 76 I C 0.422 176.522 176.117 -0.028 0.000 1.080 76 I CA -0.054 61.215 61.300 -0.053 0.000 1.404 76 I CB 0.861 38.821 38.000 -0.067 0.000 1.403 76 I HN 0.686 nan 8.210 nan 0.000 0.539 77 T N 7.823 122.382 114.554 0.009 0.000 2.753 77 T HA 0.321 4.669 4.350 -0.003 0.000 0.297 77 T C -2.295 172.439 174.700 0.057 0.000 0.981 77 T CA -1.234 60.887 62.100 0.035 0.000 0.956 77 T CB 0.753 69.639 68.868 0.031 0.000 0.936 77 T HN 0.354 nan 8.240 nan 0.000 0.463 78 P HA 0.299 nan 4.420 nan 0.000 0.276 78 P C -0.694 176.642 177.300 0.059 0.000 1.230 78 P CA -0.382 62.776 63.100 0.095 0.000 0.776 78 P CB 0.864 32.641 31.700 0.129 0.000 0.888 79 D N 1.304 121.738 120.400 0.057 0.000 2.668 79 D HA 0.156 4.794 4.640 -0.003 0.000 0.249 79 D C 0.907 177.226 176.300 0.032 0.000 1.150 79 D CA -0.508 53.509 54.000 0.029 0.000 1.090 79 D CB 0.053 40.868 40.800 0.024 0.000 1.244 79 D HN 0.080 nan 8.370 nan 0.000 0.636 80 E N -0.170 120.039 120.200 0.016 0.000 2.085 80 E HA -0.155 4.193 4.350 -0.003 0.000 0.194 80 E C 1.811 178.429 176.600 0.030 0.000 0.994 80 E CA 1.559 57.967 56.400 0.013 0.000 0.801 80 E CB -0.121 29.580 29.700 0.002 0.000 0.743 80 E HN 0.381 nan 8.360 nan 0.000 0.453 81 K N 0.097 120.518 120.400 0.035 0.000 2.063 81 K HA -0.095 4.223 4.320 -0.003 0.000 0.208 81 K C 2.091 178.729 176.600 0.063 0.000 1.048 81 K CA 0.945 57.255 56.287 0.038 0.000 0.928 81 K CB 0.011 32.532 32.500 0.035 0.000 0.713 81 K HN -0.022 nan 8.250 nan 0.000 0.442 82 R N 0.575 121.145 120.500 0.116 0.000 2.081 82 R HA -0.068 4.270 4.340 -0.003 0.000 0.235 82 R C 2.323 178.781 176.300 0.265 0.000 1.131 82 R CA 0.807 57.052 56.100 0.242 0.000 0.960 82 R CB -1.079 29.382 30.300 0.268 0.000 0.856 82 R HN 0.069 nan 8.270 nan 0.000 0.436 83 V N 1.483 121.487 119.914 0.149 0.000 2.287 83 V HA -0.248 3.870 4.120 -0.003 0.000 0.248 83 V C 2.458 178.613 176.094 0.101 0.000 1.053 83 V CA 2.145 64.513 62.300 0.113 0.000 1.027 83 V CB -0.441 31.400 31.823 0.029 0.000 0.646 83 V HN 0.249 nan 8.190 nan 0.000 0.447 84 E N 0.553 120.789 120.200 0.059 0.000 2.047 84 E HA -0.241 4.107 4.350 -0.003 0.000 0.191 84 E C 2.240 178.839 176.600 -0.002 0.000 0.987 84 E CA 1.899 58.315 56.400 0.026 0.000 0.799 84 E CB -0.391 29.314 29.700 0.008 0.000 0.752 84 E HN 0.666 nan 8.360 nan 0.000 0.449 85 E N -1.208 118.964 120.200 -0.048 0.000 2.085 85 E HA -0.192 4.156 4.350 -0.003 0.000 0.194 85 E C 1.048 177.439 176.600 -0.349 0.000 0.994 85 E CA 1.349 57.600 56.400 -0.249 0.000 0.801 85 E CB -0.199 29.260 29.700 -0.401 0.000 0.743 85 E HN 0.387 nan 8.360 nan 0.000 0.453 86 F N 0.319 120.308 119.950 0.065 0.000 2.653 86 F HA 0.249 4.774 4.527 -0.003 0.000 0.304 86 F C -0.070 175.773 175.800 0.073 0.000 1.092 86 F CA -0.509 57.535 58.000 0.074 0.000 1.279 86 F CB 0.759 39.811 39.000 0.088 0.000 1.044 86 F HN -0.244 nan 8.300 nan 0.000 0.564 87 K N 1.749 122.257 120.400 0.179 0.000 3.730 87 K HA -0.193 4.125 4.320 -0.003 0.000 0.276 87 K C -0.451 176.244 176.600 0.158 0.000 0.904 87 K CA 0.444 56.809 56.287 0.130 0.000 0.741 87 K CB -1.937 30.621 32.500 0.097 0.000 1.542 87 K HN 0.420 nan 8.250 nan 0.000 0.446 88 L N 0.607 121.932 121.223 0.171 0.000 2.439 88 L HA 0.137 4.476 4.340 -0.003 0.000 0.261 88 L C 2.006 178.923 176.870 0.080 0.000 1.153 88 L CA -0.395 54.555 54.840 0.183 0.000 0.808 88 L CB 0.466 42.644 42.059 0.199 0.000 1.126 88 L HN 0.180 nan 8.230 nan 0.000 0.460 89 K N 0.493 120.964 120.400 0.118 0.000 2.062 89 K HA -0.014 4.304 4.320 -0.003 0.000 0.205 89 K C 0.168 176.618 176.600 -0.249 0.000 1.051 89 K CA 1.106 57.402 56.287 0.015 0.000 0.941 89 K CB 0.118 32.730 32.500 0.187 0.000 0.719 89 K HN 0.535 nan 8.250 nan 0.000 0.440 90 Q N -0.686 118.716 119.800 -0.663 0.000 2.544 90 Q HA 0.349 4.688 4.340 -0.003 0.000 0.291 90 Q C -1.240 174.229 176.000 -0.886 0.000 1.068 90 Q CA -0.608 54.661 55.803 -0.890 0.000 0.785 90 Q CB 2.306 30.245 28.738 -1.331 0.000 1.481 90 Q HN -0.008 nan 8.270 nan 0.000 0.430 91 M N 2.015 121.299 119.600 -0.527 0.000 2.775 91 M HA 0.190 4.668 4.480 -0.003 0.000 0.313 91 M C -1.434 174.709 176.300 -0.261 0.000 1.429 91 M CA 0.003 55.126 55.300 -0.295 0.000 1.494 91 M CB 0.144 32.656 32.600 -0.146 0.000 1.274 91 M HN 0.424 nan 8.290 nan 0.000 0.491 92 W N 4.288 125.588 121.300 0.000 0.000 2.193 92 W HA 0.078 4.736 4.660 -0.003 0.000 0.338 92 W C 0.570 177.082 176.519 -0.012 0.000 1.310 92 W CA -0.479 56.861 57.345 -0.009 0.000 1.243 92 W CB 0.182 29.628 29.460 -0.023 0.000 1.165 92 W HN 0.382 nan 8.180 nan 0.000 0.566 93 K N 1.809 122.358 120.400 0.247 0.000 2.319 93 K HA 0.075 4.393 4.320 -0.003 0.000 0.265 93 K C 0.587 177.254 176.600 0.111 0.000 1.000 93 K CA -0.427 55.941 56.287 0.135 0.000 0.943 93 K CB 0.615 33.183 32.500 0.113 0.000 0.950 93 K HN 0.428 nan 8.250 nan 0.000 0.485 94 S N 2.571 118.312 115.700 0.068 0.000 2.596 94 S HA 0.010 4.478 4.470 -0.003 0.000 0.298 94 S C -1.629 172.981 174.600 0.016 0.000 1.255 94 S CA -1.174 57.051 58.200 0.041 0.000 1.083 94 S CB 0.329 63.559 63.200 0.051 0.000 0.837 94 S HN 0.321 nan 8.310 nan 0.000 0.499 95 P HA -0.101 nan 4.420 nan 0.000 0.216 95 P C 1.168 178.434 177.300 -0.057 0.000 1.150 95 P CA 1.094 64.163 63.100 -0.052 0.000 0.837 95 P CB 0.002 31.649 31.700 -0.089 0.000 0.786 96 N N -0.178 118.488 118.700 -0.057 0.000 2.058 96 N HA -0.114 4.625 4.740 -0.003 0.000 0.191 96 N C 2.108 177.587 175.510 -0.052 0.000 1.037 96 N CA 1.872 54.881 53.050 -0.068 0.000 0.848 96 N CB -1.341 37.098 38.487 -0.079 0.000 1.021 96 N HN 0.173 nan 8.380 nan 0.000 0.422 97 G N 0.424 109.217 108.800 -0.011 0.000 2.440 97 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.218 97 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.218 97 G C 1.622 176.521 174.900 -0.002 0.000 1.154 97 G CA 1.539 46.645 45.100 0.011 0.000 0.767 97 G HN 0.285 nan 8.290 nan 0.000 0.552 98 T N 1.155 115.708 114.554 -0.001 0.000 2.737 98 T HA -0.033 4.316 4.350 -0.003 0.000 0.265 98 T C 2.409 177.101 174.700 -0.013 0.000 1.038 98 T CA 1.037 63.137 62.100 0.000 0.000 1.144 98 T CB -0.145 68.720 68.868 -0.005 0.000 0.866 98 T HN 0.245 nan 8.240 nan 0.000 0.434 99 I N 0.631 121.178 120.570 -0.039 0.000 2.142 99 I HA -0.167 4.002 4.170 -0.003 0.000 0.240 99 I C 2.779 178.879 176.117 -0.029 0.000 1.078 99 I CA 1.379 62.649 61.300 -0.050 0.000 1.343 99 I CB -0.275 37.679 38.000 -0.078 0.000 1.046 99 I HN 0.094 nan 8.210 nan 0.000 0.405 100 R N 0.440 120.918 120.500 -0.035 0.000 2.096 100 R HA -0.185 4.153 4.340 -0.003 0.000 0.235 100 R C 2.189 178.517 176.300 0.047 0.000 1.127 100 R CA 1.564 57.650 56.100 -0.024 0.000 0.968 100 R CB -0.624 29.628 30.300 -0.080 0.000 0.861 100 R HN 0.481 nan 8.270 nan 0.000 0.440 101 N N 0.958 119.691 118.700 0.054 0.000 2.166 101 N HA -0.159 4.580 4.740 -0.003 0.000 0.186 101 N C 1.670 177.291 175.510 0.185 0.000 1.019 101 N CA 1.127 54.267 53.050 0.150 0.000 0.856 101 N CB 0.095 38.624 38.487 0.070 0.000 0.993 101 N HN 0.194 nan 8.380 nan 0.000 0.426 102 I N 0.678 121.301 120.570 0.088 0.000 2.277 102 I HA -0.181 3.988 4.170 -0.003 0.000 0.243 102 I C 2.080 178.222 176.117 0.041 0.000 1.094 102 I CA 0.647 61.982 61.300 0.059 0.000 1.393 102 I CB 0.003 38.013 38.000 0.017 0.000 1.078 102 I HN 0.111 nan 8.210 nan 0.000 0.417 103 L N -0.070 121.169 121.223 0.027 0.000 2.162 103 L HA 0.229 4.567 4.340 -0.003 0.000 0.205 103 L C 1.318 178.199 176.870 0.019 0.000 1.086 103 L CA 0.461 55.307 54.840 0.010 0.000 0.778 103 L CB -1.014 41.041 42.059 -0.007 0.000 0.928 103 L HN 0.437 nan 8.230 nan 0.000 0.446 104 G N -0.407 108.421 108.800 0.045 0.000 2.796 104 G HA2 0.144 4.102 3.960 -0.003 0.000 0.226 104 G HA3 0.144 4.102 3.960 -0.003 0.000 0.226 104 G C 0.156 175.081 174.900 0.042 0.000 1.381 104 G CA -0.250 44.878 45.100 0.047 0.000 0.867 104 G HN 0.863 nan 8.290 nan 0.000 0.552 105 G N -2.883 105.961 108.800 0.073 0.000 2.352 105 G HA2 0.541 4.499 3.960 -0.003 0.000 0.324 105 G HA3 0.541 4.499 3.960 -0.003 0.000 0.324 105 G C -0.363 174.584 174.900 0.078 0.000 1.249 105 G CA 0.431 45.579 45.100 0.081 0.000 1.053 105 G HN 2.227 nan 8.290 nan 0.000 0.492 106 T N 0.212 114.772 114.554 0.009 0.000 2.841 106 T HA 0.568 4.916 4.350 -0.003 0.000 0.285 106 T C -0.073 174.445 174.700 -0.303 0.000 0.991 106 T CA -0.347 61.650 62.100 -0.172 0.000 0.966 106 T CB 1.920 70.623 68.868 -0.276 0.000 0.962 106 T HN 1.050 nan 8.240 nan 0.000 0.438 107 V N 4.314 124.039 119.914 -0.316 0.000 2.372 107 V HA 0.335 4.454 4.120 -0.003 0.000 0.261 107 V C -0.501 175.416 176.094 -0.295 0.000 1.055 107 V CA -0.568 61.595 62.300 -0.229 0.000 0.930 107 V CB -0.721 30.987 31.823 -0.193 0.000 1.031 107 V HN 0.731 nan 8.190 nan 0.000 0.479 108 F N 5.002 124.947 119.950 -0.008 0.000 2.411 108 F HA 0.568 5.094 4.527 -0.003 0.000 0.355 108 F C 0.937 176.724 175.800 -0.022 0.000 1.117 108 F CA -0.268 57.732 58.000 -0.001 0.000 1.139 108 F CB 0.801 39.807 39.000 0.010 0.000 1.120 108 F HN 0.327 nan 8.300 nan 0.000 0.493 109 R N 2.716 123.300 120.500 0.141 0.000 2.599 109 R HA 0.594 4.933 4.340 -0.003 0.000 0.295 109 R C -1.071 175.254 176.300 0.042 0.000 0.963 109 R CA -0.966 55.163 56.100 0.048 0.000 0.883 109 R CB 2.831 33.114 30.300 -0.028 0.000 1.171 109 R HN 0.661 nan 8.270 nan 0.000 0.450 110 E N 1.276 121.476 120.200 0.000 0.000 2.363 110 E HA 0.391 4.739 4.350 -0.003 0.000 0.281 110 E C -1.401 175.129 176.600 -0.117 0.000 0.953 110 E CA -0.598 55.771 56.400 -0.052 0.000 0.778 110 E CB 2.138 31.825 29.700 -0.022 0.000 1.220 110 E HN 0.719 nan 8.360 nan 0.000 0.431 111 A N 3.566 126.242 122.820 -0.241 0.000 2.466 111 A HA 0.345 4.664 4.320 -0.003 0.000 0.238 111 A C -0.087 177.346 177.584 -0.252 0.000 1.074 111 A CA 0.111 51.974 52.037 -0.290 0.000 0.774 111 A CB 0.123 18.743 19.000 -0.634 0.000 1.015 111 A HN 0.539 nan 8.150 nan 0.000 0.498 112 I N 2.434 122.867 120.570 -0.229 0.000 2.312 112 I HA 0.211 4.379 4.170 -0.003 0.000 0.290 112 I C -0.623 175.399 176.117 -0.158 0.000 1.008 112 I CA -0.312 60.838 61.300 -0.249 0.000 1.226 112 I CB 1.023 38.742 38.000 -0.468 0.000 1.371 112 I HN 0.358 nan 8.210 nan 0.000 0.468 113 I N 6.065 126.573 120.570 -0.104 0.000 2.321 113 I HA 0.264 4.432 4.170 -0.003 0.000 0.291 113 I C -0.196 175.926 176.117 0.009 0.000 0.998 113 I CA -0.424 60.852 61.300 -0.040 0.000 1.227 113 I CB 1.252 39.231 38.000 -0.035 0.000 1.368 113 I HN 0.544 nan 8.210 nan 0.000 0.466 114 C N 6.140 125.458 119.300 0.029 0.000 2.382 114 C HA 0.300 4.759 4.460 -0.003 0.000 0.327 114 C C 1.840 176.861 174.990 0.053 0.000 1.250 114 C CA -0.870 58.175 59.018 0.046 0.000 1.707 114 C CB 1.462 29.232 27.740 0.050 0.000 2.272 114 C HN 0.781 nan 8.230 nan 0.000 0.506 115 K N 1.936 122.368 120.400 0.053 0.000 2.211 115 K HA -0.154 4.164 4.320 -0.003 0.000 0.204 115 K C 1.408 178.034 176.600 0.044 0.000 1.047 115 K CA 1.545 57.862 56.287 0.050 0.000 0.935 115 K CB 0.005 32.532 32.500 0.046 0.000 0.728 115 K HN 0.760 nan 8.250 nan 0.000 0.452 116 N N 0.556 119.280 118.700 0.040 0.000 2.336 116 N HA -0.035 4.703 4.740 -0.003 0.000 0.189 116 N C -0.125 175.401 175.510 0.027 0.000 1.113 116 N CA 0.262 53.330 53.050 0.029 0.000 0.858 116 N CB 0.319 38.820 38.487 0.024 0.000 0.970 116 N HN -0.009 nan 8.380 nan 0.000 0.471 117 I N 2.350 122.942 120.570 0.036 0.000 2.307 117 I HA 0.387 4.556 4.170 -0.003 0.000 0.289 117 I C -2.311 173.832 176.117 0.043 0.000 1.021 117 I CA -2.610 58.711 61.300 0.034 0.000 1.224 117 I CB 0.672 38.695 38.000 0.037 0.000 1.376 117 I HN -0.226 nan 8.210 nan 0.000 0.470 118 P HA 0.275 nan 4.420 nan 0.000 0.271 118 P C -0.140 177.171 177.300 0.018 0.000 1.216 118 P CA -0.280 62.830 63.100 0.016 0.000 0.776 118 P CB 0.638 32.336 31.700 -0.005 0.000 0.881 119 R N 1.549 122.055 120.500 0.011 0.000 2.577 119 R HA 0.303 4.641 4.340 -0.003 0.000 0.269 119 R C 1.261 177.502 176.300 -0.098 0.000 1.084 119 R CA -0.664 55.422 56.100 -0.022 0.000 1.163 119 R CB 0.296 30.559 30.300 -0.061 0.000 1.100 119 R HN 0.439 nan 8.270 nan 0.000 0.547 120 L N 0.763 121.902 121.223 -0.140 0.000 2.341 120 L HA 0.058 4.397 4.340 -0.003 0.000 0.214 120 L C 0.210 176.901 176.870 -0.299 0.000 1.115 120 L CA 0.482 55.217 54.840 -0.177 0.000 0.820 120 L CB 0.313 42.287 42.059 -0.140 0.000 0.944 120 L HN 0.267 nan 8.230 nan 0.000 0.452 121 V N -0.008 119.610 119.914 -0.494 0.000 2.333 121 V HA 0.057 4.175 4.120 -0.003 0.000 0.274 121 V C 1.405 177.156 176.094 -0.570 0.000 1.028 121 V CA 0.042 61.892 62.300 -0.750 0.000 0.851 121 V CB 1.028 31.871 31.823 -1.634 0.000 1.000 121 V HN 0.344 nan 8.190 nan 0.000 0.456 122 T N 1.558 115.887 114.554 -0.375 0.000 2.833 122 T HA -0.112 4.237 4.350 -0.003 0.000 0.269 122 T C 1.768 176.369 174.700 -0.165 0.000 1.054 122 T CA 1.552 63.523 62.100 -0.215 0.000 1.135 122 T CB -0.203 68.573 68.868 -0.154 0.000 0.869 122 T HN 0.737 nan 8.240 nan 0.000 0.466 123 G N -0.489 108.183 108.800 -0.213 0.000 2.777 123 G HA2 0.108 4.067 3.960 -0.003 0.000 0.211 123 G HA3 0.108 4.067 3.960 -0.003 0.000 0.211 123 G C 0.150 175.126 174.900 0.127 0.000 1.149 123 G CA -0.595 44.477 45.100 -0.047 0.000 0.785 123 G HN 0.488 nan 8.290 nan 0.000 0.536 124 W N 2.703 123.942 121.300 -0.103 0.000 1.564 124 W HA 0.344 5.002 4.660 -0.003 0.000 0.480 124 W C 1.232 177.777 176.519 0.043 0.000 0.699 124 W CA -1.377 55.912 57.345 -0.093 0.000 1.985 124 W CB -0.719 28.501 29.460 -0.400 0.000 1.738 124 W HN 0.044 nan 8.180 nan 0.000 0.218 125 V N -0.727 119.321 119.914 0.224 0.000 3.306 125 V HA 0.087 4.205 4.120 -0.003 0.000 0.264 125 V C 0.755 176.928 176.094 0.132 0.000 1.149 125 V CA 0.818 63.213 62.300 0.158 0.000 1.143 125 V CB -0.466 31.413 31.823 0.093 0.000 0.767 125 V HN 0.056 nan 8.190 nan 0.000 0.476 126 K N 0.609 121.068 120.400 0.098 0.000 2.350 126 K HA 0.623 4.941 4.320 -0.003 0.000 0.241 126 K C -2.976 173.594 176.600 -0.050 0.000 0.994 126 K CA -2.253 54.016 56.287 -0.030 0.000 0.839 126 K CB 1.972 34.346 32.500 -0.211 0.000 1.244 126 K HN 0.009 nan 8.250 nan 0.000 0.443 127 P HA 0.303 nan 4.420 nan 0.000 0.282 127 P C -0.893 176.214 177.300 -0.323 0.000 1.249 127 P CA -0.349 62.657 63.100 -0.157 0.000 0.806 127 P CB 0.604 32.343 31.700 0.065 0.000 0.984 128 I N 2.955 123.335 120.570 -0.316 0.000 2.339 128 I HA 0.350 4.519 4.170 -0.003 0.000 0.290 128 I C 0.058 176.088 176.117 -0.144 0.000 0.994 128 I CA -0.462 60.546 61.300 -0.488 0.000 1.191 128 I CB 0.789 38.402 38.000 -0.645 0.000 1.343 128 I HN 0.100 nan 8.210 nan 0.000 0.458 129 I N 7.394 127.975 120.570 0.019 0.000 2.321 129 I HA 0.369 4.537 4.170 -0.003 0.000 0.291 129 I C -0.197 176.054 176.117 0.223 0.000 0.998 129 I CA -0.433 60.957 61.300 0.150 0.000 1.227 129 I CB 1.249 39.378 38.000 0.216 0.000 1.368 129 I HN 0.398 nan 8.210 nan 0.000 0.466 130 I N 5.333 125.996 120.570 0.155 0.000 2.342 130 I HA 0.296 4.464 4.170 -0.003 0.000 0.291 130 I C 0.832 177.021 176.117 0.120 0.000 1.010 130 I CA -0.102 61.255 61.300 0.095 0.000 1.308 130 I CB 1.342 39.257 38.000 -0.143 0.000 1.400 130 I HN 0.629 nan 8.210 nan 0.000 0.488 131 G N 6.274 115.148 108.800 0.123 0.000 2.475 131 G HA2 0.298 4.256 3.960 -0.003 0.000 0.322 131 G HA3 0.298 4.256 3.960 -0.003 0.000 0.322 131 G C -0.214 174.636 174.900 -0.082 0.000 1.044 131 G CA -0.549 44.442 45.100 -0.182 0.000 1.047 131 G HN 0.616 nan 8.290 nan 0.000 0.436 132 R N 2.702 123.052 120.500 -0.250 0.000 2.196 132 R HA 0.141 4.479 4.340 -0.003 0.000 0.340 132 R C -0.133 175.987 176.300 -0.301 0.000 1.043 132 R CA -0.665 55.286 56.100 -0.248 0.000 0.883 132 R CB 0.112 30.242 30.300 -0.283 0.000 1.078 132 R HN 0.731 nan 8.270 nan 0.000 0.462 133 H N 3.362 122.028 119.070 -0.673 0.000 3.157 133 H HA -0.045 4.510 4.556 -0.003 0.000 0.299 133 H C 0.382 175.456 175.328 -0.424 0.000 0.961 133 H CA 0.449 55.980 56.048 -0.862 0.000 1.428 133 H CB 1.032 29.945 29.762 -1.416 0.000 1.459 133 H HN 0.814 nan 8.280 nan 0.000 0.566 134 A N 5.469 128.137 122.820 -0.253 0.000 2.251 134 A HA -0.011 4.308 4.320 -0.003 0.000 0.209 134 A C -0.075 177.349 177.584 -0.267 0.000 1.187 134 A CA 0.020 51.897 52.037 -0.266 0.000 0.823 134 A CB 0.012 18.928 19.000 -0.139 0.000 0.846 134 A HN 0.705 nan 8.150 nan 0.000 0.486 135 Y N -0.447 119.479 120.300 -0.623 0.000 2.429 135 Y HA 0.487 5.035 4.550 -0.003 0.000 0.342 135 Y C 0.735 176.354 175.900 -0.467 0.000 1.004 135 Y CA 0.127 57.961 58.100 -0.443 0.000 1.075 135 Y CB 1.133 39.442 38.460 -0.251 0.000 1.214 135 Y HN 0.692 nan 8.280 nan 0.000 0.455 136 G N 3.874 112.172 108.800 -0.837 0.000 2.584 136 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.229 136 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.229 136 G C -0.376 174.334 174.900 -0.317 0.000 1.320 136 G CA -0.104 44.528 45.100 -0.780 0.000 0.891 136 G HN 1.032 nan 8.290 nan 0.000 0.573 137 D N -2.116 118.165 120.400 -0.199 0.000 3.321 137 D HA -0.216 4.423 4.640 -0.003 0.000 0.178 137 D C 1.728 177.961 176.300 -0.111 0.000 1.208 137 D CA 2.010 55.995 54.000 -0.025 0.000 1.074 137 D CB -1.121 39.727 40.800 0.079 0.000 0.560 137 D HN 0.845 nan 8.370 nan 0.000 0.618 138 Q N -1.082 118.647 119.800 -0.119 0.000 2.368 138 Q HA -0.083 4.255 4.340 -0.003 0.000 0.210 138 Q C 1.749 177.494 176.000 -0.426 0.000 0.982 138 Q CA 1.417 57.031 55.803 -0.315 0.000 0.884 138 Q CB -0.235 28.233 28.738 -0.451 0.000 0.933 138 Q HN 0.551 nan 8.270 nan 0.000 0.460 139 Y N -1.639 118.577 120.300 -0.140 0.000 2.482 139 Y HA 0.185 4.734 4.550 -0.003 0.000 0.270 139 Y C 1.095 176.894 175.900 -0.169 0.000 1.152 139 Y CA 0.088 58.105 58.100 -0.138 0.000 1.292 139 Y CB 0.607 38.976 38.460 -0.152 0.000 1.070 139 Y HN -0.164 nan 8.280 nan 0.000 0.528 140 R N 0.577 120.997 120.500 -0.134 0.000 2.688 140 R HA 0.504 4.843 4.340 -0.003 0.000 0.396 140 R C -0.737 175.533 176.300 -0.051 0.000 1.081 140 R CA -0.295 55.727 56.100 -0.130 0.000 1.093 140 R CB -0.231 29.893 30.300 -0.292 0.000 1.338 140 R HN 0.074 nan 8.270 nan 0.000 0.613 141 A N -0.569 122.222 122.820 -0.047 0.000 2.252 141 A HA 0.696 5.014 4.320 -0.003 0.000 0.305 141 A C -0.535 177.087 177.584 0.064 0.000 1.097 141 A CA -0.327 51.715 52.037 0.009 0.000 0.849 141 A CB 0.845 19.806 19.000 -0.065 0.000 1.142 141 A HN 0.254 nan 8.150 nan 0.000 0.499 142 T N 2.214 116.832 114.554 0.107 0.000 2.842 142 T HA 0.483 4.831 4.350 -0.003 0.000 0.308 142 T C -1.126 173.662 174.700 0.147 0.000 1.041 142 T CA -0.572 61.613 62.100 0.141 0.000 0.964 142 T CB 0.395 69.374 68.868 0.186 0.000 0.972 142 T HN 0.745 nan 8.240 nan 0.000 0.460 143 D N 2.371 122.834 120.400 0.104 0.000 2.340 143 D HA 0.701 5.339 4.640 -0.003 0.000 0.240 143 D C -0.535 175.848 176.300 0.137 0.000 1.001 143 D CA -0.823 53.177 54.000 0.000 0.000 0.888 143 D CB 1.724 42.471 40.800 -0.088 0.000 1.310 143 D HN 0.450 nan 8.370 nan 0.000 0.474 144 F N -2.138 117.799 119.950 -0.022 0.000 2.693 144 F HA 0.506 5.031 4.527 -0.002 0.000 0.309 144 F C -1.265 174.507 175.800 -0.046 0.000 1.129 144 F CA -1.461 56.519 58.000 -0.033 0.000 0.948 144 F CB 0.868 39.850 39.000 -0.031 0.000 1.315 144 F HN 0.112 nan 8.300 nan 0.000 0.447 145 V N 2.416 122.404 119.914 0.123 0.000 2.555 145 V HA 0.292 4.410 4.120 -0.003 0.000 0.286 145 V C -0.030 176.119 176.094 0.091 0.000 1.044 145 V CA -0.658 61.659 62.300 0.030 0.000 1.026 145 V CB 1.162 32.991 31.823 0.010 0.000 0.981 145 V HN 0.657 nan 8.190 nan 0.000 0.480 146 V N 8.625 128.492 119.914 -0.077 0.000 2.353 146 V HA 0.192 4.310 4.120 -0.003 0.000 0.264 146 V C -0.894 175.091 176.094 -0.183 0.000 1.049 146 V CA -0.920 61.263 62.300 -0.194 0.000 0.896 146 V CB 1.293 32.690 31.823 -0.711 0.000 1.025 146 V HN 0.842 nan 8.190 nan 0.000 0.475 147 P HA 0.096 nan 4.420 nan 0.000 0.223 147 P C 0.655 177.912 177.300 -0.072 0.000 1.151 147 P CA 1.096 64.156 63.100 -0.068 0.000 0.787 147 P CB 0.666 32.340 31.700 -0.043 0.000 0.788 148 G N -1.139 107.599 108.800 -0.104 0.000 2.340 148 G HA2 0.326 4.284 3.960 -0.003 0.000 0.299 148 G HA3 0.326 4.284 3.960 -0.003 0.000 0.299 148 G C -3.387 171.485 174.900 -0.048 0.000 1.291 148 G CA -0.888 44.178 45.100 -0.056 0.000 0.841 148 G HN -0.296 nan 8.290 nan 0.000 0.500 149 P HA 0.437 nan 4.420 nan 0.000 0.263 149 P C 0.503 177.838 177.300 0.059 0.000 1.175 149 P CA 1.588 64.734 63.100 0.078 0.000 0.761 149 P CB 0.972 32.709 31.700 0.063 0.000 0.794 150 G N 1.410 110.280 108.800 0.116 0.000 2.320 150 G HA2 0.408 4.366 3.960 -0.003 0.000 0.297 150 G HA3 0.408 4.366 3.960 -0.003 0.000 0.297 150 G C -1.905 173.108 174.900 0.188 0.000 1.344 150 G CA -0.907 44.252 45.100 0.098 0.000 0.851 150 G HN 0.596 nan 8.290 nan 0.000 0.567 151 K N -0.727 119.762 120.400 0.149 0.000 2.221 151 K HA 0.794 5.112 4.320 -0.003 0.000 0.258 151 K C -1.072 175.660 176.600 0.220 0.000 0.944 151 K CA -0.896 55.500 56.287 0.181 0.000 0.823 151 K CB 2.702 35.259 32.500 0.094 0.000 1.113 151 K HN 0.355 nan 8.250 nan 0.000 0.431 152 V N 2.799 122.898 119.914 0.309 0.000 2.398 152 V HA 0.296 4.415 4.120 -0.003 0.000 0.286 152 V C -0.532 175.703 176.094 0.234 0.000 1.026 152 V CA -0.576 61.915 62.300 0.318 0.000 0.868 152 V CB 1.053 33.152 31.823 0.459 0.000 0.982 152 V HN 0.859 nan 8.190 nan 0.000 0.443 153 E N 3.498 123.814 120.200 0.194 0.000 2.288 153 E HA 0.625 4.973 4.350 -0.003 0.000 0.268 153 E C -1.144 175.559 176.600 0.172 0.000 0.885 153 E CA -0.805 55.693 56.400 0.163 0.000 0.767 153 E CB 3.361 33.128 29.700 0.111 0.000 1.220 153 E HN 0.618 nan 8.360 nan 0.000 0.427 154 I N 1.525 122.208 120.570 0.188 0.000 2.474 154 I HA 0.410 4.578 4.170 -0.003 0.000 0.294 154 I C -0.967 175.247 176.117 0.162 0.000 1.005 154 I CA -0.160 61.259 61.300 0.197 0.000 1.113 154 I CB 1.437 39.581 38.000 0.241 0.000 1.289 154 I HN 0.602 nan 8.210 nan 0.000 0.436 155 T N 3.254 117.886 114.554 0.130 0.000 2.876 155 T HA 0.429 4.777 4.350 -0.003 0.000 0.289 155 T C -1.199 173.590 174.700 0.147 0.000 1.014 155 T CA -0.582 61.563 62.100 0.076 0.000 0.986 155 T CB 1.442 70.323 68.868 0.023 0.000 1.021 155 T HN 0.469 nan 8.240 nan 0.000 0.458 156 Y N 1.646 121.934 120.300 -0.020 0.000 2.328 156 Y HA 0.576 5.124 4.550 -0.003 0.000 0.336 156 Y C -0.691 175.197 175.900 -0.020 0.000 0.960 156 Y CA -0.792 57.310 58.100 0.003 0.000 1.134 156 Y CB 1.730 40.210 38.460 0.033 0.000 1.166 156 Y HN 0.848 nan 8.280 nan 0.000 0.464 157 T N 9.199 123.458 114.554 -0.492 0.000 2.874 157 T HA 0.343 4.691 4.350 -0.003 0.000 0.321 157 T C -2.650 171.632 174.700 -0.696 0.000 1.075 157 T CA -1.335 60.486 62.100 -0.466 0.000 0.966 157 T CB 0.654 69.391 68.868 -0.219 0.000 1.001 157 T HN 0.449 nan 8.240 nan 0.000 0.476 158 P HA 0.134 nan 4.420 nan 0.000 0.266 158 P C 0.958 178.115 177.300 -0.239 0.000 1.195 158 P CA -0.368 62.417 63.100 -0.524 0.000 0.768 158 P CB 0.873 32.423 31.700 -0.249 0.000 0.838 159 K N 2.230 122.554 120.400 -0.127 0.000 2.147 159 K HA -0.178 4.140 4.320 -0.003 0.000 0.205 159 K C 0.871 177.440 176.600 -0.051 0.000 1.049 159 K CA 1.652 57.900 56.287 -0.065 0.000 0.936 159 K CB -0.128 32.361 32.500 -0.018 0.000 0.722 159 K HN 0.542 nan 8.250 nan 0.000 0.446 160 D N -1.243 119.131 120.400 -0.042 0.000 2.319 160 D HA 0.032 4.670 4.640 -0.003 0.000 0.230 160 D C 0.962 177.241 176.300 -0.035 0.000 1.094 160 D CA 0.737 54.722 54.000 -0.026 0.000 0.856 160 D CB 0.102 40.897 40.800 -0.007 0.000 0.915 160 D HN 0.365 nan 8.370 nan 0.000 0.517 161 G N 0.260 109.027 108.800 -0.056 0.000 2.184 161 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.264 161 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.264 161 G C 0.614 175.483 174.900 -0.051 0.000 0.975 161 G CA 0.795 45.862 45.100 -0.054 0.000 0.642 161 G HN 0.802 nan 8.290 nan 0.000 0.536 162 T N -1.938 112.587 114.554 -0.048 0.000 2.726 162 T HA 0.504 4.852 4.350 -0.003 0.000 0.294 162 T C 0.510 175.179 174.700 -0.052 0.000 1.013 162 T CA 0.522 62.601 62.100 -0.035 0.000 0.996 162 T CB 0.981 69.842 68.868 -0.011 0.000 1.016 162 T HN 0.585 nan 8.240 nan 0.000 0.529 163 Q N 1.034 120.815 119.800 -0.031 0.000 2.320 163 Q HA 0.053 4.391 4.340 -0.003 0.000 0.311 163 Q C 0.136 176.101 176.000 -0.059 0.000 1.083 163 Q CA 0.551 56.333 55.803 -0.036 0.000 1.001 163 Q CB 0.117 28.846 28.738 -0.015 0.000 1.074 163 Q HN 0.660 nan 8.270 nan 0.000 0.379 164 K N 2.422 122.773 120.400 -0.081 0.000 2.485 164 K HA 0.157 4.475 4.320 -0.003 0.000 0.277 164 K C -1.126 175.426 176.600 -0.079 0.000 0.990 164 K CA -0.166 56.061 56.287 -0.101 0.000 0.994 164 K CB 0.459 32.905 32.500 -0.090 0.000 0.906 164 K HN 0.485 nan 8.250 nan 0.000 0.488 165 V N 3.437 123.302 119.914 -0.082 0.000 2.540 165 V HA 0.283 4.401 4.120 -0.003 0.000 0.302 165 V C -0.574 175.352 176.094 -0.280 0.000 1.035 165 V CA -0.755 61.441 62.300 -0.174 0.000 0.873 165 V CB 1.982 33.714 31.823 -0.151 0.000 0.992 165 V HN 0.863 nan 8.190 nan 0.000 0.428 166 T N 4.590 118.936 114.554 -0.347 0.000 2.812 166 T HA 0.644 4.992 4.350 -0.003 0.000 0.282 166 T C -1.066 173.450 174.700 -0.306 0.000 0.990 166 T CA -0.303 61.648 62.100 -0.249 0.000 0.960 166 T CB 0.798 69.613 68.868 -0.089 0.000 0.948 166 T HN 0.448 nan 8.240 nan 0.000 0.438 167 Y N 1.733 122.081 120.300 0.079 0.000 2.409 167 Y HA 0.584 5.133 4.550 -0.003 0.000 0.339 167 Y C 0.343 176.287 175.900 0.073 0.000 1.033 167 Y CA -1.537 56.606 58.100 0.072 0.000 1.094 167 Y CB 1.674 40.180 38.460 0.077 0.000 1.210 167 Y HN 0.472 nan 8.280 nan 0.000 0.456 168 M N 2.607 122.345 119.600 0.230 0.000 2.188 168 M HA 0.196 4.674 4.480 -0.003 0.000 0.354 168 M C -0.573 175.821 176.300 0.157 0.000 1.342 168 M CA 0.211 55.604 55.300 0.155 0.000 1.117 168 M CB 0.724 33.386 32.600 0.103 0.000 1.670 168 M HN 0.650 nan 8.290 nan 0.000 0.466 169 V N 3.109 123.120 119.914 0.162 0.000 2.403 169 V HA 0.111 4.229 4.120 -0.003 0.000 0.239 169 V C 0.185 176.377 176.094 0.163 0.000 1.041 169 V CA 0.980 63.372 62.300 0.152 0.000 1.051 169 V CB -0.490 31.440 31.823 0.178 0.000 0.704 169 V HN 0.896 nan 8.190 nan 0.000 0.472 170 H N -0.693 118.395 119.070 0.029 0.000 3.086 170 H HA 0.425 4.979 4.556 -0.003 0.000 0.353 170 H C -1.735 173.576 175.328 -0.028 0.000 1.134 170 H CA -1.097 54.884 56.048 -0.111 0.000 1.248 170 H CB 1.410 30.938 29.762 -0.389 0.000 1.878 170 H HN 0.158 nan 8.280 nan 0.000 0.527 171 D N 4.021 124.065 120.400 -0.593 0.000 2.396 171 D HA 0.144 4.782 4.640 -0.003 0.000 0.225 171 D C -0.775 175.104 176.300 -0.702 0.000 1.121 171 D CA -0.289 53.474 54.000 -0.394 0.000 0.853 171 D CB -0.106 40.562 40.800 -0.221 0.000 1.043 171 D HN 0.244 nan 8.370 nan 0.000 0.500 172 F N 2.683 122.456 119.950 -0.296 0.000 2.438 172 F HA 0.190 4.716 4.527 -0.002 0.000 0.360 172 F C 1.796 177.558 175.800 -0.064 0.000 1.118 172 F CA -0.144 57.796 58.000 -0.099 0.000 1.164 172 F CB 1.016 40.052 39.000 0.060 0.000 1.131 172 F HN 0.420 nan 8.300 nan 0.000 0.527 173 E N 1.526 121.765 120.200 0.065 0.000 2.216 173 E HA 0.017 4.365 4.350 -0.003 0.000 0.192 173 E C -0.002 176.643 176.600 0.076 0.000 0.973 173 E CA 0.545 56.973 56.400 0.047 0.000 0.851 173 E CB 0.406 30.106 29.700 -0.000 0.000 0.804 173 E HN 0.585 nan 8.360 nan 0.000 0.477 174 E N -0.317 119.948 120.200 0.108 0.000 2.256 174 E HA 0.420 4.768 4.350 -0.003 0.000 0.268 174 E C -0.376 176.301 176.600 0.129 0.000 0.877 174 E CA -0.245 56.212 56.400 0.094 0.000 0.757 174 E CB 1.976 31.716 29.700 0.066 0.000 1.183 174 E HN 0.210 nan 8.360 nan 0.000 0.418 175 G N 1.686 110.544 108.800 0.096 0.000 2.752 175 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.234 175 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.234 175 G C 0.288 175.254 174.900 0.110 0.000 1.367 175 G CA -0.464 44.687 45.100 0.085 0.000 0.879 175 G HN 0.780 nan 8.290 nan 0.000 0.563 176 G N -2.286 106.544 108.800 0.051 0.000 3.008 176 G HA2 1.086 5.045 3.960 -0.003 0.000 0.181 176 G HA3 1.086 5.045 3.960 -0.003 0.000 0.181 176 G C 0.562 175.465 174.900 0.006 0.000 1.309 176 G CA 0.768 45.822 45.100 -0.077 0.000 1.009 176 G HN 2.349 nan 8.290 nan 0.000 0.584 177 G N -2.211 106.511 108.800 -0.130 0.000 2.593 177 G HA2 0.569 4.528 3.960 -0.003 0.000 0.103 177 G HA3 0.569 4.528 3.960 -0.003 0.000 0.103 177 G C -1.187 173.668 174.900 -0.075 0.000 1.103 177 G CA 0.784 45.900 45.100 0.026 0.000 1.109 177 G HN 1.870 nan 8.290 nan 0.000 0.516 178 V N -2.690 117.211 119.914 -0.023 0.000 3.147 178 V HA 1.017 5.135 4.120 -0.003 0.000 0.306 178 V C -0.230 175.761 176.094 -0.172 0.000 1.209 178 V CA -0.196 62.020 62.300 -0.140 0.000 1.023 178 V CB 1.076 32.827 31.823 -0.120 0.000 1.059 178 V HN 2.546 nan 8.190 nan 0.000 0.435 179 A N 3.996 126.514 122.820 -0.504 0.000 2.606 179 A HA 1.035 5.353 4.320 -0.003 0.000 0.293 179 A C -0.849 176.291 177.584 -0.739 0.000 1.082 179 A CA -0.290 51.416 52.037 -0.552 0.000 0.685 179 A CB 2.281 20.976 19.000 -0.509 0.000 1.284 179 A HN 2.259 nan 8.150 nan 0.000 0.408 180 M N 0.396 119.773 119.600 -0.371 0.000 2.534 180 M HA 0.753 5.231 4.480 -0.003 0.000 0.280 180 M C -0.392 175.893 176.300 -0.026 0.000 1.217 180 M CA -0.378 54.802 55.300 -0.200 0.000 0.893 180 M CB 1.899 34.400 32.600 -0.164 0.000 1.730 180 M HN 1.172 nan 8.290 nan 0.000 0.483 181 G N 3.084 111.934 108.800 0.084 0.000 2.416 181 G HA2 0.812 4.770 3.960 -0.003 0.000 0.329 181 G HA3 0.812 4.770 3.960 -0.003 0.000 0.329 181 G C -0.927 174.062 174.900 0.148 0.000 1.173 181 G CA -0.913 44.273 45.100 0.142 0.000 0.929 181 G HN 1.063 nan 8.290 nan 0.000 0.475 182 M N 1.100 120.808 119.600 0.179 0.000 2.664 182 M HA 0.863 5.342 4.480 -0.003 0.000 0.279 182 M C -1.657 174.898 176.300 0.424 0.000 1.275 182 M CA -1.163 54.259 55.300 0.204 0.000 0.829 182 M CB 2.567 35.175 32.600 0.014 0.000 1.727 182 M HN 0.735 nan 8.290 nan 0.000 0.459 183 Y N -1.930 118.544 120.300 0.290 0.000 2.670 183 Y HA 0.783 5.331 4.550 -0.003 0.000 0.334 183 Y C -1.899 174.135 175.900 0.223 0.000 1.185 183 Y CA -0.941 57.321 58.100 0.270 0.000 1.053 183 Y CB 1.434 39.989 38.460 0.159 0.000 1.298 183 Y HN 0.893 nan 8.280 nan 0.000 0.459 184 N N 0.301 119.111 118.700 0.182 0.000 2.647 184 N HA 0.334 5.073 4.740 -0.003 0.000 0.266 184 N C -1.991 173.688 175.510 0.282 0.000 1.373 184 N CA -0.646 52.546 53.050 0.236 0.000 0.807 184 N CB 2.975 41.604 38.487 0.236 0.000 1.513 184 N HN 0.862 nan 8.380 nan 0.000 0.505 185 Q N 0.538 120.530 119.800 0.320 0.000 2.337 185 Q HA 0.270 4.608 4.340 -0.003 0.000 0.266 185 Q C -0.131 175.879 176.000 0.017 0.000 1.023 185 Q CA -0.718 55.180 55.803 0.159 0.000 0.829 185 Q CB 1.767 30.591 28.738 0.143 0.000 1.306 185 Q HN 0.489 nan 8.270 nan 0.000 0.449 186 D N 1.641 122.026 120.400 -0.025 0.000 2.126 186 D HA -0.212 4.426 4.640 -0.003 0.000 0.190 186 D C 1.470 177.743 176.300 -0.045 0.000 1.001 186 D CA 1.576 55.540 54.000 -0.060 0.000 0.841 186 D CB 0.289 41.064 40.800 -0.041 0.000 0.949 186 D HN 0.314 nan 8.370 nan 0.000 0.446 187 K N 0.571 120.954 120.400 -0.028 0.000 2.103 187 K HA -0.069 4.249 4.320 -0.003 0.000 0.207 187 K C 2.059 178.646 176.600 -0.021 0.000 1.048 187 K CA 1.180 57.454 56.287 -0.021 0.000 0.930 187 K CB -0.568 31.915 32.500 -0.028 0.000 0.716 187 K HN -0.040 nan 8.250 nan 0.000 0.444 188 S N -0.333 115.340 115.700 -0.044 0.000 2.383 188 S HA -0.018 4.450 4.470 -0.003 0.000 0.227 188 S C 1.814 176.442 174.600 0.046 0.000 1.026 188 S CA 1.186 59.394 58.200 0.014 0.000 0.981 188 S CB -0.258 62.925 63.200 -0.028 0.000 0.818 188 S HN 0.366 nan 8.310 nan 0.000 0.472 189 I N 1.034 121.579 120.570 -0.042 0.000 2.315 189 I HA -0.129 4.040 4.170 -0.003 0.000 0.248 189 I C 2.490 178.573 176.117 -0.056 0.000 1.117 189 I CA 1.225 62.452 61.300 -0.122 0.000 1.404 189 I CB -0.407 37.382 38.000 -0.353 0.000 1.071 189 I HN 0.350 nan 8.210 nan 0.000 0.419 190 E N 0.985 121.149 120.200 -0.059 0.000 2.051 190 E HA -0.229 4.119 4.350 -0.003 0.000 0.192 190 E C 1.758 178.376 176.600 0.030 0.000 0.991 190 E CA 1.494 57.860 56.400 -0.057 0.000 0.799 190 E CB -0.057 29.660 29.700 0.028 0.000 0.748 190 E HN 0.423 nan 8.360 nan 0.000 0.449 191 D N 0.283 120.745 120.400 0.103 0.000 2.117 191 D HA -0.168 4.470 4.640 -0.003 0.000 0.197 191 D C 1.670 178.053 176.300 0.139 0.000 0.987 191 D CA 0.675 54.767 54.000 0.154 0.000 0.829 191 D CB -0.373 40.495 40.800 0.113 0.000 0.961 191 D HN 0.074 nan 8.370 nan 0.000 0.460 192 F N 2.049 121.936 119.950 -0.104 0.000 2.065 192 F HA -0.245 4.281 4.527 -0.003 0.000 0.298 192 F C 2.190 177.854 175.800 -0.228 0.000 1.112 192 F CA 1.542 59.456 58.000 -0.143 0.000 1.212 192 F CB -0.783 38.001 39.000 -0.359 0.000 0.975 192 F HN -0.043 nan 8.300 nan 0.000 0.476 193 A N -0.457 121.936 122.820 -0.713 0.000 1.858 193 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 193 A C 2.052 179.224 177.584 -0.686 0.000 1.190 193 A CA 1.978 53.139 52.037 -1.460 0.000 0.617 193 A CB -1.512 16.663 19.000 -1.373 0.000 0.827 193 A HN 0.638 nan 8.150 nan 0.000 0.443 194 H N 0.150 119.119 119.070 -0.169 0.000 2.319 194 H HA -0.134 4.421 4.556 -0.003 0.000 0.299 194 H C 2.733 178.047 175.328 -0.023 0.000 1.092 194 H CA 2.303 58.379 56.048 0.045 0.000 1.302 194 H CB -0.018 29.828 29.762 0.140 0.000 1.373 194 H HN 0.676 nan 8.280 nan 0.000 0.497 195 S N -0.467 115.311 115.700 0.130 0.000 2.419 195 S HA -0.145 4.323 4.470 -0.003 0.000 0.233 195 S C 2.156 176.883 174.600 0.211 0.000 1.016 195 S CA 1.301 59.629 58.200 0.212 0.000 0.974 195 S CB -0.182 63.210 63.200 0.319 0.000 0.786 195 S HN 0.253 nan 8.310 nan 0.000 0.492 196 S N 1.339 117.018 115.700 -0.036 0.000 2.345 196 S HA 0.150 4.618 4.470 -0.003 0.000 0.219 196 S C 1.413 175.912 174.600 -0.168 0.000 1.031 196 S CA 1.180 59.325 58.200 -0.092 0.000 0.984 196 S CB -0.612 62.375 63.200 -0.355 0.000 0.874 196 S HN 0.593 nan 8.310 nan 0.000 0.451 197 F N 2.210 122.013 119.950 -0.244 0.000 2.134 197 F HA -0.115 4.410 4.527 -0.003 0.000 0.299 197 F C 2.669 178.370 175.800 -0.165 0.000 1.097 197 F CA 0.992 58.835 58.000 -0.263 0.000 1.264 197 F CB -0.925 37.464 39.000 -1.020 0.000 1.001 197 F HN 0.198 nan 8.300 nan 0.000 0.479 198 Q N -0.757 119.006 119.800 -0.062 0.000 2.096 198 Q HA -0.272 4.066 4.340 -0.003 0.000 0.204 198 Q C 2.243 178.240 176.000 -0.004 0.000 0.982 198 Q CA 1.941 57.770 55.803 0.043 0.000 0.850 198 Q CB -0.390 28.404 28.738 0.094 0.000 0.901 198 Q HN 0.358 nan 8.270 nan 0.000 0.422 199 M N 0.521 120.101 119.600 -0.034 0.000 2.117 199 M HA -0.101 4.378 4.480 -0.003 0.000 0.262 199 M C 1.982 178.220 176.300 -0.103 0.000 1.065 199 M CA 1.847 57.058 55.300 -0.149 0.000 1.114 199 M CB -0.506 31.954 32.600 -0.232 0.000 1.361 199 M HN 0.162 nan 8.290 nan 0.000 0.408 200 A N 0.015 122.847 122.820 0.020 0.000 1.908 200 A HA -0.162 4.157 4.320 -0.003 0.000 0.218 200 A C 2.211 179.700 177.584 -0.158 0.000 1.181 200 A CA 2.015 54.062 52.037 0.017 0.000 0.627 200 A CB -1.193 17.926 19.000 0.198 0.000 0.818 200 A HN 0.587 nan 8.150 nan 0.000 0.445 201 L N 0.171 121.310 121.223 -0.140 0.000 2.093 201 L HA -0.153 4.185 4.340 -0.003 0.000 0.208 201 L C 3.023 179.811 176.870 -0.137 0.000 1.085 201 L CA 1.532 56.277 54.840 -0.158 0.000 0.755 201 L CB -0.410 41.647 42.059 -0.005 0.000 0.904 201 L HN 0.627 nan 8.230 nan 0.000 0.435 202 S N -0.853 114.765 115.700 -0.136 0.000 2.406 202 S HA -0.101 4.367 4.470 -0.003 0.000 0.228 202 S C 1.927 176.370 174.600 -0.262 0.000 1.020 202 S CA 0.568 58.669 58.200 -0.165 0.000 0.965 202 S CB -0.083 63.022 63.200 -0.158 0.000 0.798 202 S HN 0.264 nan 8.310 nan 0.000 0.488 203 K N 0.794 120.971 120.400 -0.373 0.000 2.314 203 K HA 0.222 4.541 4.320 -0.003 0.000 0.198 203 K C 1.388 177.603 176.600 -0.642 0.000 1.045 203 K CA 0.708 56.592 56.287 -0.673 0.000 0.988 203 K CB -0.609 31.268 32.500 -1.040 0.000 0.783 203 K HN 0.607 nan 8.250 nan 0.000 0.484 204 G N 1.727 110.331 108.800 -0.328 0.000 2.225 204 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.264 204 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.264 204 G C -0.682 174.304 174.900 0.144 0.000 1.060 204 G CA 0.052 45.078 45.100 -0.124 0.000 0.833 204 G HN 0.057 nan 8.290 nan 0.000 0.498 205 W N -0.356 120.908 121.300 -0.060 0.000 2.781 205 W HA 0.594 5.253 4.660 -0.003 0.000 0.345 205 W C -1.921 174.606 176.519 0.013 0.000 1.085 205 W CA -3.089 54.263 57.345 0.013 0.000 1.198 205 W CB 0.727 30.227 29.460 0.067 0.000 1.423 205 W HN 0.007 nan 8.180 nan 0.000 0.532 206 P HA 0.145 nan 4.420 nan 0.000 0.270 206 P C -0.856 176.544 177.300 0.168 0.000 1.223 206 P CA -0.124 63.075 63.100 0.165 0.000 0.785 206 P CB 1.242 32.959 31.700 0.028 0.000 0.923 207 L N 2.703 123.984 121.223 0.095 0.000 2.346 207 L HA 0.520 4.859 4.340 -0.003 0.000 0.276 207 L C -1.461 175.252 176.870 -0.262 0.000 1.006 207 L CA -0.745 54.183 54.840 0.147 0.000 0.817 207 L CB 1.067 43.374 42.059 0.413 0.000 1.272 207 L HN 0.193 nan 8.230 nan 0.000 0.421 208 Y N 5.027 125.452 120.300 0.208 0.000 2.391 208 Y HA 0.620 5.168 4.550 -0.003 0.000 0.341 208 Y C -0.689 175.289 175.900 0.131 0.000 0.965 208 Y CA -0.773 57.328 58.100 0.002 0.000 1.067 208 Y CB 1.980 40.300 38.460 -0.234 0.000 1.199 208 Y HN 0.559 nan 8.280 nan 0.000 0.450 209 L N 3.877 125.198 121.223 0.164 0.000 2.307 209 L HA 0.747 5.085 4.340 -0.003 0.000 0.284 209 L C -0.306 176.525 176.870 -0.065 0.000 1.023 209 L CA -0.317 54.545 54.840 0.037 0.000 0.810 209 L CB 1.262 43.178 42.059 -0.238 0.000 1.231 209 L HN 0.613 nan 8.230 nan 0.000 0.423 210 S N 2.424 118.162 115.700 0.064 0.000 2.475 210 S HA 0.928 5.396 4.470 -0.003 0.000 0.298 210 S C -0.107 174.482 174.600 -0.019 0.000 1.119 210 S CA -0.015 58.170 58.200 -0.025 0.000 1.085 210 S CB 1.431 64.780 63.200 0.250 0.000 1.028 210 S HN 0.938 nan 8.310 nan 0.000 0.489 211 T N -1.087 113.447 114.554 -0.033 0.000 2.754 211 T HA 0.643 4.991 4.350 -0.003 0.000 0.296 211 T C -0.876 173.877 174.700 0.089 0.000 1.205 211 T CA -0.888 61.265 62.100 0.089 0.000 1.009 211 T CB 1.514 70.535 68.868 0.254 0.000 1.368 211 T HN 0.455 nan 8.240 nan 0.000 0.509 212 K N 1.436 121.880 120.400 0.075 0.000 3.174 212 K HA 0.301 4.620 4.320 -0.003 0.000 0.207 212 K C 1.369 178.017 176.600 0.079 0.000 1.190 212 K CA -0.465 55.858 56.287 0.061 0.000 1.054 212 K CB -0.595 31.911 32.500 0.011 0.000 1.154 212 K HN 0.604 nan 8.250 nan 0.000 0.495 213 N N -0.458 118.321 118.700 0.131 0.000 2.520 213 N HA -0.154 4.585 4.740 -0.003 0.000 0.185 213 N C 0.739 176.286 175.510 0.062 0.000 1.068 213 N CA 1.571 54.682 53.050 0.102 0.000 0.911 213 N CB -0.007 38.526 38.487 0.077 0.000 0.961 213 N HN 0.327 nan 8.380 nan 0.000 0.446 214 T N -1.640 112.949 114.554 0.057 0.000 2.985 214 T HA 0.093 4.441 4.350 -0.003 0.000 0.266 214 T C 1.891 176.603 174.700 0.020 0.000 1.076 214 T CA 0.324 62.444 62.100 0.033 0.000 1.135 214 T CB 0.064 68.950 68.868 0.029 0.000 0.890 214 T HN 0.022 nan 8.240 nan 0.000 0.480 215 I N 0.800 121.381 120.570 0.018 0.000 2.685 215 I HA 0.309 4.478 4.170 -0.003 0.000 0.251 215 I C 1.147 177.264 176.117 0.001 0.000 1.102 215 I CA 0.401 61.700 61.300 -0.001 0.000 1.442 215 I CB -0.764 37.225 38.000 -0.018 0.000 1.194 215 I HN 0.249 nan 8.210 nan 0.000 0.448 216 L N 2.011 123.245 121.223 0.018 0.000 2.449 216 L HA 0.217 4.555 4.340 -0.003 0.000 0.255 216 L C 1.363 178.289 176.870 0.092 0.000 1.167 216 L CA -0.140 54.726 54.840 0.043 0.000 1.090 216 L CB 0.138 42.214 42.059 0.028 0.000 1.385 216 L HN 0.109 nan 8.230 nan 0.000 0.411 217 K N 0.379 120.815 120.400 0.061 0.000 2.097 217 K HA -0.107 4.211 4.320 -0.003 0.000 0.206 217 K C 1.615 178.263 176.600 0.081 0.000 1.049 217 K CA 1.049 57.371 56.287 0.058 0.000 0.933 217 K CB 0.175 32.692 32.500 0.028 0.000 0.717 217 K HN 0.360 nan 8.250 nan 0.000 0.442 218 K N -0.109 120.347 120.400 0.094 0.000 2.099 218 K HA -0.052 4.267 4.320 -0.003 0.000 0.203 218 K C 2.112 178.815 176.600 0.171 0.000 1.047 218 K CA 1.021 57.366 56.287 0.097 0.000 0.963 218 K CB -0.543 31.992 32.500 0.060 0.000 0.759 218 K HN 0.113 nan 8.250 nan 0.000 0.451 219 Y N 2.841 123.199 120.300 0.097 0.000 2.109 219 Y HA -0.201 4.347 4.550 -0.002 0.000 0.285 219 Y C 1.742 177.822 175.900 0.301 0.000 1.131 219 Y CA 1.888 60.094 58.100 0.177 0.000 1.121 219 Y CB -0.168 38.377 38.460 0.142 0.000 0.987 219 Y HN 0.071 nan 8.280 nan 0.000 0.495 220 D N -0.946 119.754 120.400 0.501 0.000 2.183 220 D HA -0.047 4.591 4.640 -0.003 0.000 0.203 220 D C 2.304 178.802 176.300 0.331 0.000 0.969 220 D CA 1.215 55.464 54.000 0.415 0.000 0.842 220 D CB -0.764 40.169 40.800 0.220 0.000 0.957 220 D HN 0.500 nan 8.370 nan 0.000 0.484 221 G N 0.496 109.427 108.800 0.217 0.000 2.432 221 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.219 221 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.219 221 G C 1.781 176.766 174.900 0.142 0.000 1.135 221 G CA 0.647 45.824 45.100 0.129 0.000 0.767 221 G HN 0.182 nan 8.290 nan 0.000 0.550 222 R N -0.372 120.227 120.500 0.164 0.000 2.081 222 R HA 0.032 4.370 4.340 -0.003 0.000 0.235 222 R C 2.203 178.568 176.300 0.109 0.000 1.131 222 R CA 1.164 57.313 56.100 0.081 0.000 0.960 222 R CB -0.597 29.691 30.300 -0.021 0.000 0.856 222 R HN 0.356 nan 8.270 nan 0.000 0.436 223 F N 0.900 120.938 119.950 0.146 0.000 2.069 223 F HA -0.193 4.333 4.527 -0.003 0.000 0.298 223 F C 2.408 178.334 175.800 0.210 0.000 1.113 223 F CA 1.955 60.088 58.000 0.222 0.000 1.214 223 F CB -0.426 38.706 39.000 0.219 0.000 0.978 223 F HN 0.047 nan 8.300 nan 0.000 0.474 224 K N 0.279 120.865 120.400 0.311 0.000 2.032 224 K HA -0.219 4.100 4.320 -0.003 0.000 0.209 224 K C 1.744 178.457 176.600 0.188 0.000 1.048 224 K CA 2.087 58.468 56.287 0.156 0.000 0.927 224 K CB -0.272 32.161 32.500 -0.111 0.000 0.712 224 K HN 0.125 nan 8.250 nan 0.000 0.441 225 D N 0.684 121.168 120.400 0.140 0.000 2.097 225 D HA -0.153 4.485 4.640 -0.003 0.000 0.195 225 D C 1.969 178.348 176.300 0.131 0.000 0.989 225 D CA 1.158 55.225 54.000 0.112 0.000 0.827 225 D CB -0.201 40.639 40.800 0.067 0.000 0.966 225 D HN 0.281 nan 8.370 nan 0.000 0.456 226 I N 0.025 120.678 120.570 0.138 0.000 2.163 226 I HA -0.282 3.887 4.170 -0.003 0.000 0.243 226 I C 2.164 178.357 176.117 0.126 0.000 1.085 226 I CA 0.819 62.175 61.300 0.093 0.000 1.347 226 I CB -0.208 37.812 38.000 0.033 0.000 1.044 226 I HN -0.105 nan 8.210 nan 0.000 0.408 227 F N 0.878 120.857 119.950 0.048 0.000 2.095 227 F HA -0.307 4.219 4.527 -0.002 0.000 0.298 227 F C 2.759 178.640 175.800 0.135 0.000 1.104 227 F CA 1.948 59.996 58.000 0.081 0.000 1.232 227 F CB -0.665 38.350 39.000 0.025 0.000 0.987 227 F HN 0.078 nan 8.300 nan 0.000 0.475 228 Q N 0.651 120.663 119.800 0.353 0.000 2.050 228 Q HA -0.200 4.138 4.340 -0.003 0.000 0.202 228 Q C 1.980 178.072 176.000 0.152 0.000 0.980 228 Q CA 2.006 57.979 55.803 0.284 0.000 0.840 228 Q CB -0.355 28.525 28.738 0.237 0.000 0.898 228 Q HN 0.488 nan 8.270 nan 0.000 0.424 229 E N -0.402 119.850 120.200 0.086 0.000 2.051 229 E HA -0.160 4.189 4.350 -0.003 0.000 0.192 229 E C 2.027 178.593 176.600 -0.057 0.000 0.991 229 E CA 1.396 57.804 56.400 0.015 0.000 0.799 229 E CB -0.191 29.514 29.700 0.009 0.000 0.748 229 E HN 0.416 nan 8.360 nan 0.000 0.449 230 I N 0.188 120.699 120.570 -0.098 0.000 2.286 230 I HA -0.268 3.901 4.170 -0.003 0.000 0.248 230 I C 2.317 178.221 176.117 -0.355 0.000 1.115 230 I CA 0.915 62.087 61.300 -0.213 0.000 1.392 230 I CB -0.217 37.603 38.000 -0.301 0.000 1.065 230 I HN 0.159 nan 8.210 nan 0.000 0.418 231 Y N 2.051 121.971 120.300 -0.634 0.000 2.114 231 Y HA -0.287 4.262 4.550 -0.003 0.000 0.284 231 Y C 2.039 177.708 175.900 -0.385 0.000 1.143 231 Y CA 1.712 59.319 58.100 -0.822 0.000 1.135 231 Y CB -0.350 37.723 38.460 -0.644 0.000 0.980 231 Y HN 0.152 nan 8.280 nan 0.000 0.499 232 D N -0.218 120.070 120.400 -0.187 0.000 2.392 232 D HA -0.080 4.558 4.640 -0.003 0.000 0.228 232 D C 1.418 177.592 176.300 -0.209 0.000 1.003 232 D CA 1.088 54.980 54.000 -0.180 0.000 0.917 232 D CB 0.014 40.797 40.800 -0.029 0.000 0.890 232 D HN 0.486 nan 8.370 nan 0.000 0.532 233 K N -1.204 119.047 120.400 -0.247 0.000 2.548 233 K HA 0.155 4.473 4.320 -0.003 0.000 0.209 233 K C 1.634 178.070 176.600 -0.272 0.000 1.420 233 K CA -0.060 56.103 56.287 -0.207 0.000 0.985 233 K CB 1.217 33.632 32.500 -0.142 0.000 1.249 233 K HN -0.173 nan 8.250 nan 0.000 0.557 234 K N -0.647 119.513 120.400 -0.399 0.000 2.436 234 K HA 0.148 4.466 4.320 -0.003 0.000 0.198 234 K C 0.455 176.604 176.600 -0.752 0.000 1.174 234 K CA 0.346 56.266 56.287 -0.613 0.000 0.951 234 K CB 0.697 32.717 32.500 -0.802 0.000 1.040 234 K HN -0.019 nan 8.250 nan 0.000 0.536 235 Y N -0.130 119.928 120.300 -0.403 0.000 2.425 235 Y HA 0.244 4.792 4.550 -0.003 0.000 0.261 235 Y C 1.652 177.288 175.900 -0.440 0.000 1.084 235 Y CA -0.295 57.597 58.100 -0.348 0.000 1.248 235 Y CB 0.487 38.663 38.460 -0.473 0.000 1.270 235 Y HN -0.144 nan 8.280 nan 0.000 0.524 236 K N 1.071 121.032 120.400 -0.731 0.000 2.002 236 K HA -0.184 4.135 4.320 -0.003 0.000 0.209 236 K C 2.165 178.642 176.600 -0.205 0.000 1.048 236 K CA 1.997 57.757 56.287 -0.878 0.000 0.930 236 K CB -0.105 31.846 32.500 -0.916 0.000 0.714 236 K HN 0.342 nan 8.250 nan 0.000 0.438 237 S N 0.936 116.545 115.700 -0.152 0.000 2.374 237 S HA -0.265 4.203 4.470 -0.003 0.000 0.227 237 S C 1.982 176.608 174.600 0.044 0.000 1.037 237 S CA 1.531 59.706 58.200 -0.042 0.000 1.024 237 S CB -0.621 62.539 63.200 -0.065 0.000 0.861 237 S HN 0.448 nan 8.310 nan 0.000 0.456 238 Q N -0.151 119.701 119.800 0.087 0.000 2.119 238 Q HA -0.003 4.336 4.340 -0.003 0.000 0.201 238 Q C 1.912 178.032 176.000 0.200 0.000 0.972 238 Q CA 1.302 57.191 55.803 0.143 0.000 0.847 238 Q CB -0.371 28.483 28.738 0.194 0.000 0.903 238 Q HN 0.556 nan 8.270 nan 0.000 0.433 239 F N 1.558 121.560 119.950 0.087 0.000 2.102 239 F HA -0.168 4.357 4.527 -0.003 0.000 0.298 239 F C 2.159 178.034 175.800 0.126 0.000 1.105 239 F CA 1.460 59.557 58.000 0.163 0.000 1.239 239 F CB -0.193 38.995 39.000 0.312 0.000 0.991 239 F HN 0.062 nan 8.300 nan 0.000 0.474 240 E N -0.238 120.126 120.200 0.273 0.000 2.085 240 E HA -0.217 4.131 4.350 -0.003 0.000 0.194 240 E C 2.345 179.009 176.600 0.106 0.000 0.994 240 E CA 1.112 57.613 56.400 0.167 0.000 0.801 240 E CB -0.389 29.381 29.700 0.116 0.000 0.743 240 E HN 0.364 nan 8.360 nan 0.000 0.453 241 A N 0.823 123.694 122.820 0.085 0.000 1.978 241 A HA -0.240 4.078 4.320 -0.003 0.000 0.220 241 A C 1.877 179.486 177.584 0.040 0.000 1.170 241 A CA 1.422 53.491 52.037 0.052 0.000 0.636 241 A CB -0.265 18.759 19.000 0.041 0.000 0.810 241 A HN 0.190 nan 8.150 nan 0.000 0.448 242 Q N -1.168 118.652 119.800 0.033 0.000 2.280 242 Q HA 0.075 4.414 4.340 -0.003 0.000 0.201 242 Q C -0.414 175.603 176.000 0.028 0.000 0.890 242 Q CA -0.212 55.595 55.803 0.006 0.000 0.947 242 Q CB 0.320 29.026 28.738 -0.053 0.000 1.081 242 Q HN 0.608 nan 8.270 nan 0.000 0.502 243 N N 0.793 119.529 118.700 0.060 0.000 2.725 243 N HA -0.186 4.553 4.740 -0.003 0.000 0.249 243 N C -0.654 174.912 175.510 0.095 0.000 1.103 243 N CA 1.232 54.330 53.050 0.080 0.000 0.707 243 N CB -1.532 36.995 38.487 0.066 0.000 1.043 243 N HN 0.515 nan 8.380 nan 0.000 0.553 244 I N -3.369 117.261 120.570 0.101 0.000 3.133 244 I HA 0.823 4.992 4.170 -0.003 0.000 0.311 244 I C 0.632 176.958 176.117 0.349 0.000 1.072 244 I CA -1.013 60.362 61.300 0.125 0.000 1.015 244 I CB 2.262 40.229 38.000 -0.055 0.000 1.233 244 I HN 0.135 nan 8.210 nan 0.000 0.473 245 C N 0.889 120.444 119.300 0.424 0.000 3.171 245 C HA 0.729 5.188 4.460 -0.003 0.000 0.308 245 C C -1.008 174.213 174.990 0.385 0.000 1.334 245 C CA -0.832 58.469 59.018 0.471 0.000 1.473 245 C CB 1.133 28.984 27.740 0.185 0.000 1.866 245 C HN 0.918 nan 8.230 nan 0.000 0.465 246 Y N 0.782 121.006 120.300 -0.128 0.000 2.409 246 Y HA 0.753 5.302 4.550 -0.003 0.000 0.343 246 Y C -0.395 175.291 175.900 -0.356 0.000 0.973 246 Y CA -0.436 57.410 58.100 -0.423 0.000 1.064 246 Y CB 1.338 39.221 38.460 -0.962 0.000 1.207 246 Y HN 1.004 nan 8.280 nan 0.000 0.452 247 E N 4.171 123.640 120.200 -1.219 0.000 2.308 247 E HA 0.165 4.513 4.350 -0.003 0.000 0.275 247 E C -1.832 174.279 176.600 -0.814 0.000 0.890 247 E CA -0.858 55.019 56.400 -0.871 0.000 0.754 247 E CB 1.006 30.529 29.700 -0.295 0.000 1.207 247 E HN 0.813 nan 8.360 nan 0.000 0.426 248 H N 4.995 123.694 119.070 -0.619 0.000 2.580 248 H HA 0.414 4.968 4.556 -0.003 0.000 0.322 248 H C -0.875 174.371 175.328 -0.136 0.000 1.082 248 H CA 0.094 55.984 56.048 -0.263 0.000 1.383 248 H CB 0.688 30.381 29.762 -0.115 0.000 1.450 248 H HN 0.499 nan 8.280 nan 0.000 0.505 249 R N 4.278 124.372 120.500 -0.677 0.000 2.807 249 R HA 0.345 4.684 4.340 -0.003 0.000 0.276 249 R C -0.268 175.697 176.300 -0.557 0.000 0.979 249 R CA -1.142 54.686 56.100 -0.454 0.000 0.928 249 R CB 2.243 32.358 30.300 -0.309 0.000 1.191 249 R HN 0.499 nan 8.270 nan 0.000 0.471 250 L N 2.340 123.434 121.223 -0.214 0.000 2.456 250 L HA -0.009 4.329 4.340 -0.003 0.000 0.272 250 L C 1.884 178.698 176.870 -0.092 0.000 1.189 250 L CA 0.058 54.844 54.840 -0.089 0.000 0.846 250 L CB 0.286 42.342 42.059 -0.004 0.000 1.111 250 L HN 0.659 nan 8.230 nan 0.000 0.475 251 I N 1.655 122.209 120.570 -0.026 0.000 2.194 251 I HA -0.286 3.882 4.170 -0.003 0.000 0.246 251 I C 1.783 177.921 176.117 0.035 0.000 1.093 251 I CA 1.772 63.096 61.300 0.040 0.000 1.355 251 I CB -0.303 37.745 38.000 0.081 0.000 1.046 251 I HN 0.690 nan 8.210 nan 0.000 0.413 252 D N 0.387 120.792 120.400 0.009 0.000 2.106 252 D HA -0.254 4.384 4.640 -0.003 0.000 0.191 252 D C 1.914 178.191 176.300 -0.039 0.000 0.997 252 D CA 1.830 55.829 54.000 -0.002 0.000 0.834 252 D CB -0.676 40.117 40.800 -0.011 0.000 0.956 252 D HN 0.515 nan 8.370 nan 0.000 0.448 253 D N -0.402 119.955 120.400 -0.072 0.000 2.104 253 D HA -0.176 4.463 4.640 -0.003 0.000 0.194 253 D C 1.975 178.159 176.300 -0.193 0.000 0.994 253 D CA 0.974 54.902 54.000 -0.121 0.000 0.830 253 D CB -0.204 40.521 40.800 -0.126 0.000 0.959 253 D HN -0.011 nan 8.370 nan 0.000 0.452 254 M N 0.338 119.808 119.600 -0.218 0.000 2.080 254 M HA -0.134 4.344 4.480 -0.003 0.000 0.260 254 M C 2.269 178.335 176.300 -0.391 0.000 1.068 254 M CA 1.938 57.007 55.300 -0.386 0.000 1.109 254 M CB -0.732 31.665 32.600 -0.338 0.000 1.342 254 M HN 0.139 nan 8.290 nan 0.000 0.405 255 V N -1.173 118.678 119.914 -0.105 0.000 2.332 255 V HA -0.154 3.964 4.120 -0.003 0.000 0.248 255 V C 2.317 178.393 176.094 -0.031 0.000 1.055 255 V CA 1.855 64.174 62.300 0.032 0.000 1.038 255 V CB -2.352 29.592 31.823 0.202 0.000 0.651 255 V HN 0.509 nan 8.190 nan 0.000 0.450 256 A N -0.197 122.583 122.820 -0.068 0.000 1.877 256 A HA -0.207 4.111 4.320 -0.003 0.000 0.216 256 A C 2.265 179.776 177.584 -0.122 0.000 1.186 256 A CA 1.989 53.983 52.037 -0.073 0.000 0.620 256 A CB -0.706 18.248 19.000 -0.076 0.000 0.822 256 A HN 0.615 nan 8.150 nan 0.000 0.443 257 Q N -0.439 119.222 119.800 -0.232 0.000 2.061 257 Q HA -0.198 4.140 4.340 -0.003 0.000 0.204 257 Q C 2.480 178.292 176.000 -0.313 0.000 0.984 257 Q CA 1.753 57.361 55.803 -0.325 0.000 0.846 257 Q CB -0.822 27.604 28.738 -0.521 0.000 0.902 257 Q HN 0.664 nan 8.270 nan 0.000 0.421 258 A N 0.985 123.586 122.820 -0.366 0.000 1.883 258 A HA -0.239 4.080 4.320 -0.003 0.000 0.217 258 A C 2.180 179.944 177.584 0.300 0.000 1.186 258 A CA 2.030 53.998 52.037 -0.115 0.000 0.624 258 A CB -0.598 18.250 19.000 -0.253 0.000 0.822 258 A HN 0.367 nan 8.150 nan 0.000 0.444 259 M N 0.803 120.553 119.600 0.250 0.000 2.106 259 M HA -0.201 4.277 4.480 -0.003 0.000 0.259 259 M C 1.851 178.239 176.300 0.147 0.000 1.068 259 M CA 2.564 58.021 55.300 0.261 0.000 1.100 259 M CB -0.398 32.250 32.600 0.079 0.000 1.351 259 M HN 0.534 nan 8.290 nan 0.000 0.404 260 K N -0.536 119.910 120.400 0.076 0.000 2.404 260 K HA 0.164 4.482 4.320 -0.003 0.000 0.194 260 K C 0.498 177.136 176.600 0.064 0.000 1.023 260 K CA 0.434 56.730 56.287 0.016 0.000 1.094 260 K CB -0.307 32.170 32.500 -0.039 0.000 0.841 260 K HN 0.402 nan 8.250 nan 0.000 0.523 261 S N 1.286 117.078 115.700 0.154 0.000 2.634 261 S HA -0.007 4.461 4.470 -0.003 0.000 0.261 261 S C 0.902 175.654 174.600 0.254 0.000 1.271 261 S CA -0.336 57.951 58.200 0.144 0.000 0.985 261 S CB 1.103 64.365 63.200 0.103 0.000 0.968 261 S HN 0.470 nan 8.310 nan 0.000 0.568 262 E N -0.171 120.129 120.200 0.167 0.000 2.479 262 E HA 0.411 4.759 4.350 -0.003 0.000 0.193 262 E C 1.032 177.706 176.600 0.124 0.000 1.049 262 E CA -0.127 56.365 56.400 0.153 0.000 0.870 262 E CB -0.776 28.965 29.700 0.069 0.000 0.944 262 E HN 1.131 nan 8.360 nan 0.000 0.492 263 G N 0.559 109.420 108.800 0.101 0.000 2.615 263 G HA2 -0.019 3.940 3.960 -0.003 0.000 0.218 263 G HA3 -0.019 3.940 3.960 -0.003 0.000 0.218 263 G C 0.623 175.383 174.900 -0.232 0.000 1.339 263 G CA -0.164 44.832 45.100 -0.173 0.000 0.884 263 G HN 1.123 nan 8.290 nan 0.000 0.559 264 G N -2.019 106.362 108.800 -0.698 0.000 2.248 264 G HA2 0.383 4.341 3.960 -0.003 0.000 0.252 264 G HA3 0.383 4.341 3.960 -0.003 0.000 0.252 264 G C 0.121 174.573 174.900 -0.746 0.000 1.085 264 G CA 1.116 45.448 45.100 -1.280 0.000 0.845 264 G HN 2.360 nan 8.290 nan 0.000 0.494 265 F N -1.758 117.990 119.950 -0.336 0.000 2.645 265 F HA 0.840 5.365 4.527 -0.003 0.000 0.310 265 F C -0.499 175.544 175.800 0.404 0.000 1.102 265 F CA -2.500 55.601 58.000 0.167 0.000 0.952 265 F CB 0.989 40.135 39.000 0.243 0.000 1.326 265 F HN -0.018 nan 8.300 nan 0.000 0.456 266 I N 2.052 123.013 120.570 0.652 0.000 2.385 266 I HA 0.162 4.330 4.170 -0.003 0.000 0.294 266 I C -1.177 175.372 176.117 0.720 0.000 0.988 266 I CA -0.610 61.021 61.300 0.552 0.000 1.265 266 I CB 1.196 39.446 38.000 0.417 0.000 1.388 266 I HN 0.826 nan 8.210 nan 0.000 0.480 267 W N 7.122 128.667 121.300 0.410 0.000 2.453 267 W HA 0.675 5.333 4.660 -0.003 0.000 0.310 267 W C -0.705 175.971 176.519 0.262 0.000 1.000 267 W CA -1.877 55.702 57.345 0.391 0.000 1.367 267 W CB 1.235 30.938 29.460 0.404 0.000 1.269 267 W HN 0.587 nan 8.180 nan 0.000 0.418 268 A N 4.905 128.040 122.820 0.526 0.000 2.396 268 A HA 0.523 4.841 4.320 -0.003 0.000 0.279 268 A C -0.388 177.401 177.584 0.342 0.000 1.165 268 A CA 0.147 52.392 52.037 0.346 0.000 0.824 268 A CB -0.197 18.857 19.000 0.090 0.000 1.100 268 A HN 0.562 nan 8.150 nan 0.000 0.516 269 C N 3.063 122.508 119.300 0.241 0.000 2.456 269 C HA 0.447 4.905 4.460 -0.003 0.000 0.325 269 C C 0.711 175.731 174.990 0.050 0.000 1.217 269 C CA -0.917 58.115 59.018 0.024 0.000 1.687 269 C CB 1.278 28.821 27.740 -0.328 0.000 2.270 269 C HN 0.931 nan 8.230 nan 0.000 0.499 270 K N 1.875 122.257 120.400 -0.029 0.000 2.440 270 K HA -0.037 4.281 4.320 -0.003 0.000 0.270 270 K C 1.240 177.744 176.600 -0.161 0.000 0.980 270 K CA -0.013 56.177 56.287 -0.161 0.000 0.953 270 K CB 0.402 32.759 32.500 -0.237 0.000 0.925 270 K HN 0.606 nan 8.250 nan 0.000 0.497 271 N N 1.418 120.010 118.700 -0.180 0.000 2.064 271 N HA -0.283 4.456 4.740 -0.003 0.000 0.200 271 N C 1.629 177.053 175.510 -0.143 0.000 1.028 271 N CA 1.903 54.801 53.050 -0.252 0.000 0.880 271 N CB -0.342 37.998 38.487 -0.245 0.000 1.062 271 N HN 0.606 nan 8.380 nan 0.000 0.454 272 Y N 1.464 121.778 120.300 0.024 0.000 2.163 272 Y HA -0.135 4.413 4.550 -0.003 0.000 0.288 272 Y C 2.010 177.894 175.900 -0.027 0.000 1.136 272 Y CA 1.909 60.092 58.100 0.137 0.000 1.147 272 Y CB -0.437 38.078 38.460 0.091 0.000 0.987 272 Y HN 0.101 nan 8.280 nan 0.000 0.509 273 D N -0.378 120.013 120.400 -0.014 0.000 2.144 273 D HA -0.159 4.479 4.640 -0.003 0.000 0.199 273 D C 2.295 178.403 176.300 -0.320 0.000 0.984 273 D CA 1.483 55.395 54.000 -0.147 0.000 0.834 273 D CB -0.780 39.981 40.800 -0.064 0.000 0.955 273 D HN 0.564 nan 8.370 nan 0.000 0.465 274 G N 0.738 109.349 108.800 -0.314 0.000 2.422 274 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.218 274 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.218 274 G C 1.445 176.148 174.900 -0.329 0.000 1.146 274 G CA 0.906 45.790 45.100 -0.361 0.000 0.769 274 G HN 0.177 nan 8.290 nan 0.000 0.547 275 D N 0.339 120.542 120.400 -0.329 0.000 2.077 275 D HA -0.116 4.523 4.640 -0.003 0.000 0.193 275 D C 2.709 178.842 176.300 -0.278 0.000 0.989 275 D CA 1.248 55.071 54.000 -0.295 0.000 0.831 275 D CB -0.469 40.170 40.800 -0.269 0.000 0.979 275 D HN 0.136 nan 8.370 nan 0.000 0.449 276 V N 0.677 120.369 119.914 -0.371 0.000 2.307 276 V HA -0.188 3.930 4.120 -0.003 0.000 0.245 276 V C 2.504 178.485 176.094 -0.189 0.000 1.045 276 V CA 1.558 63.680 62.300 -0.297 0.000 1.024 276 V CB -0.531 31.061 31.823 -0.385 0.000 0.651 276 V HN 0.267 nan 8.190 nan 0.000 0.449 277 Q N 0.245 119.903 119.800 -0.237 0.000 2.245 277 Q HA -0.083 4.256 4.340 -0.003 0.000 0.201 277 Q C 2.571 178.472 176.000 -0.165 0.000 0.955 277 Q CA 1.607 57.289 55.803 -0.203 0.000 0.870 277 Q CB -0.625 27.845 28.738 -0.446 0.000 0.945 277 Q HN 0.823 nan 8.270 nan 0.000 0.461 278 S N 0.917 116.494 115.700 -0.204 0.000 2.368 278 S HA -0.167 4.301 4.470 -0.003 0.000 0.225 278 S C 1.353 175.930 174.600 -0.037 0.000 1.030 278 S CA 1.459 59.585 58.200 -0.123 0.000 0.999 278 S CB -0.174 62.939 63.200 -0.145 0.000 0.844 278 S HN 0.149 nan 8.310 nan 0.000 0.459 279 D N 1.216 121.590 120.400 -0.043 0.000 2.144 279 D HA 0.018 4.656 4.640 -0.003 0.000 0.200 279 D C 2.174 178.501 176.300 0.046 0.000 0.978 279 D CA 1.213 55.214 54.000 0.001 0.000 0.833 279 D CB -0.635 40.152 40.800 -0.021 0.000 0.961 279 D HN 0.440 nan 8.370 nan 0.000 0.470 280 S N -0.507 115.223 115.700 0.049 0.000 2.353 280 S HA -0.144 4.324 4.470 -0.003 0.000 0.222 280 S C 2.068 176.800 174.600 0.220 0.000 1.035 280 S CA 1.089 59.357 58.200 0.114 0.000 1.025 280 S CB -0.315 62.959 63.200 0.123 0.000 0.902 280 S HN 0.047 nan 8.310 nan 0.000 0.440 281 V N 2.042 122.097 119.914 0.236 0.000 2.307 281 V HA -0.115 4.003 4.120 -0.003 0.000 0.245 281 V C 2.781 179.116 176.094 0.400 0.000 1.045 281 V CA 1.701 64.202 62.300 0.336 0.000 1.024 281 V CB -1.355 30.551 31.823 0.139 0.000 0.651 281 V HN 0.598 nan 8.190 nan 0.000 0.449 282 A N -0.369 122.592 122.820 0.235 0.000 1.892 282 A HA -0.345 3.973 4.320 -0.003 0.000 0.218 282 A C 2.183 179.898 177.584 0.218 0.000 1.188 282 A CA 2.450 54.609 52.037 0.204 0.000 0.631 282 A CB -0.623 18.436 19.000 0.098 0.000 0.822 282 A HN 0.538 nan 8.150 nan 0.000 0.447 283 Q N -0.252 119.646 119.800 0.163 0.000 2.119 283 Q HA -0.014 4.325 4.340 -0.003 0.000 0.201 283 Q C 1.924 177.998 176.000 0.123 0.000 0.972 283 Q CA 1.954 57.824 55.803 0.112 0.000 0.847 283 Q CB -0.941 27.835 28.738 0.064 0.000 0.903 283 Q HN 0.526 nan 8.270 nan 0.000 0.433 284 G N -1.166 107.751 108.800 0.195 0.000 2.422 284 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 284 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 284 G C 0.935 175.861 174.900 0.043 0.000 1.146 284 G CA 0.829 45.958 45.100 0.048 0.000 0.769 284 G HN 0.467 nan 8.290 nan 0.000 0.547 285 Y N 0.140 120.624 120.300 0.307 0.000 2.516 285 Y HA 0.248 4.796 4.550 -0.003 0.000 0.291 285 Y C 2.360 178.316 175.900 0.093 0.000 1.131 285 Y CA 0.823 59.059 58.100 0.225 0.000 1.281 285 Y CB 0.580 39.166 38.460 0.211 0.000 1.013 285 Y HN 0.345 nan 8.280 nan 0.000 0.554 286 G N -1.976 106.942 108.800 0.197 0.000 3.611 286 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.217 286 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.217 286 G C -0.148 174.782 174.900 0.050 0.000 1.023 286 G CA 0.102 45.257 45.100 0.092 0.000 0.887 286 G HN 0.147 nan 8.290 nan 0.000 0.420 287 S N -0.729 115.007 115.700 0.060 0.000 2.542 287 S HA 0.496 4.964 4.470 -0.003 0.000 0.276 287 S C 0.869 175.483 174.600 0.024 0.000 1.148 287 S CA -0.402 57.807 58.200 0.015 0.000 0.886 287 S CB 0.841 64.026 63.200 -0.025 0.000 1.109 287 S HN 0.385 nan 8.310 nan 0.000 0.458 288 L N 3.082 124.308 121.223 0.006 0.000 2.187 288 L HA -0.008 4.330 4.340 -0.003 0.000 0.213 288 L C 2.501 179.409 176.870 0.063 0.000 1.100 288 L CA 1.767 56.625 54.840 0.031 0.000 0.765 288 L CB -0.794 41.267 42.059 0.003 0.000 0.904 288 L HN 0.898 nan 8.230 nan 0.000 0.437 289 G N -0.607 108.170 108.800 -0.037 0.000 2.559 289 G HA2 -0.143 3.816 3.960 -0.003 0.000 0.216 289 G HA3 -0.143 3.816 3.960 -0.003 0.000 0.216 289 G C 1.037 175.952 174.900 0.025 0.000 1.126 289 G CA 0.225 45.318 45.100 -0.011 0.000 0.778 289 G HN 0.155 nan 8.290 nan 0.000 0.543 290 M N 0.491 120.085 119.600 -0.010 0.000 2.999 290 M HA 0.536 5.015 4.480 -0.003 0.000 0.206 290 M C -0.492 175.754 176.300 -0.091 0.000 1.111 290 M CA -0.040 55.210 55.300 -0.083 0.000 0.946 290 M CB 0.353 32.911 32.600 -0.070 0.000 1.330 290 M HN 0.189 nan 8.290 nan 0.000 0.533 291 M N 1.286 120.836 119.600 -0.083 0.000 2.365 291 M HA 0.463 4.941 4.480 -0.003 0.000 0.287 291 M C -0.770 175.492 176.300 -0.063 0.000 1.154 291 M CA -0.215 55.041 55.300 -0.073 0.000 0.941 291 M CB 2.404 34.995 32.600 -0.014 0.000 1.704 291 M HN 0.422 nan 8.290 nan 0.000 0.479 292 T N 0.465 114.991 114.554 -0.046 0.000 2.918 292 T HA 0.690 5.038 4.350 -0.003 0.000 0.283 292 T C -0.335 174.381 174.700 0.027 0.000 1.001 292 T CA -0.688 61.431 62.100 0.032 0.000 1.041 292 T CB 1.534 70.461 68.868 0.098 0.000 1.028 292 T HN 0.639 nan 8.240 nan 0.000 0.511 293 S N 0.893 116.615 115.700 0.037 0.000 2.720 293 S HA 0.547 5.016 4.470 -0.003 0.000 0.278 293 S C -1.495 173.121 174.600 0.028 0.000 1.172 293 S CA -0.715 57.493 58.200 0.015 0.000 1.019 293 S CB 0.600 63.778 63.200 -0.037 0.000 1.049 293 S HN 0.755 nan 8.310 nan 0.000 0.483 294 V N 5.512 125.460 119.914 0.057 0.000 2.482 294 V HA 0.481 4.599 4.120 -0.003 0.000 0.295 294 V C -0.394 175.737 176.094 0.063 0.000 1.026 294 V CA -0.805 61.528 62.300 0.055 0.000 0.856 294 V CB 1.453 33.320 31.823 0.073 0.000 1.001 294 V HN 0.839 nan 8.190 nan 0.000 0.424 295 L N 6.736 127.960 121.223 0.003 0.000 2.361 295 L HA 0.469 4.808 4.340 -0.003 0.000 0.278 295 L C -0.312 176.568 176.870 0.017 0.000 1.113 295 L CA 0.723 55.558 54.840 -0.009 0.000 0.849 295 L CB 0.188 42.221 42.059 -0.043 0.000 1.155 295 L HN 0.524 nan 8.230 nan 0.000 0.452 296 I N 5.607 126.226 120.570 0.082 0.000 2.328 296 I HA 0.220 4.388 4.170 -0.003 0.000 0.287 296 I C -0.174 175.988 176.117 0.075 0.000 1.012 296 I CA -0.585 60.769 61.300 0.089 0.000 1.195 296 I CB 0.928 39.061 38.000 0.222 0.000 1.350 296 I HN 0.616 nan 8.210 nan 0.000 0.464 297 C N 7.550 126.869 119.300 0.032 0.000 2.595 297 C HA 0.167 4.626 4.460 -0.003 0.000 0.384 297 C C -0.656 174.366 174.990 0.053 0.000 1.289 297 C CA -0.663 58.376 59.018 0.035 0.000 2.372 297 C CB 0.189 27.938 27.740 0.015 0.000 2.593 297 C HN 0.588 nan 8.230 nan 0.000 0.639 298 P HA -0.063 nan 4.420 nan 0.000 0.230 298 P C 0.734 178.054 177.300 0.034 0.000 1.158 298 P CA 1.148 64.279 63.100 0.052 0.000 0.769 298 P CB -0.107 31.616 31.700 0.038 0.000 0.807 299 D N -1.364 119.052 120.400 0.027 0.000 2.347 299 D HA 0.018 4.656 4.640 -0.003 0.000 0.215 299 D C 1.607 177.926 176.300 0.032 0.000 0.976 299 D CA 0.966 54.979 54.000 0.021 0.000 0.884 299 D CB -1.068 39.741 40.800 0.016 0.000 0.915 299 D HN 0.205 nan 8.370 nan 0.000 0.526 300 G N 0.506 109.334 108.800 0.047 0.000 2.179 300 G HA2 -0.401 3.557 3.960 -0.003 0.000 0.260 300 G HA3 -0.401 3.557 3.960 -0.003 0.000 0.260 300 G C 1.026 175.981 174.900 0.092 0.000 0.977 300 G CA 0.622 45.759 45.100 0.061 0.000 0.641 300 G HN 0.536 nan 8.290 nan 0.000 0.533 301 K N -0.545 119.910 120.400 0.092 0.000 2.367 301 K HA 0.211 4.530 4.320 -0.003 0.000 0.198 301 K C 0.568 177.297 176.600 0.215 0.000 1.132 301 K CA 0.988 57.364 56.287 0.148 0.000 0.941 301 K CB 0.523 33.074 32.500 0.086 0.000 1.052 301 K HN 0.324 nan 8.250 nan 0.000 0.507 302 T N 0.938 115.548 114.554 0.094 0.000 2.875 302 T HA 0.453 4.802 4.350 -0.003 0.000 0.284 302 T C -0.914 173.752 174.700 -0.056 0.000 0.995 302 T CA -0.515 61.618 62.100 0.056 0.000 1.060 302 T CB 2.187 71.072 68.868 0.028 0.000 0.967 302 T HN -0.181 nan 8.240 nan 0.000 0.476 303 V N 2.120 121.976 119.914 -0.098 0.000 2.851 303 V HA 0.477 4.595 4.120 -0.003 0.000 0.307 303 V C -0.790 175.257 176.094 -0.077 0.000 1.129 303 V CA -0.812 61.375 62.300 -0.188 0.000 0.932 303 V CB 2.240 33.724 31.823 -0.565 0.000 1.024 303 V HN 0.905 nan 8.190 nan 0.000 0.426 304 E N 3.017 123.180 120.200 -0.061 0.000 2.218 304 E HA 0.753 5.101 4.350 -0.003 0.000 0.263 304 E C -0.983 175.592 176.600 -0.041 0.000 0.879 304 E CA -0.526 55.846 56.400 -0.046 0.000 0.762 304 E CB 2.060 31.729 29.700 -0.052 0.000 1.166 304 E HN 0.864 nan 8.360 nan 0.000 0.415 305 A N 4.289 127.089 122.820 -0.033 0.000 2.324 305 A HA 0.678 4.996 4.320 -0.003 0.000 0.330 305 A C -0.600 176.976 177.584 -0.012 0.000 1.165 305 A CA -0.487 51.545 52.037 -0.009 0.000 0.813 305 A CB 0.904 19.913 19.000 0.015 0.000 1.197 305 A HN 0.771 nan 8.150 nan 0.000 0.484 306 E N 0.379 120.579 120.200 -0.000 0.000 2.437 306 E HA 0.673 5.022 4.350 -0.003 0.000 0.280 306 E C -0.588 176.000 176.600 -0.021 0.000 1.044 306 E CA -0.986 55.399 56.400 -0.025 0.000 0.826 306 E CB 1.397 31.042 29.700 -0.090 0.000 1.358 306 E HN 0.927 nan 8.360 nan 0.000 0.459 307 A N 0.435 123.201 122.820 -0.089 0.000 2.371 307 A HA 0.577 4.895 4.320 -0.003 0.000 0.257 307 A C 0.905 178.327 177.584 -0.271 0.000 1.089 307 A CA 0.233 52.121 52.037 -0.247 0.000 0.794 307 A CB 0.671 19.315 19.000 -0.594 0.000 1.029 307 A HN 0.809 nan 8.150 nan 0.000 0.488 308 A N 1.543 124.235 122.820 -0.213 0.000 1.970 308 A HA 0.163 4.481 4.320 -0.003 0.000 0.216 308 A C 1.088 178.596 177.584 -0.127 0.000 1.170 308 A CA 1.509 53.462 52.037 -0.139 0.000 0.645 308 A CB -0.980 17.979 19.000 -0.069 0.000 0.816 308 A HN 1.117 nan 8.150 nan 0.000 0.447 309 H N -1.929 117.122 119.070 -0.032 0.000 2.598 309 H HA 0.595 5.149 4.556 -0.003 0.000 0.371 309 H C 0.914 176.215 175.328 -0.045 0.000 1.468 309 H CA -0.489 55.535 56.048 -0.040 0.000 1.454 309 H CB -0.165 29.573 29.762 -0.039 0.000 1.579 309 H HN 0.144 nan 8.280 nan 0.000 0.611 310 G N -1.537 107.380 108.800 0.195 0.000 2.574 310 G HA2 0.261 4.219 3.960 -0.003 0.000 0.248 310 G HA3 0.261 4.219 3.960 -0.003 0.000 0.248 310 G C 0.637 175.630 174.900 0.154 0.000 1.422 310 G CA -0.237 44.922 45.100 0.098 0.000 1.051 310 G HN 0.942 nan 8.290 nan 0.000 0.560 311 T N -2.537 112.043 114.554 0.044 0.000 3.129 311 T HA 0.167 4.515 4.350 -0.003 0.000 0.251 311 T C 0.745 175.446 174.700 0.001 0.000 1.117 311 T CA 0.535 62.641 62.100 0.009 0.000 1.034 311 T CB -0.340 68.494 68.868 -0.057 0.000 0.968 311 T HN 1.343 nan 8.240 nan 0.000 0.526 312 V N 1.198 121.102 119.914 -0.017 0.000 5.820 312 V HA -0.280 3.838 4.120 -0.003 0.000 0.300 312 V C 1.669 177.768 176.094 0.009 0.000 0.585 312 V CA 0.904 63.141 62.300 -0.105 0.000 0.629 312 V CB -3.499 28.175 31.823 -0.248 0.000 0.291 312 V HN 0.663 nan 8.190 nan 0.000 0.887 313 T N 0.107 114.693 114.554 0.053 0.000 2.699 313 T HA -0.250 4.098 4.350 -0.003 0.000 0.268 313 T C 1.913 176.740 174.700 0.211 0.000 1.036 313 T CA 2.349 64.540 62.100 0.152 0.000 1.147 313 T CB -0.182 68.758 68.868 0.120 0.000 0.862 313 T HN 0.757 nan 8.240 nan 0.000 0.446 314 R N 0.054 120.638 120.500 0.141 0.000 2.096 314 R HA -0.073 4.266 4.340 -0.003 0.000 0.235 314 R C 2.362 178.836 176.300 0.290 0.000 1.127 314 R CA 1.417 57.625 56.100 0.180 0.000 0.968 314 R CB -0.421 29.963 30.300 0.140 0.000 0.861 314 R HN 0.657 nan 8.270 nan 0.000 0.440 315 H N -1.357 117.775 119.070 0.104 0.000 2.333 315 H HA -0.147 4.407 4.556 -0.003 0.000 0.302 315 H C 1.881 177.326 175.328 0.194 0.000 1.075 315 H CA 1.164 57.277 56.048 0.109 0.000 1.348 315 H CB -0.101 29.695 29.762 0.057 0.000 1.393 315 H HN 0.176 nan 8.280 nan 0.000 0.509 316 Y N 2.265 122.702 120.300 0.229 0.000 2.151 316 Y HA -0.270 4.278 4.550 -0.003 0.000 0.284 316 Y C 2.329 178.396 175.900 0.279 0.000 1.166 316 Y CA 1.242 59.482 58.100 0.234 0.000 1.163 316 Y CB -0.055 38.506 38.460 0.168 0.000 0.974 316 Y HN -0.026 nan 8.280 nan 0.000 0.511 317 R N -0.092 120.537 120.500 0.214 0.000 2.081 317 R HA -0.179 4.159 4.340 -0.003 0.000 0.235 317 R C 2.269 178.596 176.300 0.045 0.000 1.131 317 R CA 1.974 58.126 56.100 0.088 0.000 0.960 317 R CB -0.986 29.383 30.300 0.115 0.000 0.856 317 R HN 0.501 nan 8.270 nan 0.000 0.436 318 M N -0.896 118.762 119.600 0.097 0.000 2.132 318 M HA -0.159 4.320 4.480 -0.003 0.000 0.263 318 M C 2.175 178.522 176.300 0.079 0.000 1.065 318 M CA 1.538 56.881 55.300 0.072 0.000 1.122 318 M CB -0.556 32.086 32.600 0.071 0.000 1.365 318 M HN 0.067 nan 8.290 nan 0.000 0.411 319 Y N 1.491 121.783 120.300 -0.012 0.000 2.181 319 Y HA -0.255 4.293 4.550 -0.003 0.000 0.288 319 Y C 2.260 178.101 175.900 -0.099 0.000 1.146 319 Y CA 1.766 59.862 58.100 -0.006 0.000 1.164 319 Y CB -0.348 38.151 38.460 0.065 0.000 0.982 319 Y HN 0.237 nan 8.280 nan 0.000 0.515 320 Q N 0.442 120.071 119.800 -0.285 0.000 2.124 320 Q HA -0.157 4.181 4.340 -0.003 0.000 0.202 320 Q C 1.519 177.382 176.000 -0.228 0.000 0.977 320 Q CA 1.657 57.246 55.803 -0.355 0.000 0.850 320 Q CB -0.122 28.448 28.738 -0.282 0.000 0.901 320 Q HN 0.529 nan 8.270 nan 0.000 0.429 321 K N -0.535 119.783 120.400 -0.137 0.000 2.522 321 K HA 0.118 4.436 4.320 -0.003 0.000 0.194 321 K C 0.743 177.292 176.600 -0.085 0.000 1.026 321 K CA 0.549 56.784 56.287 -0.087 0.000 1.119 321 K CB 0.561 33.035 32.500 -0.042 0.000 0.856 321 K HN 0.327 nan 8.250 nan 0.000 0.513 322 G N 1.761 110.483 108.800 -0.130 0.000 2.159 322 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.256 322 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.256 322 G C -0.194 174.686 174.900 -0.033 0.000 0.977 322 G CA -0.032 45.006 45.100 -0.103 0.000 0.652 322 G HN 0.403 nan 8.290 nan 0.000 0.531 323 Q N 0.054 119.855 119.800 0.001 0.000 2.230 323 Q HA 0.487 4.825 4.340 -0.003 0.000 0.248 323 Q C 0.295 176.363 176.000 0.113 0.000 0.915 323 Q CA -0.493 55.339 55.803 0.047 0.000 0.900 323 Q CB 1.282 30.043 28.738 0.038 0.000 1.229 323 Q HN 0.477 nan 8.270 nan 0.000 0.439 324 E N 1.359 121.632 120.200 0.121 0.000 2.415 324 E HA 0.027 4.376 4.350 -0.003 0.000 0.263 324 E C -0.857 175.835 176.600 0.154 0.000 0.995 324 E CA -0.016 56.495 56.400 0.185 0.000 0.915 324 E CB 0.600 30.399 29.700 0.165 0.000 0.951 324 E HN 0.566 nan 8.360 nan 0.000 0.449 325 T N 0.851 115.523 114.554 0.196 0.000 2.885 325 T HA 0.435 4.783 4.350 -0.003 0.000 0.285 325 T C -0.299 174.373 174.700 -0.047 0.000 1.019 325 T CA -0.978 61.140 62.100 0.031 0.000 1.010 325 T CB 1.761 70.671 68.868 0.071 0.000 1.022 325 T HN 0.194 nan 8.240 nan 0.000 0.466 326 S N 1.526 117.132 115.700 -0.157 0.000 2.539 326 S HA 0.514 4.982 4.470 -0.003 0.000 0.235 326 S C -0.769 173.743 174.600 -0.147 0.000 1.326 326 S CA -0.544 57.567 58.200 -0.148 0.000 1.183 326 S CB -0.016 63.078 63.200 -0.176 0.000 1.073 326 S HN 0.843 nan 8.310 nan 0.000 0.480 327 T N 4.142 118.650 114.554 -0.077 0.000 2.797 327 T HA 0.352 4.701 4.350 -0.003 0.000 0.279 327 T C -0.131 174.535 174.700 -0.057 0.000 0.991 327 T CA -0.672 61.450 62.100 0.037 0.000 0.979 327 T CB 0.939 69.875 68.868 0.114 0.000 0.943 327 T HN 0.547 nan 8.240 nan 0.000 0.444 328 N N 4.465 123.111 118.700 -0.090 0.000 2.420 328 N HA 0.133 4.871 4.740 -0.003 0.000 0.262 328 N C -1.411 174.111 175.510 0.020 0.000 1.144 328 N CA -2.001 50.986 53.050 -0.104 0.000 0.952 328 N CB 1.187 39.590 38.487 -0.140 0.000 1.081 328 N HN 0.285 nan 8.380 nan 0.000 0.480 329 P HA 0.007 nan 4.420 nan 0.000 0.245 329 P C 1.446 178.912 177.300 0.276 0.000 1.206 329 P CA 0.079 63.319 63.100 0.233 0.000 0.781 329 P CB 0.532 32.395 31.700 0.271 0.000 0.994 330 I N 1.217 121.934 120.570 0.244 0.000 2.163 330 I HA -0.216 3.952 4.170 -0.003 0.000 0.243 330 I C 2.505 178.764 176.117 0.235 0.000 1.085 330 I CA 1.510 62.955 61.300 0.242 0.000 1.347 330 I CB -1.915 36.143 38.000 0.098 0.000 1.044 330 I HN -0.034 nan 8.210 nan 0.000 0.408 331 A N 0.408 123.342 122.820 0.190 0.000 1.908 331 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 331 A C 2.581 180.333 177.584 0.280 0.000 1.181 331 A CA 2.225 54.373 52.037 0.187 0.000 0.627 331 A CB -0.839 18.280 19.000 0.199 0.000 0.818 331 A HN 0.447 nan 8.150 nan 0.000 0.445 332 S N -0.220 115.688 115.700 0.348 0.000 2.382 332 S HA -0.094 4.374 4.470 -0.003 0.000 0.228 332 S C 1.758 176.617 174.600 0.432 0.000 1.027 332 S CA 1.442 59.905 58.200 0.437 0.000 0.991 332 S CB -0.475 63.024 63.200 0.498 0.000 0.823 332 S HN 0.552 nan 8.310 nan 0.000 0.469 333 I N 0.184 120.978 120.570 0.372 0.000 2.252 333 I HA -0.130 4.038 4.170 -0.003 0.000 0.245 333 I C 1.686 178.008 176.117 0.342 0.000 1.102 333 I CA 1.134 62.622 61.300 0.314 0.000 1.385 333 I CB -0.319 37.837 38.000 0.260 0.000 1.064 333 I HN 0.192 nan 8.210 nan 0.000 0.414 334 F N 1.068 121.102 119.950 0.140 0.000 2.365 334 F HA -0.079 4.447 4.527 -0.003 0.000 0.300 334 F C 2.487 178.354 175.800 0.112 0.000 1.090 334 F CA 0.799 58.861 58.000 0.102 0.000 1.408 334 F CB -0.880 38.162 39.000 0.070 0.000 1.060 334 F HN -0.006 nan 8.300 nan 0.000 0.534 335 A N -0.665 122.333 122.820 0.297 0.000 1.877 335 A HA -0.205 4.113 4.320 -0.003 0.000 0.216 335 A C 2.058 179.689 177.584 0.079 0.000 1.186 335 A CA 1.523 53.664 52.037 0.173 0.000 0.620 335 A CB -1.357 17.777 19.000 0.224 0.000 0.822 335 A HN 0.485 nan 8.150 nan 0.000 0.443 336 W N 0.957 122.287 121.300 0.050 0.000 2.355 336 W HA -0.194 4.464 4.660 -0.003 0.000 0.309 336 W C 3.085 179.601 176.519 -0.006 0.000 1.206 336 W CA 2.311 59.648 57.345 -0.014 0.000 1.284 336 W CB -0.436 28.951 29.460 -0.121 0.000 1.145 336 W HN 0.485 nan 8.180 nan 0.000 0.502 337 S N 0.181 115.973 115.700 0.153 0.000 2.368 337 S HA -0.151 4.317 4.470 -0.003 0.000 0.225 337 S C 1.911 176.503 174.600 -0.012 0.000 1.030 337 S CA 0.947 59.121 58.200 -0.043 0.000 0.999 337 S CB -0.430 62.549 63.200 -0.369 0.000 0.844 337 S HN 0.139 nan 8.310 nan 0.000 0.459 338 R N 1.277 121.795 120.500 0.029 0.000 2.115 338 R HA 0.138 4.477 4.340 -0.003 0.000 0.226 338 R C 2.659 179.010 176.300 0.085 0.000 1.100 338 R CA 1.171 57.305 56.100 0.056 0.000 0.980 338 R CB -1.562 28.789 30.300 0.085 0.000 0.875 338 R HN 0.598 nan 8.270 nan 0.000 0.445 339 G N 1.317 110.165 108.800 0.079 0.000 2.414 339 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.215 339 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.215 339 G C 1.604 176.588 174.900 0.140 0.000 1.188 339 G CA 0.289 45.441 45.100 0.086 0.000 0.783 339 G HN 0.166 nan 8.290 nan 0.000 0.537 340 L N 0.855 122.174 121.223 0.160 0.000 2.083 340 L HA -0.080 4.258 4.340 -0.003 0.000 0.209 340 L C 3.411 180.365 176.870 0.140 0.000 1.083 340 L CA 0.994 55.943 54.840 0.181 0.000 0.752 340 L CB -0.414 41.806 42.059 0.269 0.000 0.899 340 L HN 0.310 nan 8.230 nan 0.000 0.433 341 A N -0.542 122.347 122.820 0.114 0.000 1.933 341 A HA -0.299 4.019 4.320 -0.003 0.000 0.218 341 A C 2.123 179.768 177.584 0.102 0.000 1.175 341 A CA 2.061 54.149 52.037 0.085 0.000 0.628 341 A CB -0.770 18.259 19.000 0.048 0.000 0.814 341 A HN 0.526 nan 8.150 nan 0.000 0.444 342 H N -0.531 118.565 119.070 0.042 0.000 2.333 342 H HA -0.070 4.485 4.556 -0.003 0.000 0.302 342 H C 2.192 177.548 175.328 0.048 0.000 1.075 342 H CA 1.914 57.985 56.048 0.039 0.000 1.348 342 H CB -0.122 29.662 29.762 0.037 0.000 1.393 342 H HN 0.362 nan 8.280 nan 0.000 0.509 343 R N 0.878 121.385 120.500 0.010 0.000 2.113 343 R HA -0.176 4.162 4.340 -0.003 0.000 0.244 343 R C 2.366 178.634 176.300 -0.053 0.000 1.142 343 R CA 1.966 58.053 56.100 -0.021 0.000 0.953 343 R CB -1.169 29.174 30.300 0.071 0.000 0.860 343 R HN 0.431 nan 8.270 nan 0.000 0.438 344 A N 0.796 123.614 122.820 -0.004 0.000 1.883 344 A HA -0.239 4.079 4.320 -0.003 0.000 0.217 344 A C 2.180 179.746 177.584 -0.030 0.000 1.186 344 A CA 1.975 54.016 52.037 0.008 0.000 0.624 344 A CB -0.753 18.276 19.000 0.050 0.000 0.822 344 A HN 0.505 nan 8.150 nan 0.000 0.444 345 K N -0.298 120.062 120.400 -0.066 0.000 2.097 345 K HA -0.078 4.240 4.320 -0.003 0.000 0.206 345 K C 1.880 178.411 176.600 -0.114 0.000 1.049 345 K CA 1.345 57.586 56.287 -0.076 0.000 0.933 345 K CB -0.303 32.159 32.500 -0.063 0.000 0.717 345 K HN 0.496 nan 8.250 nan 0.000 0.442 346 L N 0.869 121.972 121.223 -0.201 0.000 2.056 346 L HA -0.162 4.176 4.340 -0.003 0.000 0.207 346 L C 1.245 178.073 176.870 -0.069 0.000 1.078 346 L CA 1.196 55.939 54.840 -0.161 0.000 0.749 346 L CB -0.203 41.730 42.059 -0.211 0.000 0.901 346 L HN 0.187 nan 8.230 nan 0.000 0.433 347 D N -1.028 119.342 120.400 -0.048 0.000 2.349 347 D HA -0.040 4.598 4.640 -0.003 0.000 0.214 347 D C 0.364 176.659 176.300 -0.009 0.000 1.063 347 D CA 0.058 54.049 54.000 -0.016 0.000 0.847 347 D CB -0.207 40.593 40.800 0.000 0.000 0.933 347 D HN 0.110 nan 8.370 nan 0.000 0.513 348 N N 1.933 120.623 118.700 -0.016 0.000 2.699 348 N HA -0.218 4.521 4.740 -0.003 0.000 0.256 348 N C -0.622 174.891 175.510 0.006 0.000 0.993 348 N CA 0.254 53.301 53.050 -0.005 0.000 0.759 348 N CB -1.267 37.217 38.487 -0.004 0.000 0.906 348 N HN 0.142 nan 8.380 nan 0.000 0.541 349 N N 0.530 119.237 118.700 0.012 0.000 2.602 349 N HA 0.133 4.871 4.740 -0.003 0.000 0.238 349 N C 1.408 176.945 175.510 0.046 0.000 1.084 349 N CA 0.364 53.430 53.050 0.027 0.000 0.952 349 N CB 0.434 38.939 38.487 0.030 0.000 1.244 349 N HN 0.314 nan 8.380 nan 0.000 0.512 350 T N 0.085 114.663 114.554 0.041 0.000 2.915 350 T HA -0.090 4.258 4.350 -0.003 0.000 0.269 350 T C 1.331 176.090 174.700 0.098 0.000 1.071 350 T CA 1.017 63.150 62.100 0.056 0.000 1.132 350 T CB -0.036 68.848 68.868 0.027 0.000 0.878 350 T HN 0.460 nan 8.240 nan 0.000 0.479 351 E N 0.293 120.546 120.200 0.088 0.000 2.077 351 E HA -0.014 4.334 4.350 -0.003 0.000 0.193 351 E C 1.937 178.672 176.600 0.225 0.000 0.989 351 E CA 0.837 57.320 56.400 0.139 0.000 0.800 351 E CB -0.172 29.577 29.700 0.082 0.000 0.746 351 E HN 0.309 nan 8.360 nan 0.000 0.452 352 L N 0.257 121.575 121.223 0.158 0.000 2.131 352 L HA -0.063 4.276 4.340 -0.003 0.000 0.206 352 L C 2.101 179.093 176.870 0.203 0.000 1.087 352 L CA 1.399 56.348 54.840 0.182 0.000 0.767 352 L CB -0.262 41.864 42.059 0.111 0.000 0.917 352 L HN -0.052 nan 8.230 nan 0.000 0.441 353 S N -0.482 115.308 115.700 0.151 0.000 2.359 353 S HA -0.250 4.219 4.470 -0.003 0.000 0.224 353 S C 1.826 176.498 174.600 0.120 0.000 1.035 353 S CA 1.884 60.152 58.200 0.113 0.000 1.018 353 S CB -0.696 62.560 63.200 0.094 0.000 0.876 353 S HN 0.572 nan 8.310 nan 0.000 0.448 354 F N 1.634 121.610 119.950 0.043 0.000 2.146 354 F HA -0.061 4.464 4.527 -0.003 0.000 0.298 354 F C 1.884 177.693 175.800 0.015 0.000 1.096 354 F CA 1.140 59.152 58.000 0.020 0.000 1.275 354 F CB -0.589 38.428 39.000 0.027 0.000 1.008 354 F HN 0.215 nan 8.300 nan 0.000 0.480 355 F N 1.102 120.952 119.950 -0.167 0.000 2.161 355 F HA -0.115 4.410 4.527 -0.003 0.000 0.300 355 F C 2.223 177.854 175.800 -0.283 0.000 1.089 355 F CA 1.579 59.410 58.000 -0.283 0.000 1.282 355 F CB -0.923 38.036 39.000 -0.068 0.000 1.010 355 F HN 0.042 nan 8.300 nan 0.000 0.485 356 A N 0.325 123.031 122.820 -0.191 0.000 1.858 356 A HA -0.224 4.094 4.320 -0.003 0.000 0.216 356 A C 2.305 179.651 177.584 -0.396 0.000 1.190 356 A CA 1.842 53.724 52.037 -0.259 0.000 0.617 356 A CB -0.934 18.037 19.000 -0.049 0.000 0.827 356 A HN 0.459 nan 8.150 nan 0.000 0.443 357 K N -0.338 119.870 120.400 -0.319 0.000 2.044 357 K HA -0.162 4.156 4.320 -0.003 0.000 0.210 357 K C 2.112 178.458 176.600 -0.423 0.000 1.049 357 K CA 1.461 57.562 56.287 -0.308 0.000 0.927 357 K CB -0.343 32.037 32.500 -0.200 0.000 0.713 357 K HN 0.384 nan 8.250 nan 0.000 0.443 358 A N 0.938 123.383 122.820 -0.625 0.000 1.930 358 A HA -0.135 4.184 4.320 -0.003 0.000 0.217 358 A C 2.009 179.253 177.584 -0.567 0.000 1.175 358 A CA 1.259 52.912 52.037 -0.640 0.000 0.627 358 A CB -0.553 17.916 19.000 -0.885 0.000 0.815 358 A HN 0.389 nan 8.150 nan 0.000 0.443 359 L N 0.187 120.977 121.223 -0.722 0.000 2.046 359 L HA -0.132 4.206 4.340 -0.003 0.000 0.208 359 L C 2.129 178.726 176.870 -0.454 0.000 1.077 359 L CA 2.307 56.773 54.840 -0.623 0.000 0.747 359 L CB -0.652 40.954 42.059 -0.756 0.000 0.896 359 L HN 0.516 nan 8.230 nan 0.000 0.432 360 E N -0.672 119.212 120.200 -0.526 0.000 2.072 360 E HA -0.189 4.159 4.350 -0.003 0.000 0.191 360 E C 1.728 178.255 176.600 -0.121 0.000 0.985 360 E CA 1.218 57.307 56.400 -0.519 0.000 0.801 360 E CB -0.132 29.189 29.700 -0.630 0.000 0.750 360 E HN 0.558 nan 8.360 nan 0.000 0.452 361 D N 0.573 120.879 120.400 -0.156 0.000 2.144 361 D HA -0.118 4.520 4.640 -0.003 0.000 0.199 361 D C 2.104 178.375 176.300 -0.048 0.000 0.984 361 D CA 0.673 54.631 54.000 -0.071 0.000 0.834 361 D CB -0.268 40.470 40.800 -0.103 0.000 0.955 361 D HN 0.005 nan 8.370 nan 0.000 0.465 362 V N 0.850 120.697 119.914 -0.112 0.000 2.392 362 V HA -0.279 3.839 4.120 -0.003 0.000 0.249 362 V C 2.675 178.757 176.094 -0.020 0.000 1.059 362 V CA 1.243 63.487 62.300 -0.093 0.000 1.051 362 V CB -0.473 31.247 31.823 -0.170 0.000 0.658 362 V HN 0.294 nan 8.190 nan 0.000 0.455 363 C N -0.163 119.160 119.300 0.039 0.000 2.413 363 C HA -0.155 4.303 4.460 -0.003 0.000 0.277 363 C C 2.531 177.637 174.990 0.192 0.000 1.228 363 C CA 1.182 60.302 59.018 0.170 0.000 1.731 363 C CB -0.931 27.035 27.740 0.377 0.000 2.042 363 C HN 0.530 nan 8.230 nan 0.000 0.468 364 I N 0.680 121.355 120.570 0.174 0.000 2.163 364 I HA -0.191 3.978 4.170 -0.003 0.000 0.240 364 I C 2.544 178.730 176.117 0.115 0.000 1.081 364 I CA 1.595 62.980 61.300 0.140 0.000 1.353 364 I CB -0.667 37.409 38.000 0.126 0.000 1.054 364 I HN 0.402 nan 8.210 nan 0.000 0.407 365 E N 0.381 120.632 120.200 0.084 0.000 2.086 365 E HA -0.240 4.108 4.350 -0.003 0.000 0.200 365 E C 2.152 178.822 176.600 0.116 0.000 1.012 365 E CA 2.163 58.609 56.400 0.076 0.000 0.812 365 E CB -0.222 29.501 29.700 0.037 0.000 0.743 365 E HN 0.473 nan 8.360 nan 0.000 0.453 366 T N 0.876 115.505 114.554 0.125 0.000 2.746 366 T HA -0.117 4.231 4.350 -0.003 0.000 0.267 366 T C 1.961 176.852 174.700 0.318 0.000 1.039 366 T CA 1.007 63.223 62.100 0.193 0.000 1.142 366 T CB -0.172 68.746 68.868 0.082 0.000 0.866 366 T HN 0.097 nan 8.240 nan 0.000 0.444 367 I N 0.949 121.691 120.570 0.287 0.000 2.252 367 I HA -0.116 4.052 4.170 -0.003 0.000 0.245 367 I C 2.560 178.768 176.117 0.151 0.000 1.102 367 I CA 1.278 62.727 61.300 0.248 0.000 1.385 367 I CB -0.367 37.748 38.000 0.191 0.000 1.064 367 I HN 0.261 nan 8.210 nan 0.000 0.414 368 E N 0.842 121.119 120.200 0.127 0.000 2.265 368 E HA -0.180 4.168 4.350 -0.003 0.000 0.196 368 E C 2.083 178.731 176.600 0.080 0.000 0.996 368 E CA 1.039 57.491 56.400 0.086 0.000 0.832 368 E CB -0.134 29.613 29.700 0.077 0.000 0.756 368 E HN 0.525 nan 8.360 nan 0.000 0.491 369 A N 0.073 122.971 122.820 0.130 0.000 2.208 369 A HA 0.220 4.538 4.320 -0.003 0.000 0.209 369 A C 1.708 179.267 177.584 -0.042 0.000 1.161 369 A CA 0.882 53.000 52.037 0.136 0.000 0.782 369 A CB -0.081 19.103 19.000 0.307 0.000 0.816 369 A HN 0.335 nan 8.150 nan 0.000 0.477 370 G N -2.262 106.491 108.800 -0.078 0.000 2.163 370 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.213 370 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.213 370 G C -0.118 174.544 174.900 -0.397 0.000 0.991 370 G CA -0.076 44.857 45.100 -0.278 0.000 0.653 370 G HN 0.371 nan 8.290 nan 0.000 0.518 371 F N 1.674 121.708 119.950 0.141 0.000 2.361 371 F HA 0.793 5.318 4.527 -0.003 0.000 0.364 371 F C 0.736 176.738 175.800 0.337 0.000 1.117 371 F CA -0.519 57.611 58.000 0.217 0.000 1.071 371 F CB 1.178 40.299 39.000 0.202 0.000 1.188 371 F HN 0.284 nan 8.300 nan 0.000 0.464 372 M N 0.482 120.267 119.600 0.308 0.000 2.644 372 M HA 0.603 5.082 4.480 -0.003 0.000 0.273 372 M C -0.886 175.297 176.300 -0.196 0.000 1.253 372 M CA -0.904 54.354 55.300 -0.069 0.000 0.852 372 M CB 2.131 34.707 32.600 -0.041 0.000 1.708 372 M HN 0.353 nan 8.290 nan 0.000 0.471 373 T N -1.473 112.778 114.554 -0.505 0.000 2.788 373 T HA 0.259 4.608 4.350 -0.003 0.000 0.287 373 T C 0.801 175.363 174.700 -0.230 0.000 1.007 373 T CA -0.390 61.524 62.100 -0.310 0.000 1.005 373 T CB 1.453 70.083 68.868 -0.396 0.000 1.012 373 T HN 0.950 nan 8.240 nan 0.000 0.530 374 K N 0.701 120.853 120.400 -0.414 0.000 2.103 374 K HA -0.217 4.102 4.320 -0.003 0.000 0.207 374 K C 1.834 178.243 176.600 -0.318 0.000 1.048 374 K CA 2.038 57.930 56.287 -0.659 0.000 0.930 374 K CB -0.420 31.396 32.500 -1.140 0.000 0.716 374 K HN 0.798 nan 8.250 nan 0.000 0.444 375 D N 0.966 121.229 120.400 -0.228 0.000 2.123 375 D HA -0.238 4.400 4.640 -0.003 0.000 0.196 375 D C 2.033 178.269 176.300 -0.107 0.000 0.992 375 D CA 1.279 55.196 54.000 -0.137 0.000 0.833 375 D CB -0.535 40.202 40.800 -0.105 0.000 0.954 375 D HN 0.346 nan 8.370 nan 0.000 0.455 376 L N 0.405 121.558 121.223 -0.118 0.000 2.131 376 L HA 0.033 4.371 4.340 -0.003 0.000 0.206 376 L C 2.896 179.737 176.870 -0.048 0.000 1.087 376 L CA 0.893 55.687 54.840 -0.076 0.000 0.767 376 L CB -0.496 41.511 42.059 -0.088 0.000 0.917 376 L HN 0.049 nan 8.230 nan 0.000 0.441 377 A N 0.350 123.142 122.820 -0.047 0.000 1.972 377 A HA -0.160 4.158 4.320 -0.003 0.000 0.219 377 A C 2.495 180.070 177.584 -0.014 0.000 1.169 377 A CA 1.719 53.754 52.037 -0.003 0.000 0.635 377 A CB -0.537 18.505 19.000 0.070 0.000 0.810 377 A HN 0.398 nan 8.150 nan 0.000 0.446 378 A N -1.230 121.563 122.820 -0.046 0.000 2.014 378 A HA -0.085 4.233 4.320 -0.003 0.000 0.218 378 A C 2.216 179.782 177.584 -0.030 0.000 1.163 378 A CA 1.408 53.420 52.037 -0.040 0.000 0.652 378 A CB -1.144 17.819 19.000 -0.062 0.000 0.808 378 A HN 0.587 nan 8.150 nan 0.000 0.449 379 C N -0.614 118.668 119.300 -0.030 0.000 2.413 379 C HA -0.099 4.359 4.460 -0.003 0.000 0.276 379 C C 2.535 177.516 174.990 -0.014 0.000 1.248 379 C CA 1.090 60.097 59.018 -0.020 0.000 1.742 379 C CB -1.245 26.489 27.740 -0.011 0.000 2.017 379 C HN 0.637 nan 8.230 nan 0.000 0.481 380 I N 0.173 120.737 120.570 -0.011 0.000 2.235 380 I HA -0.102 4.066 4.170 -0.003 0.000 0.241 380 I C 2.388 178.501 176.117 -0.008 0.000 1.085 380 I CA 1.290 62.585 61.300 -0.007 0.000 1.378 380 I CB -0.383 37.614 38.000 -0.005 0.000 1.076 380 I HN 0.227 nan 8.210 nan 0.000 0.415 381 K N 0.841 121.237 120.400 -0.005 0.000 2.323 381 K HA 0.267 4.585 4.320 -0.003 0.000 0.197 381 K C 0.665 177.261 176.600 -0.007 0.000 1.043 381 K CA 0.714 56.999 56.287 -0.003 0.000 0.997 381 K CB 0.338 32.843 32.500 0.008 0.000 0.807 381 K HN 0.383 nan 8.250 nan 0.000 0.497 382 G N 1.712 110.505 108.800 -0.012 0.000 2.785 382 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.686 382 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.686 382 G C 0.186 175.078 174.900 -0.013 0.000 1.155 382 G CA -0.287 44.804 45.100 -0.015 0.000 0.760 382 G HN 0.105 nan 8.290 nan 0.000 0.624 383 L N 2.687 123.899 121.223 -0.018 0.000 2.042 383 L HA 0.090 4.428 4.340 -0.003 0.000 0.210 383 L C 0.574 177.439 176.870 -0.008 0.000 1.076 383 L CA 3.036 57.865 54.840 -0.020 0.000 0.749 383 L CB -0.940 41.104 42.059 -0.025 0.000 0.893 383 L HN 0.531 nan 8.230 nan 0.000 0.432 384 P HA -0.065 nan 4.420 nan 0.000 0.222 384 P C 0.404 177.708 177.300 0.007 0.000 1.147 384 P CA 1.449 64.549 63.100 -0.000 0.000 0.790 384 P CB -0.173 31.525 31.700 -0.003 0.000 0.780 385 N N -1.583 117.121 118.700 0.007 0.000 2.236 385 N HA 0.083 4.821 4.740 -0.003 0.000 0.196 385 N C -0.395 175.130 175.510 0.025 0.000 1.114 385 N CA -0.210 52.847 53.050 0.012 0.000 0.859 385 N CB 0.330 38.820 38.487 0.005 0.000 0.982 385 N HN -0.104 nan 8.380 nan 0.000 0.493 386 V N 2.651 122.587 119.914 0.037 0.000 2.521 386 V HA 0.013 4.131 4.120 -0.003 0.000 0.286 386 V C 0.226 176.382 176.094 0.103 0.000 1.034 386 V CA 0.053 62.400 62.300 0.077 0.000 1.045 386 V CB 0.681 32.550 31.823 0.077 0.000 0.974 386 V HN 0.236 nan 8.190 nan 0.000 0.480 387 Q N 4.052 123.912 119.800 0.100 0.000 2.240 387 Q HA 0.436 4.774 4.340 -0.003 0.000 0.260 387 Q C 0.840 176.865 176.000 0.042 0.000 1.018 387 Q CA -1.020 54.821 55.803 0.065 0.000 0.898 387 Q CB 1.337 30.082 28.738 0.011 0.000 1.301 387 Q HN 0.502 nan 8.270 nan 0.000 0.469 388 R N 1.209 121.669 120.500 -0.067 0.000 2.120 388 R HA -0.114 4.224 4.340 -0.003 0.000 0.234 388 R C 1.694 177.708 176.300 -0.477 0.000 1.123 388 R CA 2.168 58.052 56.100 -0.359 0.000 0.975 388 R CB -0.548 29.645 30.300 -0.180 0.000 0.866 388 R HN 0.731 nan 8.270 nan 0.000 0.446 389 S N -0.329 115.241 115.700 -0.217 0.000 2.481 389 S HA -0.042 4.426 4.470 -0.003 0.000 0.231 389 S C 1.081 175.604 174.600 -0.128 0.000 0.996 389 S CA 0.915 59.024 58.200 -0.151 0.000 0.942 389 S CB -0.069 63.086 63.200 -0.074 0.000 0.768 389 S HN 0.288 nan 8.310 nan 0.000 0.520 390 D N 0.859 121.199 120.400 -0.100 0.000 2.312 390 D HA 0.119 4.757 4.640 -0.003 0.000 0.211 390 D C 0.413 176.762 176.300 0.082 0.000 0.964 390 D CA 0.742 54.750 54.000 0.013 0.000 0.877 390 D CB 0.073 40.936 40.800 0.105 0.000 0.924 390 D HN 0.742 nan 8.370 nan 0.000 0.515 391 Y N -1.878 118.426 120.300 0.005 0.000 2.677 391 Y HA 0.594 5.142 4.550 -0.003 0.000 0.334 391 Y C -1.159 174.782 175.900 0.067 0.000 1.154 391 Y CA -1.456 56.654 58.100 0.016 0.000 1.070 391 Y CB 0.749 39.195 38.460 -0.023 0.000 1.294 391 Y HN -0.369 nan 8.280 nan 0.000 0.475 392 L N 2.546 123.954 121.223 0.308 0.000 2.331 392 L HA 0.454 4.793 4.340 -0.003 0.000 0.275 392 L C -0.378 176.701 176.870 0.348 0.000 1.022 392 L CA -1.155 53.847 54.840 0.271 0.000 0.812 392 L CB 1.640 43.907 42.059 0.347 0.000 1.257 392 L HN 0.884 nan 8.230 nan 0.000 0.435 393 N N -0.502 118.359 118.700 0.268 0.000 2.354 393 N HA 0.052 4.790 4.740 -0.003 0.000 0.246 393 N C 0.661 176.216 175.510 0.075 0.000 1.285 393 N CA -0.176 52.995 53.050 0.202 0.000 0.925 393 N CB 0.243 38.876 38.487 0.244 0.000 1.174 393 N HN 0.569 nan 8.380 nan 0.000 0.478 394 T N -0.209 114.214 114.554 -0.218 0.000 2.665 394 T HA -0.149 4.200 4.350 -0.003 0.000 0.268 394 T C 1.215 175.784 174.700 -0.218 0.000 1.035 394 T CA 1.717 63.606 62.100 -0.352 0.000 1.151 394 T CB -0.689 67.701 68.868 -0.796 0.000 0.862 394 T HN 0.511 nan 8.240 nan 0.000 0.438 395 F N 1.354 121.407 119.950 0.172 0.000 2.128 395 F HA 0.079 4.604 4.527 -0.003 0.000 0.295 395 F C 2.584 178.459 175.800 0.125 0.000 1.100 395 F CA 0.611 58.691 58.000 0.135 0.000 1.260 395 F CB -0.629 38.442 39.000 0.118 0.000 1.009 395 F HN 0.130 nan 8.300 nan 0.000 0.476 396 E N 0.123 120.505 120.200 0.302 0.000 2.070 396 E HA -0.257 4.091 4.350 -0.003 0.000 0.197 396 E C 1.980 178.699 176.600 0.198 0.000 1.004 396 E CA 1.705 58.236 56.400 0.217 0.000 0.805 396 E CB -0.412 29.416 29.700 0.213 0.000 0.744 396 E HN 0.403 nan 8.360 nan 0.000 0.451 397 F N 0.737 120.736 119.950 0.080 0.000 2.146 397 F HA -0.162 4.363 4.527 -0.003 0.000 0.298 397 F C 2.136 177.963 175.800 0.046 0.000 1.096 397 F CA 1.094 59.135 58.000 0.068 0.000 1.275 397 F CB 0.017 39.057 39.000 0.068 0.000 1.008 397 F HN -0.038 nan 8.300 nan 0.000 0.480 398 M N 0.052 119.677 119.600 0.041 0.000 2.159 398 M HA -0.211 4.267 4.480 -0.003 0.000 0.263 398 M C 1.869 178.119 176.300 -0.083 0.000 1.063 398 M CA 1.373 56.645 55.300 -0.046 0.000 1.110 398 M CB -1.300 31.343 32.600 0.072 0.000 1.374 398 M HN 0.162 nan 8.290 nan 0.000 0.411 399 D N 0.060 120.445 120.400 -0.025 0.000 2.097 399 D HA -0.158 4.480 4.640 -0.003 0.000 0.197 399 D C 1.966 178.200 176.300 -0.111 0.000 0.984 399 D CA 1.186 55.164 54.000 -0.036 0.000 0.826 399 D CB 0.047 40.856 40.800 0.014 0.000 0.973 399 D HN 0.159 nan 8.370 nan 0.000 0.460 400 K N 0.986 121.284 120.400 -0.171 0.000 2.032 400 K HA -0.088 4.230 4.320 -0.003 0.000 0.209 400 K C 2.298 178.725 176.600 -0.289 0.000 1.048 400 K CA 0.857 56.986 56.287 -0.262 0.000 0.927 400 K CB -0.584 31.728 32.500 -0.313 0.000 0.712 400 K HN 0.104 nan 8.250 nan 0.000 0.441 401 L N -0.524 120.470 121.223 -0.383 0.000 2.042 401 L HA -0.129 4.209 4.340 -0.003 0.000 0.210 401 L C 2.428 179.188 176.870 -0.184 0.000 1.076 401 L CA 1.476 56.126 54.840 -0.318 0.000 0.749 401 L CB -1.067 40.767 42.059 -0.376 0.000 0.893 401 L HN 0.459 nan 8.230 nan 0.000 0.432 402 G N 0.029 108.748 108.800 -0.135 0.000 2.514 402 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.217 402 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.217 402 G C 1.338 176.217 174.900 -0.036 0.000 1.198 402 G CA 0.982 46.052 45.100 -0.050 0.000 0.780 402 G HN 0.454 nan 8.290 nan 0.000 0.565 403 E N 0.634 120.793 120.200 -0.069 0.000 2.021 403 E HA -0.194 4.154 4.350 -0.003 0.000 0.200 403 E C 2.412 178.967 176.600 -0.076 0.000 1.015 403 E CA 1.339 57.700 56.400 -0.064 0.000 0.824 403 E CB -0.402 29.241 29.700 -0.095 0.000 0.762 403 E HN 0.553 nan 8.360 nan 0.000 0.454 404 N N 0.555 119.185 118.700 -0.116 0.000 2.149 404 N HA -0.179 4.560 4.740 -0.003 0.000 0.188 404 N C 1.934 177.370 175.510 -0.124 0.000 1.019 404 N CA 0.529 53.510 53.050 -0.115 0.000 0.857 404 N CB -0.125 38.284 38.487 -0.130 0.000 0.997 404 N HN 0.020 nan 8.380 nan 0.000 0.426 405 L N 2.168 123.300 121.223 -0.151 0.000 2.012 405 L HA -0.174 4.165 4.340 -0.003 0.000 0.210 405 L C 2.195 178.916 176.870 -0.248 0.000 1.073 405 L CA 1.795 56.498 54.840 -0.229 0.000 0.748 405 L CB -0.614 41.290 42.059 -0.258 0.000 0.891 405 L HN 0.024 nan 8.230 nan 0.000 0.431 406 K N -0.713 119.604 120.400 -0.139 0.000 2.032 406 K HA -0.191 4.127 4.320 -0.003 0.000 0.209 406 K C 1.992 178.568 176.600 -0.040 0.000 1.048 406 K CA 1.444 57.697 56.287 -0.058 0.000 0.927 406 K CB -0.290 32.284 32.500 0.122 0.000 0.712 406 K HN 0.450 nan 8.250 nan 0.000 0.441 407 A N 1.746 124.544 122.820 -0.037 0.000 1.883 407 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 407 A C 2.049 179.619 177.584 -0.023 0.000 1.186 407 A CA 1.768 53.792 52.037 -0.022 0.000 0.624 407 A CB -0.497 18.487 19.000 -0.027 0.000 0.822 407 A HN 0.308 nan 8.150 nan 0.000 0.444 408 K N -0.694 119.671 120.400 -0.059 0.000 2.063 408 K HA -0.118 4.200 4.320 -0.003 0.000 0.208 408 K C 1.930 178.540 176.600 0.016 0.000 1.048 408 K CA 1.621 57.878 56.287 -0.051 0.000 0.928 408 K CB -0.384 32.035 32.500 -0.136 0.000 0.713 408 K HN 0.548 nan 8.250 nan 0.000 0.442 409 L N -0.038 121.169 121.223 -0.026 0.000 2.072 409 L HA -0.120 4.219 4.340 -0.003 0.000 0.205 409 L C 2.566 179.508 176.870 0.121 0.000 1.079 409 L CA 0.962 55.855 54.840 0.089 0.000 0.752 409 L CB -0.560 41.474 42.059 -0.041 0.000 0.906 409 L HN 0.137 nan 8.230 nan 0.000 0.436 410 A N -0.049 122.809 122.820 0.063 0.000 1.859 410 A HA -0.335 3.983 4.320 -0.003 0.000 0.217 410 A C 2.291 179.905 177.584 0.049 0.000 1.198 410 A CA 2.200 54.271 52.037 0.056 0.000 0.629 410 A CB -0.821 18.203 19.000 0.041 0.000 0.830 410 A HN 0.490 nan 8.150 nan 0.000 0.446 411 Q N -0.555 119.274 119.800 0.048 0.000 2.152 411 Q HA -0.032 4.307 4.340 -0.003 0.000 0.206 411 Q C 1.114 177.138 176.000 0.041 0.000 0.985 411 Q CA 1.103 56.930 55.803 0.040 0.000 0.863 411 Q CB -0.273 28.488 28.738 0.038 0.000 0.904 411 Q HN 0.706 nan 8.270 nan 0.000 0.422 412 A N 0.000 122.868 122.820 0.080 0.000 2.254 412 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 412 A CA 0.000 52.047 52.037 0.016 0.000 0.836 412 A CB 0.000 19.099 19.000 0.165 0.000 0.831 412 A HN 0.000 nan 8.150 nan 0.000 0.486