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 3hwx_1_I DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYXXMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN GGQIFSLLPT PQSERERFYL MPQNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.044 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 S N 2.777 118.474 115.700 -0.005 0.000 2.898 2 S HA 0.191 4.663 4.470 0.003 0.000 0.324 2 S C 1.126 175.743 174.600 0.029 0.000 1.171 2 S CA -0.228 57.978 58.200 0.011 0.000 1.288 2 S CB -0.339 62.875 63.200 0.023 0.000 1.490 2 S HN 0.310 nan 8.310 nan 0.000 0.570 3 V N 4.992 124.911 119.914 0.008 0.000 2.251 3 V HA -0.289 3.833 4.120 0.003 0.000 0.259 3 V C 2.708 178.844 176.094 0.069 0.000 1.078 3 V CA 2.546 64.866 62.300 0.033 0.000 1.072 3 V CB -1.719 30.103 31.823 -0.001 0.000 0.681 3 V HN 0.896 nan 8.190 nan 0.000 0.454 4 S N -0.467 115.248 115.700 0.026 0.000 2.393 4 S HA -0.349 4.122 4.470 0.003 0.000 0.235 4 S C 2.000 176.598 174.600 -0.003 0.000 1.061 4 S CA 2.381 60.578 58.200 -0.006 0.000 1.129 4 S CB -0.517 62.682 63.200 -0.001 0.000 1.011 4 S HN 0.777 nan 8.310 nan 0.000 0.436 5 A N -0.565 122.276 122.820 0.034 0.000 2.014 5 A HA 0.109 4.430 4.320 0.003 0.000 0.218 5 A C 1.916 179.544 177.584 0.073 0.000 1.163 5 A CA 1.254 53.315 52.037 0.040 0.000 0.652 5 A CB -0.716 18.314 19.000 0.050 0.000 0.808 5 A HN 0.692 nan 8.150 nan 0.000 0.449 6 F N 1.212 121.141 119.950 -0.036 0.000 2.187 6 F HA -0.086 4.442 4.527 0.002 0.000 0.295 6 F C 1.908 177.712 175.800 0.007 0.000 1.091 6 F CA 1.397 59.366 58.000 -0.051 0.000 1.308 6 F CB -0.243 38.677 39.000 -0.133 0.000 1.030 6 F HN 0.164 nan 8.300 nan 0.000 0.487 7 N N 1.435 120.142 118.700 0.012 0.000 2.023 7 N HA -0.268 4.473 4.740 0.003 0.000 0.200 7 N C 1.892 177.354 175.510 -0.081 0.000 1.048 7 N CA 2.242 55.279 53.050 -0.022 0.000 0.872 7 N CB -0.800 37.663 38.487 -0.041 0.000 1.070 7 N HN 0.333 nan 8.380 nan 0.000 0.441 8 R N 0.589 121.018 120.500 -0.119 0.000 2.165 8 R HA -0.150 4.192 4.340 0.003 0.000 0.254 8 R C 2.148 178.442 176.300 -0.009 0.000 1.153 8 R CA 1.349 57.398 56.100 -0.086 0.000 0.971 8 R CB -0.301 29.961 30.300 -0.064 0.000 0.878 8 R HN 0.406 nan 8.270 nan 0.000 0.449 9 R N -0.279 120.192 120.500 -0.048 0.000 2.066 9 R HA -0.098 4.244 4.340 0.003 0.000 0.224 9 R C 2.111 178.468 176.300 0.095 0.000 1.122 9 R CA 0.802 56.915 56.100 0.021 0.000 0.974 9 R CB -0.689 29.622 30.300 0.018 0.000 0.871 9 R HN 0.449 nan 8.270 nan 0.000 0.435 10 W N 2.266 123.328 121.300 -0.397 0.000 2.290 10 W HA -0.332 4.329 4.660 0.001 0.000 0.318 10 W C 1.907 178.500 176.519 0.123 0.000 1.248 10 W CA 2.522 59.746 57.345 -0.202 0.000 1.263 10 W CB -0.271 28.965 29.460 -0.373 0.000 1.147 10 W HN 0.138 nan 8.180 nan 0.000 0.494 11 A N 0.486 123.527 122.820 0.369 0.000 1.898 11 A HA -0.014 4.307 4.320 0.003 0.000 0.216 11 A C 2.163 179.877 177.584 0.215 0.000 1.181 11 A CA 2.612 54.849 52.037 0.333 0.000 0.620 11 A CB -1.330 17.794 19.000 0.207 0.000 0.819 11 A HN 0.349 nan 8.150 nan 0.000 0.442 12 A N -0.702 122.243 122.820 0.208 0.000 2.015 12 A HA 0.080 4.402 4.320 0.003 0.000 0.219 12 A C 2.182 179.980 177.584 0.356 0.000 1.163 12 A CA 1.576 53.771 52.037 0.263 0.000 0.646 12 A CB -0.682 18.458 19.000 0.234 0.000 0.806 12 A HN 0.330 nan 8.150 nan 0.000 0.448 13 V N 0.271 120.376 119.914 0.320 0.000 2.307 13 V HA -0.252 3.870 4.120 0.003 0.000 0.245 13 V C 2.399 178.529 176.094 0.059 0.000 1.045 13 V CA 1.937 64.358 62.300 0.201 0.000 1.024 13 V CB -0.656 31.186 31.823 0.031 0.000 0.651 13 V HN 0.586 nan 8.190 nan 0.000 0.449 14 I N -0.351 120.222 120.570 0.005 0.000 2.069 14 I HA -0.337 3.835 4.170 0.003 0.000 0.237 14 I C 2.395 178.589 176.117 0.128 0.000 1.053 14 I CA 1.891 63.199 61.300 0.013 0.000 1.311 14 I CB -0.575 37.442 38.000 0.029 0.000 1.030 14 I HN 0.226 nan 8.210 nan 0.000 0.398 15 L N 0.365 121.704 121.223 0.193 0.000 2.043 15 L HA -0.264 4.077 4.340 0.003 0.000 0.212 15 L C 2.601 179.684 176.870 0.354 0.000 1.075 15 L CA 1.805 56.814 54.840 0.282 0.000 0.752 15 L CB -0.561 41.687 42.059 0.314 0.000 0.891 15 L HN 0.275 nan 8.230 nan 0.000 0.432 16 E N -0.072 120.308 120.200 0.300 0.000 2.072 16 E HA -0.175 4.177 4.350 0.003 0.000 0.191 16 E C 2.179 178.905 176.600 0.210 0.000 0.985 16 E CA 1.267 57.808 56.400 0.235 0.000 0.801 16 E CB -0.215 29.655 29.700 0.282 0.000 0.750 16 E HN 0.352 nan 8.360 nan 0.000 0.452 17 A N 0.876 123.873 122.820 0.296 0.000 1.958 17 A HA -0.216 4.105 4.320 0.003 0.000 0.221 17 A C 2.291 180.050 177.584 0.292 0.000 1.178 17 A CA 1.781 54.014 52.037 0.327 0.000 0.642 17 A CB -0.882 18.206 19.000 0.145 0.000 0.816 17 A HN 0.374 nan 8.150 nan 0.000 0.453 18 L N -0.981 120.396 121.223 0.258 0.000 2.027 18 L HA -0.166 4.176 4.340 0.003 0.000 0.206 18 L C 2.750 179.775 176.870 0.258 0.000 1.074 18 L CA 1.750 56.757 54.840 0.278 0.000 0.745 18 L CB -1.416 40.794 42.059 0.252 0.000 0.898 18 L HN 0.375 nan 8.230 nan 0.000 0.433 19 T N -0.243 114.425 114.554 0.191 0.000 2.718 19 T HA -0.245 4.107 4.350 0.003 0.000 0.266 19 T C 1.922 176.584 174.700 -0.063 0.000 1.033 19 T CA 1.393 63.491 62.100 -0.003 0.000 1.151 19 T CB -0.325 68.431 68.868 -0.186 0.000 0.853 19 T HN 0.276 nan 8.240 nan 0.000 0.466 20 R N 0.857 121.300 120.500 -0.096 0.000 2.148 20 R HA -0.005 4.336 4.340 0.003 0.000 0.227 20 R C 1.301 177.396 176.300 -0.341 0.000 1.103 20 R CA 0.930 56.876 56.100 -0.257 0.000 0.983 20 R CB -0.593 29.515 30.300 -0.319 0.000 0.874 20 R HN 0.633 nan 8.270 nan 0.000 0.451 21 H N -0.205 118.872 119.070 0.012 0.000 2.605 21 H HA 0.210 4.768 4.556 0.003 0.000 0.308 21 H C 0.692 176.031 175.328 0.018 0.000 1.080 21 H CA 0.465 56.523 56.048 0.016 0.000 1.119 21 H CB 0.236 30.014 29.762 0.027 0.000 1.479 21 H HN 0.382 nan 8.280 nan 0.000 0.537 22 G N 1.060 109.893 108.800 0.055 0.000 2.143 22 G HA2 -0.290 3.672 3.960 0.003 0.000 0.248 22 G HA3 -0.290 3.672 3.960 0.003 0.000 0.248 22 G C 0.274 175.225 174.900 0.085 0.000 0.991 22 G CA 0.213 45.340 45.100 0.046 0.000 0.689 22 G HN 0.264 nan 8.290 nan 0.000 0.522 23 V N 0.303 120.299 119.914 0.136 0.000 2.415 23 V HA 0.419 4.541 4.120 0.003 0.000 0.267 23 V C 1.423 177.651 176.094 0.224 0.000 1.042 23 V CA 1.054 63.476 62.300 0.202 0.000 1.000 23 V CB 1.100 33.095 31.823 0.288 0.000 1.015 23 V HN 0.483 nan 8.190 nan 0.000 0.478 24 R N 2.879 123.469 120.500 0.150 0.000 2.098 24 R HA 0.199 4.540 4.340 0.003 0.000 0.203 24 R C 0.869 177.205 176.300 0.059 0.000 1.166 24 R CA 0.304 56.433 56.100 0.047 0.000 1.090 24 R CB 0.246 30.467 30.300 -0.132 0.000 0.992 24 R HN 0.752 nan 8.270 nan 0.000 0.477 25 H N 0.268 119.414 119.070 0.127 0.000 2.683 25 H HA 0.281 4.838 4.556 0.002 0.000 0.339 25 H C -0.628 174.707 175.328 0.012 0.000 1.081 25 H CA 0.224 56.333 56.048 0.102 0.000 1.432 25 H CB 1.167 30.982 29.762 0.087 0.000 1.462 25 H HN 0.197 nan 8.280 nan 0.000 0.557 26 I N 2.647 123.277 120.570 0.100 0.000 2.607 26 I HA 0.192 4.363 4.170 0.003 0.000 0.290 26 I C -1.109 175.060 176.117 0.088 0.000 1.129 26 I CA -0.337 60.927 61.300 -0.060 0.000 1.042 26 I CB 1.030 38.776 38.000 -0.425 0.000 1.242 26 I HN 0.511 nan 8.210 nan 0.000 0.421 27 C N 7.681 127.019 119.300 0.064 0.000 2.319 27 C HA 0.638 5.100 4.460 0.003 0.000 0.323 27 C C -0.188 174.850 174.990 0.080 0.000 1.277 27 C CA -0.652 58.427 59.018 0.102 0.000 1.517 27 C CB 0.253 28.014 27.740 0.035 0.000 2.206 27 C HN 0.475 nan 8.230 nan 0.000 0.486 28 I N 3.158 123.794 120.570 0.110 0.000 2.436 28 I HA 0.612 4.784 4.170 0.003 0.000 0.289 28 I C 0.410 176.586 176.117 0.100 0.000 1.010 28 I CA -0.078 61.279 61.300 0.094 0.000 1.098 28 I CB 1.364 39.423 38.000 0.098 0.000 1.266 28 I HN 0.719 nan 8.210 nan 0.000 0.434 29 A N 7.837 130.708 122.820 0.085 0.000 2.294 29 A HA 0.920 5.242 4.320 0.003 0.000 0.330 29 A C -2.585 175.050 177.584 0.084 0.000 1.133 29 A CA -1.510 50.576 52.037 0.081 0.000 0.836 29 A CB 0.526 19.563 19.000 0.062 0.000 1.190 29 A HN 0.455 nan 8.150 nan 0.000 0.492 30 P HA 0.626 nan 4.420 nan 0.000 0.286 30 P C -0.086 177.262 177.300 0.081 0.000 1.261 30 P CA -0.051 63.101 63.100 0.087 0.000 0.821 30 P CB 1.716 33.472 31.700 0.094 0.000 1.013 31 G N -0.882 107.966 108.800 0.080 0.000 2.451 31 G HA2 0.325 4.287 3.960 0.003 0.000 0.292 31 G HA3 0.325 4.287 3.960 0.003 0.000 0.292 31 G C -0.034 174.922 174.900 0.093 0.000 1.427 31 G CA 0.006 45.154 45.100 0.081 0.000 0.792 31 G HN 0.389 nan 8.290 nan 0.000 0.498 32 S N -1.186 114.575 115.700 0.101 0.000 2.506 32 S HA 0.017 4.489 4.470 0.003 0.000 0.230 32 S C 2.127 176.765 174.600 0.064 0.000 1.066 32 S CA 0.945 59.226 58.200 0.135 0.000 0.940 32 S CB -0.102 63.198 63.200 0.167 0.000 0.818 32 S HN 0.490 nan 8.310 nan 0.000 0.518 33 R N 2.033 122.573 120.500 0.066 0.000 2.293 33 R HA 0.109 4.451 4.340 0.003 0.000 0.219 33 R C 1.452 177.781 176.300 0.048 0.000 1.091 33 R CA 1.488 57.624 56.100 0.060 0.000 1.004 33 R CB -0.515 29.843 30.300 0.098 0.000 0.865 33 R HN 0.483 nan 8.270 nan 0.000 0.469 34 S N -2.458 113.263 115.700 0.035 0.000 2.597 34 S HA 0.089 4.560 4.470 0.003 0.000 0.224 34 S C 1.176 175.742 174.600 -0.056 0.000 0.955 34 S CA -0.015 58.204 58.200 0.032 0.000 0.933 34 S CB 0.370 63.613 63.200 0.071 0.000 0.788 34 S HN 0.155 nan 8.310 nan 0.000 0.488 35 T N 4.061 118.529 114.554 -0.142 0.000 2.580 35 T HA -0.137 4.215 4.350 0.003 0.000 0.265 35 T C 1.741 176.322 174.700 -0.198 0.000 1.063 35 T CA 2.100 64.101 62.100 -0.165 0.000 1.170 35 T CB -0.692 67.943 68.868 -0.390 0.000 0.863 35 T HN 0.610 nan 8.240 nan 0.000 0.418 36 L N 0.087 121.089 121.223 -0.369 0.000 2.156 36 L HA 0.203 4.544 4.340 0.003 0.000 0.208 36 L C 2.366 179.137 176.870 -0.165 0.000 1.095 36 L CA 1.009 55.660 54.840 -0.314 0.000 0.770 36 L CB -1.157 40.625 42.059 -0.460 0.000 0.914 36 L HN 0.110 nan 8.230 nan 0.000 0.439 37 L N 0.209 121.347 121.223 -0.142 0.000 1.997 37 L HA -0.237 4.104 4.340 0.003 0.000 0.216 37 L C 2.687 179.581 176.870 0.040 0.000 1.074 37 L CA 2.106 56.973 54.840 0.046 0.000 0.763 37 L CB -1.087 41.047 42.059 0.126 0.000 0.890 37 L HN 0.326 nan 8.230 nan 0.000 0.434 38 T N -0.547 114.015 114.554 0.013 0.000 2.857 38 T HA -0.071 4.281 4.350 0.003 0.000 0.266 38 T C 1.812 176.528 174.700 0.026 0.000 1.048 38 T CA 0.619 62.737 62.100 0.030 0.000 1.139 38 T CB 0.009 68.896 68.868 0.031 0.000 0.874 38 T HN -0.007 nan 8.240 nan 0.000 0.455 39 L N 1.573 122.799 121.223 0.005 0.000 1.961 39 L HA 0.075 4.417 4.340 0.003 0.000 0.210 39 L C 2.874 179.773 176.870 0.048 0.000 1.072 39 L CA 1.934 56.781 54.840 0.012 0.000 0.749 39 L CB -1.653 40.398 42.059 -0.013 0.000 0.889 39 L HN 0.230 nan 8.230 nan 0.000 0.432 40 A N -0.689 122.170 122.820 0.065 0.000 1.917 40 A HA -0.245 4.076 4.320 0.003 0.000 0.219 40 A C 2.448 180.155 177.584 0.204 0.000 1.182 40 A CA 2.294 54.408 52.037 0.128 0.000 0.633 40 A CB -0.973 18.113 19.000 0.142 0.000 0.819 40 A HN 0.473 nan 8.150 nan 0.000 0.448 41 A N -0.461 122.472 122.820 0.188 0.000 1.902 41 A HA 0.163 4.485 4.320 0.003 0.000 0.217 41 A C 2.475 180.249 177.584 0.317 0.000 1.181 41 A CA 2.133 54.333 52.037 0.271 0.000 0.623 41 A CB -0.904 18.161 19.000 0.109 0.000 0.818 41 A HN 1.115 nan 8.150 nan 0.000 0.443 42 A N -0.407 122.465 122.820 0.085 0.000 1.968 42 A HA -0.061 4.260 4.320 0.003 0.000 0.217 42 A C 1.853 179.421 177.584 -0.027 0.000 1.169 42 A CA 1.327 53.286 52.037 -0.130 0.000 0.638 42 A CB -0.357 18.566 19.000 -0.128 0.000 0.812 42 A HN 0.618 nan 8.150 nan 0.000 0.446 43 E N 0.001 120.241 120.200 0.066 0.000 2.285 43 E HA -0.052 4.299 4.350 0.003 0.000 0.194 43 E C 0.271 176.938 176.600 0.112 0.000 0.997 43 E CA -0.141 56.301 56.400 0.070 0.000 0.845 43 E CB -0.031 29.705 29.700 0.061 0.000 0.782 43 E HN 0.453 nan 8.360 nan 0.000 0.491 44 N N 1.305 120.124 118.700 0.199 0.000 2.411 44 N HA -0.020 4.721 4.740 0.003 0.000 0.259 44 N C 0.581 176.173 175.510 0.136 0.000 1.103 44 N CA 0.086 53.234 53.050 0.163 0.000 0.954 44 N CB 1.249 39.878 38.487 0.237 0.000 1.085 44 N HN -0.039 nan 8.380 nan 0.000 0.485 45 S N 2.467 118.185 115.700 0.030 0.000 2.603 45 S HA 0.023 4.495 4.470 0.003 0.000 0.220 45 S C 1.587 176.128 174.600 -0.098 0.000 0.967 45 S CA 0.291 58.507 58.200 0.026 0.000 0.920 45 S CB 0.041 63.248 63.200 0.012 0.000 0.773 45 S HN 0.540 nan 8.310 nan 0.000 0.529 46 A N 0.356 122.995 122.820 -0.301 0.000 2.172 46 A HA 0.315 4.637 4.320 0.003 0.000 0.216 46 A C 0.238 177.531 177.584 -0.486 0.000 1.154 46 A CA 0.422 52.177 52.037 -0.471 0.000 0.701 46 A CB -0.484 18.107 19.000 -0.682 0.000 0.789 46 A HN 0.548 nan 8.150 nan 0.000 0.465 47 F N -1.095 118.772 119.950 -0.137 0.000 2.492 47 F HA 0.581 5.109 4.527 0.002 0.000 0.327 47 F C 0.107 175.592 175.800 -0.525 0.000 1.079 47 F CA -1.627 56.164 58.000 -0.349 0.000 0.967 47 F CB 1.156 39.856 39.000 -0.498 0.000 1.169 47 F HN -0.146 nan 8.300 nan 0.000 0.472 48 I N 2.552 122.970 120.570 -0.254 0.000 2.342 48 I HA 0.226 4.398 4.170 0.003 0.000 0.291 48 I C -0.745 175.135 176.117 -0.395 0.000 1.010 48 I CA -0.433 60.689 61.300 -0.296 0.000 1.308 48 I CB 0.604 38.459 38.000 -0.241 0.000 1.400 48 I HN 0.518 nan 8.210 nan 0.000 0.488 49 H N 4.812 123.811 119.070 -0.119 0.000 2.476 49 H HA 0.477 5.034 4.556 0.002 0.000 0.328 49 H C -0.693 174.505 175.328 -0.218 0.000 1.073 49 H CA -0.524 55.479 56.048 -0.075 0.000 1.229 49 H CB 0.771 30.533 29.762 0.000 0.000 1.432 49 H HN 0.455 nan 8.280 nan 0.000 0.477 50 H N 1.386 120.543 119.070 0.145 0.000 2.524 50 H HA 0.394 4.952 4.556 0.002 0.000 0.353 50 H C -0.075 175.309 175.328 0.094 0.000 1.136 50 H CA -0.755 55.350 56.048 0.096 0.000 1.193 50 H CB 2.151 31.939 29.762 0.044 0.000 1.558 50 H HN 0.724 nan 8.280 nan 0.000 0.515 51 T N -0.445 114.234 114.554 0.208 0.000 2.908 51 T HA 0.500 4.851 4.350 0.003 0.000 0.290 51 T C -0.786 174.042 174.700 0.213 0.000 1.034 51 T CA -0.727 61.482 62.100 0.182 0.000 1.010 51 T CB 2.671 71.637 68.868 0.164 0.000 1.068 51 T HN 0.723 nan 8.240 nan 0.000 0.481 52 H N 0.609 119.690 119.070 0.020 0.000 3.060 52 H HA 0.399 4.957 4.556 0.002 0.000 0.330 52 H C -0.244 175.020 175.328 -0.106 0.000 1.305 52 H CA -1.510 54.465 56.048 -0.121 0.000 1.209 52 H CB 0.971 30.598 29.762 -0.225 0.000 1.913 52 H HN 0.607 nan 8.280 nan 0.000 0.534 53 F N -0.501 119.220 119.950 -0.380 0.000 2.530 53 F HA 0.270 4.798 4.527 0.003 0.000 0.292 53 F C 0.509 176.147 175.800 -0.270 0.000 1.109 53 F CA -0.250 57.608 58.000 -0.237 0.000 1.450 53 F CB 0.241 39.155 39.000 -0.144 0.000 1.114 53 F HN 0.300 nan 8.300 nan 0.000 0.560 54 D N 1.421 121.230 120.400 -0.984 0.000 2.347 54 D HA 0.112 4.753 4.640 0.003 0.000 0.235 54 D C 0.687 176.903 176.300 -0.141 0.000 1.149 54 D CA 0.045 53.816 54.000 -0.381 0.000 0.850 54 D CB 1.395 41.987 40.800 -0.347 0.000 1.061 54 D HN 0.160 nan 8.370 nan 0.000 0.487 55 E N 2.594 122.784 120.200 -0.017 0.000 2.072 55 E HA -0.114 4.237 4.350 0.003 0.000 0.191 55 E C 1.831 178.469 176.600 0.064 0.000 0.985 55 E CA 0.756 57.175 56.400 0.033 0.000 0.801 55 E CB 0.095 29.825 29.700 0.050 0.000 0.750 55 E HN 0.431 nan 8.360 nan 0.000 0.452 56 R N 0.149 120.703 120.500 0.089 0.000 2.096 56 R HA -0.150 4.191 4.340 0.003 0.000 0.240 56 R C 2.285 178.728 176.300 0.239 0.000 1.139 56 R CA 1.759 57.947 56.100 0.146 0.000 0.952 56 R CB -0.631 29.768 30.300 0.164 0.000 0.854 56 R HN 0.318 nan 8.270 nan 0.000 0.436 57 G N 1.036 109.942 108.800 0.177 0.000 2.422 57 G HA2 -0.260 3.701 3.960 0.003 0.000 0.218 57 G HA3 -0.260 3.701 3.960 0.003 0.000 0.218 57 G C 1.344 176.317 174.900 0.122 0.000 1.146 57 G CA 0.547 45.745 45.100 0.162 0.000 0.769 57 G HN 0.283 nan 8.290 nan 0.000 0.547 58 L N 1.344 122.655 121.223 0.146 0.000 2.012 58 L HA 0.068 4.409 4.340 0.003 0.000 0.210 58 L C 2.926 179.789 176.870 -0.012 0.000 1.073 58 L CA 2.249 57.125 54.840 0.059 0.000 0.748 58 L CB -0.808 41.291 42.059 0.066 0.000 0.891 58 L HN 0.196 nan 8.230 nan 0.000 0.431 59 G N -2.527 106.257 108.800 -0.027 0.000 2.432 59 G HA2 -0.286 3.675 3.960 0.003 0.000 0.219 59 G HA3 -0.286 3.675 3.960 0.003 0.000 0.219 59 G C 1.253 176.033 174.900 -0.200 0.000 1.135 59 G CA 1.089 46.109 45.100 -0.133 0.000 0.767 59 G HN 0.546 nan 8.290 nan 0.000 0.550 60 H N -0.904 118.109 119.070 -0.094 0.000 2.372 60 H HA 0.115 4.673 4.556 0.003 0.000 0.301 60 H C 2.297 177.519 175.328 -0.176 0.000 1.065 60 H CA 0.825 56.800 56.048 -0.121 0.000 1.364 60 H CB -0.109 29.585 29.762 -0.113 0.000 1.406 60 H HN 0.247 nan 8.280 nan 0.000 0.521 61 L N 0.989 122.164 121.223 -0.079 0.000 1.997 61 L HA -0.272 4.069 4.340 0.003 0.000 0.216 61 L C 2.375 179.102 176.870 -0.239 0.000 1.074 61 L CA 2.068 56.785 54.840 -0.205 0.000 0.763 61 L CB -1.040 40.878 42.059 -0.234 0.000 0.890 61 L HN 0.290 nan 8.230 nan 0.000 0.434 62 A N -0.777 121.933 122.820 -0.184 0.000 1.873 62 A HA -0.270 4.051 4.320 0.003 0.000 0.218 62 A C 2.284 179.768 177.584 -0.165 0.000 1.193 62 A CA 2.224 54.159 52.037 -0.170 0.000 0.629 62 A CB -1.239 17.696 19.000 -0.109 0.000 0.826 62 A HN 0.530 nan 8.150 nan 0.000 0.447 63 L N 0.079 121.214 121.223 -0.147 0.000 1.978 63 L HA -0.162 4.180 4.340 0.003 0.000 0.218 63 L C 2.535 179.323 176.870 -0.137 0.000 1.075 63 L CA 2.704 57.471 54.840 -0.121 0.000 0.767 63 L CB -1.239 40.756 42.059 -0.107 0.000 0.890 63 L HN 0.378 nan 8.230 nan 0.000 0.434 64 G N -0.667 108.026 108.800 -0.179 0.000 2.547 64 G HA2 -0.325 3.636 3.960 0.003 0.000 0.221 64 G HA3 -0.325 3.636 3.960 0.003 0.000 0.221 64 G C 1.617 176.340 174.900 -0.296 0.000 1.140 64 G CA 1.574 46.515 45.100 -0.264 0.000 0.760 64 G HN 0.470 nan 8.290 nan 0.000 0.583 65 L N 0.157 121.195 121.223 -0.307 0.000 2.131 65 L HA 0.139 4.480 4.340 0.003 0.000 0.206 65 L C 3.353 180.078 176.870 -0.242 0.000 1.087 65 L CA 0.797 55.411 54.840 -0.376 0.000 0.767 65 L CB -0.269 41.491 42.059 -0.499 0.000 0.917 65 L HN 0.302 nan 8.230 nan 0.000 0.441 66 A N -0.235 122.489 122.820 -0.161 0.000 1.930 66 A HA -0.202 4.120 4.320 0.003 0.000 0.217 66 A C 2.330 179.872 177.584 -0.069 0.000 1.175 66 A CA 1.447 53.435 52.037 -0.082 0.000 0.627 66 A CB -0.300 18.664 19.000 -0.060 0.000 0.815 66 A HN 0.244 nan 8.150 nan 0.000 0.443 67 K N -0.263 120.081 120.400 -0.093 0.000 1.978 67 K HA -0.126 4.196 4.320 0.003 0.000 0.214 67 K C 1.937 178.502 176.600 -0.059 0.000 1.049 67 K CA 1.911 58.170 56.287 -0.047 0.000 0.939 67 K CB -0.392 32.074 32.500 -0.057 0.000 0.721 67 K HN 0.253 nan 8.250 nan 0.000 0.441 68 V N 1.181 120.953 119.914 -0.238 0.000 2.216 68 V HA -0.285 3.836 4.120 0.003 0.000 0.243 68 V C 2.401 178.459 176.094 -0.060 0.000 1.044 68 V CA 2.333 64.496 62.300 -0.228 0.000 0.995 68 V CB -0.844 30.761 31.823 -0.363 0.000 0.633 68 V HN 0.573 nan 8.190 nan 0.000 0.446 69 S N -1.059 114.601 115.700 -0.067 0.000 2.419 69 S HA -0.240 4.231 4.470 0.003 0.000 0.233 69 S C 1.346 175.959 174.600 0.021 0.000 1.016 69 S CA 1.300 59.503 58.200 0.004 0.000 0.974 69 S CB -0.302 62.932 63.200 0.058 0.000 0.786 69 S HN 0.577 nan 8.310 nan 0.000 0.492 70 K N -0.619 119.787 120.400 0.011 0.000 3.547 70 K HA -0.180 4.142 4.320 0.003 0.000 0.309 70 K C -0.224 176.385 176.600 0.015 0.000 1.324 70 K CA 1.394 57.690 56.287 0.014 0.000 0.988 70 K CB -1.744 30.767 32.500 0.019 0.000 1.261 70 K HN 0.696 nan 8.250 nan 0.000 0.444 71 Q N 1.013 120.832 119.800 0.031 0.000 2.249 71 Q HA 0.338 4.680 4.340 0.003 0.000 0.226 71 Q C -2.288 173.736 176.000 0.041 0.000 0.983 71 Q CA -1.654 54.176 55.803 0.045 0.000 0.930 71 Q CB 0.520 29.303 28.738 0.075 0.000 1.193 71 Q HN 0.006 nan 8.270 nan 0.000 0.508 72 P HA 0.156 nan 4.420 nan 0.000 0.282 72 P C -1.133 176.205 177.300 0.064 0.000 1.249 72 P CA -0.269 62.858 63.100 0.046 0.000 0.806 72 P CB 0.948 32.676 31.700 0.048 0.000 0.984 73 V N 1.881 121.818 119.914 0.039 0.000 2.513 73 V HA 0.624 4.745 4.120 0.003 0.000 0.299 73 V C 0.524 176.629 176.094 0.018 0.000 1.035 73 V CA -0.769 61.557 62.300 0.042 0.000 0.889 73 V CB 1.400 33.221 31.823 -0.002 0.000 0.988 73 V HN 0.753 nan 8.190 nan 0.000 0.440 74 A N 4.204 127.027 122.820 0.004 0.000 2.269 74 A HA 0.924 5.246 4.320 0.003 0.000 0.319 74 A C -0.749 176.818 177.584 -0.027 0.000 1.110 74 A CA -0.545 51.475 52.037 -0.029 0.000 0.847 74 A CB 1.447 20.386 19.000 -0.103 0.000 1.161 74 A HN 0.776 nan 8.150 nan 0.000 0.497 75 V N 1.211 121.120 119.914 -0.009 0.000 2.817 75 V HA 0.364 4.485 4.120 0.003 0.000 0.303 75 V C -1.048 175.068 176.094 0.037 0.000 1.151 75 V CA -0.075 62.233 62.300 0.012 0.000 0.929 75 V CB 1.761 33.591 31.823 0.012 0.000 1.030 75 V HN 0.763 nan 8.190 nan 0.000 0.427 76 I N 5.107 125.705 120.570 0.046 0.000 2.406 76 I HA 0.723 4.895 4.170 0.003 0.000 0.290 76 I C -0.471 175.693 176.117 0.078 0.000 0.999 76 I CA -0.711 60.630 61.300 0.069 0.000 1.124 76 I CB 1.959 39.996 38.000 0.062 0.000 1.289 76 I HN 0.550 nan 8.210 nan 0.000 0.441 77 V N 1.596 121.566 119.914 0.094 0.000 3.102 77 V HA 0.615 4.736 4.120 0.003 0.000 0.312 77 V C -0.120 176.034 176.094 0.101 0.000 1.135 77 V CA -0.649 61.705 62.300 0.091 0.000 1.022 77 V CB 1.564 33.438 31.823 0.085 0.000 1.056 77 V HN 0.643 nan 8.190 nan 0.000 0.436 78 T N 1.405 116.013 114.554 0.090 0.000 2.754 78 T HA 0.415 4.767 4.350 0.003 0.000 0.286 78 T C 0.759 175.510 174.700 0.085 0.000 0.997 78 T CA 0.475 62.630 62.100 0.091 0.000 0.982 78 T CB 0.806 69.722 68.868 0.080 0.000 1.027 78 T HN 1.590 nan 8.240 nan 0.000 0.529 79 S N 0.506 116.254 115.700 0.080 0.000 2.617 79 S HA 0.582 5.053 4.470 0.003 0.000 0.255 79 S C 0.955 175.584 174.600 0.049 0.000 1.318 79 S CA -0.066 58.171 58.200 0.060 0.000 0.978 79 S CB -0.365 62.868 63.200 0.055 0.000 0.961 79 S HN 1.789 nan 8.310 nan 0.000 0.582 80 G N 0.216 109.037 108.800 0.034 0.000 2.615 80 G HA2 -0.210 3.752 3.960 0.003 0.000 0.218 80 G HA3 -0.210 3.752 3.960 0.003 0.000 0.218 80 G C 0.645 175.564 174.900 0.032 0.000 1.339 80 G CA 0.759 45.878 45.100 0.031 0.000 0.884 80 G HN 1.900 nan 8.290 nan 0.000 0.559 81 T N -1.151 113.427 114.554 0.040 0.000 2.977 81 T HA 0.242 4.593 4.350 0.003 0.000 0.271 81 T C 2.582 177.320 174.700 0.064 0.000 1.105 81 T CA 2.338 64.468 62.100 0.051 0.000 1.116 81 T CB -0.411 68.489 68.868 0.053 0.000 0.878 81 T HN 2.095 nan 8.240 nan 0.000 0.509 82 A N 1.230 124.086 122.820 0.061 0.000 1.948 82 A HA -0.027 4.294 4.320 0.003 0.000 0.220 82 A C 2.568 180.198 177.584 0.078 0.000 1.177 82 A CA 1.852 53.930 52.037 0.068 0.000 0.636 82 A CB -1.076 17.964 19.000 0.066 0.000 0.815 82 A HN 0.470 nan 8.150 nan 0.000 0.449 83 V N -0.669 119.288 119.914 0.072 0.000 2.407 83 V HA -0.124 3.997 4.120 0.003 0.000 0.245 83 V C 2.961 179.150 176.094 0.159 0.000 1.041 83 V CA 1.647 64.000 62.300 0.089 0.000 1.040 83 V CB -1.058 30.762 31.823 -0.005 0.000 0.671 83 V HN 0.597 nan 8.190 nan 0.000 0.455 84 A N -0.053 122.835 122.820 0.113 0.000 2.067 84 A HA -0.174 4.147 4.320 0.003 0.000 0.219 84 A C 2.021 179.714 177.584 0.181 0.000 1.158 84 A CA 1.466 53.604 52.037 0.168 0.000 0.661 84 A CB -0.629 18.437 19.000 0.110 0.000 0.801 84 A HN 0.587 nan 8.150 nan 0.000 0.452 85 N N 0.033 118.811 118.700 0.131 0.000 2.381 85 N HA -0.037 4.704 4.740 0.003 0.000 0.182 85 N C 1.382 176.939 175.510 0.078 0.000 1.025 85 N CA 0.840 53.958 53.050 0.112 0.000 0.888 85 N CB -0.163 38.381 38.487 0.094 0.000 0.965 85 N HN 0.519 nan 8.380 nan 0.000 0.438 86 L N -0.212 121.043 121.223 0.053 0.000 2.362 86 L HA -0.129 4.213 4.340 0.003 0.000 0.219 86 L C 2.117 178.871 176.870 -0.193 0.000 1.134 86 L CA 0.424 55.222 54.840 -0.069 0.000 0.807 86 L CB -0.471 41.552 42.059 -0.061 0.000 0.927 86 L HN 0.112 nan 8.230 nan 0.000 0.447 87 Y N 1.461 121.594 120.300 -0.279 0.000 2.165 87 Y HA -0.149 4.402 4.550 0.002 0.000 0.286 87 Y C -0.122 175.564 175.900 -0.356 0.000 1.155 87 Y CA 0.761 58.599 58.100 -0.436 0.000 1.164 87 Y CB -1.623 36.724 38.460 -0.189 0.000 0.978 87 Y HN 0.137 nan 8.280 nan 0.000 0.513 88 P HA -0.237 nan 4.420 nan 0.000 0.210 88 P C 1.700 178.853 177.300 -0.245 0.000 1.185 88 P CA 2.772 65.790 63.100 -0.137 0.000 0.924 88 P CB -0.362 31.346 31.700 0.014 0.000 0.786 89 A N -0.682 121.866 122.820 -0.454 0.000 1.884 89 A HA -0.263 4.059 4.320 0.003 0.000 0.219 89 A C 2.240 179.660 177.584 -0.273 0.000 1.197 89 A CA 2.317 54.052 52.037 -0.504 0.000 0.637 89 A CB -1.863 16.779 19.000 -0.596 0.000 0.827 89 A HN 0.201 nan 8.150 nan 0.000 0.450 90 L N -0.081 120.981 121.223 -0.268 0.000 1.963 90 L HA -0.231 4.111 4.340 0.003 0.000 0.220 90 L C 2.342 179.141 176.870 -0.119 0.000 1.076 90 L CA 2.404 57.116 54.840 -0.215 0.000 0.772 90 L CB -0.528 41.300 42.059 -0.385 0.000 0.892 90 L HN 0.494 nan 8.230 nan 0.000 0.435 91 I N -0.433 120.054 120.570 -0.139 0.000 2.113 91 I HA -0.400 3.771 4.170 0.003 0.000 0.242 91 I C 2.582 178.672 176.117 -0.044 0.000 1.057 91 I CA 1.974 63.205 61.300 -0.114 0.000 1.314 91 I CB -0.433 37.355 38.000 -0.352 0.000 1.022 91 I HN 0.478 nan 8.210 nan 0.000 0.408 92 E N 1.114 121.267 120.200 -0.078 0.000 2.077 92 E HA -0.213 4.139 4.350 0.003 0.000 0.193 92 E C 2.048 178.635 176.600 -0.022 0.000 0.989 92 E CA 1.656 58.033 56.400 -0.037 0.000 0.800 92 E CB -0.209 29.471 29.700 -0.033 0.000 0.746 92 E HN 0.456 nan 8.360 nan 0.000 0.452 93 A N 0.008 122.802 122.820 -0.044 0.000 2.019 93 A HA -0.025 4.297 4.320 0.003 0.000 0.219 93 A C 2.359 179.942 177.584 -0.001 0.000 1.164 93 A CA 1.564 53.584 52.037 -0.027 0.000 0.644 93 A CB -1.068 17.903 19.000 -0.049 0.000 0.805 93 A HN 0.411 nan 8.150 nan 0.000 0.449 94 G N -0.696 108.113 108.800 0.015 0.000 2.464 94 G HA2 0.028 3.989 3.960 0.003 0.000 0.217 94 G HA3 0.028 3.989 3.960 0.003 0.000 0.217 94 G C 1.448 176.366 174.900 0.030 0.000 1.138 94 G CA 0.848 45.970 45.100 0.038 0.000 0.793 94 G HN 0.439 nan 8.290 nan 0.000 0.539 95 L N 0.587 121.826 121.223 0.028 0.000 2.298 95 L HA 0.094 4.435 4.340 0.003 0.000 0.209 95 L C 3.006 179.887 176.870 0.020 0.000 1.084 95 L CA 1.484 56.338 54.840 0.022 0.000 0.816 95 L CB -0.123 41.949 42.059 0.022 0.000 0.967 95 L HN 0.335 nan 8.230 nan 0.000 0.460 96 T N -4.612 109.954 114.554 0.019 0.000 3.040 96 T HA 0.284 4.635 4.350 0.003 0.000 0.252 96 T C 1.439 176.153 174.700 0.024 0.000 1.064 96 T CA 0.693 62.807 62.100 0.023 0.000 1.110 96 T CB 0.898 69.784 68.868 0.030 0.000 0.921 96 T HN 0.367 nan 8.240 nan 0.000 0.480 97 G N 0.877 109.688 108.800 0.019 0.000 2.255 97 G HA2 -0.157 3.804 3.960 0.003 0.000 0.196 97 G HA3 -0.157 3.804 3.960 0.003 0.000 0.196 97 G C -0.261 174.641 174.900 0.002 0.000 0.998 97 G CA -0.326 44.784 45.100 0.017 0.000 0.656 97 G HN 0.542 nan 8.290 nan 0.000 0.490 98 E N 1.539 121.739 120.200 0.000 0.000 2.708 98 E HA 0.287 4.639 4.350 0.003 0.000 0.260 98 E C 0.403 176.994 176.600 -0.014 0.000 0.937 98 E CA 0.775 57.168 56.400 -0.011 0.000 0.953 98 E CB 0.338 30.025 29.700 -0.021 0.000 0.915 98 E HN 0.429 nan 8.360 nan 0.000 0.487 99 K N 3.640 124.033 120.400 -0.011 0.000 2.263 99 K HA 0.254 4.576 4.320 0.003 0.000 0.282 99 K C -0.537 176.059 176.600 -0.006 0.000 1.089 99 K CA -0.128 56.157 56.287 -0.003 0.000 0.907 99 K CB 0.442 32.945 32.500 0.005 0.000 1.148 99 K HN 0.328 nan 8.250 nan 0.000 0.470 100 L N 5.135 126.351 121.223 -0.011 0.000 2.276 100 L HA 0.363 4.704 4.340 0.003 0.000 0.286 100 L C -0.257 176.620 176.870 0.011 0.000 1.024 100 L CA -0.981 53.849 54.840 -0.017 0.000 0.826 100 L CB 0.726 42.753 42.059 -0.053 0.000 1.211 100 L HN 0.401 nan 8.230 nan 0.000 0.422 101 I N 5.243 125.826 120.570 0.022 0.000 2.379 101 I HA 0.199 4.370 4.170 0.003 0.000 0.290 101 I C 0.138 176.289 176.117 0.057 0.000 1.063 101 I CA -0.122 61.205 61.300 0.044 0.000 1.351 101 I CB 0.807 38.828 38.000 0.036 0.000 1.410 101 I HN 0.471 nan 8.210 nan 0.000 0.505 102 L N 7.486 128.772 121.223 0.106 0.000 2.277 102 L HA 0.442 4.783 4.340 0.003 0.000 0.284 102 L C -0.240 176.749 176.870 0.197 0.000 1.028 102 L CA -0.434 54.491 54.840 0.141 0.000 0.835 102 L CB 0.876 43.036 42.059 0.169 0.000 1.215 102 L HN 0.362 nan 8.230 nan 0.000 0.425 103 L N 4.162 125.471 121.223 0.145 0.000 2.259 103 L HA 0.347 4.689 4.340 0.003 0.000 0.288 103 L C 0.257 177.229 176.870 0.171 0.000 1.051 103 L CA -0.287 54.645 54.840 0.153 0.000 0.824 103 L CB 1.028 43.160 42.059 0.122 0.000 1.206 103 L HN 0.590 nan 8.230 nan 0.000 0.429 104 T N 0.164 114.839 114.554 0.202 0.000 2.842 104 T HA 0.658 5.009 4.350 0.003 0.000 0.308 104 T C 0.189 174.984 174.700 0.158 0.000 1.041 104 T CA -0.734 61.477 62.100 0.185 0.000 0.964 104 T CB 1.568 70.573 68.868 0.228 0.000 0.972 104 T HN 0.541 nan 8.240 nan 0.000 0.460 105 A N 3.081 126.005 122.820 0.173 0.000 2.483 105 A HA 0.503 4.824 4.320 0.003 0.000 0.238 105 A C 0.239 177.900 177.584 0.127 0.000 1.070 105 A CA -0.202 51.959 52.037 0.208 0.000 0.770 105 A CB 0.087 19.240 19.000 0.255 0.000 1.008 105 A HN 0.883 nan 8.150 nan 0.000 0.497 106 D N -0.276 120.178 120.400 0.091 0.000 2.523 106 D HA 0.462 5.104 4.640 0.003 0.000 0.236 106 D C -0.138 176.191 176.300 0.049 0.000 1.094 106 D CA -0.593 53.431 54.000 0.041 0.000 0.942 106 D CB 1.113 41.905 40.800 -0.012 0.000 1.447 106 D HN 0.492 nan 8.370 nan 0.000 0.479 107 R N 1.296 121.814 120.500 0.030 0.000 2.583 107 R HA 0.459 4.800 4.340 0.003 0.000 0.268 107 R C -2.049 174.243 176.300 -0.013 0.000 1.101 107 R CA -1.501 54.613 56.100 0.024 0.000 1.180 107 R CB -0.594 29.718 30.300 0.022 0.000 1.128 107 R HN 0.380 nan 8.270 nan 0.000 0.568 108 P HA 0.152 nan 4.420 nan 0.000 0.276 108 P C -1.977 175.295 177.300 -0.048 0.000 1.252 108 P CA -1.515 61.552 63.100 -0.055 0.000 0.802 108 P CB 0.308 31.976 31.700 -0.053 0.000 1.035 109 P HA -0.196 nan 4.420 nan 0.000 0.216 109 P C 1.124 178.402 177.300 -0.036 0.000 1.150 109 P CA 1.698 64.769 63.100 -0.047 0.000 0.843 109 P CB -0.199 31.468 31.700 -0.055 0.000 0.787 110 E N -0.146 120.032 120.200 -0.037 0.000 2.171 110 E HA -0.126 4.226 4.350 0.003 0.000 0.197 110 E C 1.370 177.959 176.600 -0.019 0.000 0.997 110 E CA 0.851 57.234 56.400 -0.028 0.000 0.810 110 E CB -0.945 28.738 29.700 -0.028 0.000 0.738 110 E HN 0.323 nan 8.360 nan 0.000 0.467 111 L N 0.990 122.202 121.223 -0.017 0.000 2.984 111 L HA 0.250 4.591 4.340 0.003 0.000 0.246 111 L C -0.328 176.537 176.870 -0.007 0.000 1.268 111 L CA -0.407 54.428 54.840 -0.009 0.000 1.054 111 L CB 0.201 42.259 42.059 -0.002 0.000 1.393 111 L HN 0.053 nan 8.230 nan 0.000 0.532 112 I N -0.170 120.393 120.570 -0.011 0.000 2.530 112 I HA 0.272 4.444 4.170 0.003 0.000 0.297 112 I C 0.023 176.134 176.117 -0.009 0.000 1.011 112 I CA -0.318 60.976 61.300 -0.010 0.000 1.107 112 I CB 1.682 39.672 38.000 -0.016 0.000 1.285 112 I HN 0.110 nan 8.210 nan 0.000 0.436 113 D N 3.872 124.268 120.400 -0.006 0.000 2.689 113 D HA -0.188 4.454 4.640 0.003 0.000 0.237 113 D C 0.375 176.672 176.300 -0.004 0.000 1.148 113 D CA 0.976 54.973 54.000 -0.004 0.000 0.656 113 D CB -1.041 39.755 40.800 -0.006 0.000 1.050 113 D HN 0.818 nan 8.370 nan 0.000 0.426 114 C N -3.433 115.865 119.300 -0.003 0.000 3.724 114 C HA 0.631 5.093 4.460 0.003 0.000 0.325 114 C C 1.429 176.419 174.990 -0.000 0.000 2.763 114 C CA 0.183 59.200 59.018 -0.002 0.000 1.574 114 C CB -0.097 27.641 27.740 -0.005 0.000 3.199 114 C HN 0.953 nan 8.230 nan 0.000 0.384 115 G N 1.505 110.306 108.800 0.002 0.000 2.283 115 G HA2 0.185 4.147 3.960 0.003 0.000 0.280 115 G HA3 0.185 4.147 3.960 0.003 0.000 0.280 115 G C 0.349 175.252 174.900 0.005 0.000 1.029 115 G CA 0.529 45.631 45.100 0.004 0.000 0.840 115 G HN 2.121 nan 8.290 nan 0.000 0.505 116 A N 0.044 122.867 122.820 0.006 0.000 2.409 116 A HA 0.551 4.872 4.320 0.003 0.000 0.267 116 A C 0.811 178.402 177.584 0.012 0.000 1.127 116 A CA -0.018 52.024 52.037 0.008 0.000 0.795 116 A CB 0.318 19.322 19.000 0.008 0.000 1.061 116 A HN 0.654 nan 8.150 nan 0.000 0.502 117 N N 2.091 120.800 118.700 0.015 0.000 2.356 117 N HA -0.081 4.660 4.740 0.003 0.000 0.252 117 N C 0.400 175.923 175.510 0.021 0.000 1.241 117 N CA 1.204 54.264 53.050 0.018 0.000 0.861 117 N CB 0.237 38.735 38.487 0.019 0.000 1.075 117 N HN 0.861 nan 8.380 nan 0.000 0.461 118 Q N 0.212 120.025 119.800 0.022 0.000 2.503 118 Q HA -0.229 4.112 4.340 0.003 0.000 0.267 118 Q C -1.564 174.451 176.000 0.024 0.000 1.030 118 Q CA 0.849 56.668 55.803 0.027 0.000 1.041 118 Q CB -1.384 27.374 28.738 0.034 0.000 1.406 118 Q HN 0.651 nan 8.270 nan 0.000 0.524 119 A N 1.278 124.108 122.820 0.018 0.000 2.360 119 A HA 0.682 5.004 4.320 0.003 0.000 0.309 119 A C -0.071 177.516 177.584 0.006 0.000 1.311 119 A CA -0.535 51.510 52.037 0.013 0.000 0.805 119 A CB 0.408 19.414 19.000 0.010 0.000 1.144 119 A HN 0.511 nan 8.150 nan 0.000 0.486 120 I N -1.385 119.186 120.570 0.002 0.000 3.023 120 I HA 0.655 4.827 4.170 0.003 0.000 0.312 120 I C -0.171 175.937 176.117 -0.015 0.000 1.056 120 I CA -1.388 59.910 61.300 -0.005 0.000 1.033 120 I CB 1.626 39.622 38.000 -0.007 0.000 1.233 120 I HN 0.463 nan 8.210 nan 0.000 0.462 121 R N 2.146 122.635 120.500 -0.019 0.000 2.351 121 R HA 0.155 4.497 4.340 0.003 0.000 0.318 121 R C 0.379 176.652 176.300 -0.045 0.000 1.055 121 R CA 0.072 56.156 56.100 -0.026 0.000 0.968 121 R CB 0.835 31.123 30.300 -0.020 0.000 0.974 121 R HN 0.689 nan 8.270 nan 0.000 0.439 122 Q N 2.381 122.155 119.800 -0.043 0.000 2.324 122 Q HA 0.092 4.433 4.340 0.003 0.000 0.207 122 Q C -1.610 174.370 176.000 -0.033 0.000 0.928 122 Q CA -0.121 55.649 55.803 -0.054 0.000 0.890 122 Q CB -0.199 28.525 28.738 -0.023 0.000 1.001 122 Q HN 0.431 nan 8.270 nan 0.000 0.517 123 P HA -0.030 nan 4.420 nan 0.000 0.265 123 P C 0.397 177.688 177.300 -0.016 0.000 1.193 123 P CA 1.472 64.552 63.100 -0.033 0.000 0.765 123 P CB 0.426 32.104 31.700 -0.037 0.000 0.823 124 G N 2.662 111.474 108.800 0.020 0.000 2.175 124 G HA2 -0.395 3.566 3.960 0.003 0.000 0.265 124 G HA3 -0.395 3.566 3.960 0.003 0.000 0.265 124 G C 1.158 176.030 174.900 -0.046 0.000 0.979 124 G CA 0.514 45.630 45.100 0.027 0.000 0.663 124 G HN 0.457 nan 8.290 nan 0.000 0.533 125 M N -1.122 118.351 119.600 -0.212 0.000 2.128 125 M HA -0.136 4.345 4.480 0.003 0.000 0.253 125 M C 1.682 177.772 176.300 -0.349 0.000 1.079 125 M CA 1.942 57.004 55.300 -0.398 0.000 1.082 125 M CB -0.346 31.738 32.600 -0.860 0.000 1.335 125 M HN 0.302 nan 8.290 nan 0.000 0.401 126 F N -0.378 119.420 119.950 -0.253 0.000 2.660 126 F HA 0.431 4.960 4.527 0.002 0.000 0.302 126 F C 1.444 177.338 175.800 0.157 0.000 1.103 126 F CA -0.153 57.645 58.000 -0.336 0.000 1.340 126 F CB -1.645 37.154 39.000 -0.337 0.000 1.048 126 F HN 0.230 nan 8.300 nan 0.000 0.551 127 A N 0.726 123.716 122.820 0.285 0.000 5.483 127 A HA -0.367 3.955 4.320 0.003 0.000 0.309 127 A C 1.791 179.508 177.584 0.222 0.000 1.898 127 A CA 2.092 54.290 52.037 0.268 0.000 0.716 127 A CB -1.982 17.225 19.000 0.344 0.000 1.309 127 A HN 0.625 nan 8.150 nan 0.000 0.380 128 S N -1.114 114.669 115.700 0.139 0.000 2.575 128 S HA 0.140 4.611 4.470 0.003 0.000 0.215 128 S C 1.275 175.866 174.600 -0.016 0.000 0.966 128 S CA 0.916 59.129 58.200 0.022 0.000 0.911 128 S CB -0.440 62.715 63.200 -0.074 0.000 0.780 128 S HN 0.699 nan 8.310 nan 0.000 0.514 129 H N 2.388 121.551 119.070 0.156 0.000 2.333 129 H HA 0.147 4.705 4.556 0.003 0.000 0.302 129 H C -1.520 173.861 175.328 0.088 0.000 1.075 129 H CA 0.510 56.637 56.048 0.131 0.000 1.348 129 H CB -1.767 28.130 29.762 0.225 0.000 1.393 129 H HN 0.384 nan 8.280 nan 0.000 0.509 130 P HA -0.042 nan 4.420 nan 0.000 0.267 130 P C 0.750 178.082 177.300 0.053 0.000 1.201 130 P CA 0.632 63.823 63.100 0.152 0.000 0.775 130 P CB 0.666 32.504 31.700 0.230 0.000 0.854 131 T N -0.267 114.279 114.554 -0.014 0.000 2.809 131 T HA -0.031 4.321 4.350 0.003 0.000 0.260 131 T C 0.506 174.995 174.700 -0.351 0.000 1.039 131 T CA 1.373 63.368 62.100 -0.175 0.000 1.141 131 T CB -0.316 68.442 68.868 -0.185 0.000 0.869 131 T HN 0.464 nan 8.240 nan 0.000 0.437 132 H N 0.173 119.267 119.070 0.039 0.000 2.690 132 H HA 0.639 5.196 4.556 0.002 0.000 0.368 132 H C -0.858 174.512 175.328 0.070 0.000 1.150 132 H CA -0.640 55.427 56.048 0.031 0.000 1.174 132 H CB 1.904 31.646 29.762 -0.032 0.000 1.684 132 H HN 0.062 nan 8.280 nan 0.000 0.538 133 S N 2.060 117.883 115.700 0.205 0.000 2.503 133 S HA 0.614 5.086 4.470 0.003 0.000 0.301 133 S C 0.085 174.719 174.600 0.055 0.000 1.087 133 S CA -0.757 57.520 58.200 0.129 0.000 1.042 133 S CB 1.261 64.532 63.200 0.119 0.000 1.043 133 S HN 0.391 nan 8.310 nan 0.000 0.489 134 I N 1.699 122.248 120.570 -0.035 0.000 2.497 134 I HA 0.252 4.423 4.170 0.003 0.000 0.284 134 I C -0.432 175.628 176.117 -0.095 0.000 1.060 134 I CA -0.464 60.818 61.300 -0.031 0.000 1.071 134 I CB 1.847 39.834 38.000 -0.022 0.000 1.216 134 I HN 0.412 nan 8.210 nan 0.000 0.442 135 S N 6.980 122.653 115.700 -0.046 0.000 2.416 135 S HA 0.392 4.864 4.470 0.003 0.000 0.302 135 S C 0.133 174.775 174.600 0.069 0.000 1.120 135 S CA -0.450 57.726 58.200 -0.039 0.000 1.067 135 S CB 0.008 63.196 63.200 -0.020 0.000 1.057 135 S HN 0.379 nan 8.310 nan 0.000 0.518 136 L N 5.745 127.021 121.223 0.087 0.000 2.417 136 L HA 0.347 4.689 4.340 0.003 0.000 0.268 136 L C -1.505 175.462 176.870 0.161 0.000 1.158 136 L CA -1.794 53.196 54.840 0.250 0.000 0.819 136 L CB 0.644 42.886 42.059 0.305 0.000 1.112 136 L HN 0.343 nan 8.230 nan 0.000 0.458 137 P HA 0.091 nan 4.420 nan 0.000 0.289 137 P C -0.834 176.384 177.300 -0.136 0.000 1.299 137 P CA -0.766 62.335 63.100 0.002 0.000 0.766 137 P CB 0.519 32.188 31.700 -0.052 0.000 1.226 138 R N 0.630 121.007 120.500 -0.205 0.000 2.458 138 R HA 0.152 4.493 4.340 0.003 0.000 0.303 138 R C -1.881 174.119 176.300 -0.500 0.000 1.013 138 R CA -1.193 54.725 56.100 -0.304 0.000 1.026 138 R CB -0.772 29.402 30.300 -0.209 0.000 0.948 138 R HN 0.331 nan 8.270 nan 0.000 0.417 139 P HA -0.029 nan 4.420 nan 0.000 0.262 139 P C -0.855 176.150 177.300 -0.492 0.000 1.199 139 P CA 0.380 62.741 63.100 -1.233 0.000 0.763 139 P CB 1.141 32.152 31.700 -1.147 0.000 0.790 140 T N 1.555 115.888 114.554 -0.368 0.000 2.896 140 T HA 0.182 4.533 4.350 0.003 0.000 0.297 140 T C 0.678 175.147 174.700 -0.385 0.000 1.108 140 T CA -0.502 61.391 62.100 -0.345 0.000 1.004 140 T CB 1.252 69.983 68.868 -0.229 0.000 1.159 140 T HN 0.266 nan 8.240 nan 0.000 0.499 141 Q N 0.504 119.882 119.800 -0.704 0.000 2.435 141 Q HA -0.007 4.335 4.340 0.003 0.000 0.207 141 Q C 0.659 176.658 176.000 -0.002 0.000 0.956 141 Q CA 0.763 56.225 55.803 -0.569 0.000 0.917 141 Q CB 0.229 28.629 28.738 -0.563 0.000 0.997 141 Q HN 0.602 nan 8.270 nan 0.000 0.497 142 D N 0.274 120.663 120.400 -0.018 0.000 2.277 142 D HA 0.032 4.674 4.640 0.003 0.000 0.208 142 D C 0.317 176.700 176.300 0.139 0.000 0.962 142 D CA 0.603 54.632 54.000 0.048 0.000 0.865 142 D CB 0.416 41.197 40.800 -0.032 0.000 0.939 142 D HN 0.212 nan 8.370 nan 0.000 0.510 143 I N 2.699 123.411 120.570 0.238 0.000 2.342 143 I HA 0.160 4.331 4.170 0.003 0.000 0.291 143 I C -2.250 174.236 176.117 0.615 0.000 1.010 143 I CA -2.083 59.396 61.300 0.300 0.000 1.308 143 I CB 1.629 39.762 38.000 0.221 0.000 1.400 143 I HN -0.302 nan 8.210 nan 0.000 0.488 144 P HA 0.130 nan 4.420 nan 0.000 0.280 144 P C 0.282 177.496 177.300 -0.144 0.000 1.244 144 P CA -0.354 62.806 63.100 0.100 0.000 0.784 144 P CB 1.247 32.943 31.700 -0.008 0.000 0.913 145 A N 4.543 126.809 122.820 -0.923 0.000 2.024 145 A HA -0.248 4.074 4.320 0.003 0.000 0.220 145 A C 2.070 179.149 177.584 -0.842 0.000 1.164 145 A CA 1.701 53.081 52.037 -1.094 0.000 0.643 145 A CB -0.979 17.014 19.000 -1.679 0.000 0.806 145 A HN 0.677 nan 8.150 nan 0.000 0.451 146 R N -1.972 118.019 120.500 -0.848 0.000 2.127 146 R HA -0.201 4.141 4.340 0.003 0.000 0.238 146 R C 1.978 177.977 176.300 -0.502 0.000 1.134 146 R CA 1.575 57.078 56.100 -0.995 0.000 0.975 146 R CB -0.762 29.096 30.300 -0.736 0.000 0.865 146 R HN 0.626 nan 8.270 nan 0.000 0.447 147 W N 1.717 122.816 121.300 -0.336 0.000 2.354 147 W HA -0.168 4.493 4.660 0.001 0.000 0.315 147 W C 1.924 178.312 176.519 -0.219 0.000 1.206 147 W CA 1.359 58.597 57.345 -0.178 0.000 1.290 147 W CB -0.453 28.980 29.460 -0.046 0.000 1.152 147 W HN 0.129 nan 8.180 nan 0.000 0.489 148 L N 0.556 121.647 121.223 -0.220 0.000 2.012 148 L HA -0.191 4.151 4.340 0.003 0.000 0.210 148 L C 2.428 178.934 176.870 -0.607 0.000 1.073 148 L CA 2.379 56.912 54.840 -0.511 0.000 0.748 148 L CB -1.713 40.065 42.059 -0.467 0.000 0.891 148 L HN 0.061 nan 8.230 nan 0.000 0.431 149 V N -0.956 118.590 119.914 -0.613 0.000 2.287 149 V HA -0.303 3.819 4.120 0.003 0.000 0.248 149 V C 2.534 178.402 176.094 -0.378 0.000 1.053 149 V CA 2.312 64.282 62.300 -0.550 0.000 1.027 149 V CB -0.252 31.017 31.823 -0.923 0.000 0.646 149 V HN 0.692 nan 8.190 nan 0.000 0.447 150 S N -0.436 115.016 115.700 -0.413 0.000 2.402 150 S HA -0.171 4.301 4.470 0.003 0.000 0.229 150 S C 1.866 176.284 174.600 -0.303 0.000 1.021 150 S CA 1.775 59.849 58.200 -0.210 0.000 0.974 150 S CB -0.446 62.690 63.200 -0.108 0.000 0.800 150 S HN 0.790 nan 8.310 nan 0.000 0.484 151 T N 2.677 116.870 114.554 -0.602 0.000 2.746 151 T HA 0.058 4.410 4.350 0.003 0.000 0.267 151 T C 1.741 176.257 174.700 -0.307 0.000 1.039 151 T CA 0.994 62.773 62.100 -0.535 0.000 1.142 151 T CB -0.380 67.947 68.868 -0.901 0.000 0.866 151 T HN 0.339 nan 8.240 nan 0.000 0.444 152 I N 1.358 121.740 120.570 -0.314 0.000 2.252 152 I HA -0.140 4.031 4.170 0.003 0.000 0.245 152 I C 2.267 178.264 176.117 -0.200 0.000 1.102 152 I CA 1.103 62.273 61.300 -0.216 0.000 1.385 152 I CB -0.411 37.490 38.000 -0.165 0.000 1.064 152 I HN 0.096 nan 8.210 nan 0.000 0.414 153 D N -0.022 120.325 120.400 -0.089 0.000 2.123 153 D HA -0.247 4.395 4.640 0.003 0.000 0.196 153 D C 2.002 178.281 176.300 -0.035 0.000 0.992 153 D CA 1.450 55.467 54.000 0.029 0.000 0.833 153 D CB -0.391 40.524 40.800 0.191 0.000 0.954 153 D HN 0.406 nan 8.370 nan 0.000 0.455 154 H N 0.694 119.675 119.070 -0.149 0.000 2.353 154 H HA 0.007 4.564 4.556 0.002 0.000 0.300 154 H C 1.801 176.986 175.328 -0.237 0.000 1.090 154 H CA 2.169 58.119 56.048 -0.164 0.000 1.327 154 H CB -0.318 29.332 29.762 -0.187 0.000 1.383 154 H HN 0.046 nan 8.280 nan 0.000 0.508 155 A N 0.903 123.436 122.820 -0.479 0.000 1.873 155 A HA -0.052 4.269 4.320 0.003 0.000 0.215 155 A C 2.494 179.860 177.584 -0.363 0.000 1.186 155 A CA 1.505 53.200 52.037 -0.571 0.000 0.616 155 A CB -0.611 18.203 19.000 -0.310 0.000 0.823 155 A HN 0.453 nan 8.150 nan 0.000 0.442 156 L N -0.990 120.003 121.223 -0.383 0.000 2.209 156 L HA -0.025 4.316 4.340 0.003 0.000 0.207 156 L C 2.741 179.473 176.870 -0.231 0.000 1.094 156 L CA 1.440 56.053 54.840 -0.378 0.000 0.790 156 L CB -1.487 40.107 42.059 -0.774 0.000 0.932 156 L HN 0.506 nan 8.230 nan 0.000 0.447 157 G N 0.113 108.796 108.800 -0.195 0.000 2.432 157 G HA2 -0.240 3.721 3.960 0.003 0.000 0.219 157 G HA3 -0.240 3.721 3.960 0.003 0.000 0.219 157 G C 1.466 176.373 174.900 0.012 0.000 1.135 157 G CA 1.375 46.489 45.100 0.024 0.000 0.767 157 G HN 0.474 nan 8.290 nan 0.000 0.550 158 T N -1.932 112.585 114.554 -0.061 0.000 3.054 158 T HA 0.353 4.705 4.350 0.003 0.000 0.255 158 T C 0.798 175.558 174.700 0.099 0.000 1.035 158 T CA -0.522 61.587 62.100 0.015 0.000 0.941 158 T CB 0.199 69.040 68.868 -0.045 0.000 1.026 158 T HN 0.029 nan 8.240 nan 0.000 0.533 159 L N 3.035 124.297 121.223 0.066 0.000 2.623 159 L HA 0.279 4.621 4.340 0.003 0.000 0.281 159 L C 1.347 178.267 176.870 0.083 0.000 1.150 159 L CA 0.100 55.003 54.840 0.105 0.000 0.965 159 L CB -0.213 41.882 42.059 0.061 0.000 1.303 159 L HN 0.306 nan 8.230 nan 0.000 0.467 160 H N 4.183 123.267 119.070 0.022 0.000 2.389 160 H HA 0.320 4.878 4.556 0.003 0.000 0.299 160 H C 0.221 175.551 175.328 0.004 0.000 1.081 160 H CA 1.005 57.060 56.048 0.012 0.000 1.345 160 H CB 0.386 30.151 29.762 0.004 0.000 1.393 160 H HN 0.698 nan 8.280 nan 0.000 0.520 161 A N -1.316 121.548 122.820 0.073 0.000 2.596 161 A HA 0.544 4.865 4.320 0.003 0.000 0.305 161 A C -0.185 177.415 177.584 0.028 0.000 1.032 161 A CA -0.125 51.932 52.037 0.033 0.000 0.776 161 A CB 0.234 19.286 19.000 0.086 0.000 1.253 161 A HN 0.979 nan 8.150 nan 0.000 0.402 162 G N -0.282 108.525 108.800 0.011 0.000 2.408 162 G HA2 0.563 4.524 3.960 0.003 0.000 0.682 162 G HA3 0.563 4.524 3.960 0.003 0.000 0.682 162 G C 0.328 175.233 174.900 0.008 0.000 1.303 162 G CA 0.049 45.153 45.100 0.006 0.000 0.966 162 G HN 2.296 nan 8.290 nan 0.000 0.560 163 G N -1.651 107.156 108.800 0.012 0.000 2.507 163 G HA2 0.696 4.658 3.960 0.003 0.000 0.271 163 G HA3 0.696 4.658 3.960 0.003 0.000 0.271 163 G C -0.445 174.494 174.900 0.066 0.000 1.189 163 G CA 0.186 45.301 45.100 0.026 0.000 0.859 163 G HN 1.480 nan 8.290 nan 0.000 0.542 164 V N 0.930 120.901 119.914 0.094 0.000 2.638 164 V HA 0.316 4.438 4.120 0.003 0.000 0.306 164 V C -0.532 175.686 176.094 0.207 0.000 1.052 164 V CA -0.845 61.539 62.300 0.140 0.000 0.885 164 V CB 1.628 33.508 31.823 0.096 0.000 0.999 164 V HN 0.910 nan 8.190 nan 0.000 0.424 165 H N 5.286 124.432 119.070 0.127 0.000 2.519 165 H HA 0.650 5.207 4.556 0.002 0.000 0.316 165 H C -1.265 174.116 175.328 0.089 0.000 1.065 165 H CA -0.822 55.312 56.048 0.144 0.000 1.264 165 H CB 1.254 31.141 29.762 0.209 0.000 1.413 165 H HN 0.579 nan 8.280 nan 0.000 0.465 166 I N 5.067 125.694 120.570 0.095 0.000 2.382 166 I HA 0.058 4.230 4.170 0.003 0.000 0.285 166 I C -0.315 175.742 176.117 -0.100 0.000 1.007 166 I CA -0.593 60.672 61.300 -0.058 0.000 1.142 166 I CB 1.280 39.296 38.000 0.027 0.000 1.289 166 I HN 0.581 nan 8.210 nan 0.000 0.453 167 N N 5.366 123.897 118.700 -0.283 0.000 2.422 167 N HA 0.289 5.031 4.740 0.003 0.000 0.264 167 N C -1.152 174.320 175.510 -0.063 0.000 1.063 167 N CA -0.186 52.767 53.050 -0.161 0.000 0.959 167 N CB 0.681 39.029 38.487 -0.231 0.000 1.087 167 N HN 0.529 nan 8.380 nan 0.000 0.483 168 C N 6.209 125.488 119.300 -0.034 0.000 2.248 168 C HA 0.422 4.884 4.460 0.003 0.000 0.320 168 C C -2.292 172.476 174.990 -0.370 0.000 1.065 168 C CA -1.601 57.329 59.018 -0.146 0.000 1.558 168 C CB -0.016 27.735 27.740 0.019 0.000 1.787 168 C HN 0.634 nan 8.230 nan 0.000 0.426 169 P HA 0.336 nan 4.420 nan 0.000 0.271 169 P C -0.776 176.066 177.300 -0.762 0.000 1.216 169 P CA 0.215 63.084 63.100 -0.383 0.000 0.771 169 P CB 0.302 31.849 31.700 -0.254 0.000 0.864 170 F N 1.298 121.203 119.950 -0.074 0.000 2.562 170 F HA 0.548 5.077 4.527 0.004 0.000 0.319 170 F C 0.126 175.872 175.800 -0.089 0.000 1.154 170 F CA -1.013 56.922 58.000 -0.109 0.000 0.931 170 F CB 1.367 40.317 39.000 -0.083 0.000 1.198 170 F HN 0.170 nan 8.300 nan 0.000 0.444 171 A N 3.346 126.203 122.820 0.060 0.000 2.320 171 A HA 0.507 4.829 4.320 0.003 0.000 0.287 171 A C 0.242 177.843 177.584 0.029 0.000 1.181 171 A CA -0.693 51.356 52.037 0.019 0.000 0.831 171 A CB 0.145 19.129 19.000 -0.026 0.000 1.102 171 A HN 0.689 nan 8.150 nan 0.000 0.513 172 E N 2.778 122.991 120.200 0.022 0.000 2.438 172 E HA 0.167 4.518 4.350 0.003 0.000 0.261 172 E C -2.484 174.119 176.600 0.005 0.000 1.103 172 E CA -1.129 55.276 56.400 0.009 0.000 0.959 172 E CB -0.492 29.223 29.700 0.024 0.000 0.958 172 E HN 0.331 nan 8.360 nan 0.000 0.447 173 P HA 0.189 nan 4.420 nan 0.000 0.280 173 P C -0.099 177.167 177.300 -0.058 0.000 1.244 173 P CA -0.288 62.816 63.100 0.007 0.000 0.784 173 P CB 0.504 32.220 31.700 0.026 0.000 0.913 174 L N 0.958 122.096 121.223 -0.142 0.000 2.640 174 L HA 0.274 4.616 4.340 0.003 0.000 0.230 174 L C 0.017 176.522 176.870 -0.608 0.000 1.123 174 L CA 0.149 54.728 54.840 -0.436 0.000 0.900 174 L CB -0.525 41.149 42.059 -0.641 0.000 1.146 174 L HN 0.335 nan 8.230 nan 0.000 0.484 179 D N 1.733 122.149 120.400 0.027 0.000 2.315 179 D HA 0.359 5.001 4.640 0.003 0.000 0.275 179 D C -0.243 176.077 176.300 0.033 0.000 1.218 179 D CA 0.286 54.304 54.000 0.029 0.000 1.040 179 D CB 0.559 41.378 40.800 0.033 0.000 1.123 179 D HN 0.671 nan 8.370 nan 0.000 0.541 180 D N -1.647 118.776 120.400 0.039 0.000 2.696 180 D HA 0.159 4.800 4.640 0.003 0.000 0.269 180 D C 0.676 177.019 176.300 0.072 0.000 1.319 180 D CA -0.010 54.019 54.000 0.048 0.000 0.826 180 D CB 0.423 41.246 40.800 0.037 0.000 1.086 180 D HN 0.057 nan 8.370 nan 0.000 0.481 181 T N -0.915 113.688 114.554 0.081 0.000 2.708 181 T HA -0.074 4.277 4.350 0.003 0.000 0.266 181 T C 1.934 176.729 174.700 0.158 0.000 1.037 181 T CA 1.434 63.588 62.100 0.090 0.000 1.146 181 T CB -0.057 68.856 68.868 0.075 0.000 0.865 181 T HN 0.342 nan 8.240 nan 0.000 0.435 182 G N 0.279 109.227 108.800 0.247 0.000 3.189 182 G HA2 0.207 4.168 3.960 0.003 0.000 0.225 182 G HA3 0.207 4.168 3.960 0.003 0.000 0.225 182 G C 1.314 176.429 174.900 0.358 0.000 1.159 182 G CA -0.192 45.146 45.100 0.397 0.000 0.763 182 G HN 0.382 nan 8.290 nan 0.000 0.549 183 L N 1.713 123.060 121.223 0.207 0.000 2.083 183 L HA -0.059 4.283 4.340 0.003 0.000 0.209 183 L C 2.943 179.902 176.870 0.148 0.000 1.083 183 L CA 2.507 57.425 54.840 0.129 0.000 0.752 183 L CB -0.187 41.908 42.059 0.060 0.000 0.899 183 L HN 0.260 nan 8.230 nan 0.000 0.433 184 S N -2.095 113.716 115.700 0.185 0.000 2.446 184 S HA -0.203 4.269 4.470 0.003 0.000 0.225 184 S C 1.810 176.548 174.600 0.231 0.000 1.016 184 S CA 0.436 58.735 58.200 0.165 0.000 0.943 184 S CB -1.195 62.084 63.200 0.131 0.000 0.786 184 S HN 0.667 nan 8.310 nan 0.000 0.508 185 W N 2.282 123.654 121.300 0.120 0.000 2.354 185 W HA -0.107 4.554 4.660 0.002 0.000 0.315 185 W C 2.432 179.042 176.519 0.151 0.000 1.206 185 W CA 1.850 59.289 57.345 0.156 0.000 1.290 185 W CB -0.519 29.098 29.460 0.262 0.000 1.152 185 W HN 0.289 nan 8.180 nan 0.000 0.489 186 Q N -0.293 119.749 119.800 0.404 0.000 2.173 186 Q HA -0.325 4.016 4.340 0.003 0.000 0.208 186 Q C 2.070 178.200 176.000 0.215 0.000 0.989 186 Q CA 2.191 58.136 55.803 0.237 0.000 0.872 186 Q CB -0.428 28.369 28.738 0.098 0.000 0.909 186 Q HN 0.540 nan 8.270 nan 0.000 0.420 187 Q N -0.584 119.286 119.800 0.116 0.000 2.403 187 Q HA 0.032 4.373 4.340 0.003 0.000 0.203 187 Q C 1.321 177.395 176.000 0.124 0.000 0.932 187 Q CA -0.056 55.821 55.803 0.124 0.000 0.945 187 Q CB 0.414 29.189 28.738 0.062 0.000 1.045 187 Q HN 0.178 nan 8.270 nan 0.000 0.511 188 R N 0.203 120.726 120.500 0.038 0.000 2.316 188 R HA -0.014 4.327 4.340 0.003 0.000 0.202 188 R C 1.340 177.637 176.300 -0.005 0.000 1.029 188 R CA 0.651 56.748 56.100 -0.006 0.000 1.018 188 R CB -0.064 30.173 30.300 -0.106 0.000 0.888 188 R HN 0.333 nan 8.270 nan 0.000 0.471 189 L N -0.168 121.062 121.223 0.010 0.000 2.591 189 L HA 0.118 4.460 4.340 0.003 0.000 0.228 189 L C 1.397 178.461 176.870 0.324 0.000 1.133 189 L CA 0.289 55.117 54.840 -0.019 0.000 0.880 189 L CB -0.494 41.384 42.059 -0.302 0.000 1.033 189 L HN 0.256 nan 8.230 nan 0.000 0.450 190 G N 2.223 111.217 108.800 0.324 0.000 2.596 190 G HA2 -0.448 3.514 3.960 0.003 0.000 0.295 190 G HA3 -0.448 3.514 3.960 0.003 0.000 0.295 190 G C 0.367 175.494 174.900 0.378 0.000 1.240 190 G CA 0.608 45.891 45.100 0.305 0.000 0.985 190 G HN 0.576 nan 8.290 nan 0.000 0.555 191 D N -0.386 120.189 120.400 0.293 0.000 2.328 191 D HA 0.123 4.765 4.640 0.003 0.000 0.226 191 D C 1.546 178.003 176.300 0.260 0.000 1.066 191 D CA 0.898 55.049 54.000 0.252 0.000 0.861 191 D CB -0.423 40.464 40.800 0.145 0.000 0.912 191 D HN 0.615 nan 8.370 nan 0.000 0.521 192 W N 0.397 121.757 121.300 0.099 0.000 2.350 192 W HA -0.117 4.545 4.660 0.003 0.000 0.289 192 W C 0.937 177.393 176.519 -0.106 0.000 1.215 192 W CA 0.928 58.267 57.345 -0.009 0.000 1.236 192 W CB -0.255 29.217 29.460 0.019 0.000 1.130 192 W HN 0.008 nan 8.180 nan 0.000 0.541 193 W N 0.131 121.646 121.300 0.360 0.000 2.374 193 W HA -0.171 4.490 4.660 0.003 0.000 0.288 193 W C 2.145 178.632 176.519 -0.053 0.000 1.218 193 W CA 1.383 58.819 57.345 0.152 0.000 1.245 193 W CB -0.723 28.859 29.460 0.202 0.000 1.126 193 W HN -0.072 nan 8.180 nan 0.000 0.545 194 Q N -0.372 119.534 119.800 0.176 0.000 2.360 194 Q HA 0.017 4.359 4.340 0.003 0.000 0.202 194 Q C 0.661 176.619 176.000 -0.071 0.000 0.915 194 Q CA 0.398 56.228 55.803 0.046 0.000 0.943 194 Q CB -0.046 28.733 28.738 0.068 0.000 1.064 194 Q HN 0.066 nan 8.270 nan 0.000 0.511 195 D N -0.386 119.910 120.400 -0.173 0.000 2.403 195 D HA 0.023 4.664 4.640 0.003 0.000 0.278 195 D C 0.325 176.434 176.300 -0.318 0.000 1.230 195 D CA 0.101 53.960 54.000 -0.234 0.000 1.062 195 D CB 0.789 41.439 40.800 -0.249 0.000 1.119 195 D HN -0.106 nan 8.370 nan 0.000 0.557 196 D N -2.061 118.155 120.400 -0.308 0.000 2.123 196 D HA 0.102 4.744 4.640 0.003 0.000 0.323 196 D C -0.431 175.713 176.300 -0.261 0.000 1.075 196 D CA 0.230 54.081 54.000 -0.249 0.000 0.892 196 D CB 0.546 41.248 40.800 -0.162 0.000 1.716 196 D HN 0.201 nan 8.370 nan 0.000 0.531 197 K N 0.730 120.981 120.400 -0.248 0.000 2.210 197 K HA 0.551 4.872 4.320 0.003 0.000 0.236 197 K C -2.559 173.931 176.600 -0.185 0.000 1.016 197 K CA -1.804 54.365 56.287 -0.198 0.000 0.913 197 K CB 0.687 33.116 32.500 -0.118 0.000 1.141 197 K HN -0.132 nan 8.250 nan 0.000 0.462 198 P HA -0.147 nan 4.420 nan 0.000 0.269 198 P C 0.071 177.599 177.300 0.379 0.000 1.217 198 P CA -0.089 63.079 63.100 0.113 0.000 0.783 198 P CB 0.388 32.101 31.700 0.021 0.000 0.898 199 W N 3.321 124.871 121.300 0.415 0.000 2.354 199 W HA -0.080 4.581 4.660 0.002 0.000 0.315 199 W C -0.130 176.412 176.519 0.037 0.000 1.206 199 W CA 1.017 58.440 57.345 0.131 0.000 1.290 199 W CB -0.257 29.026 29.460 -0.294 0.000 1.152 199 W HN 0.165 nan 8.180 nan 0.000 0.489 200 L N 2.445 123.795 121.223 0.212 0.000 2.296 200 L HA 0.388 4.729 4.340 0.003 0.000 0.286 200 L C -0.284 176.641 176.870 0.092 0.000 1.023 200 L CA -0.564 54.320 54.840 0.073 0.000 0.812 200 L CB 1.356 43.481 42.059 0.110 0.000 1.223 200 L HN -0.122 nan 8.230 nan 0.000 0.421 201 R N 4.637 125.156 120.500 0.032 0.000 2.233 201 R HA 0.332 4.673 4.340 0.003 0.000 0.334 201 R C -0.732 175.597 176.300 0.047 0.000 1.037 201 R CA -0.265 55.862 56.100 0.045 0.000 0.920 201 R CB 0.657 30.960 30.300 0.006 0.000 1.137 201 R HN 0.619 nan 8.270 nan 0.000 0.492 202 E N 2.502 122.750 120.200 0.081 0.000 2.267 202 E HA 0.388 4.739 4.350 0.003 0.000 0.248 202 E C -1.058 175.593 176.600 0.085 0.000 0.899 202 E CA -0.480 55.968 56.400 0.080 0.000 0.764 202 E CB 1.310 31.075 29.700 0.108 0.000 1.227 202 E HN 0.712 nan 8.360 nan 0.000 0.421 203 A N 5.501 128.362 122.820 0.068 0.000 3.234 203 A HA 0.307 4.628 4.320 0.003 0.000 0.247 203 A C -2.209 175.412 177.584 0.062 0.000 0.938 203 A CA -0.857 51.221 52.037 0.068 0.000 1.039 203 A CB 0.052 19.091 19.000 0.065 0.000 1.197 203 A HN 0.549 nan 8.150 nan 0.000 0.498 204 P HA 0.143 nan 4.420 nan 0.000 0.266 204 P C -0.603 176.740 177.300 0.073 0.000 1.193 204 P CA 0.192 63.327 63.100 0.060 0.000 0.770 204 P CB 0.622 32.357 31.700 0.060 0.000 0.836 205 R N 1.140 121.679 120.500 0.065 0.000 2.428 205 R HA 0.484 4.825 4.340 0.003 0.000 0.294 205 R C -0.418 175.926 176.300 0.074 0.000 1.000 205 R CA -1.091 55.059 56.100 0.084 0.000 0.960 205 R CB 0.979 31.320 30.300 0.068 0.000 1.076 205 R HN 0.361 nan 8.270 nan 0.000 0.475 206 L N 2.868 124.148 121.223 0.095 0.000 2.276 206 L HA 0.303 4.644 4.340 0.003 0.000 0.286 206 L C -0.638 176.256 176.870 0.040 0.000 1.024 206 L CA 0.320 55.172 54.840 0.020 0.000 0.826 206 L CB 0.811 42.803 42.059 -0.111 0.000 1.211 206 L HN 0.550 nan 8.230 nan 0.000 0.422 207 E N 2.717 122.936 120.200 0.031 0.000 2.314 207 E HA 0.382 4.734 4.350 0.003 0.000 0.272 207 E C -1.091 175.531 176.600 0.036 0.000 0.884 207 E CA -0.736 55.693 56.400 0.049 0.000 0.753 207 E CB 2.183 31.919 29.700 0.060 0.000 1.213 207 E HN 0.418 nan 8.360 nan 0.000 0.432 208 S N 1.539 117.271 115.700 0.054 0.000 2.513 208 S HA 0.073 4.544 4.470 0.003 0.000 0.276 208 S C 0.022 174.680 174.600 0.096 0.000 1.254 208 S CA -0.420 57.813 58.200 0.056 0.000 1.053 208 S CB 0.939 64.165 63.200 0.043 0.000 0.958 208 S HN 0.425 nan 8.310 nan 0.000 0.491 209 E N 2.390 122.632 120.200 0.069 0.000 2.436 209 E HA -0.027 4.324 4.350 0.003 0.000 0.262 209 E C 0.103 176.779 176.600 0.126 0.000 1.063 209 E CA -0.080 56.364 56.400 0.073 0.000 0.944 209 E CB 0.434 30.164 29.700 0.049 0.000 0.950 209 E HN 0.425 nan 8.360 nan 0.000 0.444 210 K N 2.475 122.928 120.400 0.089 0.000 2.511 210 K HA -0.110 4.211 4.320 0.003 0.000 0.280 210 K C -0.344 176.407 176.600 0.252 0.000 1.008 210 K CA 0.163 56.513 56.287 0.104 0.000 1.050 210 K CB 0.431 32.907 32.500 -0.040 0.000 0.889 210 K HN 0.350 nan 8.250 nan 0.000 0.484 211 Q N 4.508 124.658 119.800 0.583 0.000 2.452 211 Q HA 0.026 4.367 4.340 0.003 0.000 0.230 211 Q C 0.428 176.699 176.000 0.451 0.000 1.180 211 Q CA 0.322 56.358 55.803 0.387 0.000 0.914 211 Q CB 0.640 29.488 28.738 0.183 0.000 1.408 211 Q HN 0.537 nan 8.270 nan 0.000 0.520 212 R N 1.135 121.810 120.500 0.292 0.000 2.316 212 R HA -0.149 4.192 4.340 0.003 0.000 0.232 212 R C 0.208 176.691 176.300 0.305 0.000 1.137 212 R CA 1.242 57.480 56.100 0.230 0.000 1.012 212 R CB 0.189 30.568 30.300 0.131 0.000 0.859 212 R HN 0.469 nan 8.270 nan 0.000 0.474 213 D N -1.096 119.591 120.400 0.477 0.000 2.559 213 D HA -0.089 4.552 4.640 0.003 0.000 0.234 213 D C 1.066 177.882 176.300 0.860 0.000 1.226 213 D CA -0.466 53.871 54.000 0.561 0.000 0.830 213 D CB -0.710 40.407 40.800 0.529 0.000 1.028 213 D HN 0.285 nan 8.370 nan 0.000 0.492 214 W N 0.437 122.161 121.300 0.705 0.000 2.381 214 W HA -0.197 4.465 4.660 0.003 0.000 0.301 214 W C 0.512 177.420 176.519 0.649 0.000 1.205 214 W CA 0.417 58.230 57.345 0.781 0.000 1.285 214 W CB -0.257 29.671 29.460 0.779 0.000 1.133 214 W HN -0.117 nan 8.180 nan 0.000 0.521 215 F N 0.626 120.673 119.950 0.163 0.000 2.147 215 F HA -0.258 4.271 4.527 0.003 0.000 0.301 215 F C 2.345 178.097 175.800 -0.080 0.000 1.084 215 F CA 1.908 59.877 58.000 -0.053 0.000 1.268 215 F CB -1.791 37.249 39.000 0.065 0.000 1.009 215 F HN -0.059 nan 8.300 nan 0.000 0.486 216 F N -1.079 118.890 119.950 0.032 0.000 2.074 216 F HA -0.138 4.390 4.527 0.002 0.000 0.293 216 F C 2.094 177.758 175.800 -0.228 0.000 1.116 216 F CA 1.368 59.271 58.000 -0.163 0.000 1.212 216 F CB -1.039 37.798 39.000 -0.270 0.000 0.998 216 F HN -0.081 nan 8.300 nan 0.000 0.471 217 W N 1.874 123.029 121.300 -0.241 0.000 2.363 217 W HA -0.105 4.557 4.660 0.003 0.000 0.296 217 W C 2.628 178.871 176.519 -0.460 0.000 1.212 217 W CA 1.364 58.464 57.345 -0.409 0.000 1.260 217 W CB -0.453 28.983 29.460 -0.040 0.000 1.131 217 W HN 0.036 nan 8.180 nan 0.000 0.530 218 R N 0.925 121.024 120.500 -0.669 0.000 2.293 218 R HA -0.149 4.192 4.340 0.003 0.000 0.219 218 R C 1.302 177.341 176.300 -0.435 0.000 1.091 218 R CA 1.433 56.943 56.100 -0.983 0.000 1.004 218 R CB -0.594 28.661 30.300 -1.741 0.000 0.865 218 R HN 0.331 nan 8.270 nan 0.000 0.469 219 Q N 0.261 119.863 119.800 -0.331 0.000 2.373 219 Q HA 0.118 4.459 4.340 0.003 0.000 0.210 219 Q C 0.297 176.199 176.000 -0.162 0.000 0.913 219 Q CA 0.075 55.739 55.803 -0.231 0.000 0.911 219 Q CB 0.302 28.877 28.738 -0.272 0.000 1.040 219 Q HN 0.114 nan 8.270 nan 0.000 0.521 220 K N 1.528 121.791 120.400 -0.229 0.000 2.244 220 K HA 0.123 4.445 4.320 0.003 0.000 0.242 220 K C 0.312 176.730 176.600 -0.303 0.000 1.082 220 K CA 0.183 56.303 56.287 -0.278 0.000 0.841 220 K CB 0.187 32.513 32.500 -0.290 0.000 1.129 220 K HN 0.005 nan 8.250 nan 0.000 0.516 221 R N 0.186 120.322 120.500 -0.606 0.000 2.205 221 R HA 0.357 4.699 4.340 0.003 0.000 0.342 221 R C 0.362 175.975 176.300 -1.145 0.000 1.058 221 R CA -0.263 55.138 56.100 -1.166 0.000 0.904 221 R CB 0.703 30.041 30.300 -1.603 0.000 1.089 221 R HN 0.647 nan 8.270 nan 0.000 0.471 222 G N 1.155 108.841 108.800 -1.858 0.000 2.788 222 G HA2 0.616 4.577 3.960 0.003 0.000 0.293 222 G HA3 0.616 4.577 3.960 0.003 0.000 0.293 222 G C -1.109 173.242 174.900 -0.915 0.000 1.305 222 G CA -0.421 43.491 45.100 -1.980 0.000 1.005 222 G HN 0.296 nan 8.290 nan 0.000 0.496 223 V N -0.652 119.056 119.914 -0.343 0.000 2.876 223 V HA 0.585 4.707 4.120 0.003 0.000 0.312 223 V C -0.514 175.735 176.094 0.258 0.000 1.085 223 V CA -0.730 61.624 62.300 0.091 0.000 0.945 223 V CB 1.938 33.867 31.823 0.177 0.000 1.017 223 V HN 0.551 nan 8.190 nan 0.000 0.428 224 V N 3.666 123.774 119.914 0.323 0.000 2.513 224 V HA 0.630 4.751 4.120 0.003 0.000 0.299 224 V C -0.459 175.773 176.094 0.230 0.000 1.035 224 V CA -0.466 62.040 62.300 0.345 0.000 0.889 224 V CB 2.033 34.109 31.823 0.422 0.000 0.988 224 V HN 0.650 nan 8.190 nan 0.000 0.440 225 V N 3.022 123.052 119.914 0.194 0.000 2.604 225 V HA 0.883 5.004 4.120 0.003 0.000 0.305 225 V C 0.017 176.186 176.094 0.125 0.000 1.043 225 V CA -0.690 61.708 62.300 0.163 0.000 0.888 225 V CB 1.763 33.703 31.823 0.195 0.000 0.995 225 V HN 0.979 nan 8.190 nan 0.000 0.429 226 A N 2.853 125.733 122.820 0.101 0.000 2.410 226 A HA 0.860 5.182 4.320 0.003 0.000 0.289 226 A C 0.281 177.893 177.584 0.048 0.000 1.200 226 A CA 0.094 52.175 52.037 0.074 0.000 0.751 226 A CB 1.056 20.106 19.000 0.082 0.000 1.161 226 A HN 1.076 nan 8.150 nan 0.000 0.459 227 G N 0.661 109.480 108.800 0.032 0.000 2.630 227 G HA2 0.439 4.401 3.960 0.003 0.000 0.223 227 G HA3 0.439 4.401 3.960 0.003 0.000 0.223 227 G C 0.295 175.196 174.900 0.002 0.000 1.434 227 G CA -0.752 44.358 45.100 0.018 0.000 1.057 227 G HN 0.858 nan 8.290 nan 0.000 0.570 228 R N 0.033 120.531 120.500 -0.005 0.000 2.590 228 R HA 0.386 4.728 4.340 0.003 0.000 0.274 228 R C 0.114 176.405 176.300 -0.015 0.000 1.061 228 R CA 0.535 56.627 56.100 -0.014 0.000 1.081 228 R CB 0.090 30.386 30.300 -0.007 0.000 0.984 228 R HN 0.648 nan 8.270 nan 0.000 0.448 229 M N 0.115 119.700 119.600 -0.025 0.000 3.767 229 M HA 0.259 4.740 4.480 0.003 0.000 0.327 229 M C -1.069 175.209 176.300 -0.036 0.000 1.529 229 M CA -1.011 54.275 55.300 -0.022 0.000 0.871 229 M CB 1.287 33.874 32.600 -0.021 0.000 2.008 229 M HN 0.488 nan 8.290 nan 0.000 0.485 230 S N 0.729 116.413 115.700 -0.026 0.000 2.523 230 S HA 0.606 5.077 4.470 0.003 0.000 0.275 230 S C 1.099 175.671 174.600 -0.047 0.000 1.281 230 S CA -0.140 58.039 58.200 -0.036 0.000 1.050 230 S CB 1.301 64.497 63.200 -0.007 0.000 0.937 230 S HN 1.093 nan 8.310 nan 0.000 0.492 231 A N 2.549 125.320 122.820 -0.082 0.000 2.016 231 A HA -0.260 4.061 4.320 0.003 0.000 0.225 231 A C 2.128 179.695 177.584 -0.030 0.000 1.230 231 A CA 2.173 54.169 52.037 -0.069 0.000 0.678 231 A CB -0.807 18.134 19.000 -0.099 0.000 0.826 231 A HN 0.879 nan 8.150 nan 0.000 0.484 232 E N -0.904 119.282 120.200 -0.022 0.000 2.170 232 E HA -0.083 4.269 4.350 0.003 0.000 0.191 232 E C 1.883 178.484 176.600 0.002 0.000 0.981 232 E CA 1.034 57.430 56.400 -0.006 0.000 0.830 232 E CB -0.281 29.416 29.700 -0.004 0.000 0.775 232 E HN 0.831 nan 8.360 nan 0.000 0.470 233 E N 0.035 120.233 120.200 -0.003 0.000 2.274 233 E HA -0.048 4.303 4.350 0.003 0.000 0.194 233 E C 1.924 178.529 176.600 0.009 0.000 0.996 233 E CA 0.641 57.041 56.400 -0.000 0.000 0.840 233 E CB -0.010 29.684 29.700 -0.009 0.000 0.772 233 E HN 0.222 nan 8.360 nan 0.000 0.491 234 G N 1.002 109.807 108.800 0.008 0.000 2.448 234 G HA2 -0.204 3.758 3.960 0.003 0.000 0.218 234 G HA3 -0.204 3.758 3.960 0.003 0.000 0.218 234 G C 1.479 176.404 174.900 0.041 0.000 1.135 234 G CA 0.247 45.361 45.100 0.023 0.000 0.784 234 G HN 0.068 nan 8.290 nan 0.000 0.543 235 K N 0.126 120.546 120.400 0.034 0.000 2.116 235 K HA 0.060 4.382 4.320 0.003 0.000 0.203 235 K C 2.458 179.096 176.600 0.062 0.000 1.052 235 K CA 0.714 57.026 56.287 0.043 0.000 0.952 235 K CB -0.021 32.497 32.500 0.030 0.000 0.729 235 K HN 0.136 nan 8.250 nan 0.000 0.446 236 K N 0.331 120.764 120.400 0.056 0.000 2.148 236 K HA -0.069 4.253 4.320 0.003 0.000 0.204 236 K C 1.920 178.596 176.600 0.126 0.000 1.050 236 K CA 0.765 57.094 56.287 0.072 0.000 0.942 236 K CB 0.104 32.625 32.500 0.034 0.000 0.724 236 K HN -0.080 nan 8.250 nan 0.000 0.446 237 V N 0.991 120.973 119.914 0.114 0.000 2.379 237 V HA -0.207 3.915 4.120 0.003 0.000 0.245 237 V C 2.217 178.477 176.094 0.276 0.000 1.044 237 V CA 1.944 64.357 62.300 0.187 0.000 1.036 237 V CB -0.367 31.524 31.823 0.113 0.000 0.664 237 V HN 0.349 nan 8.190 nan 0.000 0.453 238 A N -0.438 122.486 122.820 0.174 0.000 1.902 238 A HA -0.191 4.130 4.320 0.003 0.000 0.217 238 A C 2.133 179.801 177.584 0.141 0.000 1.181 238 A CA 1.867 53.990 52.037 0.144 0.000 0.623 238 A CB -0.576 18.479 19.000 0.091 0.000 0.818 238 A HN 0.422 nan 8.150 nan 0.000 0.443 239 L N -2.272 119.036 121.223 0.142 0.000 2.012 239 L HA -0.171 4.171 4.340 0.003 0.000 0.210 239 L C 2.271 179.235 176.870 0.157 0.000 1.073 239 L CA 2.057 56.969 54.840 0.120 0.000 0.748 239 L CB -0.736 41.393 42.059 0.116 0.000 0.891 239 L HN 0.716 nan 8.230 nan 0.000 0.431 240 W N 0.041 121.353 121.300 0.020 0.000 2.318 240 W HA -0.324 4.337 4.660 0.003 0.000 0.313 240 W C 2.397 178.911 176.519 -0.008 0.000 1.221 240 W CA 2.509 59.865 57.345 0.019 0.000 1.266 240 W CB -0.343 29.149 29.460 0.054 0.000 1.150 240 W HN 0.186 nan 8.180 nan 0.000 0.496 241 A N -0.681 122.156 122.820 0.028 0.000 1.898 241 A HA -0.199 4.123 4.320 0.003 0.000 0.214 241 A C 1.977 179.462 177.584 -0.165 0.000 1.183 241 A CA 1.551 53.479 52.037 -0.181 0.000 0.622 241 A CB -1.076 17.976 19.000 0.086 0.000 0.824 241 A HN 0.492 nan 8.150 nan 0.000 0.444 242 Q N -0.385 119.381 119.800 -0.058 0.000 2.152 242 Q HA -0.197 4.145 4.340 0.003 0.000 0.206 242 Q C 1.973 177.907 176.000 -0.110 0.000 0.985 242 Q CA 2.268 58.037 55.803 -0.056 0.000 0.863 242 Q CB -0.279 28.447 28.738 -0.020 0.000 0.904 242 Q HN 0.667 nan 8.270 nan 0.000 0.422 243 T N 1.131 115.589 114.554 -0.158 0.000 2.643 243 T HA -0.139 4.213 4.350 0.003 0.000 0.264 243 T C 1.766 176.292 174.700 -0.291 0.000 1.045 243 T CA 1.367 63.350 62.100 -0.196 0.000 1.155 243 T CB -0.335 68.426 68.868 -0.179 0.000 0.863 243 T HN 0.263 nan 8.240 nan 0.000 0.420 244 L N 0.796 121.706 121.223 -0.523 0.000 2.349 244 L HA 0.047 4.388 4.340 0.003 0.000 0.220 244 L C 2.022 178.691 176.870 -0.335 0.000 1.130 244 L CA 0.897 55.309 54.840 -0.714 0.000 0.791 244 L CB -0.905 40.233 42.059 -1.535 0.000 0.918 244 L HN 0.608 nan 8.230 nan 0.000 0.444 245 G N -2.131 106.590 108.800 -0.132 0.000 2.147 245 G HA2 -0.246 3.715 3.960 0.003 0.000 0.244 245 G HA3 -0.246 3.715 3.960 0.003 0.000 0.244 245 G C -0.347 174.724 174.900 0.284 0.000 1.005 245 G CA -0.363 44.785 45.100 0.080 0.000 0.713 245 G HN 0.169 nan 8.290 nan 0.000 0.515 246 W N 1.028 122.296 121.300 -0.053 0.000 2.469 246 W HA 0.579 5.240 4.660 0.002 0.000 0.320 246 W C -1.736 174.706 176.519 -0.128 0.000 1.086 246 W CA -3.169 54.170 57.345 -0.010 0.000 1.211 246 W CB 0.842 30.343 29.460 0.068 0.000 1.298 246 W HN -0.007 nan 8.180 nan 0.000 0.525 247 P HA 0.062 nan 4.420 nan 0.000 0.271 247 P C -0.761 176.577 177.300 0.063 0.000 1.216 247 P CA -0.216 62.826 63.100 -0.097 0.000 0.776 247 P CB 1.275 32.811 31.700 -0.273 0.000 0.881 248 L N 4.770 126.036 121.223 0.071 0.000 2.272 248 L HA 0.412 4.754 4.340 0.003 0.000 0.289 248 L C -0.413 176.533 176.870 0.126 0.000 1.032 248 L CA -0.633 54.280 54.840 0.122 0.000 0.810 248 L CB 0.218 42.346 42.059 0.115 0.000 1.205 248 L HN 0.245 nan 8.230 nan 0.000 0.422 249 I N 5.352 125.992 120.570 0.117 0.000 2.307 249 I HA 0.496 4.668 4.170 0.003 0.000 0.289 249 I C 0.637 176.796 176.117 0.071 0.000 1.021 249 I CA -0.216 61.130 61.300 0.076 0.000 1.224 249 I CB 1.173 39.182 38.000 0.015 0.000 1.376 249 I HN 0.760 nan 8.210 nan 0.000 0.470 250 G N 3.766 112.599 108.800 0.055 0.000 2.482 250 G HA2 0.412 4.373 3.960 0.003 0.000 0.317 250 G HA3 0.412 4.373 3.960 0.003 0.000 0.317 250 G C -1.490 173.419 174.900 0.016 0.000 1.241 250 G CA -0.394 44.734 45.100 0.047 0.000 0.967 250 G HN 0.482 nan 8.290 nan 0.000 0.482 251 D N 0.155 120.562 120.400 0.012 0.000 2.283 251 D HA 0.296 4.937 4.640 0.003 0.000 0.248 251 D C 1.926 178.219 176.300 -0.012 0.000 1.072 251 D CA -0.348 53.648 54.000 -0.006 0.000 0.929 251 D CB 1.846 42.644 40.800 -0.003 0.000 1.182 251 D HN 0.171 nan 8.370 nan 0.000 0.433 252 V N 1.645 121.545 119.914 -0.023 0.000 2.495 252 V HA -0.265 3.856 4.120 0.003 0.000 0.260 252 V C 1.804 177.879 176.094 -0.032 0.000 1.097 252 V CA 1.509 63.793 62.300 -0.027 0.000 1.105 252 V CB -1.051 30.750 31.823 -0.037 0.000 0.678 252 V HN 0.579 nan 8.190 nan 0.000 0.469 253 L N 0.896 122.099 121.223 -0.033 0.000 2.592 253 L HA 0.106 4.447 4.340 0.003 0.000 0.227 253 L C 2.411 179.258 176.870 -0.038 0.000 1.127 253 L CA 0.919 55.733 54.840 -0.043 0.000 0.884 253 L CB -0.133 41.903 42.059 -0.039 0.000 1.065 253 L HN 0.594 nan 8.230 nan 0.000 0.457 254 S N -1.224 114.463 115.700 -0.020 0.000 2.470 254 S HA -0.076 4.395 4.470 0.003 0.000 0.222 254 S C 0.943 175.536 174.600 -0.011 0.000 1.024 254 S CA -0.158 58.036 58.200 -0.009 0.000 0.931 254 S CB 0.078 63.286 63.200 0.014 0.000 0.791 254 S HN 0.441 nan 8.310 nan 0.000 0.513 255 Q N 0.986 120.779 119.800 -0.011 0.000 2.468 255 Q HA -0.139 4.202 4.340 0.003 0.000 0.289 255 Q C 0.561 176.570 176.000 0.015 0.000 1.299 255 Q CA 1.013 56.815 55.803 -0.000 0.000 0.838 255 Q CB -2.577 26.148 28.738 -0.022 0.000 1.195 255 Q HN 0.879 nan 8.270 nan 0.000 0.456 256 T N -5.405 109.163 114.554 0.024 0.000 3.044 256 T HA 0.413 4.765 4.350 0.003 0.000 0.250 256 T C 1.499 176.220 174.700 0.034 0.000 1.081 256 T CA 0.408 62.532 62.100 0.039 0.000 1.040 256 T CB 0.881 69.783 68.868 0.056 0.000 0.962 256 T HN 0.963 nan 8.240 nan 0.000 0.506 257 G N 1.858 110.672 108.800 0.023 0.000 2.175 257 G HA2 -0.304 3.657 3.960 0.003 0.000 0.244 257 G HA3 -0.304 3.657 3.960 0.003 0.000 0.244 257 G C 0.086 174.996 174.900 0.015 0.000 0.982 257 G CA -0.148 44.960 45.100 0.014 0.000 0.641 257 G HN 0.647 nan 8.290 nan 0.000 0.527 258 Q N -1.358 118.459 119.800 0.028 0.000 2.434 258 Q HA -0.191 4.151 4.340 0.003 0.000 0.366 258 Q C -1.095 174.931 176.000 0.043 0.000 1.398 258 Q CA 0.681 56.509 55.803 0.041 0.000 1.074 258 Q CB -0.654 28.103 28.738 0.032 0.000 1.236 258 Q HN 0.561 nan 8.270 nan 0.000 0.329 259 P HA -0.118 nan 4.420 nan 0.000 0.225 259 P C 0.272 177.584 177.300 0.021 0.000 1.156 259 P CA 1.090 64.201 63.100 0.020 0.000 0.787 259 P CB 0.353 32.059 31.700 0.010 0.000 0.802 260 L N 0.940 122.211 121.223 0.079 0.000 2.709 260 L HA 0.393 4.735 4.340 0.003 0.000 0.236 260 L C -2.350 174.726 176.870 0.343 0.000 1.266 260 L CA -2.188 52.738 54.840 0.144 0.000 0.987 260 L CB 0.649 42.820 42.059 0.188 0.000 1.306 260 L HN -0.136 nan 8.230 nan 0.000 0.467 261 P HA 0.096 nan 4.420 nan 0.000 0.273 261 P C 0.426 177.880 177.300 0.257 0.000 1.250 261 P CA -0.287 62.919 63.100 0.177 0.000 0.793 261 P CB 0.610 32.366 31.700 0.093 0.000 1.011 262 C N -1.421 117.938 119.300 0.099 0.000 4.454 262 C HA -0.094 4.368 4.460 0.003 0.000 0.298 262 C C 1.961 176.816 174.990 -0.224 0.000 1.384 262 C CA 0.231 59.265 59.018 0.026 0.000 2.002 262 C CB -3.197 24.610 27.740 0.112 0.000 1.249 262 C HN 0.739 nan 8.230 nan 0.000 0.783 263 A N -0.185 122.335 122.820 -0.501 0.000 2.076 263 A HA -0.161 4.160 4.320 0.003 0.000 0.220 263 A C 1.806 178.912 177.584 -0.796 0.000 1.160 263 A CA 2.277 53.536 52.037 -1.296 0.000 0.653 263 A CB -0.309 18.142 19.000 -0.914 0.000 0.801 263 A HN 0.701 nan 8.150 nan 0.000 0.455 264 D N -0.768 119.396 120.400 -0.394 0.000 2.312 264 D HA 0.005 4.647 4.640 0.003 0.000 0.211 264 D C 1.690 177.871 176.300 -0.199 0.000 0.964 264 D CA 0.722 54.573 54.000 -0.247 0.000 0.877 264 D CB 0.004 40.718 40.800 -0.143 0.000 0.924 264 D HN 0.483 nan 8.370 nan 0.000 0.515 265 L N -0.449 120.661 121.223 -0.189 0.000 2.262 265 L HA 0.118 4.460 4.340 0.003 0.000 0.197 265 L C 2.319 179.172 176.870 -0.029 0.000 1.073 265 L CA 0.203 54.996 54.840 -0.079 0.000 0.800 265 L CB -0.659 41.392 42.059 -0.013 0.000 0.987 265 L HN 0.277 nan 8.230 nan 0.000 0.470 266 W N 0.136 121.395 121.300 -0.069 0.000 2.699 266 W HA -0.007 4.655 4.660 0.003 0.000 0.249 266 W C 1.273 177.733 176.519 -0.098 0.000 1.280 266 W CA 0.073 57.368 57.345 -0.084 0.000 1.345 266 W CB -0.554 28.851 29.460 -0.092 0.000 1.128 266 W HN 0.128 nan 8.180 nan 0.000 0.642 267 L N 1.744 122.799 121.223 -0.279 0.000 2.551 267 L HA 0.109 4.451 4.340 0.003 0.000 0.228 267 L C 2.425 179.263 176.870 -0.053 0.000 1.153 267 L CA 1.169 55.870 54.840 -0.232 0.000 0.851 267 L CB -0.718 41.097 42.059 -0.407 0.000 0.959 267 L HN 0.113 nan 8.230 nan 0.000 0.451 268 G N -1.359 107.424 108.800 -0.029 0.000 3.189 268 G HA2 -0.062 3.899 3.960 0.003 0.000 0.225 268 G HA3 -0.062 3.899 3.960 0.003 0.000 0.225 268 G C 0.373 175.270 174.900 -0.005 0.000 1.159 268 G CA -0.279 44.811 45.100 -0.017 0.000 0.763 268 G HN 0.129 nan 8.290 nan 0.000 0.549 269 N N 0.972 119.694 118.700 0.036 0.000 2.426 269 N HA 0.354 5.096 4.740 0.003 0.000 0.275 269 N C 1.462 176.997 175.510 0.042 0.000 1.019 269 N CA 0.207 53.276 53.050 0.032 0.000 0.941 269 N CB 1.766 40.285 38.487 0.052 0.000 1.123 269 N HN -0.040 nan 8.380 nan 0.000 0.486 270 A N 5.002 127.841 122.820 0.031 0.000 1.958 270 A HA -0.228 4.094 4.320 0.003 0.000 0.221 270 A C 1.987 179.595 177.584 0.041 0.000 1.178 270 A CA 1.586 53.647 52.037 0.041 0.000 0.642 270 A CB -0.295 18.727 19.000 0.038 0.000 0.816 270 A HN 0.830 nan 8.150 nan 0.000 0.453 271 K N -0.500 119.917 120.400 0.028 0.000 2.044 271 K HA -0.148 4.173 4.320 0.003 0.000 0.210 271 K C 2.381 178.984 176.600 0.006 0.000 1.049 271 K CA 1.238 57.532 56.287 0.011 0.000 0.927 271 K CB -0.464 32.031 32.500 -0.008 0.000 0.713 271 K HN 0.481 nan 8.250 nan 0.000 0.443 272 A N 1.454 124.291 122.820 0.027 0.000 1.869 272 A HA -0.259 4.062 4.320 0.003 0.000 0.218 272 A C 2.340 179.946 177.584 0.037 0.000 1.203 272 A CA 2.828 54.902 52.037 0.062 0.000 0.638 272 A CB -1.508 17.624 19.000 0.220 0.000 0.831 272 A HN 0.472 nan 8.150 nan 0.000 0.450 273 T N -0.879 113.710 114.554 0.058 0.000 2.759 273 T HA -0.141 4.211 4.350 0.003 0.000 0.269 273 T C 2.066 176.836 174.700 0.117 0.000 1.042 273 T CA 1.740 63.901 62.100 0.102 0.000 1.140 273 T CB -0.551 68.393 68.868 0.128 0.000 0.864 273 T HN 0.395 nan 8.240 nan 0.000 0.455 274 S N 1.082 116.831 115.700 0.082 0.000 2.368 274 S HA -0.074 4.398 4.470 0.003 0.000 0.224 274 S C 2.099 176.756 174.600 0.095 0.000 1.029 274 S CA 1.117 59.366 58.200 0.082 0.000 0.988 274 S CB -0.281 62.952 63.200 0.056 0.000 0.838 274 S HN 0.653 nan 8.310 nan 0.000 0.462 275 E N 1.008 121.251 120.200 0.070 0.000 2.051 275 E HA -0.088 4.264 4.350 0.003 0.000 0.192 275 E C 1.924 178.635 176.600 0.185 0.000 0.991 275 E CA 0.865 57.320 56.400 0.093 0.000 0.799 275 E CB -0.148 29.537 29.700 -0.024 0.000 0.748 275 E HN 0.386 nan 8.360 nan 0.000 0.449 276 L N 0.523 121.821 121.223 0.125 0.000 2.191 276 L HA -0.184 4.158 4.340 0.003 0.000 0.212 276 L C 2.636 179.698 176.870 0.319 0.000 1.103 276 L CA 0.973 55.934 54.840 0.201 0.000 0.769 276 L CB -0.288 41.773 42.059 0.003 0.000 0.908 276 L HN 0.270 nan 8.230 nan 0.000 0.438 277 Q N -0.027 119.925 119.800 0.253 0.000 2.439 277 Q HA -0.224 4.117 4.340 0.003 0.000 0.211 277 Q C 1.910 177.990 176.000 0.133 0.000 0.978 277 Q CA 1.097 57.021 55.803 0.201 0.000 0.897 277 Q CB 0.145 28.974 28.738 0.153 0.000 0.956 277 Q HN 0.547 nan 8.270 nan 0.000 0.483 278 Q N -0.753 119.128 119.800 0.135 0.000 2.424 278 Q HA 0.177 4.519 4.340 0.003 0.000 0.204 278 Q C -0.071 175.850 176.000 -0.132 0.000 0.933 278 Q CA 0.156 55.968 55.803 0.015 0.000 0.929 278 Q CB 0.478 29.235 28.738 0.032 0.000 1.037 278 Q HN 0.261 nan 8.270 nan 0.000 0.511 279 A N 0.981 123.787 122.820 -0.023 0.000 2.492 279 A HA 0.006 4.328 4.320 0.003 0.000 0.254 279 A C 0.541 178.033 177.584 -0.153 0.000 1.091 279 A CA -0.096 51.850 52.037 -0.151 0.000 0.768 279 A CB 0.422 19.458 19.000 0.060 0.000 1.028 279 A HN 0.290 nan 8.150 nan 0.000 0.498 280 Q N 1.015 120.669 119.800 -0.244 0.000 2.354 280 Q HA 0.228 4.570 4.340 0.003 0.000 0.203 280 Q C -0.005 175.931 176.000 -0.107 0.000 0.933 280 Q CA 0.741 56.483 55.803 -0.102 0.000 0.901 280 Q CB 0.252 28.955 28.738 -0.058 0.000 1.007 280 Q HN 0.783 nan 8.270 nan 0.000 0.495 281 I N -0.591 119.816 120.570 -0.273 0.000 2.722 281 I HA 0.311 4.482 4.170 0.003 0.000 0.295 281 I C -1.714 174.154 176.117 -0.414 0.000 1.161 281 I CA -1.091 59.958 61.300 -0.418 0.000 1.032 281 I CB 2.237 39.907 38.000 -0.550 0.000 1.244 281 I HN -0.331 nan 8.210 nan 0.000 0.421 282 V N 6.981 126.633 119.914 -0.437 0.000 2.495 282 V HA 0.582 4.703 4.120 0.003 0.000 0.298 282 V C -0.678 175.103 176.094 -0.522 0.000 1.031 282 V CA -0.764 61.269 62.300 -0.445 0.000 0.871 282 V CB 1.667 33.162 31.823 -0.546 0.000 0.988 282 V HN 0.497 nan 8.190 nan 0.000 0.432 283 V N 4.615 124.424 119.914 -0.175 0.000 2.350 283 V HA 0.415 4.536 4.120 0.003 0.000 0.285 283 V C -0.121 175.983 176.094 0.017 0.000 1.014 283 V CA -0.421 61.884 62.300 0.009 0.000 0.831 283 V CB 1.385 33.434 31.823 0.376 0.000 1.000 283 V HN 0.962 nan 8.190 nan 0.000 0.433 284 Q N 4.971 124.717 119.800 -0.090 0.000 2.271 284 Q HA 0.588 4.930 4.340 0.003 0.000 0.258 284 Q C -1.605 174.353 176.000 -0.070 0.000 0.936 284 Q CA -0.667 55.123 55.803 -0.021 0.000 0.909 284 Q CB 1.404 30.176 28.738 0.057 0.000 1.253 284 Q HN 0.555 nan 8.270 nan 0.000 0.440 285 L N 3.001 124.194 121.223 -0.049 0.000 2.346 285 L HA 0.717 5.058 4.340 0.003 0.000 0.274 285 L C 0.724 177.567 176.870 -0.046 0.000 1.007 285 L CA 0.074 54.847 54.840 -0.112 0.000 0.818 285 L CB 0.596 42.581 42.059 -0.122 0.000 1.284 285 L HN 0.988 nan 8.230 nan 0.000 0.424 286 G N 2.605 111.370 108.800 -0.059 0.000 2.750 286 G HA2 -0.026 3.936 3.960 0.003 0.000 0.228 286 G HA3 -0.026 3.936 3.960 0.003 0.000 0.228 286 G C -0.338 174.559 174.900 -0.006 0.000 1.367 286 G CA -0.089 44.995 45.100 -0.026 0.000 0.871 286 G HN 1.177 nan 8.290 nan 0.000 0.560 287 S N -3.003 112.699 115.700 0.004 0.000 2.683 287 S HA 0.776 5.247 4.470 0.003 0.000 0.269 287 S C 0.378 174.984 174.600 0.010 0.000 1.165 287 S CA 0.538 58.747 58.200 0.014 0.000 0.840 287 S CB 1.231 64.437 63.200 0.009 0.000 1.169 287 S HN 2.489 nan 8.310 nan 0.000 0.490 288 S N 0.228 115.933 115.700 0.008 0.000 3.672 288 S HA -0.098 4.373 4.470 0.003 0.000 0.319 288 S C 0.082 174.682 174.600 0.001 0.000 1.151 288 S CA 0.184 58.385 58.200 0.002 0.000 0.911 288 S CB -1.563 61.636 63.200 -0.001 0.000 0.939 288 S HN 0.764 nan 8.310 nan 0.000 0.524 289 L N 1.394 122.624 121.223 0.012 0.000 2.628 289 L HA -0.012 4.330 4.340 0.003 0.000 0.292 289 L C 1.878 178.746 176.870 -0.003 0.000 1.250 289 L CA 1.353 56.201 54.840 0.014 0.000 0.892 289 L CB -0.719 41.362 42.059 0.036 0.000 1.138 289 L HN 0.379 nan 8.230 nan 0.000 0.502 290 T N 1.826 116.372 114.554 -0.014 0.000 2.837 290 T HA 0.077 4.428 4.350 0.003 0.000 0.248 290 T C 0.901 175.583 174.700 -0.030 0.000 1.033 290 T CA 0.825 62.910 62.100 -0.026 0.000 1.150 290 T CB -0.059 68.788 68.868 -0.036 0.000 0.865 290 T HN 0.777 nan 8.240 nan 0.000 0.425 291 G N 0.584 109.361 108.800 -0.037 0.000 2.476 291 G HA2 0.312 4.274 3.960 0.003 0.000 0.269 291 G HA3 0.312 4.274 3.960 0.003 0.000 0.269 291 G C 0.679 175.558 174.900 -0.036 0.000 1.195 291 G CA -0.484 44.590 45.100 -0.045 0.000 0.843 291 G HN 0.191 nan 8.290 nan 0.000 0.545 292 K N 0.286 120.665 120.400 -0.035 0.000 2.059 292 K HA -0.176 4.146 4.320 0.003 0.000 0.212 292 K C 2.416 179.007 176.600 -0.015 0.000 1.050 292 K CA 1.306 57.579 56.287 -0.023 0.000 0.927 292 K CB -0.006 32.480 32.500 -0.023 0.000 0.714 292 K HN 0.413 nan 8.250 nan 0.000 0.447 293 R N 0.258 120.739 120.500 -0.032 0.000 2.153 293 R HA -0.063 4.278 4.340 0.003 0.000 0.218 293 R C 2.237 178.559 176.300 0.035 0.000 1.072 293 R CA 0.385 56.475 56.100 -0.015 0.000 0.990 293 R CB -0.665 29.595 30.300 -0.066 0.000 0.889 293 R HN 0.217 nan 8.270 nan 0.000 0.452 294 L N 1.388 122.616 121.223 0.010 0.000 2.005 294 L HA -0.057 4.285 4.340 0.003 0.000 0.207 294 L C 2.097 179.049 176.870 0.137 0.000 1.072 294 L CA 1.541 56.438 54.840 0.095 0.000 0.744 294 L CB -0.837 41.239 42.059 0.029 0.000 0.895 294 L HN 0.028 nan 8.230 nan 0.000 0.433 295 L N -0.739 120.516 121.223 0.054 0.000 2.127 295 L HA -0.251 4.091 4.340 0.003 0.000 0.211 295 L C 2.642 179.515 176.870 0.005 0.000 1.089 295 L CA 1.387 56.239 54.840 0.020 0.000 0.757 295 L CB -0.608 41.448 42.059 -0.006 0.000 0.899 295 L HN 0.420 nan 8.230 nan 0.000 0.434 296 Q N -1.530 118.288 119.800 0.030 0.000 2.123 296 Q HA -0.228 4.114 4.340 0.003 0.000 0.199 296 Q C 2.036 178.077 176.000 0.069 0.000 0.966 296 Q CA 1.653 57.474 55.803 0.030 0.000 0.845 296 Q CB -0.286 28.476 28.738 0.039 0.000 0.907 296 Q HN 0.592 nan 8.270 nan 0.000 0.439 297 W N 2.220 123.510 121.300 -0.017 0.000 2.355 297 W HA -0.196 4.466 4.660 0.003 0.000 0.309 297 W C 2.265 178.812 176.519 0.046 0.000 1.206 297 W CA 1.775 59.124 57.345 0.007 0.000 1.284 297 W CB -0.234 29.218 29.460 -0.013 0.000 1.145 297 W HN 0.105 nan 8.180 nan 0.000 0.502 298 Q N 0.353 120.021 119.800 -0.220 0.000 2.084 298 Q HA -0.209 4.133 4.340 0.003 0.000 0.202 298 Q C 2.200 178.058 176.000 -0.237 0.000 0.978 298 Q CA 2.184 57.769 55.803 -0.363 0.000 0.844 298 Q CB -0.572 28.114 28.738 -0.088 0.000 0.898 298 Q HN 0.299 nan 8.270 nan 0.000 0.426 299 A N 0.891 123.613 122.820 -0.164 0.000 1.883 299 A HA -0.229 4.093 4.320 0.003 0.000 0.217 299 A C 2.246 179.729 177.584 -0.167 0.000 1.186 299 A CA 2.438 54.375 52.037 -0.168 0.000 0.624 299 A CB -0.821 18.102 19.000 -0.127 0.000 0.822 299 A HN 0.648 nan 8.150 nan 0.000 0.444 300 S N -0.907 114.705 115.700 -0.147 0.000 2.458 300 S HA -0.028 4.444 4.470 0.003 0.000 0.223 300 S C 1.214 175.766 174.600 -0.081 0.000 1.019 300 S CA 0.342 58.485 58.200 -0.096 0.000 0.937 300 S CB -1.792 61.386 63.200 -0.037 0.000 0.788 300 S HN 1.135 nan 8.310 nan 0.000 0.511 301 C N 2.642 121.814 119.300 -0.214 0.000 2.702 301 C HA 0.418 4.879 4.460 0.003 0.000 0.411 301 C C 0.211 175.198 174.990 -0.004 0.000 1.286 301 C CA -0.701 58.184 59.018 -0.223 0.000 1.979 301 C CB -0.589 26.680 27.740 -0.786 0.000 2.728 301 C HN 0.615 nan 8.230 nan 0.000 0.652 302 E N 2.979 123.192 120.200 0.021 0.000 3.909 302 E HA 0.267 4.618 4.350 0.003 0.000 0.236 302 E C -2.259 174.375 176.600 0.056 0.000 1.222 302 E CA -1.020 55.427 56.400 0.078 0.000 1.205 302 E CB 0.323 30.066 29.700 0.072 0.000 1.249 302 E HN 0.732 nan 8.360 nan 0.000 0.411 303 P HA -0.006 nan 4.420 nan 0.000 0.271 303 P C 0.481 177.804 177.300 0.038 0.000 1.238 303 P CA -0.012 63.088 63.100 0.000 0.000 0.794 303 P CB 1.329 32.987 31.700 -0.069 0.000 0.959 304 E N -0.513 119.715 120.200 0.048 0.000 2.153 304 E HA -0.111 4.240 4.350 0.003 0.000 0.194 304 E C 0.362 177.001 176.600 0.064 0.000 0.988 304 E CA 1.134 57.600 56.400 0.110 0.000 0.811 304 E CB 0.254 30.101 29.700 0.246 0.000 0.746 304 E HN 0.510 nan 8.360 nan 0.000 0.466 305 E N -1.234 118.924 120.200 -0.069 0.000 2.383 305 E HA 0.290 4.642 4.350 0.003 0.000 0.275 305 E C -1.813 174.756 176.600 -0.052 0.000 0.918 305 E CA -0.618 55.734 56.400 -0.081 0.000 0.764 305 E CB 1.959 31.461 29.700 -0.330 0.000 1.252 305 E HN -0.074 nan 8.360 nan 0.000 0.449 306 Y N 1.611 121.929 120.300 0.030 0.000 2.329 306 Y HA 0.357 4.909 4.550 0.003 0.000 0.328 306 Y C -1.642 174.457 175.900 0.330 0.000 0.992 306 Y CA -0.747 57.369 58.100 0.027 0.000 1.151 306 Y CB 0.923 39.305 38.460 -0.131 0.000 1.150 306 Y HN 0.432 nan 8.280 nan 0.000 0.450 307 W N 7.457 128.646 121.300 -0.184 0.000 2.376 307 W HA 0.599 5.261 4.660 0.003 0.000 0.312 307 W C -0.994 175.449 176.519 -0.127 0.000 1.060 307 W CA -1.612 55.663 57.345 -0.117 0.000 1.221 307 W CB 0.987 30.365 29.460 -0.137 0.000 1.281 307 W HN 0.339 nan 8.180 nan 0.000 0.456 308 I N 3.877 124.525 120.570 0.129 0.000 2.354 308 I HA 0.299 4.471 4.170 0.003 0.000 0.292 308 I C -0.285 175.716 176.117 -0.193 0.000 0.989 308 I CA -1.017 60.284 61.300 0.000 0.000 1.188 308 I CB 1.176 39.218 38.000 0.070 0.000 1.342 308 I HN -0.127 nan 8.210 nan 0.000 0.457 309 V N 5.584 125.300 119.914 -0.329 0.000 2.347 309 V HA 0.469 4.591 4.120 0.003 0.000 0.280 309 V C -0.443 175.481 176.094 -0.284 0.000 1.021 309 V CA -0.265 61.728 62.300 -0.511 0.000 0.847 309 V CB 1.336 32.548 31.823 -1.019 0.000 0.990 309 V HN 0.657 nan 8.190 nan 0.000 0.444 310 D N 2.242 122.523 120.400 -0.199 0.000 2.655 310 D HA 0.216 4.857 4.640 0.003 0.000 0.229 310 D C -0.250 176.023 176.300 -0.045 0.000 1.229 310 D CA -0.371 53.567 54.000 -0.103 0.000 0.807 310 D CB 2.616 43.381 40.800 -0.058 0.000 1.514 310 D HN 0.643 nan 8.370 nan 0.000 0.444 311 D N 1.101 121.505 120.400 0.007 0.000 2.323 311 D HA 0.032 4.674 4.640 0.003 0.000 0.239 311 D C 0.874 177.292 176.300 0.197 0.000 1.129 311 D CA 0.026 54.085 54.000 0.098 0.000 0.865 311 D CB -0.207 40.631 40.800 0.063 0.000 0.913 311 D HN 0.459 nan 8.370 nan 0.000 0.517 312 I N -3.343 117.285 120.570 0.098 0.000 2.693 312 I HA 0.516 4.687 4.170 0.003 0.000 0.303 312 I C -0.326 175.799 176.117 0.013 0.000 1.025 312 I CA -1.170 60.189 61.300 0.098 0.000 1.086 312 I CB 2.072 40.111 38.000 0.064 0.000 1.268 312 I HN -0.317 nan 8.210 nan 0.000 0.440 313 E N 2.491 122.680 120.200 -0.018 0.000 2.312 313 E HA 0.599 4.951 4.350 0.003 0.000 0.259 313 E C 0.244 176.817 176.600 -0.045 0.000 1.122 313 E CA -0.269 56.086 56.400 -0.075 0.000 0.922 313 E CB 1.004 30.634 29.700 -0.117 0.000 1.109 313 E HN 1.107 nan 8.360 nan 0.000 0.442 314 G N 0.764 109.534 108.800 -0.050 0.000 2.828 314 G HA2 -0.277 3.685 3.960 0.003 0.000 0.463 314 G HA3 -0.277 3.685 3.960 0.003 0.000 0.463 314 G C -0.713 174.175 174.900 -0.020 0.000 1.394 314 G CA -0.718 44.362 45.100 -0.033 0.000 0.862 314 G HN 0.480 nan 8.290 nan 0.000 0.540 315 R N -0.502 119.994 120.500 -0.006 0.000 2.442 315 R HA 0.405 4.747 4.340 0.003 0.000 0.291 315 R C 0.901 177.209 176.300 0.014 0.000 1.069 315 R CA -0.093 56.015 56.100 0.013 0.000 1.022 315 R CB 0.427 30.751 30.300 0.039 0.000 0.976 315 R HN 0.423 nan 8.270 nan 0.000 0.443 316 L N 0.993 122.223 121.223 0.013 0.000 2.906 316 L HA 0.198 4.540 4.340 0.003 0.000 0.255 316 L C 0.080 176.946 176.870 -0.007 0.000 1.166 316 L CA -0.037 54.807 54.840 0.007 0.000 0.977 316 L CB 0.281 42.345 42.059 0.009 0.000 1.313 316 L HN 0.511 nan 8.230 nan 0.000 0.549 317 D N 0.952 121.336 120.400 -0.026 0.000 2.479 317 D HA 0.224 4.866 4.640 0.003 0.000 0.247 317 D C -1.533 174.616 176.300 -0.252 0.000 1.119 317 D CA -2.128 51.802 54.000 -0.116 0.000 0.922 317 D CB 1.424 42.152 40.800 -0.120 0.000 1.014 317 D HN -0.180 nan 8.370 nan 0.000 0.510 318 P HA -0.204 nan 4.420 nan 0.000 0.218 318 P C 0.943 177.698 177.300 -0.908 0.000 1.154 318 P CA 1.275 64.123 63.100 -0.420 0.000 0.872 318 P CB 0.212 31.770 31.700 -0.237 0.000 0.790 319 A N -1.855 120.552 122.820 -0.689 0.000 2.169 319 A HA -0.070 4.251 4.320 0.003 0.000 0.212 319 A C 0.191 177.368 177.584 -0.679 0.000 1.153 319 A CA 0.366 51.981 52.037 -0.705 0.000 0.756 319 A CB -1.039 17.617 19.000 -0.574 0.000 0.813 319 A HN 0.307 nan 8.150 nan 0.000 0.471 320 H N -0.777 118.139 119.070 -0.257 0.000 2.882 320 H HA -0.142 4.416 4.556 0.003 0.000 0.314 320 H C -0.611 174.609 175.328 -0.180 0.000 1.270 320 H CA 0.868 56.812 56.048 -0.173 0.000 1.165 320 H CB -2.572 27.110 29.762 -0.132 0.000 1.436 320 H HN 0.787 nan 8.280 nan 0.000 0.431 321 H N 0.343 119.337 119.070 -0.126 0.000 2.690 321 H HA 0.235 4.792 4.556 0.003 0.000 0.365 321 H C 1.268 176.603 175.328 0.013 0.000 1.142 321 H CA -0.195 55.799 56.048 -0.089 0.000 1.417 321 H CB 0.732 30.395 29.762 -0.164 0.000 1.446 321 H HN 0.303 nan 8.280 nan 0.000 0.599 322 R N 1.373 121.979 120.500 0.176 0.000 2.522 322 R HA 0.276 4.618 4.340 0.003 0.000 0.284 322 R C 0.209 176.628 176.300 0.198 0.000 1.032 322 R CA 0.991 57.182 56.100 0.152 0.000 1.049 322 R CB -0.283 30.094 30.300 0.128 0.000 0.956 322 R HN 0.931 nan 8.270 nan 0.000 0.422 323 G N 3.386 112.292 108.800 0.176 0.000 2.530 323 G HA2 0.091 4.052 3.960 0.003 0.000 0.081 323 G HA3 0.091 4.052 3.960 0.003 0.000 0.081 323 G C -1.427 173.535 174.900 0.104 0.000 1.062 323 G CA -0.784 44.445 45.100 0.215 0.000 1.108 323 G HN 0.584 nan 8.290 nan 0.000 0.466 324 R N -0.724 119.811 120.500 0.059 0.000 2.707 324 R HA 0.763 5.105 4.340 0.003 0.000 0.272 324 R C -1.354 174.898 176.300 -0.081 0.000 1.011 324 R CA -1.053 54.972 56.100 -0.125 0.000 0.893 324 R CB 2.387 32.399 30.300 -0.479 0.000 1.233 324 R HN 0.498 nan 8.270 nan 0.000 0.464 325 R N 2.225 122.663 120.500 -0.104 0.000 2.422 325 R HA 0.402 4.744 4.340 0.003 0.000 0.307 325 R C -1.685 174.532 176.300 -0.139 0.000 1.004 325 R CA -0.413 55.635 56.100 -0.087 0.000 0.882 325 R CB 0.553 30.829 30.300 -0.041 0.000 1.164 325 R HN 0.607 nan 8.270 nan 0.000 0.489 326 L N 5.278 126.383 121.223 -0.196 0.000 2.307 326 L HA 0.590 4.932 4.340 0.003 0.000 0.284 326 L C -0.360 176.403 176.870 -0.178 0.000 1.023 326 L CA -0.984 53.733 54.840 -0.204 0.000 0.810 326 L CB 1.735 43.615 42.059 -0.298 0.000 1.231 326 L HN 0.470 nan 8.230 nan 0.000 0.423 327 I N 3.308 123.820 120.570 -0.097 0.000 2.306 327 I HA 0.697 4.868 4.170 0.003 0.000 0.288 327 I C 0.155 176.273 176.117 0.001 0.000 1.036 327 I CA 0.346 61.609 61.300 -0.060 0.000 1.221 327 I CB 1.238 39.195 38.000 -0.071 0.000 1.385 327 I HN 0.742 nan 8.210 nan 0.000 0.472 328 A N 5.359 128.182 122.820 0.006 0.000 2.610 328 A HA 0.437 4.758 4.320 0.003 0.000 0.291 328 A C -0.803 176.819 177.584 0.063 0.000 1.086 328 A CA -0.843 51.243 52.037 0.081 0.000 0.677 328 A CB 1.120 20.236 19.000 0.194 0.000 1.278 328 A HN 0.564 nan 8.150 nan 0.000 0.414 329 N N 0.644 119.393 118.700 0.081 0.000 2.454 329 N HA 0.062 4.804 4.740 0.003 0.000 0.260 329 N C 0.717 176.270 175.510 0.072 0.000 1.218 329 N CA 0.031 53.114 53.050 0.054 0.000 0.904 329 N CB 0.447 38.962 38.487 0.047 0.000 1.065 329 N HN 0.521 nan 8.380 nan 0.000 0.462 330 I N 3.589 124.176 120.570 0.028 0.000 2.202 330 I HA -0.251 3.921 4.170 0.003 0.000 0.242 330 I C 2.370 178.519 176.117 0.053 0.000 1.091 330 I CA 1.288 62.602 61.300 0.024 0.000 1.368 330 I CB -0.269 37.706 38.000 -0.042 0.000 1.058 330 I HN 0.696 nan 8.210 nan 0.000 0.410 331 A N 0.253 123.087 122.820 0.023 0.000 1.978 331 A HA -0.243 4.078 4.320 0.003 0.000 0.220 331 A C 1.890 179.483 177.584 0.014 0.000 1.170 331 A CA 2.145 54.186 52.037 0.008 0.000 0.636 331 A CB -0.586 18.417 19.000 0.005 0.000 0.810 331 A HN 0.351 nan 8.150 nan 0.000 0.448 332 D N -1.800 118.626 120.400 0.043 0.000 2.123 332 D HA -0.126 4.516 4.640 0.003 0.000 0.200 332 D C 1.505 177.826 176.300 0.035 0.000 0.976 332 D CA 0.893 54.913 54.000 0.034 0.000 0.831 332 D CB -0.379 40.455 40.800 0.057 0.000 0.974 332 D HN 0.718 nan 8.370 nan 0.000 0.469 333 W N 1.245 122.495 121.300 -0.084 0.000 2.358 333 W HA -0.066 4.595 4.660 0.002 0.000 0.303 333 W C 1.814 178.248 176.519 -0.142 0.000 1.208 333 W CA 1.053 58.355 57.345 -0.072 0.000 1.274 333 W CB -0.228 29.160 29.460 -0.119 0.000 1.138 333 W HN -0.076 nan 8.180 nan 0.000 0.515 334 L N 0.180 121.352 121.223 -0.084 0.000 2.201 334 L HA -0.155 4.187 4.340 0.003 0.000 0.212 334 L C 2.051 178.762 176.870 -0.264 0.000 1.105 334 L CA 1.306 55.924 54.840 -0.370 0.000 0.775 334 L CB -0.787 41.031 42.059 -0.402 0.000 0.913 334 L HN 0.015 nan 8.230 nan 0.000 0.440 335 E N -0.300 119.794 120.200 -0.177 0.000 2.358 335 E HA -0.133 4.219 4.350 0.003 0.000 0.195 335 E C 1.787 178.262 176.600 -0.209 0.000 1.010 335 E CA 0.434 56.759 56.400 -0.125 0.000 0.856 335 E CB 0.184 29.842 29.700 -0.070 0.000 0.795 335 E HN 0.257 nan 8.360 nan 0.000 0.504 336 L N -0.354 120.630 121.223 -0.399 0.000 2.408 336 L HA 0.087 4.429 4.340 0.003 0.000 0.215 336 L C 0.085 176.395 176.870 -0.933 0.000 1.081 336 L CA 1.287 55.754 54.840 -0.622 0.000 0.840 336 L CB 0.197 41.820 42.059 -0.726 0.000 1.002 336 L HN 0.003 nan 8.230 nan 0.000 0.468 337 H N 0.037 118.704 119.070 -0.672 0.000 2.336 337 H HA 0.335 4.893 4.556 0.002 0.000 0.230 337 H C -2.369 172.792 175.328 -0.278 0.000 1.426 337 H CA -2.057 53.454 56.048 -0.896 0.000 1.359 337 H CB 0.065 28.628 29.762 -1.998 0.000 1.555 337 H HN 0.052 nan 8.280 nan 0.000 0.512 338 P HA 0.147 nan 4.420 nan 0.000 0.276 338 P C 0.258 177.923 177.300 0.608 0.000 1.235 338 P CA -0.302 63.059 63.100 0.435 0.000 0.772 338 P CB 1.080 32.922 31.700 0.237 0.000 0.871 339 A N 3.285 126.425 122.820 0.534 0.000 2.586 339 A HA -0.021 4.300 4.320 0.003 0.000 0.231 339 A C 0.410 177.941 177.584 -0.088 0.000 1.055 339 A CA 0.466 52.495 52.037 -0.013 0.000 0.756 339 A CB -0.354 18.459 19.000 -0.313 0.000 0.988 339 A HN 0.645 nan 8.150 nan 0.000 0.509 340 E N 0.823 120.877 120.200 -0.244 0.000 2.199 340 E HA 0.230 4.581 4.350 0.003 0.000 0.265 340 E C -0.841 175.629 176.600 -0.216 0.000 0.882 340 E CA -0.691 55.573 56.400 -0.226 0.000 0.759 340 E CB 1.030 30.546 29.700 -0.306 0.000 1.148 340 E HN 0.568 nan 8.360 nan 0.000 0.412 341 K N 4.123 124.435 120.400 -0.148 0.000 2.046 341 K HA -0.012 4.310 4.320 0.003 0.000 0.248 341 K C 0.106 176.636 176.600 -0.117 0.000 1.123 341 K CA 0.565 56.777 56.287 -0.124 0.000 1.145 341 K CB 0.120 32.571 32.500 -0.081 0.000 1.028 341 K HN 0.247 nan 8.250 nan 0.000 0.354 342 R N 1.180 121.598 120.500 -0.137 0.000 2.719 342 R HA 0.216 4.557 4.340 0.003 0.000 0.233 342 R C -0.182 176.094 176.300 -0.040 0.000 1.257 342 R CA -0.875 55.173 56.100 -0.088 0.000 1.109 342 R CB 0.876 31.119 30.300 -0.095 0.000 1.447 342 R HN 0.488 nan 8.270 nan 0.000 0.537 343 Q N 1.018 120.823 119.800 0.008 0.000 2.274 343 Q HA 0.414 4.755 4.340 0.003 0.000 0.260 343 Q C -2.450 173.605 176.000 0.092 0.000 0.974 343 Q CA -2.010 53.809 55.803 0.025 0.000 0.876 343 Q CB 1.517 30.262 28.738 0.012 0.000 1.297 343 Q HN 0.150 nan 8.270 nan 0.000 0.446 344 P HA -0.132 nan 4.420 nan 0.000 0.266 344 P C -0.466 176.904 177.300 0.118 0.000 1.180 344 P CA 0.246 63.375 63.100 0.048 0.000 0.765 344 P CB 0.167 31.842 31.700 -0.043 0.000 0.806 345 W N 0.605 121.903 121.300 -0.003 0.000 2.782 345 W HA 0.240 4.901 4.660 0.002 0.000 0.268 345 W C -0.837 175.650 176.519 -0.053 0.000 1.043 345 W CA -0.082 57.246 57.345 -0.029 0.000 1.387 345 W CB -0.711 28.730 29.460 -0.031 0.000 0.904 345 W HN 0.043 nan 8.180 nan 0.000 0.625 346 C N 3.209 122.133 119.300 -0.627 0.000 2.601 346 C HA 0.277 4.738 4.460 0.003 0.000 0.409 346 C C 1.939 176.754 174.990 -0.291 0.000 1.293 346 C CA 0.245 58.905 59.018 -0.598 0.000 2.101 346 C CB 1.297 28.566 27.740 -0.785 0.000 2.639 346 C HN 0.226 nan 8.230 nan 0.000 0.592 347 V N 1.381 121.170 119.914 -0.209 0.000 3.473 347 V HA 0.065 4.187 4.120 0.003 0.000 0.253 347 V C 1.611 177.600 176.094 -0.175 0.000 1.340 347 V CA 0.624 62.832 62.300 -0.153 0.000 1.103 347 V CB -0.635 31.140 31.823 -0.081 0.000 0.881 347 V HN 0.923 nan 8.190 nan 0.000 0.451 348 E N 0.322 120.404 120.200 -0.197 0.000 2.413 348 E HA 0.189 4.541 4.350 0.003 0.000 0.203 348 E C 2.001 178.416 176.600 -0.309 0.000 0.957 348 E CA 0.151 56.426 56.400 -0.207 0.000 0.950 348 E CB 0.121 29.736 29.700 -0.141 0.000 0.957 348 E HN 0.459 nan 8.360 nan 0.000 0.497 349 I N 2.338 122.660 120.570 -0.413 0.000 2.118 349 I HA -0.203 3.968 4.170 0.003 0.000 0.241 349 I C -0.572 175.116 176.117 -0.715 0.000 1.070 349 I CA 1.541 62.421 61.300 -0.700 0.000 1.327 349 I CB -0.801 36.745 38.000 -0.758 0.000 1.034 349 I HN 0.091 nan 8.210 nan 0.000 0.405 350 P HA -0.172 nan 4.420 nan 0.000 0.218 350 P C 1.478 178.575 177.300 -0.338 0.000 1.149 350 P CA 1.416 64.273 63.100 -0.405 0.000 0.817 350 P CB -0.127 31.405 31.700 -0.280 0.000 0.785 351 R N -0.495 119.833 120.500 -0.286 0.000 2.115 351 R HA -0.003 4.339 4.340 0.003 0.000 0.230 351 R C 2.212 178.376 176.300 -0.226 0.000 1.111 351 R CA 0.878 56.851 56.100 -0.211 0.000 0.976 351 R CB -0.707 29.496 30.300 -0.160 0.000 0.870 351 R HN 0.157 nan 8.270 nan 0.000 0.445 352 L N -0.241 120.793 121.223 -0.315 0.000 2.044 352 L HA -0.058 4.284 4.340 0.003 0.000 0.205 352 L C 2.603 179.282 176.870 -0.318 0.000 1.075 352 L CA 1.151 55.822 54.840 -0.282 0.000 0.747 352 L CB -0.499 41.378 42.059 -0.303 0.000 0.903 352 L HN 0.286 nan 8.230 nan 0.000 0.435 353 A N -0.191 122.242 122.820 -0.646 0.000 1.883 353 A HA -0.300 4.021 4.320 0.003 0.000 0.217 353 A C 2.215 179.715 177.584 -0.141 0.000 1.186 353 A CA 2.091 53.848 52.037 -0.466 0.000 0.624 353 A CB -0.627 18.013 19.000 -0.600 0.000 0.822 353 A HN 0.475 nan 8.150 nan 0.000 0.444 354 E N -0.581 119.517 120.200 -0.170 0.000 2.085 354 E HA -0.278 4.073 4.350 0.003 0.000 0.194 354 E C 2.204 178.766 176.600 -0.063 0.000 0.994 354 E CA 1.668 58.009 56.400 -0.099 0.000 0.801 354 E CB -0.118 29.515 29.700 -0.113 0.000 0.743 354 E HN 0.799 nan 8.360 nan 0.000 0.453 355 Q N -0.402 119.355 119.800 -0.072 0.000 2.137 355 Q HA -0.019 4.323 4.340 0.003 0.000 0.198 355 Q C 2.134 178.127 176.000 -0.012 0.000 0.960 355 Q CA 0.923 56.702 55.803 -0.041 0.000 0.847 355 Q CB -0.013 28.698 28.738 -0.045 0.000 0.915 355 Q HN 0.286 nan 8.270 nan 0.000 0.448 356 A N 1.127 123.953 122.820 0.011 0.000 1.865 356 A HA -0.280 4.041 4.320 0.003 0.000 0.217 356 A C 2.091 179.695 177.584 0.034 0.000 1.191 356 A CA 1.869 53.940 52.037 0.056 0.000 0.623 356 A CB -0.609 18.491 19.000 0.167 0.000 0.826 356 A HN 0.383 nan 8.150 nan 0.000 0.444 357 M N -0.415 119.209 119.600 0.040 0.000 2.082 357 M HA -0.244 4.238 4.480 0.003 0.000 0.258 357 M C 2.105 178.405 176.300 -0.001 0.000 1.071 357 M CA 2.434 57.753 55.300 0.033 0.000 1.103 357 M CB -0.953 31.674 32.600 0.045 0.000 1.307 357 M HN 0.486 nan 8.290 nan 0.000 0.409 358 Q N -0.313 119.483 119.800 -0.005 0.000 2.096 358 Q HA -0.191 4.150 4.340 0.003 0.000 0.208 358 Q C 2.088 178.067 176.000 -0.035 0.000 0.993 358 Q CA 2.751 58.545 55.803 -0.016 0.000 0.862 358 Q CB -0.626 28.102 28.738 -0.016 0.000 0.915 358 Q HN 0.733 nan 8.270 nan 0.000 0.416 359 A N -0.222 122.579 122.820 -0.031 0.000 1.909 359 A HA -0.286 4.035 4.320 0.003 0.000 0.221 359 A C 2.260 179.794 177.584 -0.084 0.000 1.223 359 A CA 2.236 54.250 52.037 -0.039 0.000 0.658 359 A CB -1.162 17.825 19.000 -0.022 0.000 0.831 359 A HN 0.288 nan 8.150 nan 0.000 0.462 360 V N 0.195 120.026 119.914 -0.139 0.000 2.427 360 V HA -0.232 3.889 4.120 0.003 0.000 0.248 360 V C 2.457 178.299 176.094 -0.420 0.000 1.051 360 V CA 1.816 63.932 62.300 -0.307 0.000 1.048 360 V CB -0.946 30.631 31.823 -0.410 0.000 0.666 360 V HN 0.777 nan 8.190 nan 0.000 0.456 361 I N 0.489 120.922 120.570 -0.228 0.000 2.756 361 I HA -0.041 4.130 4.170 0.003 0.000 0.262 361 I C 2.192 178.288 176.117 -0.035 0.000 1.225 361 I CA 1.675 62.945 61.300 -0.050 0.000 1.472 361 I CB -0.391 37.660 38.000 0.085 0.000 1.094 361 I HN 0.098 nan 8.210 nan 0.000 0.454 362 A N 1.353 124.141 122.820 -0.053 0.000 2.014 362 A HA 0.002 4.324 4.320 0.003 0.000 0.218 362 A C 2.180 179.756 177.584 -0.013 0.000 1.163 362 A CA 0.880 52.903 52.037 -0.023 0.000 0.652 362 A CB -0.357 18.631 19.000 -0.021 0.000 0.808 362 A HN 0.475 nan 8.150 nan 0.000 0.449 363 R N -0.211 120.267 120.500 -0.036 0.000 2.334 363 R HA 0.043 4.384 4.340 0.003 0.000 0.216 363 R C 1.736 178.056 176.300 0.034 0.000 0.905 363 R CA 0.665 56.762 56.100 -0.004 0.000 1.064 363 R CB -0.372 29.915 30.300 -0.023 0.000 1.046 363 R HN 0.799 nan 8.270 nan 0.000 0.508 364 R N 0.931 121.447 120.500 0.027 0.000 2.293 364 R HA -0.073 4.268 4.340 0.003 0.000 0.219 364 R C 0.509 176.879 176.300 0.117 0.000 1.091 364 R CA 1.344 57.503 56.100 0.100 0.000 1.004 364 R CB -0.149 30.248 30.300 0.163 0.000 0.865 364 R HN 0.018 nan 8.270 nan 0.000 0.469 365 D N 1.566 122.051 120.400 0.142 0.000 2.123 365 D HA 0.012 4.653 4.640 0.003 0.000 0.200 365 D C 0.532 177.110 176.300 0.464 0.000 0.976 365 D CA 1.087 55.227 54.000 0.233 0.000 0.831 365 D CB -0.070 40.827 40.800 0.162 0.000 0.974 365 D HN 0.407 nan 8.370 nan 0.000 0.469 366 A N 0.728 123.754 122.820 0.343 0.000 2.540 366 A HA -0.041 4.281 4.320 0.003 0.000 0.239 366 A C -0.034 177.805 177.584 0.425 0.000 1.061 366 A CA -0.135 52.099 52.037 0.328 0.000 0.758 366 A CB -0.202 18.916 19.000 0.197 0.000 0.991 366 A HN 0.111 nan 8.150 nan 0.000 0.502 367 F N 3.073 123.071 119.950 0.079 0.000 2.668 367 F HA 0.390 4.918 4.527 0.003 0.000 0.365 367 F C 1.046 176.774 175.800 -0.120 0.000 1.165 367 F CA 0.222 58.099 58.000 -0.204 0.000 1.344 367 F CB -0.583 38.207 39.000 -0.351 0.000 1.658 367 F HN 0.572 nan 8.300 nan 0.000 0.620 368 G N 0.894 109.639 108.800 -0.092 0.000 2.597 368 G HA2 0.275 4.237 3.960 0.003 0.000 0.317 368 G HA3 0.275 4.237 3.960 0.003 0.000 0.317 368 G C 0.486 175.341 174.900 -0.076 0.000 1.230 368 G CA -0.394 44.666 45.100 -0.067 0.000 0.996 368 G HN 0.442 nan 8.290 nan 0.000 0.490 369 E N -0.474 119.697 120.200 -0.049 0.000 2.150 369 E HA -0.017 4.334 4.350 0.003 0.000 0.193 369 E C 2.212 178.834 176.600 0.037 0.000 0.985 369 E CA 1.121 57.509 56.400 -0.019 0.000 0.814 369 E CB -0.069 29.618 29.700 -0.022 0.000 0.752 369 E HN 0.367 nan 8.360 nan 0.000 0.466 370 A N 1.338 124.186 122.820 0.047 0.000 1.873 370 A HA -0.226 4.096 4.320 0.003 0.000 0.215 370 A C 2.154 179.809 177.584 0.117 0.000 1.186 370 A CA 1.694 53.768 52.037 0.061 0.000 0.616 370 A CB -0.415 18.610 19.000 0.042 0.000 0.823 370 A HN 0.199 nan 8.150 nan 0.000 0.442 371 Q N -0.707 119.196 119.800 0.171 0.000 2.016 371 Q HA -0.081 4.260 4.340 0.003 0.000 0.200 371 Q C 2.019 178.207 176.000 0.314 0.000 0.978 371 Q CA 1.371 57.340 55.803 0.277 0.000 0.833 371 Q CB -0.578 28.408 28.738 0.414 0.000 0.895 371 Q HN 0.532 nan 8.270 nan 0.000 0.427 372 L N 0.567 122.007 121.223 0.361 0.000 2.034 372 L HA -0.296 4.045 4.340 0.003 0.000 0.217 372 L C 2.034 179.018 176.870 0.189 0.000 1.077 372 L CA 2.281 57.315 54.840 0.324 0.000 0.769 372 L CB -0.971 41.198 42.059 0.183 0.000 0.890 372 L HN 0.251 nan 8.230 nan 0.000 0.435 373 A N -1.512 121.388 122.820 0.134 0.000 1.845 373 A HA -0.323 3.998 4.320 0.003 0.000 0.215 373 A C 2.258 179.895 177.584 0.089 0.000 1.195 373 A CA 1.828 53.919 52.037 0.089 0.000 0.616 373 A CB -1.180 17.860 19.000 0.065 0.000 0.832 373 A HN 0.717 nan 8.150 nan 0.000 0.443 374 H N 0.009 119.078 119.070 -0.001 0.000 2.267 374 H HA -0.127 4.431 4.556 0.002 0.000 0.291 374 H C 1.714 176.993 175.328 -0.080 0.000 1.094 374 H CA 2.328 58.354 56.048 -0.037 0.000 1.227 374 H CB -0.198 29.545 29.762 -0.032 0.000 1.351 374 H HN 0.404 nan 8.280 nan 0.000 0.483 375 R N -0.421 119.971 120.500 -0.180 0.000 2.423 375 R HA 0.083 4.425 4.340 0.003 0.000 0.248 375 R C 1.396 177.483 176.300 -0.354 0.000 1.019 375 R CA 0.039 55.913 56.100 -0.377 0.000 1.119 375 R CB -0.051 30.040 30.300 -0.348 0.000 1.176 375 R HN 0.308 nan 8.270 nan 0.000 0.526 376 I N -0.186 120.259 120.570 -0.209 0.000 2.676 376 I HA -0.218 3.954 4.170 0.003 0.000 0.259 376 I C 1.552 177.508 176.117 -0.270 0.000 1.194 376 I CA 0.934 62.147 61.300 -0.145 0.000 1.473 376 I CB 0.076 38.068 38.000 -0.013 0.000 1.096 376 I HN 0.256 nan 8.210 nan 0.000 0.443 377 C N 0.115 119.219 119.300 -0.326 0.000 2.422 377 C HA -0.126 4.336 4.460 0.003 0.000 0.279 377 C C 2.214 176.951 174.990 -0.421 0.000 1.305 377 C CA 0.484 59.294 59.018 -0.347 0.000 1.757 377 C CB -1.382 26.175 27.740 -0.306 0.000 1.962 377 C HN 0.459 nan 8.230 nan 0.000 0.499 378 D N 0.025 120.070 120.400 -0.591 0.000 2.218 378 D HA -0.094 4.548 4.640 0.003 0.000 0.204 378 D C 1.092 176.929 176.300 -0.770 0.000 0.976 378 D CA 1.293 54.840 54.000 -0.755 0.000 0.853 378 D CB -0.204 39.978 40.800 -1.030 0.000 0.939 378 D HN 0.636 nan 8.370 nan 0.000 0.481 379 Y N -0.358 119.763 120.300 -0.298 0.000 2.584 379 Y HA 0.333 4.885 4.550 0.002 0.000 0.254 379 Y C 0.420 176.247 175.900 -0.122 0.000 1.177 379 Y CA -0.657 57.185 58.100 -0.429 0.000 1.216 379 Y CB -0.443 37.375 38.460 -1.070 0.000 1.172 379 Y HN -0.172 nan 8.280 nan 0.000 0.529 380 L N 4.400 125.553 121.223 -0.117 0.000 2.499 380 L HA 0.116 4.457 4.340 0.003 0.000 0.273 380 L C -2.004 174.776 176.870 -0.150 0.000 1.195 380 L CA -1.630 53.119 54.840 -0.151 0.000 0.882 380 L CB 0.329 42.043 42.059 -0.575 0.000 1.133 380 L HN -0.057 nan 8.230 nan 0.000 0.483 381 P HA 0.029 nan 4.420 nan 0.000 0.271 381 P C -0.437 176.727 177.300 -0.227 0.000 1.216 381 P CA -0.234 62.500 63.100 -0.610 0.000 0.771 381 P CB 0.483 31.713 31.700 -0.784 0.000 0.864 382 E N 3.219 123.239 120.200 -0.299 0.000 2.493 382 E HA -0.087 4.264 4.350 0.003 0.000 0.255 382 E C 0.245 176.811 176.600 -0.057 0.000 0.999 382 E CA 0.571 56.904 56.400 -0.113 0.000 0.934 382 E CB 0.060 29.687 29.700 -0.122 0.000 0.940 382 E HN 0.370 nan 8.360 nan 0.000 0.473 383 Q N 0.016 119.842 119.800 0.044 0.000 2.501 383 Q HA -0.166 4.176 4.340 0.003 0.000 0.275 383 Q C 0.008 175.959 176.000 -0.082 0.000 1.074 383 Q CA 1.054 56.845 55.803 -0.020 0.000 0.974 383 Q CB -1.953 26.764 28.738 -0.034 0.000 1.307 383 Q HN 0.764 nan 8.270 nan 0.000 0.513 384 G N 0.020 108.759 108.800 -0.103 0.000 3.247 384 G HA2 0.706 4.667 3.960 0.003 0.000 0.226 384 G HA3 0.706 4.667 3.960 0.003 0.000 0.226 384 G C -0.871 173.808 174.900 -0.368 0.000 1.220 384 G CA -0.098 44.930 45.100 -0.121 0.000 0.875 384 G HN 0.128 nan 8.290 nan 0.000 0.606 385 Q N -1.084 118.701 119.800 -0.026 0.000 2.379 385 Q HA 0.631 4.973 4.340 0.003 0.000 0.278 385 Q C -1.948 174.244 176.000 0.321 0.000 1.068 385 Q CA -0.955 54.888 55.803 0.067 0.000 0.816 385 Q CB 2.582 31.473 28.738 0.255 0.000 1.387 385 Q HN 0.544 nan 8.270 nan 0.000 0.413 386 L N 2.312 123.749 121.223 0.356 0.000 2.272 386 L HA 0.568 4.909 4.340 0.003 0.000 0.289 386 L C -1.751 175.335 176.870 0.360 0.000 1.032 386 L CA -0.489 54.559 54.840 0.347 0.000 0.810 386 L CB 1.032 43.257 42.059 0.277 0.000 1.205 386 L HN 0.698 nan 8.230 nan 0.000 0.422 387 F N 5.926 126.000 119.950 0.208 0.000 2.361 387 F HA 0.565 5.093 4.527 0.002 0.000 0.364 387 F C -0.588 175.279 175.800 0.113 0.000 1.117 387 F CA -0.556 57.543 58.000 0.165 0.000 1.071 387 F CB 1.187 40.262 39.000 0.126 0.000 1.188 387 F HN 0.259 nan 8.300 nan 0.000 0.464 388 V N 6.380 126.049 119.914 -0.408 0.000 2.407 388 V HA 0.520 4.641 4.120 0.003 0.000 0.278 388 V C 0.840 176.648 176.094 -0.475 0.000 1.037 388 V CA -0.445 61.672 62.300 -0.304 0.000 0.900 388 V CB 0.862 32.575 31.823 -0.182 0.000 0.983 388 V HN 0.895 nan 8.190 nan 0.000 0.459 389 G N 3.710 112.374 108.800 -0.228 0.000 2.621 389 G HA2 0.229 4.191 3.960 0.003 0.000 0.271 389 G HA3 0.229 4.191 3.960 0.003 0.000 0.271 389 G C 0.118 174.938 174.900 -0.133 0.000 1.236 389 G CA -0.561 44.444 45.100 -0.158 0.000 0.958 389 G HN 0.629 nan 8.290 nan 0.000 0.512 390 N N -0.911 117.736 118.700 -0.088 0.000 2.385 390 N HA 0.284 5.026 4.740 0.003 0.000 0.291 390 N C 1.115 176.584 175.510 -0.068 0.000 1.298 390 N CA 0.452 53.458 53.050 -0.074 0.000 0.955 390 N CB 0.515 38.967 38.487 -0.058 0.000 1.096 390 N HN 0.743 nan 8.380 nan 0.000 0.543 391 S N -1.114 114.542 115.700 -0.073 0.000 3.525 391 S HA -0.253 4.219 4.470 0.003 0.000 0.629 391 S C 1.540 176.085 174.600 -0.091 0.000 2.621 391 S CA 1.005 59.145 58.200 -0.100 0.000 3.752 391 S CB -1.325 61.809 63.200 -0.110 0.000 0.260 391 S HN 0.447 nan 8.310 nan 0.000 1.214 392 L N 0.967 122.134 121.223 -0.093 0.000 1.970 392 L HA -0.103 4.238 4.340 0.003 0.000 0.212 392 L C 2.763 179.603 176.870 -0.049 0.000 1.071 392 L CA 2.164 56.963 54.840 -0.069 0.000 0.751 392 L CB -1.015 41.008 42.059 -0.060 0.000 0.889 392 L HN 0.663 nan 8.230 nan 0.000 0.432 393 V N -0.177 119.713 119.914 -0.041 0.000 2.233 393 V HA -0.385 3.737 4.120 0.003 0.000 0.256 393 V C 2.469 178.541 176.094 -0.035 0.000 1.069 393 V CA 2.468 64.751 62.300 -0.028 0.000 1.054 393 V CB -0.345 31.462 31.823 -0.026 0.000 0.664 393 V HN 0.316 nan 8.190 nan 0.000 0.453 394 V N 0.193 120.074 119.914 -0.055 0.000 2.231 394 V HA -0.372 3.749 4.120 0.003 0.000 0.248 394 V C 2.699 178.764 176.094 -0.048 0.000 1.054 394 V CA 3.062 65.325 62.300 -0.062 0.000 1.015 394 V CB -0.693 31.080 31.823 -0.082 0.000 0.638 394 V HN 0.704 nan 8.190 nan 0.000 0.444 395 R N -0.901 119.570 120.500 -0.049 0.000 2.103 395 R HA -0.163 4.179 4.340 0.003 0.000 0.242 395 R C 2.333 178.612 176.300 -0.035 0.000 1.142 395 R CA 2.186 58.260 56.100 -0.044 0.000 0.960 395 R CB -0.434 29.838 30.300 -0.047 0.000 0.858 395 R HN 0.511 nan 8.270 nan 0.000 0.439 396 L N 0.106 121.313 121.223 -0.027 0.000 2.044 396 L HA -0.156 4.186 4.340 0.003 0.000 0.205 396 L C 2.278 179.149 176.870 0.002 0.000 1.075 396 L CA 1.221 56.054 54.840 -0.011 0.000 0.747 396 L CB -0.241 41.816 42.059 -0.004 0.000 0.903 396 L HN 0.232 nan 8.230 nan 0.000 0.435 397 I N -0.022 120.548 120.570 -0.000 0.000 2.226 397 I HA -0.350 3.822 4.170 0.003 0.000 0.245 397 I C 2.150 178.264 176.117 -0.006 0.000 1.100 397 I CA 1.792 63.094 61.300 0.004 0.000 1.374 397 I CB -0.361 37.636 38.000 -0.006 0.000 1.057 397 I HN 0.337 nan 8.210 nan 0.000 0.413 398 D N 0.871 121.258 120.400 -0.022 0.000 2.117 398 D HA -0.189 4.452 4.640 0.003 0.000 0.197 398 D C 2.151 178.431 176.300 -0.034 0.000 0.987 398 D CA 1.514 55.496 54.000 -0.031 0.000 0.829 398 D CB 0.109 40.884 40.800 -0.042 0.000 0.961 398 D HN 0.322 nan 8.370 nan 0.000 0.460 399 A N -0.211 122.590 122.820 -0.033 0.000 1.897 399 A HA 0.039 4.360 4.320 0.003 0.000 0.215 399 A C 2.208 179.786 177.584 -0.010 0.000 1.181 399 A CA 0.856 52.868 52.037 -0.040 0.000 0.620 399 A CB -0.433 18.541 19.000 -0.043 0.000 0.821 399 A HN 0.365 nan 8.150 nan 0.000 0.443 400 L N -1.468 119.765 121.223 0.017 0.000 2.513 400 L HA 0.182 4.523 4.340 0.003 0.000 0.222 400 L C 1.042 178.010 176.870 0.163 0.000 1.096 400 L CA 0.044 54.920 54.840 0.061 0.000 0.857 400 L CB 0.117 42.210 42.059 0.056 0.000 1.026 400 L HN 0.272 nan 8.230 nan 0.000 0.469 401 S N -0.324 115.425 115.700 0.082 0.000 2.664 401 S HA 0.346 4.817 4.470 0.003 0.000 0.304 401 S C -0.540 174.066 174.600 0.010 0.000 1.099 401 S CA -0.417 57.808 58.200 0.041 0.000 1.003 401 S CB 1.793 64.984 63.200 -0.015 0.000 1.092 401 S HN 0.168 nan 8.310 nan 0.000 0.525 402 Q N 3.144 122.925 119.800 -0.031 0.000 2.523 402 Q HA 0.395 4.736 4.340 0.003 0.000 0.251 402 Q C -1.362 174.599 176.000 -0.064 0.000 1.033 402 Q CA -0.359 55.425 55.803 -0.031 0.000 0.746 402 Q CB 0.510 29.236 28.738 -0.020 0.000 1.189 402 Q HN 0.629 nan 8.270 nan 0.000 0.508 403 L N 4.878 126.070 121.223 -0.053 0.000 2.380 403 L HA 0.363 4.704 4.340 0.003 0.000 0.273 403 L C -2.025 174.818 176.870 -0.045 0.000 1.138 403 L CA -1.871 52.929 54.840 -0.066 0.000 0.832 403 L CB 0.425 42.460 42.059 -0.039 0.000 1.124 403 L HN 0.435 nan 8.230 nan 0.000 0.454 404 P HA 0.117 nan 4.420 nan 0.000 0.276 404 P C -0.496 176.821 177.300 0.028 0.000 1.235 404 P CA -0.420 62.665 63.100 -0.025 0.000 0.772 404 P CB 0.820 32.489 31.700 -0.051 0.000 0.871 405 A N 3.556 126.388 122.820 0.020 0.000 2.598 405 A HA 0.336 4.658 4.320 0.003 0.000 0.239 405 A C 1.643 179.254 177.584 0.045 0.000 1.032 405 A CA 0.959 53.014 52.037 0.030 0.000 0.760 405 A CB -1.421 17.595 19.000 0.025 0.000 0.946 405 A HN 0.929 nan 8.150 nan 0.000 0.512 406 G N 0.465 109.287 108.800 0.036 0.000 2.179 406 G HA2 -0.295 3.666 3.960 0.003 0.000 0.260 406 G HA3 -0.295 3.666 3.960 0.003 0.000 0.260 406 G C 0.113 175.030 174.900 0.028 0.000 0.977 406 G CA 0.750 45.863 45.100 0.021 0.000 0.641 406 G HN 1.513 nan 8.290 nan 0.000 0.533 407 Y N 2.607 122.876 120.300 -0.051 0.000 2.365 407 Y HA 0.535 5.087 4.550 0.003 0.000 0.340 407 Y C -2.038 173.812 175.900 -0.083 0.000 1.016 407 Y CA -2.281 55.786 58.100 -0.054 0.000 1.196 407 Y CB 1.422 39.851 38.460 -0.051 0.000 1.167 407 Y HN 0.040 nan 8.280 nan 0.000 0.509 408 P HA 0.080 nan 4.420 nan 0.000 0.271 408 P C -1.242 175.897 177.300 -0.267 0.000 1.233 408 P CA 0.158 63.046 63.100 -0.353 0.000 0.764 408 P CB 0.767 32.266 31.700 -0.337 0.000 0.825 409 V N 5.529 125.239 119.914 -0.341 0.000 2.459 409 V HA 0.420 4.542 4.120 0.003 0.000 0.295 409 V C -0.343 175.464 176.094 -0.478 0.000 1.029 409 V CA -0.423 61.741 62.300 -0.228 0.000 0.874 409 V CB 0.706 32.473 31.823 -0.094 0.000 0.985 409 V HN 0.415 nan 8.190 nan 0.000 0.438 410 Y N 1.713 122.068 120.300 0.091 0.000 2.630 410 Y HA 0.847 5.398 4.550 0.002 0.000 0.337 410 Y C 0.491 176.339 175.900 -0.088 0.000 1.051 410 Y CA -0.581 57.595 58.100 0.127 0.000 1.121 410 Y CB 2.341 40.984 38.460 0.304 0.000 1.299 410 Y HN 0.770 nan 8.280 nan 0.000 0.498 411 S N -0.008 115.738 115.700 0.076 0.000 2.645 411 S HA 0.416 4.887 4.470 0.003 0.000 0.268 411 S C -2.065 172.543 174.600 0.014 0.000 1.110 411 S CA -1.157 56.875 58.200 -0.280 0.000 0.823 411 S CB 1.263 64.356 63.200 -0.178 0.000 1.091 411 S HN 0.506 nan 8.310 nan 0.000 0.466 412 N N 0.868 119.548 118.700 -0.033 0.000 2.851 412 N HA 0.447 5.189 4.740 0.003 0.000 0.248 412 N C -0.620 174.897 175.510 0.011 0.000 1.221 412 N CA -0.436 52.658 53.050 0.073 0.000 0.847 412 N CB 0.767 39.343 38.487 0.148 0.000 1.150 412 N HN 0.426 nan 8.380 nan 0.000 0.507 413 R N 0.067 120.571 120.500 0.007 0.000 2.659 413 R HA 0.316 4.657 4.340 0.003 0.000 0.418 413 R C 1.188 177.488 176.300 0.000 0.000 1.076 413 R CA -0.224 55.870 56.100 -0.010 0.000 1.093 413 R CB 0.581 30.865 30.300 -0.027 0.000 1.400 413 R HN 0.395 nan 8.270 nan 0.000 0.583 414 G N 0.303 109.109 108.800 0.010 0.000 2.518 414 G HA2 -0.050 3.911 3.960 0.003 0.000 0.213 414 G HA3 -0.050 3.911 3.960 0.003 0.000 0.213 414 G C 1.051 175.954 174.900 0.005 0.000 1.226 414 G CA 0.793 45.898 45.100 0.010 0.000 0.822 414 G HN 0.304 nan 8.290 nan 0.000 0.546 415 A N -0.945 121.876 122.820 0.002 0.000 2.197 415 A HA 0.483 4.804 4.320 0.003 0.000 0.210 415 A C 1.440 179.021 177.584 -0.005 0.000 1.180 415 A CA 1.288 53.322 52.037 -0.004 0.000 0.846 415 A CB 0.095 19.084 19.000 -0.018 0.000 0.884 415 A HN 0.903 nan 8.150 nan 0.000 0.487 416 S N -1.170 114.527 115.700 -0.005 0.000 3.672 416 S HA -0.131 4.341 4.470 0.003 0.000 0.319 416 S C 0.714 175.302 174.600 -0.020 0.000 1.151 416 S CA 0.275 58.467 58.200 -0.013 0.000 0.911 416 S CB -2.107 61.085 63.200 -0.014 0.000 0.939 416 S HN 1.548 nan 8.310 nan 0.000 0.524 417 G N 1.105 109.891 108.800 -0.024 0.000 2.299 417 G HA2 0.399 4.360 3.960 0.003 0.000 0.256 417 G HA3 0.399 4.360 3.960 0.003 0.000 0.256 417 G C 0.839 175.670 174.900 -0.115 0.000 1.259 417 G CA -0.198 44.863 45.100 -0.066 0.000 0.943 417 G HN 0.916 nan 8.290 nan 0.000 0.479 418 I N 0.265 120.740 120.570 -0.159 0.000 3.686 418 I HA 0.124 4.296 4.170 0.003 0.000 0.308 418 I C 0.720 176.577 176.117 -0.433 0.000 1.254 418 I CA -0.039 61.154 61.300 -0.178 0.000 1.175 418 I CB 0.120 38.096 38.000 -0.040 0.000 1.009 418 I HN 0.361 nan 8.210 nan 0.000 0.459 419 D N 0.890 120.901 120.400 -0.648 0.000 2.360 419 D HA 0.094 4.735 4.640 0.003 0.000 0.210 419 D C 1.422 177.318 176.300 -0.673 0.000 1.047 419 D CA 0.598 53.966 54.000 -1.053 0.000 0.854 419 D CB 0.419 40.597 40.800 -1.038 0.000 0.936 419 D HN 0.430 nan 8.370 nan 0.000 0.514 420 G N 0.324 108.688 108.800 -0.727 0.000 4.765 420 G HA2 0.222 4.183 3.960 0.003 0.000 0.276 420 G HA3 0.222 4.183 3.960 0.003 0.000 0.276 420 G C 1.037 175.652 174.900 -0.475 0.000 0.986 420 G CA -0.278 44.140 45.100 -1.136 0.000 0.755 420 G HN 0.105 nan 8.290 nan 0.000 0.391 421 L N 0.058 121.155 121.223 -0.210 0.000 1.988 421 L HA 0.023 4.365 4.340 0.003 0.000 0.207 421 L C 2.776 179.619 176.870 -0.045 0.000 1.071 421 L CA 0.949 55.810 54.840 0.036 0.000 0.744 421 L CB -0.362 41.769 42.059 0.119 0.000 0.893 421 L HN 0.164 nan 8.230 nan 0.000 0.433 422 L N -0.095 121.083 121.223 -0.075 0.000 2.043 422 L HA -0.239 4.103 4.340 0.003 0.000 0.212 422 L C 2.792 179.546 176.870 -0.193 0.000 1.075 422 L CA 2.085 56.861 54.840 -0.106 0.000 0.752 422 L CB -0.719 41.292 42.059 -0.081 0.000 0.891 422 L HN 0.461 nan 8.230 nan 0.000 0.432 423 S N -2.220 113.355 115.700 -0.208 0.000 2.414 423 S HA -0.092 4.380 4.470 0.003 0.000 0.227 423 S C 1.838 176.286 174.600 -0.252 0.000 1.022 423 S CA 1.156 59.219 58.200 -0.229 0.000 0.958 423 S CB -0.402 62.690 63.200 -0.180 0.000 0.797 423 S HN 0.352 nan 8.310 nan 0.000 0.493 424 T N 2.881 117.273 114.554 -0.271 0.000 2.770 424 T HA 0.149 4.500 4.350 0.003 0.000 0.263 424 T C 2.273 176.572 174.700 -0.668 0.000 1.039 424 T CA 1.176 63.059 62.100 -0.363 0.000 1.142 424 T CB -0.722 68.001 68.868 -0.242 0.000 0.868 424 T HN 0.552 nan 8.240 nan 0.000 0.435 425 A N 1.742 124.015 122.820 -0.912 0.000 1.940 425 A HA 0.068 4.389 4.320 0.003 0.000 0.219 425 A C 2.631 179.964 177.584 -0.419 0.000 1.176 425 A CA 1.963 53.484 52.037 -0.859 0.000 0.631 425 A CB -1.220 17.465 19.000 -0.524 0.000 0.814 425 A HN 0.512 nan 8.150 nan 0.000 0.446 426 A N -0.374 122.254 122.820 -0.321 0.000 1.849 426 A HA 0.014 4.335 4.320 0.003 0.000 0.217 426 A C 2.543 179.966 177.584 -0.268 0.000 1.202 426 A CA 2.336 54.228 52.037 -0.241 0.000 0.629 426 A CB -1.672 17.187 19.000 -0.234 0.000 0.834 426 A HN 0.911 nan 8.150 nan 0.000 0.447 427 G N -0.753 107.850 108.800 -0.328 0.000 2.469 427 G HA2 -0.190 3.771 3.960 0.003 0.000 0.219 427 G HA3 -0.190 3.771 3.960 0.003 0.000 0.219 427 G C 1.506 176.188 174.900 -0.363 0.000 1.150 427 G CA 1.479 46.358 45.100 -0.367 0.000 0.763 427 G HN 0.406 nan 8.290 nan 0.000 0.561 428 V N 0.434 120.111 119.914 -0.394 0.000 2.392 428 V HA -0.234 3.887 4.120 0.003 0.000 0.249 428 V C 2.829 178.750 176.094 -0.289 0.000 1.059 428 V CA 2.151 64.200 62.300 -0.419 0.000 1.051 428 V CB -0.377 31.173 31.823 -0.455 0.000 0.658 428 V HN 0.372 nan 8.190 nan 0.000 0.455 429 Q N 0.764 120.443 119.800 -0.202 0.000 1.965 429 Q HA -0.179 4.162 4.340 0.003 0.000 0.200 429 Q C 2.459 178.408 176.000 -0.085 0.000 0.981 429 Q CA 1.813 57.556 55.803 -0.099 0.000 0.834 429 Q CB -0.316 28.385 28.738 -0.063 0.000 0.900 429 Q HN 0.545 nan 8.270 nan 0.000 0.426 430 R N -0.042 120.397 120.500 -0.101 0.000 2.139 430 R HA -0.138 4.203 4.340 0.003 0.000 0.243 430 R C 2.295 178.572 176.300 -0.037 0.000 1.145 430 R CA 1.229 57.308 56.100 -0.036 0.000 0.976 430 R CB -0.391 29.903 30.300 -0.009 0.000 0.866 430 R HN 0.334 nan 8.270 nan 0.000 0.449 431 A N 0.675 123.390 122.820 -0.173 0.000 1.845 431 A HA -0.204 4.117 4.320 0.003 0.000 0.215 431 A C 2.223 179.786 177.584 -0.034 0.000 1.195 431 A CA 2.062 54.004 52.037 -0.158 0.000 0.616 431 A CB -0.632 18.206 19.000 -0.270 0.000 0.832 431 A HN 0.445 nan 8.150 nan 0.000 0.443 432 S N -2.155 113.503 115.700 -0.070 0.000 2.406 432 S HA 0.345 4.816 4.470 0.003 0.000 0.224 432 S C 1.581 176.183 174.600 0.003 0.000 1.030 432 S CA 1.375 59.556 58.200 -0.031 0.000 0.958 432 S CB -0.371 62.802 63.200 -0.045 0.000 0.811 432 S HN 2.071 nan 8.310 nan 0.000 0.489 433 G N 1.216 110.021 108.800 0.007 0.000 2.132 433 G HA2 -0.208 3.754 3.960 0.003 0.000 0.234 433 G HA3 -0.208 3.754 3.960 0.003 0.000 0.234 433 G C -0.143 174.774 174.900 0.027 0.000 0.989 433 G CA 0.269 45.385 45.100 0.027 0.000 0.676 433 G HN 0.648 nan 8.290 nan 0.000 0.522 434 K N 0.908 121.321 120.400 0.022 0.000 2.123 434 K HA 0.531 4.852 4.320 0.003 0.000 0.248 434 K C -2.420 174.211 176.600 0.052 0.000 0.969 434 K CA -2.129 54.172 56.287 0.023 0.000 0.882 434 K CB 1.704 34.206 32.500 0.003 0.000 1.080 434 K HN -0.022 nan 8.250 nan 0.000 0.441 435 P HA -0.047 nan 4.420 nan 0.000 0.265 435 P C -0.784 176.609 177.300 0.156 0.000 1.187 435 P CA 0.218 63.381 63.100 0.105 0.000 0.766 435 P CB 0.369 32.037 31.700 -0.054 0.000 0.820 436 T N 3.068 117.797 114.554 0.292 0.000 2.886 436 T HA 0.378 4.729 4.350 0.003 0.000 0.292 436 T C -0.559 174.417 174.700 0.459 0.000 1.012 436 T CA -0.461 61.827 62.100 0.312 0.000 0.982 436 T CB 1.142 70.132 68.868 0.204 0.000 1.018 436 T HN 0.156 nan 8.240 nan 0.000 0.451 437 L N 3.499 125.001 121.223 0.465 0.000 2.265 437 L HA 0.773 5.114 4.340 0.003 0.000 0.289 437 L C -0.334 176.744 176.870 0.345 0.000 1.033 437 L CA -0.537 54.583 54.840 0.467 0.000 0.814 437 L CB 0.173 42.537 42.059 0.508 0.000 1.203 437 L HN 0.822 nan 8.230 nan 0.000 0.423 438 A N 6.769 129.752 122.820 0.273 0.000 2.291 438 A HA 0.792 5.113 4.320 0.003 0.000 0.311 438 A C -0.765 176.927 177.584 0.179 0.000 1.224 438 A CA -0.410 51.786 52.037 0.265 0.000 0.821 438 A CB 0.277 19.410 19.000 0.222 0.000 1.172 438 A HN 0.655 nan 8.150 nan 0.000 0.494 439 I N 1.959 122.621 120.570 0.153 0.000 2.530 439 I HA 0.736 4.908 4.170 0.003 0.000 0.297 439 I C -0.455 175.687 176.117 0.041 0.000 1.011 439 I CA -0.893 60.456 61.300 0.081 0.000 1.107 439 I CB 2.173 40.221 38.000 0.080 0.000 1.285 439 I HN 0.352 nan 8.210 nan 0.000 0.436 440 V N 2.872 122.789 119.914 0.005 0.000 3.108 440 V HA 0.591 4.713 4.120 0.003 0.000 0.287 440 V C -0.057 176.011 176.094 -0.043 0.000 1.436 440 V CA -0.571 61.723 62.300 -0.009 0.000 1.001 440 V CB 2.286 34.115 31.823 0.010 0.000 1.141 440 V HN 0.897 nan 8.190 nan 0.000 0.443 441 G N 1.117 109.901 108.800 -0.027 0.000 2.522 441 G HA2 0.395 4.357 3.960 0.003 0.000 0.304 441 G HA3 0.395 4.357 3.960 0.003 0.000 0.304 441 G C 0.738 175.631 174.900 -0.012 0.000 1.210 441 G CA 0.395 45.481 45.100 -0.022 0.000 0.960 441 G HN 0.853 nan 8.290 nan 0.000 0.497 442 D N -0.286 120.134 120.400 0.034 0.000 2.092 442 D HA -0.192 4.450 4.640 0.003 0.000 0.193 442 D C 2.299 178.747 176.300 0.246 0.000 0.994 442 D CA 1.056 55.156 54.000 0.165 0.000 0.828 442 D CB -0.193 40.761 40.800 0.257 0.000 0.963 442 D HN 0.331 nan 8.370 nan 0.000 0.450 443 L N 0.765 122.092 121.223 0.174 0.000 2.141 443 L HA -0.103 4.239 4.340 0.003 0.000 0.209 443 L C 2.852 179.849 176.870 0.211 0.000 1.094 443 L CA 0.731 55.681 54.840 0.183 0.000 0.763 443 L CB -0.405 41.751 42.059 0.161 0.000 0.908 443 L HN -0.002 nan 8.230 nan 0.000 0.437 444 S N 0.305 116.096 115.700 0.152 0.000 2.356 444 S HA -0.172 4.300 4.470 0.003 0.000 0.223 444 S C 2.288 176.964 174.600 0.128 0.000 1.032 444 S CA 1.274 59.547 58.200 0.122 0.000 1.005 444 S CB -0.285 62.944 63.200 0.049 0.000 0.867 444 S HN 0.504 nan 8.310 nan 0.000 0.449 445 A N 1.372 124.254 122.820 0.103 0.000 1.908 445 A HA -0.060 4.261 4.320 0.003 0.000 0.218 445 A C 2.132 179.900 177.584 0.306 0.000 1.181 445 A CA 1.283 53.400 52.037 0.132 0.000 0.627 445 A CB -0.743 18.176 19.000 -0.135 0.000 0.818 445 A HN 0.454 nan 8.150 nan 0.000 0.445 446 L N -2.613 118.815 121.223 0.343 0.000 2.027 446 L HA -0.167 4.174 4.340 0.003 0.000 0.206 446 L C 2.543 179.525 176.870 0.187 0.000 1.074 446 L CA 1.482 56.467 54.840 0.241 0.000 0.745 446 L CB -0.684 41.468 42.059 0.155 0.000 0.898 446 L HN 0.460 nan 8.230 nan 0.000 0.433 447 Y N 0.687 121.039 120.300 0.086 0.000 2.102 447 Y HA -0.335 4.217 4.550 0.002 0.000 0.280 447 Y C 1.945 177.868 175.900 0.039 0.000 1.178 447 Y CA 2.038 60.169 58.100 0.052 0.000 1.146 447 Y CB -0.123 38.356 38.460 0.031 0.000 0.968 447 Y HN 0.197 nan 8.280 nan 0.000 0.504 448 D N -1.012 119.541 120.400 0.254 0.000 2.593 448 D HA 0.041 4.682 4.640 0.003 0.000 0.241 448 D C 1.569 177.930 176.300 0.102 0.000 1.257 448 D CA -0.036 54.042 54.000 0.131 0.000 0.828 448 D CB -0.406 40.399 40.800 0.009 0.000 1.049 448 D HN 0.254 nan 8.370 nan 0.000 0.490 449 L N 1.350 122.660 121.223 0.145 0.000 2.021 449 L HA -0.249 4.092 4.340 0.003 0.000 0.215 449 L C 1.920 178.832 176.870 0.070 0.000 1.074 449 L CA 1.979 56.904 54.840 0.142 0.000 0.760 449 L CB -0.660 41.505 42.059 0.178 0.000 0.889 449 L HN 0.225 nan 8.230 nan 0.000 0.433 450 N N 0.369 119.143 118.700 0.123 0.000 2.348 450 N HA -0.186 4.556 4.740 0.003 0.000 0.185 450 N C 1.580 177.091 175.510 0.001 0.000 1.019 450 N CA 1.483 54.624 53.050 0.152 0.000 0.880 450 N CB -0.922 37.792 38.487 0.377 0.000 0.965 450 N HN 0.413 nan 8.380 nan 0.000 0.437 451 A N 0.508 123.308 122.820 -0.033 0.000 2.225 451 A HA 0.050 4.372 4.320 0.003 0.000 0.215 451 A C 2.233 179.668 177.584 -0.249 0.000 1.164 451 A CA 0.443 52.395 52.037 -0.143 0.000 0.710 451 A CB -0.816 18.101 19.000 -0.139 0.000 0.780 451 A HN 0.354 nan 8.150 nan 0.000 0.473 452 L N -1.094 119.902 121.223 -0.378 0.000 2.083 452 L HA -0.237 4.104 4.340 0.003 0.000 0.209 452 L C 3.070 179.581 176.870 -0.598 0.000 1.083 452 L CA 0.933 55.455 54.840 -0.530 0.000 0.752 452 L CB -0.633 41.016 42.059 -0.684 0.000 0.899 452 L HN 0.458 nan 8.230 nan 0.000 0.433 453 A N 0.514 122.909 122.820 -0.708 0.000 1.896 453 A HA -0.275 4.046 4.320 0.003 0.000 0.220 453 A C 2.258 179.844 177.584 0.004 0.000 1.206 453 A CA 2.090 54.093 52.037 -0.056 0.000 0.647 453 A CB -0.974 18.286 19.000 0.434 0.000 0.828 453 A HN 0.386 nan 8.150 nan 0.000 0.455 454 L N -0.705 120.440 121.223 -0.130 0.000 2.079 454 L HA -0.168 4.173 4.340 0.003 0.000 0.210 454 L C 2.256 179.073 176.870 -0.089 0.000 1.081 454 L CA 1.020 55.762 54.840 -0.163 0.000 0.752 454 L CB -0.453 41.398 42.059 -0.347 0.000 0.896 454 L HN 0.402 nan 8.230 nan 0.000 0.433 455 L N -0.650 120.511 121.223 -0.104 0.000 2.633 455 L HA -0.140 4.202 4.340 0.003 0.000 0.235 455 L C 2.263 179.136 176.870 0.005 0.000 1.163 455 L CA 0.465 55.272 54.840 -0.056 0.000 0.859 455 L CB -0.503 41.515 42.059 -0.069 0.000 0.973 455 L HN 0.226 nan 8.230 nan 0.000 0.451 456 R N -0.082 120.441 120.500 0.039 0.000 2.235 456 R HA -0.012 4.330 4.340 0.003 0.000 0.213 456 R C 0.362 176.704 176.300 0.069 0.000 1.059 456 R CA 0.631 56.782 56.100 0.084 0.000 0.997 456 R CB 0.123 30.506 30.300 0.140 0.000 0.884 456 R HN 0.398 nan 8.270 nan 0.000 0.462 457 Q N 1.029 120.860 119.800 0.052 0.000 2.607 457 Q HA 0.235 4.576 4.340 0.003 0.000 0.247 457 Q C -1.172 174.854 176.000 0.043 0.000 1.033 457 Q CA -0.397 55.440 55.803 0.055 0.000 0.769 457 Q CB 1.752 30.531 28.738 0.068 0.000 1.169 457 Q HN 0.017 nan 8.270 nan 0.000 0.508 458 V N -1.309 118.632 119.914 0.045 0.000 2.680 458 V HA 0.460 4.581 4.120 0.003 0.000 0.309 458 V C 1.108 177.237 176.094 0.058 0.000 1.052 458 V CA -0.543 61.784 62.300 0.045 0.000 0.908 458 V CB 1.847 33.695 31.823 0.042 0.000 1.001 458 V HN 0.586 nan 8.190 nan 0.000 0.431 459 S N 2.126 117.861 115.700 0.058 0.000 2.481 459 S HA 0.504 4.976 4.470 0.003 0.000 0.231 459 S C 0.730 175.371 174.600 0.068 0.000 0.996 459 S CA 0.516 58.753 58.200 0.060 0.000 0.942 459 S CB -0.177 63.058 63.200 0.058 0.000 0.768 459 S HN 2.095 nan 8.310 nan 0.000 0.520 460 A N 1.094 123.962 122.820 0.081 0.000 2.610 460 A HA 0.719 5.041 4.320 0.003 0.000 0.291 460 A C -3.197 174.476 177.584 0.148 0.000 1.086 460 A CA -1.909 50.192 52.037 0.106 0.000 0.677 460 A CB 0.537 19.595 19.000 0.095 0.000 1.278 460 A HN 0.128 nan 8.150 nan 0.000 0.414 461 P HA 0.290 nan 4.420 nan 0.000 0.266 461 P C -0.873 176.615 177.300 0.314 0.000 1.195 461 P CA 0.394 63.661 63.100 0.277 0.000 0.768 461 P CB 0.600 32.587 31.700 0.477 0.000 0.838 462 L N 3.872 125.206 121.223 0.185 0.000 2.376 462 L HA 0.365 4.706 4.340 0.003 0.000 0.275 462 L C -0.851 176.031 176.870 0.020 0.000 0.987 462 L CA -0.876 54.062 54.840 0.164 0.000 0.828 462 L CB 1.986 44.103 42.059 0.098 0.000 1.249 462 L HN 0.014 nan 8.230 nan 0.000 0.409 463 V N 5.772 125.686 119.914 -0.000 0.000 2.364 463 V HA 0.268 4.390 4.120 0.003 0.000 0.272 463 V C -0.211 175.858 176.094 -0.042 0.000 1.036 463 V CA -0.438 61.751 62.300 -0.185 0.000 0.880 463 V CB 1.398 32.971 31.823 -0.416 0.000 0.991 463 V HN 0.527 nan 8.190 nan 0.000 0.460 464 L N 7.974 129.147 121.223 -0.084 0.000 2.272 464 L HA 0.549 4.891 4.340 0.003 0.000 0.284 464 L C -0.285 176.529 176.870 -0.094 0.000 1.045 464 L CA 0.288 55.100 54.840 -0.046 0.000 0.842 464 L CB 0.601 42.634 42.059 -0.043 0.000 1.224 464 L HN 0.512 nan 8.230 nan 0.000 0.430 465 I N 5.933 126.469 120.570 -0.056 0.000 2.301 465 I HA 0.194 4.365 4.170 0.003 0.000 0.292 465 I C -0.365 175.692 176.117 -0.101 0.000 1.046 465 I CA -0.544 60.706 61.300 -0.083 0.000 1.282 465 I CB 1.178 39.169 38.000 -0.016 0.000 1.409 465 I HN 0.276 nan 8.210 nan 0.000 0.484 466 V N 8.067 127.878 119.914 -0.173 0.000 2.304 466 V HA 0.119 4.240 4.120 0.003 0.000 0.262 466 V C 0.399 176.395 176.094 -0.164 0.000 1.061 466 V CA -0.629 61.517 62.300 -0.257 0.000 0.872 466 V CB 0.897 32.370 31.823 -0.582 0.000 1.077 466 V HN 0.378 nan 8.190 nan 0.000 0.480 467 V N 4.936 124.788 119.914 -0.103 0.000 2.425 467 V HA 0.087 4.208 4.120 0.003 0.000 0.276 467 V C 0.661 176.735 176.094 -0.034 0.000 1.017 467 V CA 0.240 62.503 62.300 -0.062 0.000 1.062 467 V CB 0.491 32.288 31.823 -0.044 0.000 0.997 467 V HN 0.849 nan 8.190 nan 0.000 0.476 468 N N 4.902 123.603 118.700 0.001 0.000 2.621 468 N HA 0.201 4.942 4.740 0.003 0.000 0.237 468 N C 0.406 175.940 175.510 0.041 0.000 0.997 468 N CA -0.494 52.586 53.050 0.051 0.000 0.918 468 N CB 1.013 39.570 38.487 0.118 0.000 1.122 468 N HN 0.737 nan 8.380 nan 0.000 0.510 469 N N 2.117 120.837 118.700 0.034 0.000 2.235 469 N HA 0.046 4.788 4.740 0.003 0.000 0.209 469 N C -0.327 175.205 175.510 0.037 0.000 1.122 469 N CA -0.369 52.699 53.050 0.030 0.000 0.845 469 N CB -0.254 38.245 38.487 0.020 0.000 1.004 469 N HN 0.382 nan 8.380 nan 0.000 0.499 470 N N 0.419 119.144 118.700 0.041 0.000 2.537 470 N HA -0.080 4.662 4.740 0.003 0.000 0.286 470 N C -0.004 175.535 175.510 0.047 0.000 1.245 470 N CA 1.394 54.463 53.050 0.031 0.000 0.704 470 N CB -1.245 37.244 38.487 0.003 0.000 0.910 470 N HN 0.923 nan 8.380 nan 0.000 0.542 471 G N -0.016 108.824 108.800 0.067 0.000 2.371 471 G HA2 0.451 4.413 3.960 0.003 0.000 0.663 471 G HA3 0.451 4.413 3.960 0.003 0.000 0.663 471 G C 0.016 174.978 174.900 0.103 0.000 1.311 471 G CA 0.025 45.181 45.100 0.094 0.000 0.985 471 G HN 1.131 nan 8.290 nan 0.000 0.566 472 G N -0.481 108.416 108.800 0.161 0.000 2.857 472 G HA2 0.477 4.439 3.960 0.003 0.000 0.326 472 G HA3 0.477 4.439 3.960 0.003 0.000 0.326 472 G C 0.677 175.580 174.900 0.006 0.000 0.950 472 G CA -0.069 45.088 45.100 0.094 0.000 1.400 472 G HN 0.481 nan 8.290 nan 0.000 0.473 473 Q N 1.714 121.494 119.800 -0.033 0.000 2.482 473 Q HA 0.004 4.345 4.340 0.003 0.000 0.209 473 Q C 2.137 178.074 176.000 -0.105 0.000 0.961 473 Q CA 0.007 55.797 55.803 -0.021 0.000 0.945 473 Q CB 0.181 28.919 28.738 -0.000 0.000 1.012 473 Q HN 0.836 nan 8.270 nan 0.000 0.515 474 I N -0.247 120.153 120.570 -0.283 0.000 2.850 474 I HA -0.217 3.955 4.170 0.003 0.000 0.266 474 I C 0.571 176.494 176.117 -0.323 0.000 1.257 474 I CA 0.760 61.852 61.300 -0.346 0.000 1.465 474 I CB 0.052 37.786 38.000 -0.443 0.000 1.091 474 I HN -0.042 nan 8.210 nan 0.000 0.467 475 F N -0.393 119.596 119.950 0.065 0.000 2.765 475 F HA 0.138 4.666 4.527 0.002 0.000 0.302 475 F C 2.326 178.138 175.800 0.020 0.000 1.111 475 F CA 0.141 58.182 58.000 0.068 0.000 1.359 475 F CB -0.629 38.468 39.000 0.161 0.000 1.097 475 F HN -0.032 nan 8.300 nan 0.000 0.577 476 S N 0.156 115.933 115.700 0.128 0.000 2.458 476 S HA -0.010 4.462 4.470 0.003 0.000 0.223 476 S C 1.923 176.545 174.600 0.038 0.000 1.019 476 S CA 0.267 58.509 58.200 0.070 0.000 0.937 476 S CB -0.146 63.085 63.200 0.052 0.000 0.788 476 S HN 0.343 nan 8.310 nan 0.000 0.511 477 L N 1.753 122.989 121.223 0.023 0.000 2.049 477 L HA 0.277 4.619 4.340 0.003 0.000 0.203 477 L C 0.427 177.308 176.870 0.019 0.000 1.074 477 L CA 1.251 56.095 54.840 0.007 0.000 0.749 477 L CB -0.511 41.537 42.059 -0.018 0.000 0.907 477 L HN 0.181 nan 8.230 nan 0.000 0.439 478 L N 2.299 123.547 121.223 0.042 0.000 2.490 478 L HA 0.136 4.478 4.340 0.003 0.000 0.274 478 L C -1.613 175.280 176.870 0.038 0.000 1.201 478 L CA -1.142 53.736 54.840 0.063 0.000 0.869 478 L CB 0.041 42.189 42.059 0.148 0.000 1.123 478 L HN 0.181 nan 8.230 nan 0.000 0.484 479 P HA 0.035 nan 4.420 nan 0.000 0.228 479 P C 0.020 177.283 177.300 -0.062 0.000 1.748 479 P CA -0.341 62.749 63.100 -0.017 0.000 0.909 479 P CB -0.618 31.077 31.700 -0.009 0.000 1.882 480 T N -0.683 113.801 114.554 -0.117 0.000 2.860 480 T HA 0.301 4.652 4.350 0.003 0.000 0.299 480 T C -2.145 172.416 174.700 -0.232 0.000 1.045 480 T CA -1.673 60.250 62.100 -0.294 0.000 1.071 480 T CB -0.170 68.337 68.868 -0.601 0.000 0.985 480 T HN 0.075 nan 8.240 nan 0.000 0.537 481 P HA 0.216 nan 4.420 nan 0.000 0.282 481 P C 0.472 177.717 177.300 -0.092 0.000 1.262 481 P CA -0.365 62.662 63.100 -0.122 0.000 0.773 481 P CB 0.914 32.565 31.700 -0.081 0.000 0.879 482 Q N 1.525 121.299 119.800 -0.044 0.000 2.096 482 Q HA -0.168 4.173 4.340 0.003 0.000 0.204 482 Q C 2.142 178.154 176.000 0.020 0.000 0.982 482 Q CA 1.822 57.617 55.803 -0.014 0.000 0.850 482 Q CB -0.583 28.154 28.738 -0.002 0.000 0.901 482 Q HN 0.527 nan 8.270 nan 0.000 0.422 483 S N 0.762 116.481 115.700 0.031 0.000 2.380 483 S HA -0.244 4.227 4.470 0.003 0.000 0.229 483 S C 1.466 176.134 174.600 0.112 0.000 1.043 483 S CA 1.917 60.153 58.200 0.060 0.000 1.038 483 S CB 0.016 63.248 63.200 0.054 0.000 0.872 483 S HN 0.378 nan 8.310 nan 0.000 0.456 484 E N -0.241 120.050 120.200 0.152 0.000 2.447 484 E HA 0.147 4.499 4.350 0.003 0.000 0.204 484 E C 2.005 178.837 176.600 0.387 0.000 0.977 484 E CA 0.174 56.772 56.400 0.330 0.000 0.950 484 E CB 0.050 29.971 29.700 0.369 0.000 0.975 484 E HN 0.706 nan 8.360 nan 0.000 0.496 485 R N 1.545 122.165 120.500 0.201 0.000 2.094 485 R HA -0.231 4.111 4.340 0.003 0.000 0.239 485 R C 2.116 178.561 176.300 0.241 0.000 1.137 485 R CA 1.964 58.188 56.100 0.208 0.000 0.943 485 R CB -0.520 29.784 30.300 0.007 0.000 0.850 485 R HN 0.192 nan 8.270 nan 0.000 0.433 486 E N 0.762 121.038 120.200 0.128 0.000 2.035 486 E HA -0.306 4.045 4.350 0.003 0.000 0.204 486 E C 2.384 178.980 176.600 -0.007 0.000 1.025 486 E CA 1.738 58.178 56.400 0.066 0.000 0.835 486 E CB -0.210 29.505 29.700 0.024 0.000 0.764 486 E HN 0.433 nan 8.360 nan 0.000 0.457 487 R N -1.087 119.342 120.500 -0.119 0.000 2.083 487 R HA -0.142 4.200 4.340 0.003 0.000 0.237 487 R C 1.918 177.935 176.300 -0.473 0.000 1.137 487 R CA 1.977 57.831 56.100 -0.411 0.000 0.951 487 R CB -0.166 29.674 30.300 -0.767 0.000 0.851 487 R HN 0.290 nan 8.270 nan 0.000 0.434 488 F N -2.473 117.484 119.950 0.012 0.000 2.717 488 F HA 0.188 4.716 4.527 0.003 0.000 0.297 488 F C 1.019 176.586 175.800 -0.388 0.000 1.113 488 F CA -0.104 57.805 58.000 -0.152 0.000 1.319 488 F CB 0.157 39.053 39.000 -0.172 0.000 1.097 488 F HN -0.039 nan 8.300 nan 0.000 0.595 489 Y N -0.449 119.848 120.300 -0.005 0.000 2.439 489 Y HA 0.167 4.719 4.550 0.002 0.000 0.281 489 Y C 2.091 177.988 175.900 -0.005 0.000 1.145 489 Y CA 0.421 58.384 58.100 -0.229 0.000 1.252 489 Y CB -0.674 37.642 38.460 -0.240 0.000 1.271 489 Y HN -0.243 nan 8.280 nan 0.000 0.516 490 L N -0.592 120.819 121.223 0.313 0.000 2.027 490 L HA -0.119 4.223 4.340 0.003 0.000 0.206 490 L C 0.695 177.672 176.870 0.179 0.000 1.074 490 L CA 0.744 55.766 54.840 0.304 0.000 0.745 490 L CB -0.666 41.521 42.059 0.212 0.000 0.898 490 L HN 0.274 nan 8.230 nan 0.000 0.433 491 M N 0.232 119.883 119.600 0.085 0.000 2.516 491 M HA -0.114 4.368 4.480 0.003 0.000 0.183 491 M C -2.158 174.161 176.300 0.032 0.000 0.928 491 M CA -0.480 54.834 55.300 0.024 0.000 0.573 491 M CB -1.709 30.902 32.600 0.017 0.000 1.126 491 M HN 0.037 nan 8.290 nan 0.000 0.859 492 P HA -0.085 nan 4.420 nan 0.000 0.265 492 P C 0.132 177.427 177.300 -0.009 0.000 1.187 492 P CA 0.556 63.664 63.100 0.014 0.000 0.766 492 P CB 0.501 32.203 31.700 0.003 0.000 0.820 493 Q N 0.842 120.634 119.800 -0.013 0.000 2.217 493 Q HA 0.073 4.415 4.340 0.003 0.000 0.217 493 Q C -0.014 175.950 176.000 -0.060 0.000 0.844 493 Q CA -0.251 55.531 55.803 -0.036 0.000 0.957 493 Q CB -0.222 28.497 28.738 -0.032 0.000 1.127 493 Q HN 0.459 nan 8.270 nan 0.000 0.503 494 N N 0.699 119.364 118.700 -0.059 0.000 2.699 494 N HA -0.172 4.570 4.740 0.003 0.000 0.256 494 N C -0.852 174.591 175.510 -0.112 0.000 0.993 494 N CA 0.469 53.474 53.050 -0.075 0.000 0.759 494 N CB -0.842 37.619 38.487 -0.043 0.000 0.906 494 N HN 0.052 nan 8.380 nan 0.000 0.541 495 V N 0.155 119.959 119.914 -0.184 0.000 3.113 495 V HA 0.536 4.658 4.120 0.003 0.000 0.316 495 V C -0.053 175.831 176.094 -0.350 0.000 1.125 495 V CA -0.665 61.499 62.300 -0.227 0.000 1.026 495 V CB 2.653 34.314 31.823 -0.270 0.000 1.080 495 V HN 0.345 nan 8.190 nan 0.000 0.444 496 H N 1.263 120.232 119.070 -0.169 0.000 2.977 496 H HA 0.445 5.002 4.556 0.003 0.000 0.350 496 H C -0.929 174.261 175.328 -0.230 0.000 1.238 496 H CA -0.338 55.688 56.048 -0.036 0.000 1.124 496 H CB 1.995 31.793 29.762 0.059 0.000 1.866 496 H HN 0.543 nan 8.280 nan 0.000 0.550 497 F N -0.318 119.738 119.950 0.175 0.000 2.706 497 F HA 0.124 4.652 4.527 0.002 0.000 0.313 497 F C 2.101 177.726 175.800 -0.291 0.000 1.096 497 F CA -0.062 57.969 58.000 0.051 0.000 1.219 497 F CB 0.502 39.598 39.000 0.160 0.000 1.051 497 F HN 0.558 nan 8.300 nan 0.000 0.568 498 E N 0.051 119.915 120.200 -0.560 0.000 2.077 498 E HA -0.213 4.138 4.350 0.003 0.000 0.193 498 E C 1.875 178.099 176.600 -0.627 0.000 0.989 498 E CA 1.488 57.097 56.400 -1.317 0.000 0.800 498 E CB -0.038 28.989 29.700 -1.120 0.000 0.746 498 E HN 0.437 nan 8.360 nan 0.000 0.452 499 H N -0.512 118.398 119.070 -0.265 0.000 2.389 499 H HA -0.019 4.539 4.556 0.002 0.000 0.299 499 H C 2.026 177.311 175.328 -0.072 0.000 1.081 499 H CA 1.224 57.184 56.048 -0.147 0.000 1.345 499 H CB -0.100 29.593 29.762 -0.115 0.000 1.393 499 H HN 0.313 nan 8.280 nan 0.000 0.520 500 A N 1.331 124.212 122.820 0.103 0.000 1.902 500 A HA -0.114 4.208 4.320 0.003 0.000 0.217 500 A C 2.710 180.452 177.584 0.263 0.000 1.181 500 A CA 1.628 53.787 52.037 0.204 0.000 0.623 500 A CB -0.772 18.374 19.000 0.243 0.000 0.818 500 A HN 0.428 nan 8.150 nan 0.000 0.443 501 A N 0.103 123.005 122.820 0.138 0.000 1.841 501 A HA 0.076 4.397 4.320 0.003 0.000 0.216 501 A C 2.583 180.230 177.584 0.104 0.000 1.199 501 A CA 2.637 54.755 52.037 0.135 0.000 0.621 501 A CB -1.380 17.656 19.000 0.059 0.000 0.835 501 A HN 1.241 nan 8.150 nan 0.000 0.445 502 A N -0.605 122.211 122.820 -0.006 0.000 1.927 502 A HA -0.295 4.027 4.320 0.003 0.000 0.220 502 A C 2.322 179.888 177.584 -0.029 0.000 1.185 502 A CA 2.478 54.501 52.037 -0.024 0.000 0.639 502 A CB -0.688 18.271 19.000 -0.068 0.000 0.820 502 A HN 0.741 nan 8.150 nan 0.000 0.451 503 M N -1.870 117.693 119.600 -0.061 0.000 2.195 503 M HA -0.148 4.333 4.480 0.003 0.000 0.260 503 M C 0.834 176.836 176.300 -0.497 0.000 1.066 503 M CA 1.869 56.997 55.300 -0.287 0.000 1.089 503 M CB -0.147 32.208 32.600 -0.408 0.000 1.377 503 M HN 0.368 nan 8.290 nan 0.000 0.411 504 F N 0.608 120.582 119.950 0.040 0.000 2.664 504 F HA 0.265 4.793 4.527 0.003 0.000 0.303 504 F C 0.121 175.944 175.800 0.038 0.000 1.092 504 F CA -0.148 57.883 58.000 0.051 0.000 1.305 504 F CB 0.016 39.061 39.000 0.075 0.000 1.054 504 F HN 0.165 nan 8.300 nan 0.000 0.565 505 E N 1.444 121.712 120.200 0.113 0.000 2.260 505 E HA -0.178 4.173 4.350 0.003 0.000 0.204 505 E C -1.002 175.652 176.600 0.090 0.000 1.319 505 E CA 0.090 56.532 56.400 0.069 0.000 0.679 505 E CB -1.430 28.300 29.700 0.050 0.000 1.158 505 E HN 0.330 nan 8.360 nan 0.000 0.376 506 L N 0.951 122.231 121.223 0.096 0.000 2.386 506 L HA 0.422 4.764 4.340 0.003 0.000 0.271 506 L C 0.490 177.391 176.870 0.052 0.000 0.993 506 L CA -1.109 53.782 54.840 0.084 0.000 0.819 506 L CB 1.688 43.815 42.059 0.114 0.000 1.294 506 L HN 0.012 nan 8.230 nan 0.000 0.414 507 K N 2.086 122.495 120.400 0.015 0.000 2.489 507 K HA 0.100 4.422 4.320 0.003 0.000 0.278 507 K C -1.104 175.467 176.600 -0.048 0.000 1.000 507 K CA 0.418 56.677 56.287 -0.048 0.000 1.012 507 K CB 0.453 32.920 32.500 -0.056 0.000 0.903 507 K HN 0.330 nan 8.250 nan 0.000 0.485 508 Y N 2.114 122.220 120.300 -0.323 0.000 2.570 508 Y HA 0.370 4.922 4.550 0.002 0.000 0.345 508 Y C -0.847 174.710 175.900 -0.571 0.000 1.014 508 Y CA -0.765 57.157 58.100 -0.297 0.000 1.063 508 Y CB 1.686 40.051 38.460 -0.159 0.000 1.272 508 Y HN 0.561 nan 8.280 nan 0.000 0.477 509 H N 3.809 122.332 119.070 -0.912 0.000 3.086 509 H HA 0.357 4.914 4.556 0.002 0.000 0.353 509 H C -1.334 173.484 175.328 -0.851 0.000 1.134 509 H CA -0.870 54.789 56.048 -0.649 0.000 1.248 509 H CB 2.106 31.633 29.762 -0.391 0.000 1.878 509 H HN 0.660 nan 8.280 nan 0.000 0.527 510 R N 3.462 123.749 120.500 -0.354 0.000 2.564 510 R HA 0.244 4.585 4.340 0.003 0.000 0.282 510 R C -2.742 173.514 176.300 -0.074 0.000 1.573 510 R CA -1.530 54.446 56.100 -0.207 0.000 1.588 510 R CB 0.652 30.932 30.300 -0.033 0.000 1.154 510 R HN 0.324 nan 8.270 nan 0.000 0.606 511 P HA 0.092 nan 4.420 nan 0.000 0.272 511 P C -0.476 176.807 177.300 -0.027 0.000 1.223 511 P CA -0.050 63.025 63.100 -0.042 0.000 0.784 511 P CB 1.078 32.777 31.700 -0.001 0.000 0.923 512 Q N 0.414 120.069 119.800 -0.242 0.000 2.140 512 Q HA 0.146 4.487 4.340 0.003 0.000 0.227 512 Q C -0.197 175.058 176.000 -1.242 0.000 0.798 512 Q CA -0.146 55.377 55.803 -0.465 0.000 0.987 512 Q CB 0.318 28.903 28.738 -0.255 0.000 1.161 512 Q HN 0.620 nan 8.270 nan 0.000 0.480 513 N N -2.842 115.083 118.700 -1.292 0.000 3.046 513 N HA 0.088 4.829 4.740 0.003 0.000 0.243 513 N C -0.735 174.505 175.510 -0.449 0.000 1.452 513 N CA -0.834 51.380 53.050 -1.392 0.000 0.882 513 N CB -0.301 37.835 38.487 -0.586 0.000 1.425 513 N HN -0.081 nan 8.380 nan 0.000 0.517 514 W N -0.299 121.067 121.300 0.111 0.000 2.355 514 W HA -0.040 4.621 4.660 0.002 0.000 0.309 514 W C 2.373 178.975 176.519 0.137 0.000 1.206 514 W CA 1.226 58.745 57.345 0.289 0.000 1.284 514 W CB -0.170 29.447 29.460 0.262 0.000 1.145 514 W HN 0.700 nan 8.180 nan 0.000 0.502 515 Q N 0.974 120.939 119.800 0.275 0.000 2.062 515 Q HA -0.312 4.030 4.340 0.003 0.000 0.209 515 Q C 1.923 177.969 176.000 0.077 0.000 0.996 515 Q CA 2.292 58.180 55.803 0.141 0.000 0.859 515 Q CB -0.363 28.418 28.738 0.072 0.000 0.920 515 Q HN 0.407 nan 8.270 nan 0.000 0.415 516 E N -0.239 119.967 120.200 0.010 0.000 2.204 516 E HA -0.175 4.177 4.350 0.003 0.000 0.194 516 E C 1.938 178.524 176.600 -0.025 0.000 0.989 516 E CA 0.714 57.089 56.400 -0.042 0.000 0.824 516 E CB 0.005 29.642 29.700 -0.105 0.000 0.756 516 E HN 0.268 nan 8.360 nan 0.000 0.477 517 L N 1.335 122.606 121.223 0.081 0.000 2.095 517 L HA -0.096 4.246 4.340 0.003 0.000 0.204 517 L C 1.779 178.718 176.870 0.114 0.000 1.080 517 L CA 1.720 56.615 54.840 0.091 0.000 0.759 517 L CB -0.145 42.033 42.059 0.197 0.000 0.914 517 L HN -0.015 nan 8.230 nan 0.000 0.439 518 E N -0.981 119.324 120.200 0.176 0.000 2.077 518 E HA -0.189 4.163 4.350 0.003 0.000 0.193 518 E C 1.876 178.552 176.600 0.126 0.000 0.989 518 E CA 1.839 58.359 56.400 0.200 0.000 0.800 518 E CB -0.200 29.633 29.700 0.222 0.000 0.746 518 E HN 0.543 nan 8.360 nan 0.000 0.452 519 T N 1.298 115.873 114.554 0.036 0.000 2.652 519 T HA -0.224 4.128 4.350 0.003 0.000 0.267 519 T C 2.052 176.665 174.700 -0.145 0.000 1.039 519 T CA 1.352 63.431 62.100 -0.034 0.000 1.153 519 T CB -0.479 68.350 68.868 -0.065 0.000 0.863 519 T HN 0.275 nan 8.240 nan 0.000 0.428 520 A N 1.438 124.073 122.820 -0.309 0.000 1.870 520 A HA -0.179 4.142 4.320 0.003 0.000 0.219 520 A C 2.013 179.359 177.584 -0.397 0.000 1.224 520 A CA 2.043 53.729 52.037 -0.585 0.000 0.650 520 A CB -1.401 17.211 19.000 -0.647 0.000 0.836 520 A HN 0.405 nan 8.150 nan 0.000 0.454 521 F N -0.104 119.647 119.950 -0.331 0.000 2.043 521 F HA -0.223 4.305 4.527 0.002 0.000 0.297 521 F C 2.860 178.467 175.800 -0.322 0.000 1.118 521 F CA 1.762 59.525 58.000 -0.395 0.000 1.202 521 F CB -0.733 38.158 39.000 -0.181 0.000 0.965 521 F HN 0.265 nan 8.300 nan 0.000 0.482 522 A N -1.269 121.658 122.820 0.178 0.000 2.125 522 A HA -0.223 4.098 4.320 0.003 0.000 0.219 522 A C 1.685 179.357 177.584 0.147 0.000 1.156 522 A CA 2.112 54.297 52.037 0.246 0.000 0.671 522 A CB -0.871 18.246 19.000 0.194 0.000 0.794 522 A HN 0.497 nan 8.150 nan 0.000 0.459 523 D N -1.167 119.241 120.400 0.014 0.000 2.269 523 D HA 0.218 4.860 4.640 0.003 0.000 0.220 523 D C 2.065 178.352 176.300 -0.022 0.000 0.962 523 D CA 0.924 54.929 54.000 0.008 0.000 0.884 523 D CB -0.152 40.632 40.800 -0.027 0.000 1.023 523 D HN 0.238 nan 8.370 nan 0.000 0.484 524 A N 0.131 122.844 122.820 -0.178 0.000 1.986 524 A HA -0.175 4.147 4.320 0.003 0.000 0.220 524 A C 1.770 179.277 177.584 -0.128 0.000 1.171 524 A CA 1.244 53.128 52.037 -0.256 0.000 0.640 524 A CB -1.360 17.311 19.000 -0.548 0.000 0.811 524 A HN 0.560 nan 8.150 nan 0.000 0.451 525 W N 0.041 121.398 121.300 0.094 0.000 2.825 525 W HA -0.010 4.652 4.660 0.002 0.000 0.243 525 W C 2.365 178.930 176.519 0.078 0.000 1.293 525 W CA 0.429 57.835 57.345 0.102 0.000 1.403 525 W CB 0.082 29.619 29.460 0.128 0.000 1.134 525 W HN 0.490 nan 8.180 nan 0.000 0.666 526 R N 0.763 121.410 120.500 0.244 0.000 2.153 526 R HA 0.008 4.350 4.340 0.003 0.000 0.218 526 R C 0.832 177.211 176.300 0.133 0.000 1.072 526 R CA 1.447 57.647 56.100 0.167 0.000 0.990 526 R CB -0.726 29.647 30.300 0.121 0.000 0.889 526 R HN -0.020 nan 8.270 nan 0.000 0.452 527 T N -1.308 113.320 114.554 0.123 0.000 2.908 527 T HA 0.425 4.776 4.350 0.003 0.000 0.290 527 T C -2.638 172.130 174.700 0.114 0.000 1.034 527 T CA -2.449 59.712 62.100 0.100 0.000 1.010 527 T CB 2.288 71.200 68.868 0.073 0.000 1.068 527 T HN -0.070 nan 8.240 nan 0.000 0.481 528 P HA 0.209 nan 4.420 nan 0.000 0.225 528 P C -0.200 177.149 177.300 0.082 0.000 1.768 528 P CA -0.090 63.070 63.100 0.099 0.000 0.943 528 P CB -1.023 30.726 31.700 0.082 0.000 1.936 529 T N -3.233 111.368 114.554 0.078 0.000 2.906 529 T HA 0.443 4.794 4.350 0.003 0.000 0.295 529 T C -0.215 174.512 174.700 0.045 0.000 1.075 529 T CA -0.641 61.493 62.100 0.058 0.000 1.005 529 T CB 1.066 69.964 68.868 0.050 0.000 1.136 529 T HN -0.161 nan 8.240 nan 0.000 0.498 530 T N 2.768 117.342 114.554 0.033 0.000 2.749 530 T HA 0.486 4.837 4.350 0.003 0.000 0.295 530 T C -0.124 174.570 174.700 -0.010 0.000 0.936 530 T CA -0.260 61.846 62.100 0.010 0.000 1.060 530 T CB 0.479 69.352 68.868 0.009 0.000 0.904 530 T HN 0.749 nan 8.240 nan 0.000 0.500 531 T N 3.534 118.051 114.554 -0.062 0.000 2.749 531 T HA 0.411 4.763 4.350 0.003 0.000 0.287 531 T C 0.206 174.841 174.700 -0.107 0.000 0.970 531 T CA -0.610 61.437 62.100 -0.089 0.000 0.980 531 T CB 0.923 69.694 68.868 -0.162 0.000 0.924 531 T HN 0.296 nan 8.240 nan 0.000 0.456 532 V N 5.178 125.067 119.914 -0.042 0.000 2.498 532 V HA 0.409 4.530 4.120 0.003 0.000 0.279 532 V C 0.091 176.091 176.094 -0.158 0.000 1.048 532 V CA -0.583 61.696 62.300 -0.036 0.000 0.967 532 V CB 0.750 32.650 31.823 0.128 0.000 0.988 532 V HN 0.787 nan 8.190 nan 0.000 0.473 533 I N 4.172 124.607 120.570 -0.224 0.000 2.420 533 I HA 0.375 4.546 4.170 0.003 0.000 0.282 533 I C 0.065 176.050 176.117 -0.219 0.000 1.019 533 I CA -0.270 60.848 61.300 -0.302 0.000 1.130 533 I CB 1.576 39.345 38.000 -0.386 0.000 1.262 533 I HN 0.632 nan 8.210 nan 0.000 0.454 534 E N 7.255 127.325 120.200 -0.216 0.000 2.130 534 E HA 0.293 4.645 4.350 0.003 0.000 0.284 534 E C -0.659 175.919 176.600 -0.036 0.000 1.018 534 E CA -0.536 55.833 56.400 -0.051 0.000 0.817 534 E CB 0.960 30.783 29.700 0.204 0.000 1.078 534 E HN 0.512 nan 8.360 nan 0.000 0.396 535 M N 5.495 125.067 119.600 -0.047 0.000 2.151 535 M HA 0.167 4.648 4.480 0.003 0.000 0.349 535 M C -1.073 175.234 176.300 0.012 0.000 1.284 535 M CA -0.619 54.653 55.300 -0.046 0.000 1.173 535 M CB 0.938 33.443 32.600 -0.158 0.000 1.469 535 M HN 0.303 nan 8.290 nan 0.000 0.439 536 V N 5.989 125.957 119.914 0.091 0.000 2.427 536 V HA 0.235 4.357 4.120 0.003 0.000 0.268 536 V C 0.138 176.284 176.094 0.086 0.000 1.046 536 V CA -0.436 61.939 62.300 0.125 0.000 0.970 536 V CB 0.547 32.494 31.823 0.207 0.000 1.001 536 V HN 0.645 nan 8.190 nan 0.000 0.476 537 V N 2.629 122.573 119.914 0.050 0.000 2.914 537 V HA 0.644 4.765 4.120 0.003 0.000 0.314 537 V C -0.019 176.101 176.094 0.042 0.000 1.084 537 V CA -1.270 61.050 62.300 0.034 0.000 0.963 537 V CB 2.144 33.958 31.823 -0.016 0.000 1.025 537 V HN 0.645 nan 8.190 nan 0.000 0.432 538 N N 3.007 121.734 118.700 0.044 0.000 2.412 538 N HA -0.029 4.712 4.740 0.003 0.000 0.254 538 N C 0.764 176.294 175.510 0.034 0.000 1.232 538 N CA 0.899 53.974 53.050 0.042 0.000 0.880 538 N CB 0.939 39.451 38.487 0.042 0.000 1.076 538 N HN 1.051 nan 8.380 nan 0.000 0.458 539 D N 1.846 122.267 120.400 0.034 0.000 2.797 539 D HA -0.302 4.340 4.640 0.003 0.000 0.222 539 D C 1.281 177.599 176.300 0.029 0.000 1.070 539 D CA 2.976 56.996 54.000 0.033 0.000 0.926 539 D CB -0.989 39.833 40.800 0.036 0.000 1.136 539 D HN 0.624 nan 8.370 nan 0.000 0.487 540 T N -4.378 110.194 114.554 0.029 0.000 3.060 540 T HA 0.090 4.442 4.350 0.003 0.000 0.249 540 T C 1.148 175.860 174.700 0.020 0.000 1.079 540 T CA 0.318 62.433 62.100 0.025 0.000 1.013 540 T CB 0.114 68.998 68.868 0.028 0.000 0.975 540 T HN -0.074 nan 8.240 nan 0.000 0.518 541 D N 2.246 122.659 120.400 0.023 0.000 2.158 541 D HA -0.048 4.594 4.640 0.003 0.000 0.197 541 D C 2.252 178.564 176.300 0.020 0.000 0.995 541 D CA 1.592 55.607 54.000 0.025 0.000 0.846 541 D CB -0.716 40.103 40.800 0.031 0.000 0.941 541 D HN 0.591 nan 8.370 nan 0.000 0.456 542 G N 0.558 109.366 108.800 0.013 0.000 2.394 542 G HA2 -0.099 3.863 3.960 0.003 0.000 0.214 542 G HA3 -0.099 3.863 3.960 0.003 0.000 0.214 542 G C 1.733 176.634 174.900 0.002 0.000 1.176 542 G CA 1.139 46.244 45.100 0.008 0.000 0.786 542 G HN 0.390 nan 8.290 nan 0.000 0.533 543 A N 0.310 123.129 122.820 -0.002 0.000 1.877 543 A HA -0.102 4.220 4.320 0.003 0.000 0.216 543 A C 2.295 179.879 177.584 0.000 0.000 1.186 543 A CA 2.069 54.103 52.037 -0.006 0.000 0.620 543 A CB -0.558 18.439 19.000 -0.005 0.000 0.822 543 A HN 0.433 nan 8.150 nan 0.000 0.443 544 Q N -1.001 118.803 119.800 0.008 0.000 2.002 544 Q HA -0.165 4.177 4.340 0.003 0.000 0.204 544 Q C 2.307 178.312 176.000 0.009 0.000 0.988 544 Q CA 2.347 58.156 55.803 0.011 0.000 0.843 544 Q CB -0.454 28.294 28.738 0.017 0.000 0.908 544 Q HN 0.691 nan 8.270 nan 0.000 0.420 545 T N 1.522 116.082 114.554 0.010 0.000 2.544 545 T HA -0.234 4.118 4.350 0.003 0.000 0.264 545 T C 1.708 176.407 174.700 -0.003 0.000 1.096 545 T CA 1.599 63.704 62.100 0.007 0.000 1.181 545 T CB -0.646 68.230 68.868 0.012 0.000 0.864 545 T HN 0.196 nan 8.240 nan 0.000 0.415 546 L N 1.325 122.544 121.223 -0.007 0.000 2.064 546 L HA -0.237 4.104 4.340 0.003 0.000 0.216 546 L C 2.459 179.320 176.870 -0.015 0.000 1.077 546 L CA 1.887 56.718 54.840 -0.016 0.000 0.766 546 L CB -0.912 41.136 42.059 -0.018 0.000 0.890 546 L HN 0.378 nan 8.230 nan 0.000 0.435 547 Q N -1.244 118.550 119.800 -0.009 0.000 2.084 547 Q HA -0.272 4.069 4.340 0.003 0.000 0.202 547 Q C 2.243 178.242 176.000 -0.003 0.000 0.978 547 Q CA 2.076 57.875 55.803 -0.006 0.000 0.844 547 Q CB -0.227 28.511 28.738 0.000 0.000 0.898 547 Q HN 0.670 nan 8.270 nan 0.000 0.426 548 Q N 0.131 119.933 119.800 0.003 0.000 2.230 548 Q HA -0.060 4.282 4.340 0.003 0.000 0.202 548 Q C 1.874 177.877 176.000 0.005 0.000 0.963 548 Q CA 0.788 56.597 55.803 0.011 0.000 0.866 548 Q CB 0.148 28.895 28.738 0.015 0.000 0.931 548 Q HN 0.321 nan 8.270 nan 0.000 0.452 549 L N -0.332 120.887 121.223 -0.008 0.000 2.341 549 L HA -0.074 4.267 4.340 0.003 0.000 0.214 549 L C 1.864 178.722 176.870 -0.020 0.000 1.115 549 L CA 0.280 55.111 54.840 -0.015 0.000 0.820 549 L CB -0.011 42.031 42.059 -0.029 0.000 0.944 549 L HN 0.230 nan 8.230 nan 0.000 0.452 550 L N -0.441 120.766 121.223 -0.026 0.000 1.970 550 L HA -0.242 4.100 4.340 0.003 0.000 0.212 550 L C 2.799 179.635 176.870 -0.057 0.000 1.071 550 L CA 1.668 56.484 54.840 -0.039 0.000 0.751 550 L CB -0.563 41.472 42.059 -0.039 0.000 0.889 550 L HN 0.252 nan 8.230 nan 0.000 0.432 551 A N -1.047 121.744 122.820 -0.047 0.000 1.933 551 A HA -0.304 4.018 4.320 0.003 0.000 0.218 551 A C 2.205 179.757 177.584 -0.054 0.000 1.175 551 A CA 1.954 53.944 52.037 -0.078 0.000 0.628 551 A CB -0.652 18.358 19.000 0.016 0.000 0.814 551 A HN 0.552 nan 8.150 nan 0.000 0.444 552 Q N -0.392 119.423 119.800 0.024 0.000 2.061 552 Q HA -0.142 4.199 4.340 0.003 0.000 0.204 552 Q C 1.814 177.832 176.000 0.029 0.000 0.984 552 Q CA 2.139 57.979 55.803 0.062 0.000 0.846 552 Q CB -0.192 28.569 28.738 0.038 0.000 0.902 552 Q HN 0.399 nan 8.270 nan 0.000 0.421 553 V N 0.776 120.686 119.914 -0.007 0.000 2.719 553 V HA -0.165 3.957 4.120 0.003 0.000 0.252 553 V C 2.322 178.404 176.094 -0.020 0.000 1.065 553 V CA 1.512 63.815 62.300 0.006 0.000 1.086 553 V CB -0.262 31.577 31.823 0.027 0.000 0.700 553 V HN 0.540 nan 8.190 nan 0.000 0.467 554 S N -0.465 115.169 115.700 -0.110 0.000 2.428 554 S HA -0.195 4.276 4.470 0.003 0.000 0.230 554 S C 1.714 176.212 174.600 -0.170 0.000 1.014 554 S CA 1.401 59.497 58.200 -0.174 0.000 0.957 554 S CB -0.520 62.508 63.200 -0.285 0.000 0.784 554 S HN 0.760 nan 8.310 nan 0.000 0.499 555 H N 1.013 120.093 119.070 0.016 0.000 2.486 555 H HA 0.335 4.893 4.556 0.003 0.000 0.287 555 H C 0.778 176.110 175.328 0.006 0.000 1.010 555 H CA 0.111 56.165 56.048 0.010 0.000 1.324 555 H CB -0.073 29.693 29.762 0.007 0.000 1.446 555 H HN 0.408 nan 8.280 nan 0.000 0.537 556 L N 0.000 121.286 121.223 0.105 0.000 2.949 556 L HA 0.000 4.342 4.340 0.003 0.000 0.249 556 L CA 0.000 54.875 54.840 0.058 0.000 0.813 556 L CB 0.000 42.079 42.059 0.033 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502