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_A 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 AEPLYGXMDD 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 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 S N 2.201 117.904 115.700 0.005 0.000 2.811 2 S HA 0.065 4.632 4.470 0.161 0.000 0.325 2 S C 1.017 175.633 174.600 0.028 0.000 1.224 2 S CA -0.120 58.091 58.200 0.019 0.000 1.125 2 S CB 0.453 63.676 63.200 0.038 0.000 0.867 2 S HN 0.221 nan 8.310 nan 0.000 0.512 3 V N 5.543 125.460 119.914 0.006 0.000 2.548 3 V HA -0.093 4.124 4.120 0.161 0.000 0.249 3 V C 2.433 178.561 176.094 0.056 0.000 1.055 3 V CA 1.928 64.232 62.300 0.007 0.000 1.065 3 V CB -0.808 30.994 31.823 -0.034 0.000 0.681 3 V HN 0.888 nan 8.190 nan 0.000 0.462 4 S N 0.527 116.250 115.700 0.038 0.000 2.377 4 S HA -0.314 4.252 4.470 0.161 0.000 0.224 4 S C 2.287 176.923 174.600 0.060 0.000 1.042 4 S CA 1.896 60.115 58.200 0.031 0.000 1.086 4 S CB -0.681 62.539 63.200 0.033 0.000 0.995 4 S HN 0.682 nan 8.310 nan 0.000 0.428 5 A N 0.710 123.576 122.820 0.077 0.000 1.903 5 A HA -0.203 4.214 4.320 0.161 0.000 0.219 5 A C 1.982 179.639 177.584 0.121 0.000 1.191 5 A CA 2.139 54.230 52.037 0.090 0.000 0.638 5 A CB -1.026 18.028 19.000 0.091 0.000 0.823 5 A HN 0.526 nan 8.150 nan 0.000 0.451 6 F N 1.001 120.948 119.950 -0.004 0.000 2.146 6 F HA -0.144 4.479 4.527 0.160 0.000 0.298 6 F C 2.133 177.963 175.800 0.049 0.000 1.096 6 F CA 1.796 59.779 58.000 -0.028 0.000 1.275 6 F CB -0.282 38.633 39.000 -0.140 0.000 1.008 6 F HN 0.198 nan 8.300 nan 0.000 0.480 7 N N 0.822 119.641 118.700 0.198 0.000 2.036 7 N HA -0.219 4.618 4.740 0.161 0.000 0.195 7 N C 1.992 177.607 175.510 0.176 0.000 1.037 7 N CA 1.676 54.853 53.050 0.213 0.000 0.855 7 N CB -0.580 38.007 38.487 0.168 0.000 1.033 7 N HN 0.294 nan 8.380 nan 0.000 0.423 8 R N 0.483 121.027 120.500 0.073 0.000 2.200 8 R HA 0.005 4.442 4.340 0.161 0.000 0.234 8 R C 1.999 178.364 176.300 0.109 0.000 1.127 8 R CA 0.865 57.006 56.100 0.068 0.000 0.989 8 R CB 0.093 30.417 30.300 0.040 0.000 0.869 8 R HN 0.240 nan 8.270 nan 0.000 0.459 9 R N -0.568 119.967 120.500 0.058 0.000 2.100 9 R HA -0.115 4.321 4.340 0.161 0.000 0.220 9 R C 1.927 178.356 176.300 0.215 0.000 1.091 9 R CA 0.773 56.931 56.100 0.096 0.000 0.986 9 R CB -0.472 29.823 30.300 -0.008 0.000 0.888 9 R HN 0.440 nan 8.270 nan 0.000 0.444 10 W N 1.942 123.132 121.300 -0.184 0.000 2.378 10 W HA -0.120 4.635 4.660 0.158 0.000 0.313 10 W C 1.845 178.480 176.519 0.193 0.000 1.197 10 W CA 1.743 59.070 57.345 -0.030 0.000 1.304 10 W CB -0.265 29.062 29.460 -0.221 0.000 1.148 10 W HN 0.063 nan 8.180 nan 0.000 0.494 11 A N 1.250 124.368 122.820 0.497 0.000 1.908 11 A HA -0.142 4.274 4.320 0.161 0.000 0.218 11 A C 2.210 179.946 177.584 0.254 0.000 1.181 11 A CA 2.975 55.238 52.037 0.377 0.000 0.627 11 A CB -1.352 17.830 19.000 0.304 0.000 0.818 11 A HN 0.359 nan 8.150 nan 0.000 0.445 12 A N -0.664 122.314 122.820 0.263 0.000 1.883 12 A HA -0.061 4.356 4.320 0.161 0.000 0.217 12 A C 2.263 180.067 177.584 0.366 0.000 1.186 12 A CA 1.881 54.106 52.037 0.313 0.000 0.624 12 A CB -1.105 18.088 19.000 0.322 0.000 0.822 12 A HN 0.426 nan 8.150 nan 0.000 0.444 13 V N 0.154 120.262 119.914 0.324 0.000 2.252 13 V HA -0.321 3.896 4.120 0.161 0.000 0.249 13 V C 2.459 178.585 176.094 0.052 0.000 1.056 13 V CA 2.346 64.724 62.300 0.131 0.000 1.022 13 V CB -0.647 31.142 31.823 -0.057 0.000 0.641 13 V HN 0.604 nan 8.190 nan 0.000 0.445 14 I N -0.789 119.793 120.570 0.020 0.000 2.163 14 I HA -0.289 3.977 4.170 0.161 0.000 0.243 14 I C 2.145 178.339 176.117 0.129 0.000 1.085 14 I CA 1.718 63.030 61.300 0.020 0.000 1.347 14 I CB -0.305 37.714 38.000 0.031 0.000 1.044 14 I HN 0.246 nan 8.210 nan 0.000 0.408 15 L N -0.115 121.232 121.223 0.207 0.000 2.418 15 L HA -0.092 4.345 4.340 0.161 0.000 0.218 15 L C 2.340 179.403 176.870 0.321 0.000 1.125 15 L CA 0.741 55.762 54.840 0.302 0.000 0.835 15 L CB -0.261 42.009 42.059 0.351 0.000 0.953 15 L HN 0.161 nan 8.230 nan 0.000 0.454 16 E N 0.301 120.641 120.200 0.234 0.000 2.122 16 E HA -0.085 4.361 4.350 0.161 0.000 0.190 16 E C 2.233 178.914 176.600 0.135 0.000 0.977 16 E CA 1.110 57.584 56.400 0.125 0.000 0.820 16 E CB -0.052 29.705 29.700 0.094 0.000 0.770 16 E HN 0.281 nan 8.360 nan 0.000 0.462 17 A N 1.266 124.238 122.820 0.254 0.000 1.903 17 A HA -0.224 4.193 4.320 0.161 0.000 0.219 17 A C 2.233 180.000 177.584 0.306 0.000 1.191 17 A CA 2.012 54.237 52.037 0.314 0.000 0.638 17 A CB -1.093 17.988 19.000 0.134 0.000 0.823 17 A HN 0.382 nan 8.150 nan 0.000 0.451 18 L N -0.796 120.577 121.223 0.251 0.000 2.275 18 L HA -0.114 4.322 4.340 0.161 0.000 0.215 18 L C 2.372 179.389 176.870 0.245 0.000 1.119 18 L CA 1.376 56.381 54.840 0.274 0.000 0.790 18 L CB -1.358 40.860 42.059 0.265 0.000 0.919 18 L HN 0.296 nan 8.230 nan 0.000 0.443 19 T N -0.228 114.399 114.554 0.121 0.000 2.869 19 T HA -0.128 4.318 4.350 0.161 0.000 0.270 19 T C 1.781 176.446 174.700 -0.057 0.000 1.082 19 T CA 1.095 63.148 62.100 -0.079 0.000 1.123 19 T CB -0.197 68.548 68.868 -0.205 0.000 0.856 19 T HN 0.299 nan 8.240 nan 0.000 0.499 20 R N 0.223 120.733 120.500 0.016 0.000 2.362 20 R HA 0.162 4.598 4.340 0.161 0.000 0.227 20 R C 0.659 176.778 176.300 -0.301 0.000 0.905 20 R CA 0.310 56.325 56.100 -0.142 0.000 1.067 20 R CB 0.055 30.277 30.300 -0.129 0.000 1.078 20 R HN 0.544 nan 8.270 nan 0.000 0.516 21 H N -0.566 118.521 119.070 0.028 0.000 2.567 21 H HA 0.221 4.874 4.556 0.162 0.000 0.267 21 H C 0.564 175.909 175.328 0.029 0.000 1.148 21 H CA 0.387 56.453 56.048 0.031 0.000 1.031 21 H CB 1.030 30.818 29.762 0.043 0.000 1.691 21 H HN 0.334 nan 8.280 nan 0.000 0.588 22 G N 1.352 110.199 108.800 0.078 0.000 2.143 22 G HA2 -0.292 3.764 3.960 0.161 0.000 0.248 22 G HA3 -0.292 3.764 3.960 0.161 0.000 0.248 22 G C 0.293 175.250 174.900 0.095 0.000 0.991 22 G CA 0.291 45.426 45.100 0.059 0.000 0.689 22 G HN 0.215 nan 8.290 nan 0.000 0.522 23 V N 0.371 120.376 119.914 0.151 0.000 2.415 23 V HA 0.360 4.576 4.120 0.161 0.000 0.267 23 V C 1.519 177.769 176.094 0.261 0.000 1.042 23 V CA 0.877 63.311 62.300 0.223 0.000 1.000 23 V CB 1.010 33.025 31.823 0.320 0.000 1.015 23 V HN 0.455 nan 8.190 nan 0.000 0.478 24 R N 1.753 122.346 120.500 0.155 0.000 2.140 24 R HA 0.200 4.637 4.340 0.161 0.000 0.200 24 R C 0.440 176.723 176.300 -0.028 0.000 1.069 24 R CA -0.020 56.094 56.100 0.023 0.000 1.088 24 R CB 0.353 30.553 30.300 -0.166 0.000 1.012 24 R HN 0.713 nan 8.270 nan 0.000 0.500 25 H N 0.300 119.455 119.070 0.142 0.000 2.580 25 H HA 0.240 4.893 4.556 0.162 0.000 0.322 25 H C -0.719 174.608 175.328 -0.001 0.000 1.082 25 H CA 0.045 56.163 56.048 0.116 0.000 1.383 25 H CB 1.498 31.338 29.762 0.131 0.000 1.450 25 H HN 0.128 nan 8.280 nan 0.000 0.505 26 I N 3.094 123.690 120.570 0.042 0.000 2.498 26 I HA 0.205 4.471 4.170 0.161 0.000 0.290 26 I C -0.740 175.430 176.117 0.088 0.000 1.032 26 I CA -0.428 60.817 61.300 -0.092 0.000 1.073 26 I CB 0.890 38.602 38.000 -0.479 0.000 1.251 26 I HN 0.527 nan 8.210 nan 0.000 0.426 27 C N 7.410 126.752 119.300 0.069 0.000 2.382 27 C HA 0.682 5.238 4.460 0.161 0.000 0.327 27 C C -0.180 174.853 174.990 0.072 0.000 1.250 27 C CA -0.662 58.418 59.018 0.104 0.000 1.707 27 C CB 0.518 28.286 27.740 0.046 0.000 2.272 27 C HN 0.506 nan 8.230 nan 0.000 0.506 28 I N 2.330 122.957 120.570 0.096 0.000 2.569 28 I HA 0.607 4.873 4.170 0.161 0.000 0.290 28 I C 0.104 176.274 176.117 0.088 0.000 1.088 28 I CA -0.171 61.176 61.300 0.080 0.000 1.047 28 I CB 1.584 39.626 38.000 0.071 0.000 1.237 28 I HN 0.746 nan 8.210 nan 0.000 0.421 29 A N 7.189 130.056 122.820 0.077 0.000 2.311 29 A HA 0.938 5.355 4.320 0.161 0.000 0.334 29 A C -2.611 175.019 177.584 0.077 0.000 1.139 29 A CA -1.555 50.530 52.037 0.080 0.000 0.830 29 A CB 0.679 19.721 19.000 0.070 0.000 1.234 29 A HN 0.444 nan 8.150 nan 0.000 0.483 30 P HA 0.544 nan 4.420 nan 0.000 0.278 30 P C -0.018 177.324 177.300 0.069 0.000 1.238 30 P CA 0.135 63.279 63.100 0.073 0.000 0.794 30 P CB 1.522 33.267 31.700 0.076 0.000 0.955 31 G N -0.736 108.104 108.800 0.066 0.000 2.559 31 G HA2 0.336 4.393 3.960 0.161 0.000 0.291 31 G HA3 0.336 4.393 3.960 0.161 0.000 0.291 31 G C 0.111 175.055 174.900 0.074 0.000 1.424 31 G CA 0.060 45.200 45.100 0.066 0.000 0.786 31 G HN 0.418 nan 8.290 nan 0.000 0.485 32 S N -0.958 114.790 115.700 0.079 0.000 2.370 32 S HA -0.006 4.561 4.470 0.161 0.000 0.214 32 S C 2.287 176.901 174.600 0.023 0.000 1.033 32 S CA 1.213 59.476 58.200 0.106 0.000 0.941 32 S CB -0.244 63.039 63.200 0.139 0.000 0.886 32 S HN 0.493 nan 8.310 nan 0.000 0.521 33 R N 1.897 122.410 120.500 0.023 0.000 2.226 33 R HA -0.053 4.383 4.340 0.161 0.000 0.246 33 R C 2.179 178.454 176.300 -0.042 0.000 1.161 33 R CA 2.018 58.121 56.100 0.005 0.000 0.997 33 R CB -0.934 29.409 30.300 0.072 0.000 0.870 33 R HN 0.604 nan 8.270 nan 0.000 0.465 34 S N -2.531 113.156 115.700 -0.022 0.000 2.489 34 S HA -0.056 4.511 4.470 0.161 0.000 0.228 34 S C 1.867 176.385 174.600 -0.138 0.000 0.995 34 S CA 1.036 59.211 58.200 -0.042 0.000 0.934 34 S CB -0.299 62.916 63.200 0.026 0.000 0.771 34 S HN 0.256 nan 8.310 nan 0.000 0.522 35 T N 3.353 117.810 114.554 -0.161 0.000 2.685 35 T HA -0.095 4.351 4.350 0.161 0.000 0.268 35 T C 1.556 176.124 174.700 -0.220 0.000 1.034 35 T CA 1.875 63.884 62.100 -0.151 0.000 1.149 35 T CB -0.717 68.031 68.868 -0.200 0.000 0.860 35 T HN 0.440 nan 8.240 nan 0.000 0.449 36 L N 0.060 121.026 121.223 -0.430 0.000 2.042 36 L HA -0.123 4.313 4.340 0.161 0.000 0.210 36 L C 2.509 179.261 176.870 -0.196 0.000 1.076 36 L CA 1.391 55.984 54.840 -0.412 0.000 0.749 36 L CB -0.669 40.850 42.059 -0.899 0.000 0.893 36 L HN 0.284 nan 8.230 nan 0.000 0.432 37 L N -1.116 119.995 121.223 -0.187 0.000 2.044 37 L HA -0.126 4.311 4.340 0.161 0.000 0.205 37 L C 2.657 179.542 176.870 0.026 0.000 1.075 37 L CA 1.298 56.141 54.840 0.004 0.000 0.747 37 L CB -0.747 41.354 42.059 0.070 0.000 0.903 37 L HN 0.193 nan 8.230 nan 0.000 0.435 38 T N 0.212 114.764 114.554 -0.004 0.000 2.737 38 T HA -0.117 4.329 4.350 0.161 0.000 0.265 38 T C 2.005 176.713 174.700 0.015 0.000 1.038 38 T CA 0.953 63.061 62.100 0.012 0.000 1.144 38 T CB -0.192 68.682 68.868 0.010 0.000 0.866 38 T HN 0.110 nan 8.240 nan 0.000 0.434 39 L N 0.898 122.126 121.223 0.008 0.000 1.991 39 L HA -0.271 4.165 4.340 0.161 0.000 0.221 39 L C 3.078 179.983 176.870 0.058 0.000 1.079 39 L CA 2.113 56.966 54.840 0.022 0.000 0.778 39 L CB -1.135 40.934 42.059 0.017 0.000 0.893 39 L HN 0.298 nan 8.230 nan 0.000 0.437 40 A N -0.332 122.537 122.820 0.081 0.000 1.892 40 A HA -0.235 4.181 4.320 0.161 0.000 0.218 40 A C 2.486 180.195 177.584 0.209 0.000 1.188 40 A CA 2.204 54.327 52.037 0.143 0.000 0.631 40 A CB -0.745 18.354 19.000 0.166 0.000 0.822 40 A HN 0.513 nan 8.150 nan 0.000 0.447 41 A N -0.369 122.571 122.820 0.199 0.000 1.902 41 A HA 0.172 4.588 4.320 0.161 0.000 0.217 41 A C 2.510 180.302 177.584 0.346 0.000 1.181 41 A CA 2.126 54.337 52.037 0.289 0.000 0.623 41 A CB -1.014 18.058 19.000 0.119 0.000 0.818 41 A HN 1.127 nan 8.150 nan 0.000 0.443 42 A N -0.485 122.383 122.820 0.080 0.000 1.930 42 A HA -0.131 4.285 4.320 0.161 0.000 0.217 42 A C 1.848 179.445 177.584 0.021 0.000 1.175 42 A CA 1.610 53.556 52.037 -0.152 0.000 0.627 42 A CB -0.392 18.521 19.000 -0.145 0.000 0.815 42 A HN 0.617 nan 8.150 nan 0.000 0.443 43 E N -0.405 119.859 120.200 0.107 0.000 2.478 43 E HA 0.003 4.449 4.350 0.161 0.000 0.194 43 E C 0.107 176.788 176.600 0.134 0.000 1.045 43 E CA -0.313 56.148 56.400 0.101 0.000 0.868 43 E CB 0.115 29.862 29.700 0.078 0.000 0.885 43 E HN 0.455 nan 8.360 nan 0.000 0.505 44 N N 0.543 119.373 118.700 0.216 0.000 2.437 44 N HA 0.015 4.851 4.740 0.161 0.000 0.259 44 N C 0.366 175.946 175.510 0.116 0.000 0.983 44 N CA 0.001 53.139 53.050 0.147 0.000 0.937 44 N CB 1.411 40.000 38.487 0.171 0.000 1.122 44 N HN -0.067 nan 8.380 nan 0.000 0.499 45 S N 2.098 117.806 115.700 0.015 0.000 2.562 45 S HA 0.027 4.594 4.470 0.161 0.000 0.221 45 S C 1.674 176.205 174.600 -0.115 0.000 0.975 45 S CA 0.204 58.406 58.200 0.004 0.000 0.918 45 S CB 0.097 63.298 63.200 0.001 0.000 0.772 45 S HN 0.549 nan 8.310 nan 0.000 0.531 46 A N 0.572 123.232 122.820 -0.267 0.000 2.178 46 A HA 0.271 4.687 4.320 0.161 0.000 0.218 46 A C 0.274 177.599 177.584 -0.433 0.000 1.157 46 A CA 0.550 52.344 52.037 -0.405 0.000 0.689 46 A CB -0.554 18.111 19.000 -0.558 0.000 0.787 46 A HN 0.487 nan 8.150 nan 0.000 0.465 47 F N -1.101 118.736 119.950 -0.188 0.000 2.470 47 F HA 0.596 5.223 4.527 0.166 0.000 0.329 47 F C 0.128 175.635 175.800 -0.487 0.000 1.072 47 F CA -1.701 56.093 58.000 -0.344 0.000 0.989 47 F CB 1.193 39.932 39.000 -0.436 0.000 1.193 47 F HN -0.140 nan 8.300 nan 0.000 0.481 48 I N 2.310 122.752 120.570 -0.212 0.000 2.312 48 I HA 0.250 4.516 4.170 0.161 0.000 0.290 48 I C -0.770 175.142 176.117 -0.342 0.000 1.008 48 I CA -0.525 60.603 61.300 -0.286 0.000 1.226 48 I CB 0.699 38.561 38.000 -0.229 0.000 1.371 48 I HN 0.498 nan 8.210 nan 0.000 0.468 49 H N 5.149 124.138 119.070 -0.135 0.000 2.562 49 H HA 0.433 5.085 4.556 0.159 0.000 0.314 49 H C -0.572 174.580 175.328 -0.294 0.000 1.079 49 H CA -0.380 55.591 56.048 -0.129 0.000 1.349 49 H CB 0.590 30.330 29.762 -0.038 0.000 1.432 49 H HN 0.472 nan 8.280 nan 0.000 0.479 50 H N 1.384 120.543 119.070 0.149 0.000 2.679 50 H HA 0.431 5.084 4.556 0.162 0.000 0.367 50 H C -0.099 175.279 175.328 0.084 0.000 1.162 50 H CA -0.809 55.295 56.048 0.093 0.000 1.181 50 H CB 2.213 32.000 29.762 0.042 0.000 1.693 50 H HN 0.728 nan 8.280 nan 0.000 0.538 51 T N -0.915 113.758 114.554 0.198 0.000 2.896 51 T HA 0.494 4.940 4.350 0.161 0.000 0.297 51 T C -0.944 173.871 174.700 0.190 0.000 1.108 51 T CA -0.767 61.431 62.100 0.164 0.000 1.004 51 T CB 2.972 71.924 68.868 0.140 0.000 1.159 51 T HN 0.733 nan 8.240 nan 0.000 0.499 52 H N 0.156 119.233 119.070 0.011 0.000 2.967 52 H HA 0.498 5.147 4.556 0.155 0.000 0.318 52 H C -0.589 174.702 175.328 -0.062 0.000 1.375 52 H CA -1.571 54.409 56.048 -0.113 0.000 1.132 52 H CB 1.077 30.699 29.762 -0.233 0.000 1.848 52 H HN 0.637 nan 8.280 nan 0.000 0.524 53 F N -1.009 118.657 119.950 -0.473 0.000 2.731 53 F HA 0.330 4.951 4.527 0.157 0.000 0.298 53 F C 0.142 175.786 175.800 -0.261 0.000 1.106 53 F CA -0.443 57.395 58.000 -0.270 0.000 1.329 53 F CB 0.476 39.363 39.000 -0.189 0.000 1.100 53 F HN 0.270 nan 8.300 nan 0.000 0.592 54 D N 1.416 121.417 120.400 -0.665 0.000 2.472 54 D HA 0.143 4.879 4.640 0.161 0.000 0.234 54 D C 0.760 177.022 176.300 -0.063 0.000 1.088 54 D CA -0.126 53.742 54.000 -0.219 0.000 0.882 54 D CB 1.088 41.747 40.800 -0.235 0.000 1.037 54 D HN 0.158 nan 8.370 nan 0.000 0.520 55 E N 1.861 122.075 120.200 0.022 0.000 2.171 55 E HA -0.218 4.228 4.350 0.161 0.000 0.197 55 E C 1.765 178.410 176.600 0.075 0.000 0.997 55 E CA 1.082 57.516 56.400 0.056 0.000 0.810 55 E CB 0.148 29.893 29.700 0.075 0.000 0.738 55 E HN 0.443 nan 8.360 nan 0.000 0.467 56 R N -0.351 120.211 120.500 0.103 0.000 2.073 56 R HA -0.068 4.368 4.340 0.161 0.000 0.229 56 R C 2.270 178.706 176.300 0.227 0.000 1.120 56 R CA 1.457 57.649 56.100 0.153 0.000 0.967 56 R CB -0.356 30.049 30.300 0.174 0.000 0.862 56 R HN 0.263 nan 8.270 nan 0.000 0.436 57 G N 1.226 110.128 108.800 0.169 0.000 2.394 57 G HA2 -0.236 3.821 3.960 0.161 0.000 0.215 57 G HA3 -0.236 3.821 3.960 0.161 0.000 0.215 57 G C 1.298 176.278 174.900 0.132 0.000 1.165 57 G CA 0.454 45.657 45.100 0.172 0.000 0.784 57 G HN 0.265 nan 8.290 nan 0.000 0.535 58 L N 1.656 122.960 121.223 0.136 0.000 1.997 58 L HA -0.023 4.413 4.340 0.161 0.000 0.216 58 L C 2.896 179.757 176.870 -0.015 0.000 1.074 58 L CA 2.520 57.394 54.840 0.057 0.000 0.763 58 L CB -0.994 41.100 42.059 0.058 0.000 0.890 58 L HN 0.203 nan 8.230 nan 0.000 0.434 59 G N -2.115 106.665 108.800 -0.033 0.000 2.476 59 G HA2 -0.348 3.709 3.960 0.161 0.000 0.218 59 G HA3 -0.348 3.709 3.960 0.161 0.000 0.218 59 G C 1.317 176.072 174.900 -0.242 0.000 1.164 59 G CA 1.277 46.284 45.100 -0.155 0.000 0.768 59 G HN 0.625 nan 8.290 nan 0.000 0.560 60 H N -0.686 118.335 119.070 -0.082 0.000 2.491 60 H HA 0.094 4.721 4.556 0.119 0.000 0.290 60 H C 2.209 177.438 175.328 -0.165 0.000 1.050 60 H CA 0.815 56.795 56.048 -0.113 0.000 1.309 60 H CB -0.023 29.670 29.762 -0.115 0.000 1.392 60 H HN 0.314 nan 8.280 nan 0.000 0.554 61 L N 0.502 121.673 121.223 -0.087 0.000 2.056 61 L HA -0.072 4.365 4.340 0.161 0.000 0.207 61 L C 2.332 179.072 176.870 -0.217 0.000 1.078 61 L CA 1.640 56.365 54.840 -0.192 0.000 0.749 61 L CB -0.785 41.147 42.059 -0.213 0.000 0.901 61 L HN 0.245 nan 8.230 nan 0.000 0.433 62 A N -0.562 122.158 122.820 -0.166 0.000 1.858 62 A HA -0.204 4.212 4.320 0.161 0.000 0.216 62 A C 2.220 179.716 177.584 -0.147 0.000 1.190 62 A CA 1.823 53.767 52.037 -0.154 0.000 0.617 62 A CB -1.154 17.783 19.000 -0.104 0.000 0.827 62 A HN 0.441 nan 8.150 nan 0.000 0.443 63 L N 0.103 121.244 121.223 -0.135 0.000 1.997 63 L HA -0.244 4.192 4.340 0.161 0.000 0.227 63 L C 2.521 179.336 176.870 -0.092 0.000 1.087 63 L CA 2.742 57.521 54.840 -0.102 0.000 0.797 63 L CB -1.218 40.784 42.059 -0.095 0.000 0.902 63 L HN 0.391 nan 8.230 nan 0.000 0.441 64 G N -0.987 107.736 108.800 -0.127 0.000 2.491 64 G HA2 -0.304 3.752 3.960 0.161 0.000 0.218 64 G HA3 -0.304 3.752 3.960 0.161 0.000 0.218 64 G C 1.618 176.381 174.900 -0.227 0.000 1.180 64 G CA 1.268 46.260 45.100 -0.181 0.000 0.774 64 G HN 0.466 nan 8.290 nan 0.000 0.562 65 L N 0.742 121.797 121.223 -0.281 0.000 1.997 65 L HA -0.200 4.236 4.340 0.161 0.000 0.216 65 L C 3.443 180.189 176.870 -0.207 0.000 1.074 65 L CA 1.520 56.155 54.840 -0.341 0.000 0.763 65 L CB -0.513 41.265 42.059 -0.469 0.000 0.890 65 L HN 0.331 nan 8.230 nan 0.000 0.434 66 A N -0.481 122.259 122.820 -0.132 0.000 1.930 66 A HA -0.229 4.188 4.320 0.161 0.000 0.217 66 A C 2.394 179.953 177.584 -0.040 0.000 1.175 66 A CA 1.811 53.810 52.037 -0.062 0.000 0.627 66 A CB -0.437 18.535 19.000 -0.047 0.000 0.815 66 A HN 0.363 nan 8.150 nan 0.000 0.443 67 K N -0.241 120.132 120.400 -0.046 0.000 2.026 67 K HA -0.110 4.307 4.320 0.161 0.000 0.208 67 K C 1.783 178.392 176.600 0.016 0.000 1.048 67 K CA 1.853 58.149 56.287 0.016 0.000 0.929 67 K CB -0.237 32.293 32.500 0.050 0.000 0.713 67 K HN 0.241 nan 8.250 nan 0.000 0.439 68 V N 1.012 120.838 119.914 -0.146 0.000 2.407 68 V HA -0.175 4.042 4.120 0.161 0.000 0.245 68 V C 2.336 178.408 176.094 -0.036 0.000 1.041 68 V CA 1.985 64.179 62.300 -0.177 0.000 1.040 68 V CB -0.081 31.488 31.823 -0.422 0.000 0.671 68 V HN 0.553 nan 8.190 nan 0.000 0.455 69 S N -1.350 114.324 115.700 -0.043 0.000 2.461 69 S HA -0.106 4.460 4.470 0.161 0.000 0.228 69 S C 1.182 175.800 174.600 0.029 0.000 1.005 69 S CA 0.362 58.570 58.200 0.013 0.000 0.942 69 S CB -0.174 63.059 63.200 0.055 0.000 0.776 69 S HN 0.480 nan 8.310 nan 0.000 0.514 70 K N 0.447 120.860 120.400 0.021 0.000 3.130 70 K HA -0.178 4.239 4.320 0.161 0.000 0.282 70 K C -0.606 176.006 176.600 0.020 0.000 1.145 70 K CA 0.960 57.258 56.287 0.019 0.000 0.831 70 K CB -2.251 30.262 32.500 0.022 0.000 1.226 70 K HN 0.735 nan 8.250 nan 0.000 0.478 71 Q N 0.645 120.467 119.800 0.037 0.000 2.214 71 Q HA 0.362 4.799 4.340 0.161 0.000 0.251 71 Q C -2.210 173.819 176.000 0.049 0.000 0.936 71 Q CA -2.057 53.779 55.803 0.054 0.000 0.894 71 Q CB 1.068 29.863 28.738 0.095 0.000 1.252 71 Q HN -0.038 nan 8.270 nan 0.000 0.448 72 P HA -0.021 nan 4.420 nan 0.000 0.266 72 P C -0.942 176.400 177.300 0.071 0.000 1.195 72 P CA 0.172 63.303 63.100 0.050 0.000 0.768 72 P CB 0.597 32.334 31.700 0.063 0.000 0.838 73 V N 2.685 122.625 119.914 0.044 0.000 2.487 73 V HA 0.546 4.763 4.120 0.161 0.000 0.298 73 V C 0.407 176.513 176.094 0.020 0.000 1.028 73 V CA -0.854 61.477 62.300 0.051 0.000 0.860 73 V CB 1.629 33.462 31.823 0.017 0.000 0.991 73 V HN 0.724 nan 8.190 nan 0.000 0.427 74 A N 4.631 127.455 122.820 0.008 0.000 2.310 74 A HA 0.836 5.253 4.320 0.161 0.000 0.299 74 A C -0.605 176.961 177.584 -0.029 0.000 1.147 74 A CA -0.414 51.610 52.037 -0.022 0.000 0.818 74 A CB 1.198 20.160 19.000 -0.063 0.000 1.096 74 A HN 0.675 nan 8.150 nan 0.000 0.495 75 V N 2.820 122.732 119.914 -0.004 0.000 2.735 75 V HA 0.463 4.680 4.120 0.161 0.000 0.310 75 V C -0.594 175.523 176.094 0.038 0.000 1.061 75 V CA -0.259 62.048 62.300 0.013 0.000 0.913 75 V CB 1.764 33.595 31.823 0.013 0.000 1.005 75 V HN 0.753 nan 8.190 nan 0.000 0.428 76 I N 5.119 125.716 120.570 0.045 0.000 2.418 76 I HA 0.630 4.897 4.170 0.161 0.000 0.287 76 I C -0.293 175.871 176.117 0.078 0.000 1.008 76 I CA -0.660 60.682 61.300 0.070 0.000 1.104 76 I CB 1.896 39.931 38.000 0.058 0.000 1.264 76 I HN 0.529 nan 8.210 nan 0.000 0.438 77 V N 1.747 121.720 119.914 0.099 0.000 3.158 77 V HA 0.671 4.888 4.120 0.161 0.000 0.315 77 V C -0.122 176.034 176.094 0.103 0.000 1.148 77 V CA -0.501 61.857 62.300 0.097 0.000 1.042 77 V CB 1.770 33.653 31.823 0.099 0.000 1.101 77 V HN 0.677 nan 8.190 nan 0.000 0.448 78 T N 0.843 115.452 114.554 0.092 0.000 2.810 78 T HA 0.473 4.920 4.350 0.161 0.000 0.277 78 T C 0.536 175.293 174.700 0.094 0.000 0.973 78 T CA 0.372 62.525 62.100 0.088 0.000 0.949 78 T CB 1.001 69.913 68.868 0.074 0.000 1.075 78 T HN 1.819 nan 8.240 nan 0.000 0.537 79 S N 0.421 116.175 115.700 0.090 0.000 2.584 79 S HA 0.591 5.157 4.470 0.161 0.000 0.270 79 S C 0.896 175.533 174.600 0.061 0.000 1.346 79 S CA 0.177 58.425 58.200 0.078 0.000 1.018 79 S CB -0.114 63.130 63.200 0.073 0.000 0.899 79 S HN 1.848 nan 8.310 nan 0.000 0.542 80 G N 1.222 110.050 108.800 0.047 0.000 2.445 80 G HA2 -0.197 3.859 3.960 0.161 0.000 0.212 80 G HA3 -0.197 3.859 3.960 0.161 0.000 0.212 80 G C 0.700 175.621 174.900 0.036 0.000 1.217 80 G CA 0.749 45.870 45.100 0.036 0.000 1.002 80 G HN 1.850 nan 8.290 nan 0.000 0.574 81 T N -0.669 113.910 114.554 0.042 0.000 2.803 81 T HA 0.117 4.564 4.350 0.161 0.000 0.269 81 T C 2.653 177.394 174.700 0.069 0.000 1.052 81 T CA 3.098 65.230 62.100 0.052 0.000 1.136 81 T CB -0.740 68.161 68.868 0.054 0.000 0.864 81 T HN 2.147 nan 8.240 nan 0.000 0.467 82 A N 1.425 124.287 122.820 0.071 0.000 1.903 82 A HA -0.090 4.326 4.320 0.161 0.000 0.219 82 A C 2.673 180.316 177.584 0.100 0.000 1.191 82 A CA 2.182 54.269 52.037 0.083 0.000 0.638 82 A CB -1.343 17.705 19.000 0.081 0.000 0.823 82 A HN 0.470 nan 8.150 nan 0.000 0.451 83 V N -0.394 119.576 119.914 0.093 0.000 2.343 83 V HA -0.242 3.974 4.120 0.161 0.000 0.247 83 V C 3.024 179.217 176.094 0.165 0.000 1.051 83 V CA 1.987 64.359 62.300 0.121 0.000 1.036 83 V CB -1.297 30.554 31.823 0.047 0.000 0.654 83 V HN 0.652 nan 8.190 nan 0.000 0.451 84 A N 0.066 122.943 122.820 0.095 0.000 1.972 84 A HA -0.216 4.200 4.320 0.161 0.000 0.219 84 A C 2.035 179.758 177.584 0.232 0.000 1.169 84 A CA 1.713 53.838 52.037 0.147 0.000 0.635 84 A CB -0.743 18.313 19.000 0.094 0.000 0.810 84 A HN 0.627 nan 8.150 nan 0.000 0.446 85 N N -0.054 118.747 118.700 0.170 0.000 2.430 85 N HA -0.094 4.743 4.740 0.161 0.000 0.186 85 N C 1.232 176.826 175.510 0.140 0.000 1.032 85 N CA 0.953 54.097 53.050 0.156 0.000 0.893 85 N CB -0.208 38.353 38.487 0.123 0.000 0.957 85 N HN 0.504 nan 8.380 nan 0.000 0.442 86 L N -0.295 121.012 121.223 0.140 0.000 2.552 86 L HA -0.073 4.364 4.340 0.161 0.000 0.227 86 L C 1.999 178.817 176.870 -0.087 0.000 1.146 86 L CA 0.148 54.997 54.840 0.016 0.000 0.858 86 L CB -0.304 41.770 42.059 0.025 0.000 0.969 86 L HN 0.111 nan 8.230 nan 0.000 0.451 87 Y N 1.636 121.896 120.300 -0.067 0.000 2.163 87 Y HA -0.096 4.529 4.550 0.124 0.000 0.288 87 Y C -0.286 175.480 175.900 -0.223 0.000 1.136 87 Y CA 0.537 58.533 58.100 -0.173 0.000 1.147 87 Y CB -1.501 37.007 38.460 0.081 0.000 0.987 87 Y HN 0.109 nan 8.280 nan 0.000 0.509 88 P HA -0.224 nan 4.420 nan 0.000 0.212 88 P C 1.629 178.853 177.300 -0.127 0.000 1.178 88 P CA 2.849 65.933 63.100 -0.027 0.000 0.915 88 P CB -0.359 31.413 31.700 0.120 0.000 0.788 89 A N -0.885 121.721 122.820 -0.358 0.000 1.948 89 A HA -0.225 4.192 4.320 0.161 0.000 0.220 89 A C 2.162 179.595 177.584 -0.252 0.000 1.177 89 A CA 1.846 53.585 52.037 -0.496 0.000 0.636 89 A CB -1.720 16.887 19.000 -0.655 0.000 0.815 89 A HN 0.183 nan 8.150 nan 0.000 0.449 90 L N 0.050 121.132 121.223 -0.234 0.000 2.027 90 L HA -0.067 4.369 4.340 0.161 0.000 0.206 90 L C 2.237 179.052 176.870 -0.091 0.000 1.074 90 L CA 1.639 56.347 54.840 -0.219 0.000 0.745 90 L CB -0.564 41.225 42.059 -0.451 0.000 0.898 90 L HN 0.453 nan 8.230 nan 0.000 0.433 91 I N -0.304 120.225 120.570 -0.069 0.000 2.151 91 I HA -0.322 3.945 4.170 0.161 0.000 0.243 91 I C 2.508 178.625 176.117 -0.000 0.000 1.080 91 I CA 1.771 63.048 61.300 -0.039 0.000 1.339 91 I CB -0.477 37.385 38.000 -0.231 0.000 1.039 91 I HN 0.369 nan 8.210 nan 0.000 0.409 92 E N 1.408 121.588 120.200 -0.033 0.000 2.058 92 E HA -0.219 4.228 4.350 0.161 0.000 0.194 92 E C 2.140 178.735 176.600 -0.008 0.000 0.997 92 E CA 1.796 58.191 56.400 -0.009 0.000 0.801 92 E CB -0.190 29.512 29.700 0.003 0.000 0.746 92 E HN 0.422 nan 8.360 nan 0.000 0.450 93 A N 0.301 123.099 122.820 -0.036 0.000 1.883 93 A HA -0.106 4.310 4.320 0.161 0.000 0.217 93 A C 2.507 180.085 177.584 -0.010 0.000 1.186 93 A CA 1.850 53.868 52.037 -0.031 0.000 0.624 93 A CB -1.526 17.437 19.000 -0.061 0.000 0.822 93 A HN 0.441 nan 8.150 nan 0.000 0.444 94 G N -0.870 107.934 108.800 0.006 0.000 2.501 94 G HA2 -0.103 3.953 3.960 0.161 0.000 0.220 94 G HA3 -0.103 3.953 3.960 0.161 0.000 0.220 94 G C 1.424 176.343 174.900 0.031 0.000 1.114 94 G CA 1.141 46.259 45.100 0.030 0.000 0.757 94 G HN 0.458 nan 8.290 nan 0.000 0.559 95 L N -0.088 121.154 121.223 0.031 0.000 2.362 95 L HA 0.103 4.539 4.340 0.161 0.000 0.204 95 L C 2.997 179.877 176.870 0.017 0.000 1.060 95 L CA 1.382 56.238 54.840 0.027 0.000 0.827 95 L CB -0.002 42.076 42.059 0.030 0.000 1.027 95 L HN 0.322 nan 8.230 nan 0.000 0.474 96 T N -4.407 110.156 114.554 0.014 0.000 3.037 96 T HA 0.253 4.699 4.350 0.161 0.000 0.251 96 T C 1.407 176.113 174.700 0.010 0.000 1.079 96 T CA 0.659 62.767 62.100 0.014 0.000 1.067 96 T CB 0.864 69.743 68.868 0.019 0.000 0.948 96 T HN 0.396 nan 8.240 nan 0.000 0.496 97 G N 0.868 109.670 108.800 0.003 0.000 2.201 97 G HA2 -0.189 3.868 3.960 0.161 0.000 0.212 97 G HA3 -0.189 3.868 3.960 0.161 0.000 0.212 97 G C -0.221 174.668 174.900 -0.018 0.000 0.994 97 G CA -0.232 44.865 45.100 -0.005 0.000 0.644 97 G HN 0.579 nan 8.290 nan 0.000 0.508 98 E N 1.447 121.639 120.200 -0.012 0.000 2.608 98 E HA 0.291 4.738 4.350 0.161 0.000 0.259 98 E C 0.547 177.130 176.600 -0.029 0.000 0.951 98 E CA 0.771 57.159 56.400 -0.020 0.000 0.945 98 E CB 0.349 30.035 29.700 -0.024 0.000 0.916 98 E HN 0.418 nan 8.360 nan 0.000 0.477 99 K N 3.434 123.818 120.400 -0.027 0.000 2.267 99 K HA 0.305 4.722 4.320 0.161 0.000 0.282 99 K C -0.486 176.102 176.600 -0.021 0.000 1.078 99 K CA -0.240 56.033 56.287 -0.024 0.000 0.903 99 K CB 0.641 33.131 32.500 -0.016 0.000 1.111 99 K HN 0.340 nan 8.250 nan 0.000 0.475 100 L N 5.100 126.306 121.223 -0.028 0.000 2.325 100 L HA 0.436 4.872 4.340 0.161 0.000 0.281 100 L C -0.440 176.425 176.870 -0.008 0.000 1.004 100 L CA -1.030 53.792 54.840 -0.030 0.000 0.823 100 L CB 1.370 43.391 42.059 -0.064 0.000 1.236 100 L HN 0.436 nan 8.230 nan 0.000 0.415 101 I N 5.351 125.925 120.570 0.007 0.000 2.306 101 I HA 0.264 4.531 4.170 0.161 0.000 0.288 101 I C 0.009 176.150 176.117 0.041 0.000 1.036 101 I CA -0.269 61.048 61.300 0.027 0.000 1.221 101 I CB 1.155 39.173 38.000 0.030 0.000 1.385 101 I HN 0.457 nan 8.210 nan 0.000 0.472 102 L N 7.486 128.756 121.223 0.077 0.000 2.270 102 L HA 0.385 4.822 4.340 0.161 0.000 0.286 102 L C -0.248 176.724 176.870 0.170 0.000 1.059 102 L CA -0.428 54.488 54.840 0.127 0.000 0.839 102 L CB 0.587 42.748 42.059 0.170 0.000 1.221 102 L HN 0.414 nan 8.230 nan 0.000 0.431 103 L N 3.777 125.079 121.223 0.131 0.000 2.287 103 L HA 0.284 4.720 4.340 0.161 0.000 0.280 103 L C 0.578 177.548 176.870 0.167 0.000 1.055 103 L CA -0.349 54.572 54.840 0.136 0.000 0.863 103 L CB 0.785 42.915 42.059 0.118 0.000 1.245 103 L HN 0.513 nan 8.230 nan 0.000 0.432 104 T N 0.067 114.738 114.554 0.194 0.000 2.753 104 T HA 0.702 5.149 4.350 0.161 0.000 0.297 104 T C 0.356 175.169 174.700 0.189 0.000 0.981 104 T CA -0.710 61.514 62.100 0.207 0.000 0.956 104 T CB 1.445 70.489 68.868 0.295 0.000 0.936 104 T HN 0.509 nan 8.240 nan 0.000 0.463 105 A N 3.232 126.174 122.820 0.204 0.000 2.425 105 A HA 0.563 4.980 4.320 0.161 0.000 0.242 105 A C 0.238 177.935 177.584 0.187 0.000 1.077 105 A CA -0.351 51.844 52.037 0.263 0.000 0.781 105 A CB 0.206 19.362 19.000 0.260 0.000 1.020 105 A HN 0.916 nan 8.150 nan 0.000 0.494 106 D N -0.590 119.923 120.400 0.189 0.000 2.583 106 D HA 0.423 5.159 4.640 0.161 0.000 0.248 106 D C -0.517 175.839 176.300 0.094 0.000 1.209 106 D CA -0.604 53.459 54.000 0.105 0.000 0.848 106 D CB 1.159 41.992 40.800 0.056 0.000 1.431 106 D HN 0.366 nan 8.370 nan 0.000 0.436 107 R N 1.304 121.838 120.500 0.056 0.000 2.679 107 R HA 0.381 4.817 4.340 0.161 0.000 0.269 107 R C -1.871 174.433 176.300 0.006 0.000 1.076 107 R CA -1.364 54.759 56.100 0.038 0.000 1.160 107 R CB -0.568 29.747 30.300 0.025 0.000 1.054 107 R HN 0.387 nan 8.270 nan 0.000 0.507 108 P HA 0.115 nan 4.420 nan 0.000 0.274 108 P C -1.926 175.350 177.300 -0.039 0.000 1.260 108 P CA -1.150 61.922 63.100 -0.046 0.000 0.793 108 P CB 0.179 31.846 31.700 -0.056 0.000 1.048 109 P HA -0.117 nan 4.420 nan 0.000 0.220 109 P C 1.113 178.393 177.300 -0.033 0.000 1.148 109 P CA 1.427 64.503 63.100 -0.040 0.000 0.803 109 P CB -0.160 31.512 31.700 -0.048 0.000 0.782 110 E N -0.372 119.805 120.200 -0.038 0.000 2.333 110 E HA -0.111 4.336 4.350 0.161 0.000 0.200 110 E C 1.530 178.117 176.600 -0.021 0.000 1.010 110 E CA 0.861 57.242 56.400 -0.031 0.000 0.841 110 E CB -0.657 29.023 29.700 -0.034 0.000 0.757 110 E HN 0.325 nan 8.360 nan 0.000 0.508 111 L N 0.171 121.383 121.223 -0.017 0.000 2.808 111 L HA 0.211 4.647 4.340 0.161 0.000 0.246 111 L C -0.130 176.737 176.870 -0.005 0.000 1.153 111 L CA -0.444 54.391 54.840 -0.009 0.000 0.956 111 L CB 0.435 42.492 42.059 -0.004 0.000 1.270 111 L HN 0.054 nan 8.230 nan 0.000 0.528 112 I N 0.390 120.954 120.570 -0.009 0.000 2.440 112 I HA 0.164 4.431 4.170 0.161 0.000 0.294 112 I C 0.437 176.550 176.117 -0.006 0.000 0.995 112 I CA -0.149 61.147 61.300 -0.006 0.000 1.306 112 I CB 0.963 38.958 38.000 -0.009 0.000 1.407 112 I HN 0.142 nan 8.210 nan 0.000 0.501 113 D N 3.589 123.987 120.400 -0.004 0.000 2.708 113 D HA -0.197 4.539 4.640 0.161 0.000 0.236 113 D C 0.536 176.835 176.300 -0.003 0.000 1.146 113 D CA 0.947 54.945 54.000 -0.003 0.000 0.662 113 D CB -1.161 39.636 40.800 -0.004 0.000 1.059 113 D HN 0.823 nan 8.370 nan 0.000 0.428 114 C N -3.360 115.939 119.300 -0.002 0.000 3.395 114 C HA 0.683 5.240 4.460 0.161 0.000 0.264 114 C C 1.729 176.719 174.990 -0.000 0.000 2.141 114 C CA 0.377 59.394 59.018 -0.002 0.000 1.689 114 C CB 0.057 27.794 27.740 -0.005 0.000 3.416 114 C HN 0.720 nan 8.230 nan 0.000 0.432 115 G N 1.317 110.118 108.800 0.002 0.000 2.196 115 G HA2 0.042 4.098 3.960 0.161 0.000 0.268 115 G HA3 0.042 4.098 3.960 0.161 0.000 0.268 115 G C 0.482 175.385 174.900 0.005 0.000 0.975 115 G CA 0.454 45.556 45.100 0.004 0.000 0.648 115 G HN 1.942 nan 8.290 nan 0.000 0.538 116 A N -0.022 122.801 122.820 0.005 0.000 2.498 116 A HA 0.444 4.861 4.320 0.161 0.000 0.239 116 A C 0.801 178.392 177.584 0.012 0.000 1.068 116 A CA 0.398 52.440 52.037 0.008 0.000 0.766 116 A CB 0.168 19.173 19.000 0.008 0.000 1.003 116 A HN 0.626 nan 8.150 nan 0.000 0.497 117 N N 1.215 119.924 118.700 0.014 0.000 2.412 117 N HA -0.038 4.798 4.740 0.161 0.000 0.254 117 N C 0.397 175.921 175.510 0.022 0.000 1.232 117 N CA 0.961 54.022 53.050 0.018 0.000 0.880 117 N CB 0.246 38.745 38.487 0.020 0.000 1.076 117 N HN 0.812 nan 8.380 nan 0.000 0.458 118 Q N 0.130 119.943 119.800 0.023 0.000 2.489 118 Q HA -0.236 4.201 4.340 0.161 0.000 0.259 118 Q C -1.390 174.627 176.000 0.027 0.000 0.934 118 Q CA 0.790 56.610 55.803 0.028 0.000 1.131 118 Q CB -1.236 27.523 28.738 0.035 0.000 1.472 118 Q HN 0.644 nan 8.270 nan 0.000 0.560 119 A N 1.304 124.136 122.820 0.021 0.000 2.316 119 A HA 0.650 5.067 4.320 0.161 0.000 0.324 119 A C -0.008 177.583 177.584 0.011 0.000 1.375 119 A CA -0.557 51.491 52.037 0.017 0.000 0.882 119 A CB 0.226 19.235 19.000 0.014 0.000 1.152 119 A HN 0.477 nan 8.150 nan 0.000 0.512 120 I N -1.263 119.313 120.570 0.009 0.000 2.863 120 I HA 0.628 4.895 4.170 0.161 0.000 0.311 120 I C -0.069 176.044 176.117 -0.007 0.000 1.026 120 I CA -1.269 60.030 61.300 -0.001 0.000 1.077 120 I CB 1.611 39.607 38.000 -0.007 0.000 1.262 120 I HN 0.449 nan 8.210 nan 0.000 0.461 121 R N 2.837 123.330 120.500 -0.013 0.000 2.343 121 R HA 0.125 4.561 4.340 0.161 0.000 0.326 121 R C 0.211 176.491 176.300 -0.034 0.000 1.055 121 R CA 0.228 56.318 56.100 -0.017 0.000 0.961 121 R CB 0.661 30.952 30.300 -0.014 0.000 0.978 121 R HN 0.724 nan 8.270 nan 0.000 0.443 122 Q N 2.255 122.042 119.800 -0.022 0.000 2.442 122 Q HA 0.119 4.555 4.340 0.161 0.000 0.228 122 Q C -1.789 174.227 176.000 0.025 0.000 0.902 122 Q CA -0.283 55.504 55.803 -0.027 0.000 0.933 122 Q CB 0.162 28.905 28.738 0.009 0.000 1.071 122 Q HN 0.439 nan 8.270 nan 0.000 0.562 123 P HA 0.023 nan 4.420 nan 0.000 0.268 123 P C 0.380 177.705 177.300 0.043 0.000 1.204 123 P CA 1.377 64.513 63.100 0.059 0.000 0.768 123 P CB 0.545 32.261 31.700 0.026 0.000 0.842 124 G N 2.296 111.143 108.800 0.078 0.000 2.179 124 G HA2 -0.367 3.689 3.960 0.161 0.000 0.260 124 G HA3 -0.367 3.689 3.960 0.161 0.000 0.260 124 G C 1.010 175.886 174.900 -0.041 0.000 0.977 124 G CA 0.415 45.544 45.100 0.047 0.000 0.641 124 G HN 0.457 nan 8.290 nan 0.000 0.533 125 M N -0.904 118.581 119.600 -0.191 0.000 2.080 125 M HA 0.095 4.671 4.480 0.161 0.000 0.260 125 M C 1.745 177.741 176.300 -0.506 0.000 1.068 125 M CA 1.768 56.802 55.300 -0.443 0.000 1.109 125 M CB -0.181 31.915 32.600 -0.840 0.000 1.342 125 M HN 0.255 nan 8.290 nan 0.000 0.405 126 F N 0.102 119.867 119.950 -0.308 0.000 2.731 126 F HA 0.368 4.974 4.527 0.132 0.000 0.304 126 F C 1.442 177.274 175.800 0.052 0.000 1.133 126 F CA 0.067 57.824 58.000 -0.406 0.000 1.380 126 F CB -1.456 37.248 39.000 -0.494 0.000 1.079 126 F HN 0.232 nan 8.300 nan 0.000 0.550 127 A N 0.578 123.513 122.820 0.192 0.000 5.391 127 A HA -0.389 4.027 4.320 0.161 0.000 0.315 127 A C 1.734 179.423 177.584 0.176 0.000 1.874 127 A CA 2.020 54.172 52.037 0.192 0.000 0.714 127 A CB -2.052 17.089 19.000 0.236 0.000 1.335 127 A HN 0.685 nan 8.150 nan 0.000 0.382 128 S N -0.540 115.222 115.700 0.103 0.000 2.679 128 S HA 0.245 4.812 4.470 0.161 0.000 0.233 128 S C 1.062 175.590 174.600 -0.119 0.000 0.951 128 S CA 0.803 58.995 58.200 -0.014 0.000 0.973 128 S CB -0.577 62.578 63.200 -0.076 0.000 0.778 128 S HN 0.685 nan 8.310 nan 0.000 0.477 129 H N 2.103 121.267 119.070 0.157 0.000 2.431 129 H HA 0.217 4.879 4.556 0.177 0.000 0.295 129 H C -1.627 173.733 175.328 0.054 0.000 1.038 129 H CA 0.153 56.281 56.048 0.132 0.000 1.360 129 H CB -1.159 28.757 29.762 0.258 0.000 1.433 129 H HN 0.493 nan 8.280 nan 0.000 0.536 130 P HA 0.028 nan 4.420 nan 0.000 0.271 130 P C 0.669 177.989 177.300 0.033 0.000 1.218 130 P CA 0.326 63.473 63.100 0.079 0.000 0.780 130 P CB 1.520 33.315 31.700 0.159 0.000 0.901 131 T N 0.903 115.431 114.554 -0.045 0.000 2.674 131 T HA -0.069 4.378 4.350 0.161 0.000 0.265 131 T C 0.599 175.159 174.700 -0.234 0.000 1.039 131 T CA 1.469 63.465 62.100 -0.174 0.000 1.150 131 T CB -0.388 68.314 68.868 -0.276 0.000 0.864 131 T HN 0.518 nan 8.240 nan 0.000 0.427 132 H N 0.101 119.199 119.070 0.046 0.000 2.572 132 H HA 0.617 5.270 4.556 0.161 0.000 0.359 132 H C -0.828 174.555 175.328 0.091 0.000 1.134 132 H CA -0.743 55.339 56.048 0.056 0.000 1.187 132 H CB 1.606 31.382 29.762 0.022 0.000 1.597 132 H HN 0.032 nan 8.280 nan 0.000 0.524 133 S N 2.577 118.419 115.700 0.237 0.000 2.473 133 S HA 0.511 5.077 4.470 0.161 0.000 0.307 133 S C 0.309 174.975 174.600 0.109 0.000 1.094 133 S CA -0.685 57.632 58.200 0.194 0.000 1.070 133 S CB 1.018 64.352 63.200 0.223 0.000 1.019 133 S HN 0.388 nan 8.310 nan 0.000 0.480 134 I N 2.519 123.107 120.570 0.029 0.000 2.382 134 I HA 0.243 4.510 4.170 0.161 0.000 0.285 134 I C -0.292 175.802 176.117 -0.038 0.000 1.007 134 I CA -0.261 61.041 61.300 0.004 0.000 1.142 134 I CB 1.628 39.624 38.000 -0.007 0.000 1.289 134 I HN 0.473 nan 8.210 nan 0.000 0.453 135 S N 7.467 123.180 115.700 0.021 0.000 2.464 135 S HA 0.425 4.992 4.470 0.161 0.000 0.313 135 S C 0.045 174.700 174.600 0.092 0.000 1.078 135 S CA -0.552 57.660 58.200 0.020 0.000 1.096 135 S CB 0.093 63.309 63.200 0.028 0.000 1.032 135 S HN 0.393 nan 8.310 nan 0.000 0.498 136 L N 4.706 125.992 121.223 0.104 0.000 2.439 136 L HA 0.308 4.744 4.340 0.161 0.000 0.269 136 L C -1.765 175.210 176.870 0.175 0.000 1.179 136 L CA -1.583 53.394 54.840 0.228 0.000 0.828 136 L CB 0.408 42.610 42.059 0.239 0.000 1.106 136 L HN 0.315 nan 8.230 nan 0.000 0.467 137 P HA 0.170 nan 4.420 nan 0.000 0.284 137 P C -0.999 176.270 177.300 -0.052 0.000 1.292 137 P CA -0.892 62.236 63.100 0.048 0.000 0.800 137 P CB 0.469 32.153 31.700 -0.027 0.000 1.188 138 R N 1.022 121.432 120.500 -0.150 0.000 2.399 138 R HA 0.149 4.586 4.340 0.161 0.000 0.324 138 R C -1.886 174.147 176.300 -0.445 0.000 1.030 138 R CA -1.254 54.687 56.100 -0.265 0.000 0.984 138 R CB -0.882 29.296 30.300 -0.205 0.000 0.961 138 R HN 0.326 nan 8.270 nan 0.000 0.433 139 P HA -0.073 nan 4.420 nan 0.000 0.258 139 P C -0.757 176.083 177.300 -0.768 0.000 1.172 139 P CA 0.555 62.763 63.100 -1.487 0.000 0.762 139 P CB 0.934 31.755 31.700 -1.466 0.000 0.764 140 T N 1.420 115.626 114.554 -0.580 0.000 2.894 140 T HA 0.136 4.583 4.350 0.161 0.000 0.309 140 T C 0.993 175.419 174.700 -0.457 0.000 1.208 140 T CA -0.645 61.106 62.100 -0.581 0.000 1.016 140 T CB 1.080 69.744 68.868 -0.339 0.000 1.192 140 T HN 0.242 nan 8.240 nan 0.000 0.491 141 Q N 1.392 120.719 119.800 -0.789 0.000 2.234 141 Q HA -0.106 4.330 4.340 0.161 0.000 0.206 141 Q C 1.045 177.083 176.000 0.063 0.000 0.980 141 Q CA 1.452 57.039 55.803 -0.360 0.000 0.869 141 Q CB -0.048 28.522 28.738 -0.280 0.000 0.912 141 Q HN 0.717 nan 8.270 nan 0.000 0.436 142 D N 0.752 121.141 120.400 -0.018 0.000 2.264 142 D HA -0.027 4.710 4.640 0.161 0.000 0.208 142 D C 0.529 176.904 176.300 0.125 0.000 0.966 142 D CA 0.628 54.654 54.000 0.044 0.000 0.864 142 D CB 0.223 41.000 40.800 -0.038 0.000 0.933 142 D HN 0.271 nan 8.370 nan 0.000 0.499 143 I N 3.569 124.267 120.570 0.213 0.000 2.297 143 I HA 0.140 4.406 4.170 0.161 0.000 0.291 143 I C -2.109 174.375 176.117 0.612 0.000 1.033 143 I CA -2.032 59.435 61.300 0.279 0.000 1.253 143 I CB 1.496 39.608 38.000 0.187 0.000 1.396 143 I HN -0.279 nan 8.210 nan 0.000 0.476 144 P HA 0.007 nan 4.420 nan 0.000 0.269 144 P C 0.513 177.802 177.300 -0.020 0.000 1.215 144 P CA -0.151 63.081 63.100 0.219 0.000 0.780 144 P CB 1.042 32.753 31.700 0.018 0.000 0.898 145 A N 3.605 125.879 122.820 -0.910 0.000 2.024 145 A HA -0.233 4.184 4.320 0.161 0.000 0.220 145 A C 2.184 179.261 177.584 -0.846 0.000 1.164 145 A CA 1.789 53.131 52.037 -1.159 0.000 0.643 145 A CB -1.029 16.956 19.000 -1.691 0.000 0.806 145 A HN 0.704 nan 8.150 nan 0.000 0.451 146 R N -1.912 118.109 120.500 -0.798 0.000 2.148 146 R HA -0.175 4.262 4.340 0.161 0.000 0.227 146 R C 1.993 177.945 176.300 -0.580 0.000 1.103 146 R CA 1.518 57.023 56.100 -0.991 0.000 0.983 146 R CB -0.610 29.226 30.300 -0.773 0.000 0.874 146 R HN 0.658 nan 8.270 nan 0.000 0.451 147 W N 1.451 122.519 121.300 -0.387 0.000 2.407 147 W HA -0.085 4.671 4.660 0.159 0.000 0.305 147 W C 1.839 178.197 176.519 -0.268 0.000 1.196 147 W CA 0.683 57.890 57.345 -0.230 0.000 1.311 147 W CB -0.285 29.121 29.460 -0.089 0.000 1.135 147 W HN 0.086 nan 8.180 nan 0.000 0.514 148 L N 0.678 121.765 121.223 -0.226 0.000 2.043 148 L HA -0.180 4.256 4.340 0.161 0.000 0.212 148 L C 2.364 178.821 176.870 -0.688 0.000 1.075 148 L CA 2.258 56.778 54.840 -0.533 0.000 0.752 148 L CB -1.511 40.270 42.059 -0.463 0.000 0.891 148 L HN 0.080 nan 8.230 nan 0.000 0.432 149 V N -1.781 117.708 119.914 -0.709 0.000 2.719 149 V HA -0.144 4.072 4.120 0.161 0.000 0.252 149 V C 2.397 178.194 176.094 -0.494 0.000 1.065 149 V CA 1.686 63.596 62.300 -0.651 0.000 1.086 149 V CB 0.168 31.418 31.823 -0.956 0.000 0.700 149 V HN 0.585 nan 8.190 nan 0.000 0.467 150 S N 0.006 115.375 115.700 -0.551 0.000 2.368 150 S HA -0.176 4.390 4.470 0.161 0.000 0.224 150 S C 1.911 176.287 174.600 -0.374 0.000 1.029 150 S CA 1.979 59.985 58.200 -0.324 0.000 0.988 150 S CB -0.400 62.638 63.200 -0.270 0.000 0.838 150 S HN 0.762 nan 8.310 nan 0.000 0.462 151 T N 2.635 116.789 114.554 -0.668 0.000 2.746 151 T HA 0.026 4.472 4.350 0.161 0.000 0.267 151 T C 1.747 176.257 174.700 -0.316 0.000 1.039 151 T CA 1.075 62.840 62.100 -0.558 0.000 1.142 151 T CB -0.404 67.956 68.868 -0.846 0.000 0.866 151 T HN 0.313 nan 8.240 nan 0.000 0.444 152 I N 1.272 121.645 120.570 -0.329 0.000 2.226 152 I HA -0.170 4.096 4.170 0.161 0.000 0.245 152 I C 2.361 178.351 176.117 -0.211 0.000 1.100 152 I CA 1.160 62.325 61.300 -0.225 0.000 1.374 152 I CB -0.395 37.486 38.000 -0.198 0.000 1.057 152 I HN 0.115 nan 8.210 nan 0.000 0.413 153 D N -0.084 120.234 120.400 -0.137 0.000 2.104 153 D HA -0.257 4.479 4.640 0.161 0.000 0.194 153 D C 2.000 178.272 176.300 -0.047 0.000 0.994 153 D CA 1.641 55.627 54.000 -0.024 0.000 0.830 153 D CB -0.372 40.513 40.800 0.142 0.000 0.959 153 D HN 0.455 nan 8.370 nan 0.000 0.452 154 H N 0.524 119.514 119.070 -0.132 0.000 2.321 154 H HA 0.020 4.672 4.556 0.161 0.000 0.300 154 H C 1.829 177.051 175.328 -0.176 0.000 1.087 154 H CA 2.168 58.138 56.048 -0.131 0.000 1.319 154 H CB -0.248 29.413 29.762 -0.168 0.000 1.379 154 H HN 0.041 nan 8.280 nan 0.000 0.501 155 A N 1.471 124.139 122.820 -0.252 0.000 1.859 155 A HA -0.181 4.236 4.320 0.161 0.000 0.218 155 A C 2.543 180.048 177.584 -0.132 0.000 1.209 155 A CA 1.988 53.873 52.037 -0.252 0.000 0.639 155 A CB -1.035 17.907 19.000 -0.098 0.000 0.835 155 A HN 0.484 nan 8.150 nan 0.000 0.450 156 L N -1.128 119.954 121.223 -0.236 0.000 2.072 156 L HA -0.094 4.342 4.340 0.161 0.000 0.205 156 L C 2.774 179.577 176.870 -0.112 0.000 1.079 156 L CA 1.677 56.367 54.840 -0.251 0.000 0.752 156 L CB -1.471 40.206 42.059 -0.638 0.000 0.906 156 L HN 0.552 nan 8.230 nan 0.000 0.436 157 G N -0.608 108.143 108.800 -0.081 0.000 2.534 157 G HA2 -0.183 3.874 3.960 0.161 0.000 0.217 157 G HA3 -0.183 3.874 3.960 0.161 0.000 0.217 157 G C 1.256 176.171 174.900 0.024 0.000 1.128 157 G CA 1.042 46.187 45.100 0.076 0.000 0.784 157 G HN 0.462 nan 8.290 nan 0.000 0.542 158 T N -1.746 112.782 114.554 -0.043 0.000 3.269 158 T HA 0.486 4.933 4.350 0.161 0.000 0.269 158 T C 0.035 174.809 174.700 0.125 0.000 0.993 158 T CA -0.604 61.498 62.100 0.004 0.000 0.909 158 T CB 0.273 69.057 68.868 -0.139 0.000 1.115 158 T HN -0.020 nan 8.240 nan 0.000 0.543 159 L N 1.869 123.138 121.223 0.077 0.000 2.287 159 L HA 0.480 4.917 4.340 0.161 0.000 0.280 159 L C 1.072 177.961 176.870 0.032 0.000 1.055 159 L CA -0.431 54.433 54.840 0.040 0.000 0.863 159 L CB 0.508 42.575 42.059 0.014 0.000 1.245 159 L HN 0.373 nan 8.230 nan 0.000 0.432 160 H N 3.793 122.842 119.070 -0.034 0.000 2.357 160 H HA 0.397 5.049 4.556 0.160 0.000 0.301 160 H C 0.452 175.760 175.328 -0.033 0.000 1.082 160 H CA 1.176 57.208 56.048 -0.026 0.000 1.342 160 H CB 0.463 30.210 29.762 -0.025 0.000 1.389 160 H HN 0.702 nan 8.280 nan 0.000 0.511 161 A N -2.277 120.543 122.820 0.000 0.000 2.456 161 A HA 0.526 4.943 4.320 0.161 0.000 0.294 161 A C 0.030 177.591 177.584 -0.038 0.000 1.057 161 A CA -0.217 51.798 52.037 -0.036 0.000 0.623 161 A CB 0.008 19.002 19.000 -0.011 0.000 1.338 161 A HN 0.992 nan 8.150 nan 0.000 0.464 162 G N -1.560 107.220 108.800 -0.034 0.000 2.760 162 G HA2 0.500 4.557 3.960 0.161 0.000 0.246 162 G HA3 0.500 4.557 3.960 0.161 0.000 0.246 162 G C 0.570 175.442 174.900 -0.048 0.000 1.359 162 G CA 0.306 45.384 45.100 -0.038 0.000 0.861 162 G HN 2.448 nan 8.290 nan 0.000 0.541 163 G N -2.121 106.652 108.800 -0.045 0.000 2.601 163 G HA2 0.812 4.869 3.960 0.161 0.000 0.317 163 G HA3 0.812 4.869 3.960 0.161 0.000 0.317 163 G C -0.924 173.973 174.900 -0.006 0.000 1.246 163 G CA 0.051 45.131 45.100 -0.035 0.000 1.012 163 G HN 1.545 nan 8.290 nan 0.000 0.494 164 V N 0.129 120.063 119.914 0.034 0.000 2.577 164 V HA 0.330 4.546 4.120 0.161 0.000 0.303 164 V C -0.844 175.345 176.094 0.158 0.000 1.042 164 V CA -0.779 61.578 62.300 0.094 0.000 0.872 164 V CB 1.645 33.513 31.823 0.076 0.000 0.998 164 V HN 0.866 nan 8.190 nan 0.000 0.423 165 H N 5.589 124.719 119.070 0.100 0.000 2.556 165 H HA 0.606 5.264 4.556 0.170 0.000 0.310 165 H C -1.351 174.051 175.328 0.122 0.000 1.057 165 H CA -0.675 55.461 56.048 0.147 0.000 1.264 165 H CB 1.147 31.064 29.762 0.257 0.000 1.404 165 H HN 0.547 nan 8.280 nan 0.000 0.462 166 I N 5.217 125.753 120.570 -0.056 0.000 2.382 166 I HA 0.055 4.321 4.170 0.161 0.000 0.285 166 I C -0.169 175.839 176.117 -0.181 0.000 1.007 166 I CA -0.547 60.675 61.300 -0.131 0.000 1.142 166 I CB 1.237 39.226 38.000 -0.018 0.000 1.289 166 I HN 0.569 nan 8.210 nan 0.000 0.453 167 N N 5.096 123.613 118.700 -0.305 0.000 2.488 167 N HA 0.361 5.198 4.740 0.161 0.000 0.274 167 N C -1.274 174.223 175.510 -0.023 0.000 1.111 167 N CA -0.183 52.775 53.050 -0.154 0.000 0.974 167 N CB 0.808 39.192 38.487 -0.172 0.000 1.089 167 N HN 0.526 nan 8.380 nan 0.000 0.465 168 C N 5.422 124.740 119.300 0.029 0.000 3.002 168 C HA 0.404 4.961 4.460 0.161 0.000 0.248 168 C C -2.397 172.482 174.990 -0.185 0.000 1.153 168 C CA -1.574 57.432 59.018 -0.020 0.000 1.502 168 C CB 0.219 28.060 27.740 0.168 0.000 1.805 168 C HN 0.621 nan 8.230 nan 0.000 0.450 169 P HA 0.238 nan 4.420 nan 0.000 0.266 169 P C -0.769 176.197 177.300 -0.558 0.000 1.195 169 P CA 0.447 63.412 63.100 -0.225 0.000 0.768 169 P CB 0.229 31.829 31.700 -0.166 0.000 0.838 170 F N 1.120 121.052 119.950 -0.030 0.000 2.617 170 F HA 0.519 5.140 4.527 0.158 0.000 0.325 170 F C 0.414 176.170 175.800 -0.073 0.000 1.179 170 F CA -0.798 57.162 58.000 -0.067 0.000 0.965 170 F CB 1.203 40.180 39.000 -0.039 0.000 1.232 170 F HN 0.217 nan 8.300 nan 0.000 0.461 171 A N 2.537 125.383 122.820 0.044 0.000 2.332 171 A HA 0.529 4.946 4.320 0.161 0.000 0.258 171 A C 0.054 177.652 177.584 0.024 0.000 1.087 171 A CA -0.489 51.555 52.037 0.013 0.000 0.802 171 A CB 0.338 19.313 19.000 -0.042 0.000 1.042 171 A HN 0.782 nan 8.150 nan 0.000 0.489 172 E N 1.332 121.536 120.200 0.006 0.000 2.404 172 E HA 0.292 4.738 4.350 0.161 0.000 0.261 172 E C -1.956 174.639 176.600 -0.009 0.000 1.074 172 E CA -0.962 55.435 56.400 -0.004 0.000 0.917 172 E CB 0.271 29.976 29.700 0.009 0.000 0.965 172 E HN 0.545 nan 8.360 nan 0.000 0.433 173 P HA 0.088 nan 4.420 nan 0.000 0.276 173 P C -0.296 176.967 177.300 -0.061 0.000 1.252 173 P CA 0.018 63.115 63.100 -0.006 0.000 0.802 173 P CB 0.865 32.577 31.700 0.019 0.000 1.035 174 L N -1.092 120.034 121.223 -0.162 0.000 3.039 174 L HA 0.296 4.732 4.340 0.161 0.000 0.269 174 L C -0.156 176.390 176.870 -0.540 0.000 1.169 174 L CA -0.015 54.591 54.840 -0.391 0.000 0.986 174 L CB 0.085 41.777 42.059 -0.611 0.000 1.377 174 L HN 0.267 nan 8.230 nan 0.000 0.575 175 Y N 0.200 120.496 120.300 -0.006 0.000 2.425 175 Y HA 0.784 5.430 4.550 0.159 0.000 0.344 175 Y C 0.519 176.420 175.900 0.002 0.000 0.969 175 Y CA -1.041 57.056 58.100 -0.006 0.000 1.052 175 Y CB 2.084 40.540 38.460 -0.007 0.000 1.215 175 Y HN -0.092 nan 8.280 nan 0.000 0.451 179 D N 0.210 120.636 120.400 0.043 0.000 2.616 179 D HA 0.411 5.147 4.640 0.161 0.000 0.260 179 D C -0.320 176.010 176.300 0.050 0.000 1.158 179 D CA 0.103 54.129 54.000 0.043 0.000 1.085 179 D CB 1.398 42.225 40.800 0.045 0.000 1.222 179 D HN 0.666 nan 8.370 nan 0.000 0.626 180 D N -1.287 119.145 120.400 0.053 0.000 2.348 180 D HA 0.026 4.763 4.640 0.161 0.000 0.211 180 D C 1.431 177.787 176.300 0.093 0.000 0.998 180 D CA 0.456 54.494 54.000 0.062 0.000 0.873 180 D CB 0.071 40.903 40.800 0.053 0.000 0.925 180 D HN 0.313 nan 8.370 nan 0.000 0.524 181 T N -0.253 114.357 114.554 0.094 0.000 2.731 181 T HA -0.249 4.198 4.350 0.161 0.000 0.259 181 T C 1.662 176.480 174.700 0.196 0.000 1.054 181 T CA 1.816 63.988 62.100 0.119 0.000 1.158 181 T CB -0.413 68.518 68.868 0.105 0.000 0.847 181 T HN 0.339 nan 8.240 nan 0.000 0.470 182 G N -0.651 108.296 108.800 0.245 0.000 3.502 182 G HA2 0.358 4.414 3.960 0.161 0.000 0.267 182 G HA3 0.358 4.414 3.960 0.161 0.000 0.267 182 G C 1.130 176.232 174.900 0.337 0.000 1.090 182 G CA -0.229 45.076 45.100 0.342 0.000 0.795 182 G HN 0.379 nan 8.290 nan 0.000 0.535 183 L N 1.083 122.440 121.223 0.224 0.000 2.027 183 L HA -0.027 4.410 4.340 0.161 0.000 0.206 183 L C 2.770 179.763 176.870 0.205 0.000 1.074 183 L CA 2.260 57.202 54.840 0.169 0.000 0.745 183 L CB -0.225 41.889 42.059 0.092 0.000 0.898 183 L HN 0.177 nan 8.230 nan 0.000 0.433 184 S N -1.696 114.137 115.700 0.221 0.000 2.428 184 S HA -0.210 4.357 4.470 0.161 0.000 0.230 184 S C 1.527 176.289 174.600 0.270 0.000 1.014 184 S CA 1.079 59.401 58.200 0.204 0.000 0.957 184 S CB -0.806 62.495 63.200 0.168 0.000 0.784 184 S HN 0.684 nan 8.310 nan 0.000 0.499 185 W N 2.360 123.751 121.300 0.152 0.000 2.409 185 W HA 0.004 4.760 4.660 0.160 0.000 0.299 185 W C 2.220 178.842 176.519 0.173 0.000 1.203 185 W CA 0.974 58.426 57.345 0.178 0.000 1.298 185 W CB -0.259 29.367 29.460 0.276 0.000 1.127 185 W HN 0.217 nan 8.180 nan 0.000 0.528 186 Q N -0.222 119.821 119.800 0.406 0.000 2.167 186 Q HA -0.225 4.211 4.340 0.161 0.000 0.202 186 Q C 2.013 178.229 176.000 0.360 0.000 0.970 186 Q CA 1.495 57.493 55.803 0.325 0.000 0.855 186 Q CB -0.250 28.699 28.738 0.353 0.000 0.911 186 Q HN 0.462 nan 8.270 nan 0.000 0.438 187 Q N -0.364 119.568 119.800 0.220 0.000 2.472 187 Q HA 0.013 4.450 4.340 0.161 0.000 0.208 187 Q C 1.429 177.536 176.000 0.179 0.000 0.958 187 Q CA 0.089 56.016 55.803 0.208 0.000 0.932 187 Q CB 0.333 29.144 28.738 0.122 0.000 1.007 187 Q HN 0.089 nan 8.270 nan 0.000 0.508 188 R N 0.220 120.770 120.500 0.084 0.000 2.328 188 R HA -0.027 4.409 4.340 0.161 0.000 0.207 188 R C 1.132 177.445 176.300 0.022 0.000 1.056 188 R CA 0.688 56.802 56.100 0.024 0.000 1.016 188 R CB -0.056 30.201 30.300 -0.072 0.000 0.872 188 R HN 0.346 nan 8.270 nan 0.000 0.471 189 L N -0.107 121.146 121.223 0.050 0.000 2.627 189 L HA 0.126 4.562 4.340 0.161 0.000 0.232 189 L C 1.302 178.412 176.870 0.400 0.000 1.150 189 L CA 0.101 54.973 54.840 0.054 0.000 0.917 189 L CB -0.535 41.357 42.059 -0.278 0.000 1.104 189 L HN 0.219 nan 8.230 nan 0.000 0.445 190 G N 2.262 111.262 108.800 0.332 0.000 2.602 190 G HA2 -0.443 3.613 3.960 0.161 0.000 0.306 190 G HA3 -0.443 3.613 3.960 0.161 0.000 0.306 190 G C 0.435 175.551 174.900 0.360 0.000 1.301 190 G CA 0.648 45.927 45.100 0.299 0.000 0.974 190 G HN 0.630 nan 8.290 nan 0.000 0.547 191 D N -0.608 119.952 120.400 0.266 0.000 2.363 191 D HA 0.042 4.778 4.640 0.161 0.000 0.226 191 D C 1.606 178.047 176.300 0.235 0.000 1.020 191 D CA 1.130 55.264 54.000 0.223 0.000 0.892 191 D CB -0.392 40.482 40.800 0.123 0.000 0.900 191 D HN 0.619 nan 8.370 nan 0.000 0.531 192 W N 0.534 121.907 121.300 0.121 0.000 2.325 192 W HA -0.175 4.581 4.660 0.159 0.000 0.299 192 W C 1.124 177.641 176.519 -0.005 0.000 1.215 192 W CA 1.179 58.554 57.345 0.049 0.000 1.244 192 W CB -0.440 29.107 29.460 0.145 0.000 1.140 192 W HN 0.033 nan 8.180 nan 0.000 0.523 193 W N -0.013 121.341 121.300 0.090 0.000 2.350 193 W HA -0.177 4.579 4.660 0.160 0.000 0.289 193 W C 1.857 178.232 176.519 -0.241 0.000 1.215 193 W CA 1.410 58.667 57.345 -0.146 0.000 1.236 193 W CB -0.591 28.902 29.460 0.056 0.000 1.130 193 W HN -0.073 nan 8.180 nan 0.000 0.541 194 Q N -0.325 119.514 119.800 0.066 0.000 2.201 194 Q HA 0.079 4.516 4.340 0.161 0.000 0.217 194 Q C -0.230 175.712 176.000 -0.097 0.000 0.860 194 Q CA 0.045 55.840 55.803 -0.014 0.000 0.984 194 Q CB 0.252 29.007 28.738 0.028 0.000 1.095 194 Q HN -0.038 nan 8.270 nan 0.000 0.477 195 D N -0.814 119.459 120.400 -0.212 0.000 2.440 195 D HA 0.090 4.826 4.640 0.161 0.000 0.258 195 D C 0.039 176.177 176.300 -0.270 0.000 1.092 195 D CA -0.419 53.451 54.000 -0.216 0.000 1.016 195 D CB 1.590 42.263 40.800 -0.211 0.000 1.141 195 D HN -0.129 nan 8.370 nan 0.000 0.552 196 D N -0.829 119.452 120.400 -0.199 0.000 2.338 196 D HA 0.123 4.860 4.640 0.161 0.000 0.208 196 D C -0.136 176.054 176.300 -0.184 0.000 0.997 196 D CA 0.638 54.532 54.000 -0.177 0.000 0.880 196 D CB 0.440 41.167 40.800 -0.120 0.000 0.980 196 D HN 0.116 nan 8.370 nan 0.000 0.509 197 K N 0.032 120.336 120.400 -0.160 0.000 2.245 197 K HA 0.475 4.892 4.320 0.161 0.000 0.234 197 K C -2.552 174.039 176.600 -0.015 0.000 1.021 197 K CA -2.074 54.152 56.287 -0.102 0.000 0.898 197 K CB 1.407 33.873 32.500 -0.057 0.000 1.163 197 K HN -0.178 nan 8.250 nan 0.000 0.459 198 P HA -0.109 nan 4.420 nan 0.000 0.270 198 P C -0.040 177.485 177.300 0.374 0.000 1.223 198 P CA -0.150 63.077 63.100 0.211 0.000 0.785 198 P CB 0.410 32.143 31.700 0.055 0.000 0.923 199 W N 2.530 123.925 121.300 0.158 0.000 2.379 199 W HA -0.031 4.725 4.660 0.161 0.000 0.307 199 W C -0.283 176.190 176.519 -0.076 0.000 1.200 199 W CA 1.008 58.266 57.345 -0.146 0.000 1.297 199 W CB -0.183 28.933 29.460 -0.573 0.000 1.140 199 W HN 0.142 nan 8.180 nan 0.000 0.507 200 L N 2.610 123.927 121.223 0.157 0.000 2.305 200 L HA 0.400 4.836 4.340 0.161 0.000 0.284 200 L C -0.308 176.605 176.870 0.072 0.000 1.013 200 L CA -0.614 54.263 54.840 0.062 0.000 0.819 200 L CB 1.319 43.447 42.059 0.115 0.000 1.227 200 L HN -0.152 nan 8.230 nan 0.000 0.417 201 R N 4.645 125.155 120.500 0.018 0.000 2.198 201 R HA 0.419 4.856 4.340 0.161 0.000 0.339 201 R C -0.740 175.585 176.300 0.041 0.000 1.020 201 R CA -0.348 55.771 56.100 0.030 0.000 0.864 201 R CB 1.067 31.362 30.300 -0.007 0.000 1.105 201 R HN 0.582 nan 8.270 nan 0.000 0.463 202 E N 2.114 122.357 120.200 0.071 0.000 2.302 202 E HA 0.407 4.854 4.350 0.161 0.000 0.263 202 E C -1.453 175.186 176.600 0.065 0.000 0.897 202 E CA -0.430 56.011 56.400 0.068 0.000 0.809 202 E CB 1.628 31.386 29.700 0.095 0.000 1.270 202 E HN 0.743 nan 8.360 nan 0.000 0.410 203 A N 5.100 127.952 122.820 0.053 0.000 3.455 203 A HA 0.314 4.731 4.320 0.161 0.000 0.225 203 A C -2.605 175.009 177.584 0.049 0.000 1.052 203 A CA -0.818 51.252 52.037 0.054 0.000 1.005 203 A CB 0.165 19.197 19.000 0.053 0.000 1.318 203 A HN 0.413 nan 8.150 nan 0.000 0.639 204 P HA 0.456 nan 4.420 nan 0.000 0.275 204 P C -0.585 176.752 177.300 0.062 0.000 1.228 204 P CA -0.203 62.925 63.100 0.048 0.000 0.786 204 P CB 0.663 32.389 31.700 0.043 0.000 0.927 205 R N 1.478 122.013 120.500 0.057 0.000 2.441 205 R HA 0.390 4.827 4.340 0.161 0.000 0.284 205 R C -0.286 176.049 176.300 0.059 0.000 1.070 205 R CA -0.931 55.214 56.100 0.076 0.000 1.047 205 R CB -0.180 30.158 30.300 0.063 0.000 1.016 205 R HN 0.455 nan 8.270 nan 0.000 0.477 206 L N 1.852 123.116 121.223 0.068 0.000 2.280 206 L HA 0.421 4.857 4.340 0.161 0.000 0.287 206 L C -0.512 176.350 176.870 -0.015 0.000 1.023 206 L CA 0.114 54.932 54.840 -0.037 0.000 0.819 206 L CB 0.964 42.897 42.059 -0.209 0.000 1.212 206 L HN 0.651 nan 8.230 nan 0.000 0.420 207 E N 2.348 122.545 120.200 -0.004 0.000 2.352 207 E HA 0.456 4.903 4.350 0.161 0.000 0.280 207 E C -1.359 175.252 176.600 0.019 0.000 0.930 207 E CA -0.553 55.862 56.400 0.026 0.000 0.765 207 E CB 1.747 31.480 29.700 0.054 0.000 1.219 207 E HN 0.595 nan 8.360 nan 0.000 0.434 208 S N 2.779 118.498 115.700 0.032 0.000 2.523 208 S HA 0.079 4.645 4.470 0.161 0.000 0.275 208 S C -0.428 174.215 174.600 0.071 0.000 1.281 208 S CA -0.602 57.620 58.200 0.035 0.000 1.050 208 S CB 0.543 63.756 63.200 0.022 0.000 0.937 208 S HN 0.488 nan 8.310 nan 0.000 0.492 209 E N 2.421 122.653 120.200 0.053 0.000 2.459 209 E HA -0.065 4.382 4.350 0.161 0.000 0.264 209 E C 0.046 176.703 176.600 0.095 0.000 1.055 209 E CA -0.378 56.057 56.400 0.058 0.000 0.957 209 E CB 0.315 30.041 29.700 0.045 0.000 0.952 209 E HN 0.520 nan 8.360 nan 0.000 0.448 210 K N 2.497 122.937 120.400 0.067 0.000 2.491 210 K HA -0.108 4.309 4.320 0.161 0.000 0.279 210 K C -0.318 176.385 176.600 0.172 0.000 1.026 210 K CA -0.052 56.267 56.287 0.054 0.000 1.070 210 K CB 0.506 32.948 32.500 -0.096 0.000 0.887 210 K HN 0.394 nan 8.250 nan 0.000 0.481 211 Q N 4.553 124.592 119.800 0.398 0.000 2.300 211 Q HA -0.019 4.417 4.340 0.161 0.000 0.262 211 Q C 0.577 176.829 176.000 0.419 0.000 1.109 211 Q CA 0.422 56.437 55.803 0.352 0.000 0.905 211 Q CB 0.733 29.645 28.738 0.291 0.000 1.280 211 Q HN 0.634 nan 8.270 nan 0.000 0.426 212 R N 1.666 122.351 120.500 0.309 0.000 2.200 212 R HA -0.142 4.294 4.340 0.161 0.000 0.234 212 R C 0.615 177.160 176.300 0.409 0.000 1.127 212 R CA 1.453 57.731 56.100 0.298 0.000 0.989 212 R CB 0.333 30.746 30.300 0.189 0.000 0.869 212 R HN 0.603 nan 8.270 nan 0.000 0.459 213 D N -0.947 119.771 120.400 0.531 0.000 2.427 213 D HA -0.119 4.617 4.640 0.161 0.000 0.224 213 D C 1.203 178.056 176.300 0.921 0.000 1.157 213 D CA -0.319 54.064 54.000 0.638 0.000 0.828 213 D CB -0.721 40.436 40.800 0.595 0.000 0.974 213 D HN 0.331 nan 8.370 nan 0.000 0.498 214 W N 0.599 122.333 121.300 0.723 0.000 2.338 214 W HA -0.238 4.519 4.660 0.162 0.000 0.304 214 W C 0.511 177.277 176.519 0.411 0.000 1.212 214 W CA 0.603 58.349 57.345 0.669 0.000 1.264 214 W CB -0.259 29.550 29.460 0.582 0.000 1.142 214 W HN -0.095 nan 8.180 nan 0.000 0.512 215 F N -0.027 119.993 119.950 0.117 0.000 2.171 215 F HA -0.177 4.447 4.527 0.161 0.000 0.300 215 F C 2.316 178.042 175.800 -0.123 0.000 1.090 215 F CA 1.800 59.723 58.000 -0.127 0.000 1.293 215 F CB -1.512 37.490 39.000 0.003 0.000 1.013 215 F HN -0.144 nan 8.300 nan 0.000 0.486 216 F N -0.859 119.105 119.950 0.023 0.000 2.102 216 F HA -0.210 4.413 4.527 0.161 0.000 0.298 216 F C 1.896 177.516 175.800 -0.301 0.000 1.105 216 F CA 1.643 59.537 58.000 -0.177 0.000 1.239 216 F CB -0.716 38.131 39.000 -0.254 0.000 0.991 216 F HN -0.078 nan 8.300 nan 0.000 0.474 217 W N 1.432 122.726 121.300 -0.010 0.000 2.518 217 W HA -0.006 4.751 4.660 0.162 0.000 0.273 217 W C 2.491 178.819 176.519 -0.318 0.000 1.247 217 W CA 1.037 58.307 57.345 -0.125 0.000 1.288 217 W CB -0.229 29.291 29.460 0.100 0.000 1.107 217 W HN 0.003 nan 8.180 nan 0.000 0.586 218 R N 0.449 120.634 120.500 -0.525 0.000 2.235 218 R HA -0.062 4.375 4.340 0.161 0.000 0.213 218 R C 1.315 177.443 176.300 -0.287 0.000 1.059 218 R CA 1.048 56.724 56.100 -0.708 0.000 0.997 218 R CB -0.748 28.687 30.300 -1.442 0.000 0.884 218 R HN 0.285 nan 8.270 nan 0.000 0.462 219 Q N 0.866 120.489 119.800 -0.295 0.000 2.451 219 Q HA 0.109 4.546 4.340 0.161 0.000 0.206 219 Q C -0.045 175.850 176.000 -0.174 0.000 0.947 219 Q CA 0.490 56.154 55.803 -0.232 0.000 0.937 219 Q CB 0.245 28.793 28.738 -0.316 0.000 1.025 219 Q HN 0.176 nan 8.270 nan 0.000 0.511 220 K N 1.299 121.624 120.400 -0.126 0.000 2.109 220 K HA 0.338 4.755 4.320 0.161 0.000 0.243 220 K C 0.008 176.507 176.600 -0.169 0.000 1.006 220 K CA -0.604 55.575 56.287 -0.180 0.000 0.917 220 K CB 0.732 33.131 32.500 -0.168 0.000 1.081 220 K HN -0.031 nan 8.250 nan 0.000 0.468 221 R N 0.439 120.645 120.500 -0.491 0.000 2.291 221 R HA 0.286 4.723 4.340 0.161 0.000 0.333 221 R C 0.482 176.260 176.300 -0.869 0.000 1.082 221 R CA -0.145 55.367 56.100 -0.980 0.000 0.948 221 R CB 0.189 29.396 30.300 -1.820 0.000 1.009 221 R HN 0.644 nan 8.270 nan 0.000 0.460 222 G N 1.165 109.072 108.800 -1.487 0.000 2.511 222 G HA2 0.562 4.618 3.960 0.161 0.000 0.318 222 G HA3 0.562 4.618 3.960 0.161 0.000 0.318 222 G C -1.088 173.026 174.900 -1.311 0.000 1.210 222 G CA -0.481 43.436 45.100 -1.971 0.000 0.969 222 G HN 0.293 nan 8.290 nan 0.000 0.484 223 V N 0.358 119.957 119.914 -0.526 0.000 2.604 223 V HA 0.464 4.681 4.120 0.161 0.000 0.305 223 V C -0.207 175.971 176.094 0.140 0.000 1.043 223 V CA -0.731 61.531 62.300 -0.062 0.000 0.888 223 V CB 1.787 33.622 31.823 0.020 0.000 0.995 223 V HN 0.559 nan 8.190 nan 0.000 0.429 224 V N 4.925 125.004 119.914 0.275 0.000 2.407 224 V HA 0.415 4.631 4.120 0.161 0.000 0.278 224 V C -0.078 176.120 176.094 0.173 0.000 1.037 224 V CA -0.548 61.941 62.300 0.316 0.000 0.900 224 V CB 1.624 33.707 31.823 0.434 0.000 0.983 224 V HN 0.607 nan 8.190 nan 0.000 0.459 225 V N 4.371 124.372 119.914 0.145 0.000 2.347 225 V HA 0.612 4.828 4.120 0.161 0.000 0.280 225 V C 0.560 176.709 176.094 0.093 0.000 1.021 225 V CA -0.519 61.846 62.300 0.109 0.000 0.847 225 V CB 1.475 33.382 31.823 0.140 0.000 0.990 225 V HN 0.970 nan 8.190 nan 0.000 0.444 226 A N 4.508 127.371 122.820 0.072 0.000 2.316 226 A HA 0.728 5.145 4.320 0.161 0.000 0.311 226 A C 0.817 178.414 177.584 0.021 0.000 1.339 226 A CA 0.211 52.275 52.037 0.045 0.000 0.960 226 A CB 0.216 19.244 19.000 0.046 0.000 1.152 226 A HN 0.943 nan 8.150 nan 0.000 0.547 227 G N 1.029 109.835 108.800 0.010 0.000 2.514 227 G HA2 0.310 4.367 3.960 0.161 0.000 0.245 227 G HA3 0.310 4.367 3.960 0.161 0.000 0.245 227 G C 0.397 175.284 174.900 -0.023 0.000 1.488 227 G CA -0.756 44.342 45.100 -0.002 0.000 1.063 227 G HN 0.848 nan 8.290 nan 0.000 0.557 228 R N 0.226 120.708 120.500 -0.029 0.000 2.449 228 R HA 0.361 4.798 4.340 0.161 0.000 0.296 228 R C 0.046 176.318 176.300 -0.045 0.000 1.047 228 R CA 0.502 56.576 56.100 -0.043 0.000 1.018 228 R CB -0.123 30.154 30.300 -0.038 0.000 0.962 228 R HN 0.614 nan 8.270 nan 0.000 0.428 229 M N 0.653 120.218 119.600 -0.059 0.000 2.949 229 M HA 0.266 4.842 4.480 0.161 0.000 0.270 229 M C -0.707 175.546 176.300 -0.078 0.000 1.221 229 M CA -1.030 54.236 55.300 -0.057 0.000 0.818 229 M CB 1.451 34.020 32.600 -0.051 0.000 1.635 229 M HN 0.493 nan 8.290 nan 0.000 0.492 230 S N 1.003 116.666 115.700 -0.061 0.000 2.568 230 S HA 0.450 5.016 4.470 0.161 0.000 0.282 230 S C 1.172 175.724 174.600 -0.081 0.000 1.338 230 S CA 0.051 58.211 58.200 -0.068 0.000 1.045 230 S CB 1.047 64.229 63.200 -0.030 0.000 0.873 230 S HN 1.126 nan 8.310 nan 0.000 0.516 231 A N 2.528 125.285 122.820 -0.106 0.000 1.894 231 A HA -0.216 4.200 4.320 0.161 0.000 0.220 231 A C 2.226 179.782 177.584 -0.046 0.000 1.237 231 A CA 2.068 54.054 52.037 -0.085 0.000 0.660 231 A CB -1.130 17.812 19.000 -0.097 0.000 0.835 231 A HN 0.902 nan 8.150 nan 0.000 0.461 232 E N -0.411 119.768 120.200 -0.035 0.000 2.072 232 E HA -0.160 4.286 4.350 0.161 0.000 0.191 232 E C 1.946 178.536 176.600 -0.016 0.000 0.985 232 E CA 1.418 57.806 56.400 -0.020 0.000 0.801 232 E CB -0.531 29.160 29.700 -0.014 0.000 0.750 232 E HN 0.801 nan 8.360 nan 0.000 0.452 233 E N 0.145 120.331 120.200 -0.023 0.000 2.085 233 E HA -0.153 4.294 4.350 0.161 0.000 0.194 233 E C 2.101 178.691 176.600 -0.016 0.000 0.994 233 E CA 1.208 57.593 56.400 -0.026 0.000 0.801 233 E CB -0.394 29.284 29.700 -0.037 0.000 0.743 233 E HN 0.348 nan 8.360 nan 0.000 0.453 234 G N 1.260 110.050 108.800 -0.017 0.000 2.440 234 G HA2 -0.316 3.740 3.960 0.161 0.000 0.218 234 G HA3 -0.316 3.740 3.960 0.161 0.000 0.218 234 G C 1.375 176.287 174.900 0.020 0.000 1.154 234 G CA 0.935 46.034 45.100 -0.001 0.000 0.767 234 G HN 0.135 nan 8.290 nan 0.000 0.552 235 K N 0.313 120.722 120.400 0.014 0.000 2.002 235 K HA -0.050 4.367 4.320 0.161 0.000 0.209 235 K C 2.575 179.202 176.600 0.045 0.000 1.048 235 K CA 1.315 57.619 56.287 0.027 0.000 0.930 235 K CB -0.195 32.315 32.500 0.017 0.000 0.714 235 K HN 0.169 nan 8.250 nan 0.000 0.438 236 K N 0.555 120.977 120.400 0.035 0.000 2.211 236 K HA -0.113 4.304 4.320 0.161 0.000 0.204 236 K C 1.944 178.604 176.600 0.100 0.000 1.047 236 K CA 0.893 57.210 56.287 0.051 0.000 0.935 236 K CB 0.046 32.554 32.500 0.013 0.000 0.728 236 K HN -0.039 nan 8.250 nan 0.000 0.452 237 V N 0.458 120.427 119.914 0.091 0.000 2.535 237 V HA -0.101 4.115 4.120 0.161 0.000 0.246 237 V C 2.119 178.347 176.094 0.224 0.000 1.045 237 V CA 1.584 63.984 62.300 0.167 0.000 1.058 237 V CB -0.037 31.840 31.823 0.090 0.000 0.689 237 V HN 0.312 nan 8.190 nan 0.000 0.461 238 A N -0.407 122.495 122.820 0.138 0.000 1.933 238 A HA -0.186 4.230 4.320 0.161 0.000 0.218 238 A C 2.175 179.831 177.584 0.120 0.000 1.175 238 A CA 1.828 53.934 52.037 0.115 0.000 0.628 238 A CB -0.471 18.571 19.000 0.069 0.000 0.814 238 A HN 0.473 nan 8.150 nan 0.000 0.444 239 L N -2.594 118.708 121.223 0.132 0.000 2.109 239 L HA -0.097 4.340 4.340 0.161 0.000 0.207 239 L C 2.319 179.290 176.870 0.169 0.000 1.086 239 L CA 1.280 56.192 54.840 0.120 0.000 0.760 239 L CB -0.227 41.899 42.059 0.111 0.000 0.910 239 L HN 0.751 nan 8.230 nan 0.000 0.437 240 W N -0.019 121.291 121.300 0.016 0.000 2.381 240 W HA -0.166 4.590 4.660 0.161 0.000 0.301 240 W C 2.365 178.879 176.519 -0.007 0.000 1.205 240 W CA 1.699 59.053 57.345 0.015 0.000 1.285 240 W CB -0.204 29.282 29.460 0.045 0.000 1.133 240 W HN 0.122 nan 8.180 nan 0.000 0.521 241 A N 0.059 122.953 122.820 0.124 0.000 1.873 241 A HA -0.275 4.142 4.320 0.161 0.000 0.215 241 A C 2.013 179.539 177.584 -0.098 0.000 1.186 241 A CA 1.908 53.913 52.037 -0.053 0.000 0.616 241 A CB -1.298 17.786 19.000 0.140 0.000 0.823 241 A HN 0.540 nan 8.150 nan 0.000 0.442 242 Q N -0.717 119.067 119.800 -0.026 0.000 2.133 242 Q HA -0.214 4.222 4.340 0.161 0.000 0.208 242 Q C 1.974 177.917 176.000 -0.094 0.000 0.991 242 Q CA 2.445 58.221 55.803 -0.044 0.000 0.867 242 Q CB -0.319 28.411 28.738 -0.013 0.000 0.911 242 Q HN 0.604 nan 8.270 nan 0.000 0.417 243 T N 1.053 115.530 114.554 -0.128 0.000 2.770 243 T HA -0.044 4.403 4.350 0.161 0.000 0.263 243 T C 1.780 176.333 174.700 -0.244 0.000 1.039 243 T CA 0.912 62.923 62.100 -0.148 0.000 1.142 243 T CB -0.193 68.597 68.868 -0.130 0.000 0.868 243 T HN 0.248 nan 8.240 nan 0.000 0.435 244 L N 0.451 121.414 121.223 -0.434 0.000 2.187 244 L HA -0.050 4.386 4.340 0.161 0.000 0.213 244 L C 2.095 178.728 176.870 -0.395 0.000 1.100 244 L CA 1.206 55.654 54.840 -0.654 0.000 0.765 244 L CB -0.592 40.730 42.059 -1.229 0.000 0.904 244 L HN 0.633 nan 8.230 nan 0.000 0.437 245 G N -2.490 106.203 108.800 -0.177 0.000 2.175 245 G HA2 -0.239 3.817 3.960 0.161 0.000 0.244 245 G HA3 -0.239 3.817 3.960 0.161 0.000 0.244 245 G C -0.219 174.776 174.900 0.158 0.000 0.982 245 G CA -0.270 44.836 45.100 0.011 0.000 0.641 245 G HN 0.129 nan 8.290 nan 0.000 0.527 246 W N 1.895 123.116 121.300 -0.132 0.000 2.313 246 W HA 0.561 5.317 4.660 0.160 0.000 0.328 246 W C -1.692 174.697 176.519 -0.217 0.000 1.197 246 W CA -2.786 54.477 57.345 -0.135 0.000 1.235 246 W CB 0.170 29.617 29.460 -0.020 0.000 1.158 246 W HN -0.003 nan 8.180 nan 0.000 0.578 247 P HA 0.045 nan 4.420 nan 0.000 0.271 247 P C -0.632 176.659 177.300 -0.015 0.000 1.226 247 P CA -0.238 62.757 63.100 -0.175 0.000 0.765 247 P CB 1.097 32.596 31.700 -0.334 0.000 0.835 248 L N 5.681 126.916 121.223 0.019 0.000 2.261 248 L HA 0.321 4.758 4.340 0.161 0.000 0.289 248 L C -0.092 176.826 176.870 0.081 0.000 1.059 248 L CA -0.396 54.490 54.840 0.076 0.000 0.816 248 L CB -0.197 41.913 42.059 0.084 0.000 1.191 248 L HN 0.276 nan 8.230 nan 0.000 0.431 249 I N 5.593 126.204 120.570 0.069 0.000 2.282 249 I HA 0.318 4.584 4.170 0.161 0.000 0.290 249 I C 0.715 176.850 176.117 0.030 0.000 1.090 249 I CA -0.288 61.042 61.300 0.050 0.000 1.231 249 I CB 0.813 38.779 38.000 -0.055 0.000 1.434 249 I HN 0.738 nan 8.210 nan 0.000 0.487 250 G N 4.069 112.891 108.800 0.035 0.000 2.335 250 G HA2 0.275 4.332 3.960 0.161 0.000 0.316 250 G HA3 0.275 4.332 3.960 0.161 0.000 0.316 250 G C -0.666 174.230 174.900 -0.007 0.000 1.129 250 G CA -0.360 44.753 45.100 0.022 0.000 0.899 250 G HN 0.512 nan 8.290 nan 0.000 0.448 251 D N 0.711 121.103 120.400 -0.014 0.000 2.361 251 D HA 0.125 4.862 4.640 0.161 0.000 0.239 251 D C 2.014 178.293 176.300 -0.035 0.000 1.200 251 D CA -0.019 53.962 54.000 -0.031 0.000 0.915 251 D CB 1.416 42.200 40.800 -0.027 0.000 1.170 251 D HN 0.174 nan 8.370 nan 0.000 0.444 252 V N 0.637 120.524 119.914 -0.045 0.000 2.469 252 V HA -0.207 4.009 4.120 0.161 0.000 0.251 252 V C 1.936 177.996 176.094 -0.056 0.000 1.064 252 V CA 1.408 63.679 62.300 -0.048 0.000 1.066 252 V CB -0.999 30.791 31.823 -0.055 0.000 0.667 252 V HN 0.516 nan 8.190 nan 0.000 0.461 253 L N 1.535 122.721 121.223 -0.063 0.000 2.599 253 L HA 0.063 4.500 4.340 0.161 0.000 0.230 253 L C 2.426 179.251 176.870 -0.075 0.000 1.141 253 L CA 0.935 55.727 54.840 -0.081 0.000 0.877 253 L CB -0.349 41.662 42.059 -0.079 0.000 1.009 253 L HN 0.573 nan 8.230 nan 0.000 0.447 254 S N -1.474 114.196 115.700 -0.050 0.000 2.524 254 S HA -0.068 4.498 4.470 0.161 0.000 0.216 254 S C 0.957 175.537 174.600 -0.033 0.000 0.987 254 S CA -0.254 57.924 58.200 -0.037 0.000 0.909 254 S CB -0.008 63.184 63.200 -0.014 0.000 0.781 254 S HN 0.460 nan 8.310 nan 0.000 0.521 255 Q N 1.244 121.025 119.800 -0.031 0.000 2.435 255 Q HA -0.178 4.259 4.340 0.161 0.000 0.286 255 Q C 0.949 176.949 176.000 0.001 0.000 1.229 255 Q CA 1.115 56.910 55.803 -0.013 0.000 0.884 255 Q CB -2.654 26.064 28.738 -0.033 0.000 1.245 255 Q HN 0.905 nan 8.270 nan 0.000 0.488 256 T N -5.935 108.623 114.554 0.007 0.000 3.051 256 T HA 0.375 4.822 4.350 0.161 0.000 0.255 256 T C 1.561 176.276 174.700 0.024 0.000 1.085 256 T CA 0.675 62.788 62.100 0.022 0.000 1.109 256 T CB 0.722 69.611 68.868 0.035 0.000 0.921 256 T HN 0.942 nan 8.240 nan 0.000 0.488 257 G N 0.992 109.802 108.800 0.015 0.000 2.284 257 G HA2 -0.223 3.833 3.960 0.161 0.000 0.201 257 G HA3 -0.223 3.833 3.960 0.161 0.000 0.201 257 G C 0.218 175.122 174.900 0.007 0.000 0.998 257 G CA -0.081 45.025 45.100 0.010 0.000 0.651 257 G HN 0.551 nan 8.290 nan 0.000 0.489 258 Q N -0.772 119.038 119.800 0.017 0.000 2.463 258 Q HA -0.168 4.268 4.340 0.161 0.000 0.299 258 Q C -1.103 174.918 176.000 0.035 0.000 1.353 258 Q CA 0.630 56.449 55.803 0.028 0.000 0.828 258 Q CB -1.093 27.657 28.738 0.019 0.000 1.157 258 Q HN 0.552 nan 8.270 nan 0.000 0.436 259 P HA -0.180 nan 4.420 nan 0.000 0.221 259 P C 0.208 177.508 177.300 -0.001 0.000 1.141 259 P CA 1.393 64.497 63.100 0.005 0.000 0.794 259 P CB 0.193 31.892 31.700 -0.003 0.000 0.764 260 L N 0.449 121.703 121.223 0.052 0.000 2.556 260 L HA 0.371 4.808 4.340 0.161 0.000 0.243 260 L C -2.313 174.739 176.870 0.303 0.000 1.331 260 L CA -2.138 52.759 54.840 0.094 0.000 0.927 260 L CB 1.349 43.439 42.059 0.052 0.000 1.219 260 L HN -0.185 nan 8.230 nan 0.000 0.490 261 P HA 0.023 nan 4.420 nan 0.000 0.271 261 P C 0.421 177.880 177.300 0.265 0.000 1.233 261 P CA -0.046 63.159 63.100 0.175 0.000 0.789 261 P CB 0.836 32.593 31.700 0.096 0.000 0.951 262 C N -1.249 118.112 119.300 0.101 0.000 4.432 262 C HA -0.110 4.446 4.460 0.161 0.000 0.294 262 C C 2.151 177.008 174.990 -0.222 0.000 1.398 262 C CA 0.247 59.280 59.018 0.025 0.000 1.988 262 C CB -3.203 24.604 27.740 0.111 0.000 1.251 262 C HN 0.748 nan 8.230 nan 0.000 0.791 263 A N 0.545 123.099 122.820 -0.443 0.000 1.892 263 A HA -0.248 4.169 4.320 0.161 0.000 0.218 263 A C 1.761 178.808 177.584 -0.895 0.000 1.188 263 A CA 2.613 53.921 52.037 -1.214 0.000 0.631 263 A CB -0.556 17.983 19.000 -0.769 0.000 0.822 263 A HN 0.692 nan 8.150 nan 0.000 0.447 264 D N -0.636 119.493 120.400 -0.453 0.000 2.239 264 D HA -0.157 4.579 4.640 0.161 0.000 0.202 264 D C 1.739 177.890 176.300 -0.248 0.000 0.993 264 D CA 1.362 55.188 54.000 -0.290 0.000 0.874 264 D CB -0.095 40.603 40.800 -0.170 0.000 0.922 264 D HN 0.516 nan 8.370 nan 0.000 0.464 265 L N -0.356 120.719 121.223 -0.247 0.000 2.056 265 L HA 0.022 4.458 4.340 0.161 0.000 0.202 265 L C 2.589 179.406 176.870 -0.088 0.000 1.086 265 L CA 0.777 55.544 54.840 -0.121 0.000 0.758 265 L CB -0.984 41.056 42.059 -0.031 0.000 0.912 265 L HN 0.340 nan 8.230 nan 0.000 0.446 266 W N 0.245 121.516 121.300 -0.048 0.000 2.392 266 W HA -0.133 4.624 4.660 0.162 0.000 0.279 266 W C 1.680 178.168 176.519 -0.051 0.000 1.225 266 W CA 0.336 57.650 57.345 -0.051 0.000 1.233 266 W CB -0.944 28.478 29.460 -0.064 0.000 1.122 266 W HN 0.141 nan 8.180 nan 0.000 0.561 267 L N 1.701 122.779 121.223 -0.242 0.000 2.549 267 L HA 0.039 4.476 4.340 0.161 0.000 0.229 267 L C 2.431 179.297 176.870 -0.006 0.000 1.158 267 L CA 1.256 55.989 54.840 -0.179 0.000 0.842 267 L CB -0.819 40.972 42.059 -0.446 0.000 0.952 267 L HN 0.111 nan 8.230 nan 0.000 0.452 268 G N -1.070 107.727 108.800 -0.005 0.000 3.371 268 G HA2 -0.063 3.993 3.960 0.161 0.000 0.248 268 G HA3 -0.063 3.993 3.960 0.161 0.000 0.248 268 G C 0.221 175.153 174.900 0.053 0.000 1.161 268 G CA -0.226 44.885 45.100 0.018 0.000 0.796 268 G HN 0.199 nan 8.290 nan 0.000 0.539 269 N N 0.422 119.182 118.700 0.101 0.000 2.372 269 N HA 0.379 5.216 4.740 0.161 0.000 0.285 269 N C 1.306 176.886 175.510 0.116 0.000 1.008 269 N CA 0.036 53.150 53.050 0.106 0.000 0.880 269 N CB 1.973 40.533 38.487 0.122 0.000 1.239 269 N HN -0.097 nan 8.380 nan 0.000 0.484 270 A N 4.658 127.538 122.820 0.100 0.000 1.971 270 A HA -0.218 4.199 4.320 0.161 0.000 0.222 270 A C 1.869 179.511 177.584 0.096 0.000 1.182 270 A CA 1.639 53.734 52.037 0.097 0.000 0.649 270 A CB -0.333 18.716 19.000 0.081 0.000 0.818 270 A HN 0.847 nan 8.150 nan 0.000 0.458 271 K N -0.661 119.788 120.400 0.082 0.000 2.211 271 K HA 0.015 4.431 4.320 0.161 0.000 0.203 271 K C 2.253 178.894 176.600 0.068 0.000 1.050 271 K CA 0.916 57.240 56.287 0.062 0.000 0.945 271 K CB -0.254 32.267 32.500 0.036 0.000 0.732 271 K HN 0.501 nan 8.250 nan 0.000 0.451 272 A N 1.309 124.190 122.820 0.103 0.000 1.843 272 A HA -0.129 4.288 4.320 0.161 0.000 0.213 272 A C 2.314 179.998 177.584 0.167 0.000 1.202 272 A CA 1.928 54.043 52.037 0.129 0.000 0.607 272 A CB -1.172 17.999 19.000 0.285 0.000 0.847 272 A HN 0.369 nan 8.150 nan 0.000 0.445 273 T N -0.987 113.692 114.554 0.208 0.000 2.685 273 T HA -0.211 4.235 4.350 0.161 0.000 0.268 273 T C 2.057 176.903 174.700 0.243 0.000 1.034 273 T CA 1.950 64.220 62.100 0.283 0.000 1.149 273 T CB -0.835 68.187 68.868 0.256 0.000 0.860 273 T HN 0.292 nan 8.240 nan 0.000 0.449 274 S N 1.296 117.096 115.700 0.166 0.000 2.359 274 S HA -0.199 4.367 4.470 0.161 0.000 0.222 274 S C 2.085 176.777 174.600 0.154 0.000 1.038 274 S CA 1.697 59.978 58.200 0.134 0.000 1.051 274 S CB -0.536 62.722 63.200 0.096 0.000 0.944 274 S HN 0.692 nan 8.310 nan 0.000 0.433 275 E N 0.470 120.759 120.200 0.148 0.000 2.085 275 E HA -0.146 4.300 4.350 0.161 0.000 0.194 275 E C 2.017 178.803 176.600 0.311 0.000 0.994 275 E CA 0.995 57.509 56.400 0.189 0.000 0.801 275 E CB -0.161 29.593 29.700 0.089 0.000 0.743 275 E HN 0.417 nan 8.360 nan 0.000 0.453 276 L N 0.248 121.645 121.223 0.290 0.000 2.141 276 L HA -0.172 4.264 4.340 0.161 0.000 0.209 276 L C 2.638 179.745 176.870 0.395 0.000 1.094 276 L CA 0.856 55.938 54.840 0.403 0.000 0.763 276 L CB -0.274 42.047 42.059 0.438 0.000 0.908 276 L HN 0.204 nan 8.230 nan 0.000 0.437 277 Q N 0.039 120.014 119.800 0.291 0.000 2.308 277 Q HA -0.289 4.148 4.340 0.161 0.000 0.209 277 Q C 2.140 178.191 176.000 0.085 0.000 0.985 277 Q CA 1.467 57.373 55.803 0.172 0.000 0.881 277 Q CB -0.014 28.799 28.738 0.124 0.000 0.917 277 Q HN 0.438 nan 8.270 nan 0.000 0.443 278 Q N -0.895 118.946 119.800 0.068 0.000 2.435 278 Q HA 0.103 4.540 4.340 0.161 0.000 0.207 278 Q C -0.279 175.555 176.000 -0.275 0.000 0.956 278 Q CA 0.200 55.945 55.803 -0.098 0.000 0.917 278 Q CB 0.168 28.840 28.738 -0.111 0.000 0.997 278 Q HN 0.388 nan 8.270 nan 0.000 0.497 279 A N 0.311 123.040 122.820 -0.151 0.000 2.386 279 A HA 0.045 4.461 4.320 0.161 0.000 0.248 279 A C 0.377 177.855 177.584 -0.177 0.000 1.082 279 A CA -0.072 51.827 52.037 -0.230 0.000 0.789 279 A CB 0.533 19.546 19.000 0.021 0.000 1.025 279 A HN 0.435 nan 8.150 nan 0.000 0.490 280 Q N 0.282 119.950 119.800 -0.219 0.000 2.369 280 Q HA 0.370 4.806 4.340 0.161 0.000 0.254 280 Q C -0.309 175.647 176.000 -0.074 0.000 0.858 280 Q CA 0.310 56.063 55.803 -0.084 0.000 0.961 280 Q CB 0.878 29.596 28.738 -0.034 0.000 1.119 280 Q HN 0.739 nan 8.270 nan 0.000 0.538 281 I N 0.675 121.112 120.570 -0.223 0.000 2.534 281 I HA 0.334 4.601 4.170 0.161 0.000 0.288 281 I C -1.634 174.239 176.117 -0.407 0.000 1.077 281 I CA -1.045 60.033 61.300 -0.369 0.000 1.051 281 I CB 1.938 39.707 38.000 -0.384 0.000 1.234 281 I HN -0.285 nan 8.210 nan 0.000 0.425 282 V N 7.732 127.393 119.914 -0.422 0.000 2.384 282 V HA 0.414 4.630 4.120 0.161 0.000 0.287 282 V C -0.401 175.447 176.094 -0.410 0.000 1.020 282 V CA -0.596 61.468 62.300 -0.394 0.000 0.850 282 V CB 1.676 33.201 31.823 -0.498 0.000 0.987 282 V HN 0.467 nan 8.190 nan 0.000 0.436 283 V N 5.407 125.271 119.914 -0.083 0.000 2.293 283 V HA 0.371 4.587 4.120 0.161 0.000 0.275 283 V C 0.059 176.203 176.094 0.083 0.000 1.021 283 V CA -0.439 61.921 62.300 0.100 0.000 0.815 283 V CB 1.230 33.315 31.823 0.436 0.000 1.025 283 V HN 0.927 nan 8.190 nan 0.000 0.448 284 Q N 5.194 124.992 119.800 -0.002 0.000 2.274 284 Q HA 0.544 4.980 4.340 0.161 0.000 0.256 284 Q C -1.417 174.563 176.000 -0.033 0.000 0.927 284 Q CA -0.568 55.261 55.803 0.044 0.000 0.939 284 Q CB 1.343 30.170 28.738 0.147 0.000 1.201 284 Q HN 0.687 nan 8.270 nan 0.000 0.426 285 L N 4.363 125.562 121.223 -0.040 0.000 2.294 285 L HA 0.628 5.064 4.340 0.161 0.000 0.283 285 L C 0.487 177.314 176.870 -0.072 0.000 1.015 285 L CA -0.338 54.425 54.840 -0.127 0.000 0.831 285 L CB 0.784 42.752 42.059 -0.151 0.000 1.217 285 L HN 1.004 nan 8.230 nan 0.000 0.420 286 G N 2.930 111.679 108.800 -0.085 0.000 2.795 286 G HA2 -0.088 3.968 3.960 0.161 0.000 0.664 286 G HA3 -0.088 3.968 3.960 0.161 0.000 0.664 286 G C -0.323 174.568 174.900 -0.016 0.000 1.381 286 G CA -0.160 44.910 45.100 -0.049 0.000 0.853 286 G HN 0.905 nan 8.290 nan 0.000 0.545 287 S N -2.359 113.335 115.700 -0.010 0.000 3.359 287 S HA 0.824 5.391 4.470 0.161 0.000 0.323 287 S C 0.690 175.290 174.600 0.000 0.000 1.143 287 S CA 0.687 58.890 58.200 0.006 0.000 0.989 287 S CB 1.161 64.365 63.200 0.006 0.000 1.375 287 S HN 2.511 nan 8.310 nan 0.000 0.728 288 S N 0.598 116.299 115.700 0.002 0.000 3.608 288 S HA -0.087 4.479 4.470 0.161 0.000 0.382 288 S C -0.401 174.194 174.600 -0.009 0.000 0.945 288 S CA -0.050 58.147 58.200 -0.005 0.000 1.256 288 S CB -1.669 61.523 63.200 -0.012 0.000 0.913 288 S HN 0.588 nan 8.310 nan 0.000 0.518 289 L N 1.505 122.730 121.223 0.003 0.000 2.453 289 L HA 0.226 4.663 4.340 0.161 0.000 0.272 289 L C 1.805 178.668 176.870 -0.013 0.000 1.182 289 L CA 0.945 55.787 54.840 0.003 0.000 0.858 289 L CB 0.236 42.313 42.059 0.030 0.000 1.120 289 L HN 0.439 nan 8.230 nan 0.000 0.474 290 T N 1.692 116.231 114.554 -0.026 0.000 2.815 290 T HA 0.069 4.515 4.350 0.161 0.000 0.244 290 T C 0.917 175.592 174.700 -0.042 0.000 1.040 290 T CA 0.508 62.584 62.100 -0.039 0.000 1.176 290 T CB -0.404 68.434 68.868 -0.050 0.000 0.880 290 T HN 0.781 nan 8.240 nan 0.000 0.414 291 G N 1.311 110.078 108.800 -0.055 0.000 2.464 291 G HA2 0.015 4.072 3.960 0.161 0.000 0.231 291 G HA3 0.015 4.072 3.960 0.161 0.000 0.231 291 G C 0.745 175.616 174.900 -0.050 0.000 1.267 291 G CA -0.160 44.900 45.100 -0.068 0.000 0.863 291 G HN 0.301 nan 8.290 nan 0.000 0.559 292 K N 0.965 121.334 120.400 -0.051 0.000 2.025 292 K HA -0.094 4.322 4.320 0.161 0.000 0.207 292 K C 2.598 179.184 176.600 -0.023 0.000 1.049 292 K CA 0.848 57.115 56.287 -0.033 0.000 0.933 292 K CB -0.075 32.405 32.500 -0.033 0.000 0.714 292 K HN 0.423 nan 8.250 nan 0.000 0.438 293 R N 0.696 121.169 120.500 -0.046 0.000 2.148 293 R HA -0.111 4.326 4.340 0.161 0.000 0.227 293 R C 2.268 178.579 176.300 0.017 0.000 1.103 293 R CA 0.585 56.668 56.100 -0.029 0.000 0.983 293 R CB -0.766 29.479 30.300 -0.092 0.000 0.874 293 R HN 0.224 nan 8.270 nan 0.000 0.451 294 L N 1.000 122.213 121.223 -0.016 0.000 2.093 294 L HA -0.032 4.405 4.340 0.161 0.000 0.208 294 L C 2.075 179.038 176.870 0.155 0.000 1.085 294 L CA 1.400 56.274 54.840 0.057 0.000 0.755 294 L CB -0.400 41.648 42.059 -0.019 0.000 0.904 294 L HN 0.034 nan 8.230 nan 0.000 0.435 295 L N -1.197 120.071 121.223 0.075 0.000 2.141 295 L HA -0.178 4.258 4.340 0.161 0.000 0.209 295 L C 2.545 179.444 176.870 0.048 0.000 1.094 295 L CA 1.046 55.919 54.840 0.055 0.000 0.763 295 L CB -0.443 41.624 42.059 0.013 0.000 0.908 295 L HN 0.371 nan 8.230 nan 0.000 0.437 296 Q N -1.308 118.528 119.800 0.060 0.000 2.020 296 Q HA -0.233 4.203 4.340 0.161 0.000 0.198 296 Q C 1.999 178.044 176.000 0.076 0.000 0.974 296 Q CA 1.816 57.646 55.803 0.046 0.000 0.829 296 Q CB -0.345 28.421 28.738 0.046 0.000 0.894 296 Q HN 0.502 nan 8.270 nan 0.000 0.433 297 W N 2.085 123.387 121.300 0.003 0.000 2.317 297 W HA -0.279 4.477 4.660 0.160 0.000 0.318 297 W C 2.339 178.905 176.519 0.077 0.000 1.227 297 W CA 2.027 59.392 57.345 0.034 0.000 1.269 297 W CB -0.235 29.236 29.460 0.019 0.000 1.155 297 W HN 0.149 nan 8.180 nan 0.000 0.484 298 Q N 0.220 120.128 119.800 0.180 0.000 2.084 298 Q HA -0.210 4.227 4.340 0.161 0.000 0.202 298 Q C 2.261 178.235 176.000 -0.043 0.000 0.978 298 Q CA 2.132 57.975 55.803 0.068 0.000 0.844 298 Q CB -0.705 28.166 28.738 0.221 0.000 0.898 298 Q HN 0.361 nan 8.270 nan 0.000 0.426 299 A N 0.556 123.333 122.820 -0.073 0.000 1.917 299 A HA -0.193 4.224 4.320 0.161 0.000 0.219 299 A C 2.131 179.612 177.584 -0.173 0.000 1.182 299 A CA 2.422 54.367 52.037 -0.153 0.000 0.633 299 A CB -0.520 18.410 19.000 -0.118 0.000 0.819 299 A HN 0.580 nan 8.150 nan 0.000 0.448 300 S N -1.724 113.880 115.700 -0.160 0.000 2.512 300 S HA 0.071 4.638 4.470 0.161 0.000 0.216 300 S C 0.937 175.421 174.600 -0.194 0.000 1.006 300 S CA 0.223 58.336 58.200 -0.146 0.000 0.915 300 S CB -1.603 61.534 63.200 -0.105 0.000 0.824 300 S HN 1.089 nan 8.310 nan 0.000 0.497 301 C N 1.831 120.878 119.300 -0.422 0.000 2.665 301 C HA 0.448 5.005 4.460 0.161 0.000 0.416 301 C C 0.598 175.480 174.990 -0.179 0.000 1.305 301 C CA -0.210 58.461 59.018 -0.579 0.000 1.903 301 C CB -0.573 26.305 27.740 -1.437 0.000 2.704 301 C HN 0.620 nan 8.230 nan 0.000 0.629 302 E N 2.568 122.685 120.200 -0.138 0.000 3.858 302 E HA 0.304 4.751 4.350 0.161 0.000 0.208 302 E C -1.961 174.624 176.600 -0.026 0.000 1.041 302 E CA -0.925 55.460 56.400 -0.024 0.000 1.368 302 E CB 0.454 30.155 29.700 0.003 0.000 1.176 302 E HN 0.779 nan 8.360 nan 0.000 0.448 303 P HA 0.022 nan 4.420 nan 0.000 0.271 303 P C 0.389 177.685 177.300 -0.007 0.000 1.233 303 P CA 0.070 63.135 63.100 -0.058 0.000 0.789 303 P CB 1.162 32.784 31.700 -0.131 0.000 0.951 304 E N -0.178 120.038 120.200 0.027 0.000 2.110 304 E HA -0.115 4.332 4.350 0.161 0.000 0.193 304 E C 0.256 176.884 176.600 0.048 0.000 0.988 304 E CA 1.194 57.654 56.400 0.100 0.000 0.804 304 E CB 0.192 30.044 29.700 0.253 0.000 0.745 304 E HN 0.552 nan 8.360 nan 0.000 0.458 305 E N -0.977 119.172 120.200 -0.086 0.000 2.331 305 E HA 0.252 4.699 4.350 0.161 0.000 0.275 305 E C -1.758 174.783 176.600 -0.098 0.000 0.895 305 E CA -0.568 55.777 56.400 -0.091 0.000 0.753 305 E CB 1.834 31.376 29.700 -0.262 0.000 1.216 305 E HN -0.036 nan 8.360 nan 0.000 0.434 306 Y N 1.981 122.288 120.300 0.011 0.000 2.334 306 Y HA 0.325 4.971 4.550 0.161 0.000 0.336 306 Y C -1.330 174.759 175.900 0.315 0.000 0.960 306 Y CA -0.683 57.435 58.100 0.032 0.000 1.164 306 Y CB 0.723 39.135 38.460 -0.079 0.000 1.155 306 Y HN 0.438 nan 8.280 nan 0.000 0.478 307 W N 7.046 128.272 121.300 -0.123 0.000 2.469 307 W HA 0.665 5.421 4.660 0.160 0.000 0.320 307 W C -0.971 175.520 176.519 -0.047 0.000 1.086 307 W CA -1.457 55.848 57.345 -0.067 0.000 1.211 307 W CB 1.039 30.438 29.460 -0.101 0.000 1.298 307 W HN 0.280 nan 8.180 nan 0.000 0.525 308 I N 3.541 124.194 120.570 0.139 0.000 2.512 308 I HA 0.318 4.584 4.170 0.161 0.000 0.287 308 I C -1.010 175.011 176.117 -0.161 0.000 1.069 308 I CA -1.084 60.239 61.300 0.038 0.000 1.056 308 I CB 1.898 39.969 38.000 0.118 0.000 1.229 308 I HN -0.129 nan 8.210 nan 0.000 0.429 309 V N 4.971 124.719 119.914 -0.277 0.000 2.407 309 V HA 0.596 4.812 4.120 0.161 0.000 0.291 309 V C -0.809 175.114 176.094 -0.285 0.000 1.018 309 V CA -0.314 61.708 62.300 -0.463 0.000 0.842 309 V CB 1.929 33.174 31.823 -0.964 0.000 0.996 309 V HN 0.675 nan 8.190 nan 0.000 0.426 310 D N 2.360 122.642 120.400 -0.198 0.000 2.663 310 D HA 0.221 4.957 4.640 0.161 0.000 0.233 310 D C -0.681 175.590 176.300 -0.048 0.000 1.240 310 D CA -0.357 53.579 54.000 -0.106 0.000 0.774 310 D CB 2.558 43.318 40.800 -0.066 0.000 1.443 310 D HN 0.628 nan 8.370 nan 0.000 0.441 311 D N 1.153 121.555 120.400 0.004 0.000 2.352 311 D HA 0.117 4.854 4.640 0.161 0.000 0.236 311 D C 0.830 177.226 176.300 0.160 0.000 1.148 311 D CA -0.150 53.910 54.000 0.100 0.000 0.844 311 D CB -0.629 40.223 40.800 0.087 0.000 0.933 311 D HN 0.462 nan 8.370 nan 0.000 0.507 312 I N -3.180 117.434 120.570 0.073 0.000 2.460 312 I HA 0.520 4.786 4.170 0.161 0.000 0.298 312 I C -0.160 175.971 176.117 0.023 0.000 0.989 312 I CA -1.115 60.231 61.300 0.077 0.000 1.173 312 I CB 1.841 39.865 38.000 0.040 0.000 1.338 312 I HN -0.305 nan 8.210 nan 0.000 0.456 313 E N 3.336 123.542 120.200 0.010 0.000 2.392 313 E HA 0.528 4.975 4.350 0.161 0.000 0.256 313 E C 0.441 177.024 176.600 -0.028 0.000 1.145 313 E CA 0.432 56.805 56.400 -0.045 0.000 0.929 313 E CB 0.691 30.348 29.700 -0.072 0.000 0.998 313 E HN 1.099 nan 8.360 nan 0.000 0.442 314 G N 0.744 109.522 108.800 -0.036 0.000 2.828 314 G HA2 -0.278 3.778 3.960 0.161 0.000 0.463 314 G HA3 -0.278 3.778 3.960 0.161 0.000 0.463 314 G C -0.734 174.158 174.900 -0.013 0.000 1.394 314 G CA -0.704 44.383 45.100 -0.022 0.000 0.862 314 G HN 0.487 nan 8.290 nan 0.000 0.540 315 R N -0.711 119.788 120.500 -0.002 0.000 2.543 315 R HA 0.440 4.877 4.340 0.161 0.000 0.277 315 R C 0.778 177.084 176.300 0.011 0.000 1.074 315 R CA 0.096 56.202 56.100 0.011 0.000 1.076 315 R CB 0.395 30.713 30.300 0.030 0.000 0.993 315 R HN 0.429 nan 8.270 nan 0.000 0.459 316 L N 0.551 121.780 121.223 0.011 0.000 3.086 316 L HA 0.184 4.621 4.340 0.161 0.000 0.274 316 L C -0.075 176.788 176.870 -0.012 0.000 1.184 316 L CA -0.120 54.724 54.840 0.006 0.000 1.002 316 L CB 0.530 42.595 42.059 0.010 0.000 1.383 316 L HN 0.505 nan 8.230 nan 0.000 0.582 317 D N 1.452 121.831 120.400 -0.035 0.000 2.443 317 D HA 0.228 4.965 4.640 0.161 0.000 0.221 317 D C -1.780 174.401 176.300 -0.198 0.000 1.097 317 D CA -1.973 51.947 54.000 -0.134 0.000 0.865 317 D CB 1.752 42.451 40.800 -0.167 0.000 1.034 317 D HN -0.098 nan 8.370 nan 0.000 0.511 318 P HA 0.072 nan 4.420 nan 0.000 0.237 318 P C 0.530 177.419 177.300 -0.684 0.000 1.178 318 P CA 0.404 63.334 63.100 -0.284 0.000 0.766 318 P CB 0.452 32.052 31.700 -0.166 0.000 0.876 319 A N -1.167 121.229 122.820 -0.708 0.000 2.252 319 A HA 0.057 4.474 4.320 0.161 0.000 0.213 319 A C 0.147 177.191 177.584 -0.900 0.000 1.188 319 A CA -0.019 51.517 52.037 -0.835 0.000 0.863 319 A CB -0.790 17.791 19.000 -0.698 0.000 0.893 319 A HN 0.229 nan 8.150 nan 0.000 0.495 320 H N -0.315 118.574 119.070 -0.302 0.000 2.819 320 H HA -0.164 4.488 4.556 0.160 0.000 0.315 320 H C -0.598 174.604 175.328 -0.210 0.000 1.242 320 H CA 0.947 56.875 56.048 -0.200 0.000 1.157 320 H CB -2.795 26.887 29.762 -0.134 0.000 1.451 320 H HN 0.788 nan 8.280 nan 0.000 0.430 321 H N 0.394 119.397 119.070 -0.111 0.000 2.790 321 H HA 0.179 4.831 4.556 0.161 0.000 0.358 321 H C 1.294 176.643 175.328 0.034 0.000 1.103 321 H CA -0.018 55.997 56.048 -0.054 0.000 1.426 321 H CB 0.698 30.402 29.762 -0.096 0.000 1.424 321 H HN 0.307 nan 8.280 nan 0.000 0.599 322 R N 1.765 122.380 120.500 0.193 0.000 2.585 322 R HA 0.235 4.671 4.340 0.161 0.000 0.275 322 R C 0.263 176.680 176.300 0.196 0.000 1.018 322 R CA 1.038 57.231 56.100 0.156 0.000 1.072 322 R CB -0.157 30.221 30.300 0.130 0.000 0.953 322 R HN 0.931 nan 8.270 nan 0.000 0.419 323 G N 3.064 111.966 108.800 0.170 0.000 2.491 323 G HA2 0.094 4.151 3.960 0.161 0.000 0.183 323 G HA3 0.094 4.151 3.960 0.161 0.000 0.183 323 G C -1.550 173.420 174.900 0.117 0.000 1.221 323 G CA -0.887 44.337 45.100 0.207 0.000 0.996 323 G HN 0.578 nan 8.290 nan 0.000 0.474 324 R N -0.620 119.929 120.500 0.081 0.000 2.795 324 R HA 0.800 5.237 4.340 0.161 0.000 0.275 324 R C -1.095 175.166 176.300 -0.064 0.000 0.981 324 R CA -1.084 54.958 56.100 -0.097 0.000 0.917 324 R CB 2.456 32.508 30.300 -0.413 0.000 1.202 324 R HN 0.509 nan 8.270 nan 0.000 0.469 325 R N 2.293 122.741 120.500 -0.087 0.000 2.422 325 R HA 0.371 4.808 4.340 0.161 0.000 0.307 325 R C -1.609 174.619 176.300 -0.119 0.000 1.004 325 R CA -0.342 55.713 56.100 -0.074 0.000 0.882 325 R CB 0.583 30.864 30.300 -0.031 0.000 1.164 325 R HN 0.639 nan 8.270 nan 0.000 0.489 326 L N 5.791 126.911 121.223 -0.172 0.000 2.298 326 L HA 0.535 4.972 4.340 0.161 0.000 0.284 326 L C -0.487 176.293 176.870 -0.149 0.000 1.013 326 L CA -1.152 53.582 54.840 -0.177 0.000 0.824 326 L CB 1.476 43.369 42.059 -0.276 0.000 1.221 326 L HN 0.473 nan 8.230 nan 0.000 0.418 327 I N 3.651 124.174 120.570 -0.080 0.000 2.322 327 I HA 0.614 4.881 4.170 0.161 0.000 0.292 327 I C 0.405 176.526 176.117 0.007 0.000 1.060 327 I CA 0.297 61.565 61.300 -0.053 0.000 1.309 327 I CB 0.924 38.874 38.000 -0.084 0.000 1.415 327 I HN 0.693 nan 8.210 nan 0.000 0.492 328 A N 5.309 128.138 122.820 0.015 0.000 2.605 328 A HA 0.427 4.843 4.320 0.161 0.000 0.294 328 A C -0.675 176.943 177.584 0.057 0.000 1.062 328 A CA -0.879 51.207 52.037 0.081 0.000 0.682 328 A CB 1.091 20.206 19.000 0.192 0.000 1.278 328 A HN 0.563 nan 8.150 nan 0.000 0.410 329 N N 1.657 120.403 118.700 0.077 0.000 2.440 329 N HA 0.043 4.880 4.740 0.161 0.000 0.265 329 N C 1.046 176.589 175.510 0.054 0.000 1.239 329 N CA 0.087 53.164 53.050 0.046 0.000 0.909 329 N CB 0.340 38.851 38.487 0.040 0.000 1.066 329 N HN 0.578 nan 8.380 nan 0.000 0.474 330 I N 3.676 124.248 120.570 0.002 0.000 2.087 330 I HA -0.370 3.897 4.170 0.161 0.000 0.240 330 I C 2.301 178.426 176.117 0.013 0.000 1.054 330 I CA 1.822 63.108 61.300 -0.024 0.000 1.311 330 I CB -0.395 37.558 38.000 -0.079 0.000 1.024 330 I HN 0.676 nan 8.210 nan 0.000 0.402 331 A N 0.240 123.056 122.820 -0.006 0.000 1.940 331 A HA -0.269 4.147 4.320 0.161 0.000 0.219 331 A C 1.907 179.492 177.584 0.001 0.000 1.176 331 A CA 2.296 54.324 52.037 -0.016 0.000 0.631 331 A CB -0.688 18.304 19.000 -0.013 0.000 0.814 331 A HN 0.404 nan 8.150 nan 0.000 0.446 332 D N -1.772 118.647 120.400 0.031 0.000 2.144 332 D HA -0.159 4.577 4.640 0.161 0.000 0.199 332 D C 1.509 177.841 176.300 0.053 0.000 0.984 332 D CA 1.073 55.095 54.000 0.036 0.000 0.834 332 D CB -0.366 40.465 40.800 0.052 0.000 0.955 332 D HN 0.764 nan 8.370 nan 0.000 0.465 333 W N 1.159 122.409 121.300 -0.083 0.000 2.409 333 W HA -0.029 4.728 4.660 0.162 0.000 0.299 333 W C 1.921 178.383 176.519 -0.095 0.000 1.203 333 W CA 0.903 58.216 57.345 -0.054 0.000 1.298 333 W CB -0.161 29.217 29.460 -0.137 0.000 1.127 333 W HN -0.093 nan 8.180 nan 0.000 0.528 334 L N 0.195 121.409 121.223 -0.014 0.000 2.017 334 L HA -0.208 4.228 4.340 0.161 0.000 0.208 334 L C 2.405 179.135 176.870 -0.233 0.000 1.073 334 L CA 1.641 56.287 54.840 -0.324 0.000 0.745 334 L CB -1.157 40.653 42.059 -0.414 0.000 0.894 334 L HN 0.012 nan 8.230 nan 0.000 0.432 335 E N 0.092 120.214 120.200 -0.130 0.000 2.130 335 E HA -0.256 4.191 4.350 0.161 0.000 0.196 335 E C 2.157 178.679 176.600 -0.130 0.000 0.998 335 E CA 1.170 57.523 56.400 -0.078 0.000 0.806 335 E CB -0.123 29.549 29.700 -0.047 0.000 0.738 335 E HN 0.255 nan 8.360 nan 0.000 0.459 336 L N 0.142 121.209 121.223 -0.260 0.000 2.179 336 L HA -0.057 4.380 4.340 0.161 0.000 0.208 336 L C 0.432 176.840 176.870 -0.770 0.000 1.096 336 L CA 1.529 56.102 54.840 -0.445 0.000 0.779 336 L CB -0.173 41.580 42.059 -0.510 0.000 0.922 336 L HN 0.074 nan 8.230 nan 0.000 0.443 337 H N -0.384 118.251 119.070 -0.724 0.000 2.410 337 H HA 0.313 4.966 4.556 0.161 0.000 0.232 337 H C -2.268 172.912 175.328 -0.247 0.000 1.535 337 H CA -2.512 52.986 56.048 -0.917 0.000 1.310 337 H CB -0.333 28.146 29.762 -2.139 0.000 1.518 337 H HN 0.103 nan 8.280 nan 0.000 0.545 338 P HA 0.169 nan 4.420 nan 0.000 0.272 338 P C -0.191 177.428 177.300 0.532 0.000 1.240 338 P CA -0.343 62.986 63.100 0.382 0.000 0.791 338 P CB 1.223 33.073 31.700 0.250 0.000 0.978 339 A N 0.852 123.877 122.820 0.341 0.000 2.312 339 A HA 0.446 4.862 4.320 0.161 0.000 0.328 339 A C -0.054 177.484 177.584 -0.078 0.000 1.158 339 A CA -0.569 51.434 52.037 -0.057 0.000 0.821 339 A CB 0.597 19.319 19.000 -0.465 0.000 1.170 339 A HN 0.613 nan 8.150 nan 0.000 0.490 340 E N 0.929 121.018 120.200 -0.184 0.000 2.227 340 E HA 0.370 4.817 4.350 0.161 0.000 0.268 340 E C -0.879 175.632 176.600 -0.148 0.000 0.907 340 E CA -0.909 55.421 56.400 -0.117 0.000 0.786 340 E CB 1.254 30.893 29.700 -0.102 0.000 1.191 340 E HN 0.456 nan 8.360 nan 0.000 0.411 341 K N 3.334 123.679 120.400 -0.091 0.000 2.419 341 K HA 0.065 4.482 4.320 0.161 0.000 0.282 341 K C -0.705 175.841 176.600 -0.090 0.000 1.056 341 K CA 0.521 56.755 56.287 -0.088 0.000 1.035 341 K CB 0.242 32.711 32.500 -0.051 0.000 0.921 341 K HN 0.367 nan 8.250 nan 0.000 0.472 342 R N 2.849 123.286 120.500 -0.105 0.000 2.867 342 R HA 0.261 4.697 4.340 0.161 0.000 0.268 342 R C -0.938 175.345 176.300 -0.028 0.000 1.014 342 R CA -1.289 54.771 56.100 -0.067 0.000 0.946 342 R CB 1.398 31.650 30.300 -0.081 0.000 1.208 342 R HN 0.688 nan 8.270 nan 0.000 0.477 343 Q N 1.532 121.341 119.800 0.016 0.000 2.230 343 Q HA 0.412 4.849 4.340 0.161 0.000 0.253 343 Q C -2.310 173.730 176.000 0.067 0.000 0.919 343 Q CA -1.920 53.896 55.803 0.023 0.000 0.908 343 Q CB 1.208 29.954 28.738 0.013 0.000 1.245 343 Q HN 0.179 nan 8.270 nan 0.000 0.437 344 P HA -0.139 nan 4.420 nan 0.000 0.263 344 P C -0.255 177.080 177.300 0.058 0.000 1.175 344 P CA 0.202 63.294 63.100 -0.012 0.000 0.761 344 P CB 0.140 31.792 31.700 -0.081 0.000 0.794 345 W N 1.818 123.122 121.300 0.007 0.000 3.013 345 W HA 0.200 4.957 4.660 0.161 0.000 0.280 345 W C -0.819 175.673 176.519 -0.045 0.000 1.249 345 W CA -0.187 57.145 57.345 -0.021 0.000 1.577 345 W CB -0.726 28.719 29.460 -0.024 0.000 1.057 345 W HN 0.030 nan 8.180 nan 0.000 0.613 346 C N 3.016 121.982 119.300 -0.558 0.000 2.452 346 C HA 0.325 4.882 4.460 0.161 0.000 0.379 346 C C 1.756 176.591 174.990 -0.257 0.000 1.275 346 C CA -0.098 58.614 59.018 -0.510 0.000 2.056 346 C CB 1.253 28.516 27.740 -0.795 0.000 2.506 346 C HN 0.235 nan 8.230 nan 0.000 0.560 347 V N 1.238 121.054 119.914 -0.164 0.000 3.368 347 V HA 0.053 4.269 4.120 0.161 0.000 0.255 347 V C 1.656 177.670 176.094 -0.133 0.000 1.466 347 V CA 0.403 62.630 62.300 -0.123 0.000 1.095 347 V CB -0.660 31.128 31.823 -0.057 0.000 0.899 347 V HN 0.897 nan 8.190 nan 0.000 0.440 348 E N 0.890 121.009 120.200 -0.135 0.000 2.276 348 E HA 0.107 4.553 4.350 0.161 0.000 0.193 348 E C 2.059 178.523 176.600 -0.227 0.000 0.983 348 E CA 0.561 56.877 56.400 -0.140 0.000 0.861 348 E CB -0.042 29.608 29.700 -0.083 0.000 0.817 348 E HN 0.495 nan 8.360 nan 0.000 0.485 349 I N 2.078 122.456 120.570 -0.320 0.000 2.127 349 I HA -0.197 4.069 4.170 0.161 0.000 0.241 349 I C -0.524 175.256 176.117 -0.561 0.000 1.075 349 I CA 1.353 62.330 61.300 -0.539 0.000 1.334 349 I CB -1.035 36.543 38.000 -0.703 0.000 1.040 349 I HN 0.072 nan 8.210 nan 0.000 0.405 350 P HA -0.194 nan 4.420 nan 0.000 0.216 350 P C 1.473 178.611 177.300 -0.269 0.000 1.154 350 P CA 1.574 64.473 63.100 -0.335 0.000 0.865 350 P CB -0.033 31.523 31.700 -0.240 0.000 0.789 351 R N -0.615 119.754 120.500 -0.219 0.000 2.103 351 R HA -0.124 4.313 4.340 0.161 0.000 0.234 351 R C 2.396 178.596 176.300 -0.168 0.000 1.132 351 R CA 1.505 57.510 56.100 -0.157 0.000 0.925 351 R CB -1.505 28.724 30.300 -0.119 0.000 0.842 351 R HN 0.136 nan 8.270 nan 0.000 0.430 352 L N -0.183 120.913 121.223 -0.210 0.000 2.051 352 L HA -0.287 4.149 4.340 0.161 0.000 0.214 352 L C 2.523 179.268 176.870 -0.209 0.000 1.076 352 L CA 1.536 56.266 54.840 -0.183 0.000 0.758 352 L CB -0.642 41.301 42.059 -0.193 0.000 0.890 352 L HN 0.362 nan 8.230 nan 0.000 0.433 353 A N -0.348 122.215 122.820 -0.428 0.000 1.845 353 A HA -0.277 4.140 4.320 0.161 0.000 0.215 353 A C 2.273 179.820 177.584 -0.061 0.000 1.195 353 A CA 1.863 53.736 52.037 -0.274 0.000 0.616 353 A CB -0.704 18.077 19.000 -0.365 0.000 0.832 353 A HN 0.451 nan 8.150 nan 0.000 0.443 354 E N -0.486 119.654 120.200 -0.100 0.000 2.114 354 E HA -0.314 4.132 4.350 0.161 0.000 0.199 354 E C 2.197 178.780 176.600 -0.029 0.000 1.008 354 E CA 1.806 58.173 56.400 -0.054 0.000 0.810 354 E CB -0.155 29.504 29.700 -0.069 0.000 0.739 354 E HN 0.768 nan 8.360 nan 0.000 0.456 355 Q N -0.502 119.278 119.800 -0.034 0.000 2.119 355 Q HA -0.117 4.319 4.340 0.161 0.000 0.201 355 Q C 2.070 178.078 176.000 0.012 0.000 0.972 355 Q CA 1.339 57.134 55.803 -0.013 0.000 0.847 355 Q CB -0.066 28.664 28.738 -0.014 0.000 0.903 355 Q HN 0.323 nan 8.270 nan 0.000 0.433 356 A N 0.466 123.312 122.820 0.043 0.000 1.898 356 A HA -0.184 4.232 4.320 0.161 0.000 0.216 356 A C 2.006 179.619 177.584 0.048 0.000 1.181 356 A CA 1.366 53.447 52.037 0.074 0.000 0.620 356 A CB -0.432 18.671 19.000 0.172 0.000 0.819 356 A HN 0.352 nan 8.150 nan 0.000 0.442 357 M N -0.122 119.511 119.600 0.054 0.000 2.149 357 M HA -0.185 4.392 4.480 0.161 0.000 0.261 357 M C 2.007 178.307 176.300 -0.000 0.000 1.064 357 M CA 1.893 57.217 55.300 0.040 0.000 1.102 357 M CB -0.663 31.969 32.600 0.052 0.000 1.369 357 M HN 0.506 nan 8.290 nan 0.000 0.408 358 Q N -0.638 119.159 119.800 -0.005 0.000 2.084 358 Q HA -0.074 4.363 4.340 0.161 0.000 0.202 358 Q C 2.129 178.106 176.000 -0.038 0.000 0.978 358 Q CA 1.901 57.691 55.803 -0.021 0.000 0.844 358 Q CB -0.422 28.306 28.738 -0.017 0.000 0.898 358 Q HN 0.701 nan 8.270 nan 0.000 0.426 359 A N 0.062 122.864 122.820 -0.029 0.000 1.917 359 A HA -0.192 4.224 4.320 0.161 0.000 0.219 359 A C 2.275 179.813 177.584 -0.077 0.000 1.182 359 A CA 1.689 53.704 52.037 -0.036 0.000 0.633 359 A CB -0.787 18.204 19.000 -0.015 0.000 0.819 359 A HN 0.245 nan 8.150 nan 0.000 0.448 360 V N 0.439 120.286 119.914 -0.111 0.000 2.358 360 V HA -0.245 3.971 4.120 0.161 0.000 0.246 360 V C 2.507 178.365 176.094 -0.394 0.000 1.047 360 V CA 1.932 64.096 62.300 -0.227 0.000 1.035 360 V CB -0.888 30.809 31.823 -0.210 0.000 0.658 360 V HN 0.789 nan 8.190 nan 0.000 0.452 361 I N 0.213 120.593 120.570 -0.316 0.000 2.546 361 I HA 0.008 4.274 4.170 0.161 0.000 0.255 361 I C 2.288 178.309 176.117 -0.160 0.000 1.163 361 I CA 1.723 62.853 61.300 -0.282 0.000 1.457 361 I CB -0.552 37.405 38.000 -0.072 0.000 1.092 361 I HN 0.078 nan 8.210 nan 0.000 0.434 362 A N 1.319 124.072 122.820 -0.113 0.000 2.070 362 A HA -0.053 4.364 4.320 0.161 0.000 0.220 362 A C 2.130 179.678 177.584 -0.059 0.000 1.159 362 A CA 1.100 53.097 52.037 -0.066 0.000 0.656 362 A CB -0.490 18.483 19.000 -0.045 0.000 0.800 362 A HN 0.484 nan 8.150 nan 0.000 0.453 363 R N -0.478 119.967 120.500 -0.092 0.000 2.427 363 R HA 0.064 4.500 4.340 0.161 0.000 0.262 363 R C 1.604 177.878 176.300 -0.044 0.000 0.943 363 R CA 0.541 56.608 56.100 -0.056 0.000 1.081 363 R CB -0.112 30.153 30.300 -0.058 0.000 1.166 363 R HN 0.815 nan 8.270 nan 0.000 0.534 364 R N 0.183 120.634 120.500 -0.081 0.000 2.236 364 R HA 0.005 4.442 4.340 0.161 0.000 0.208 364 R C 0.274 176.590 176.300 0.026 0.000 1.036 364 R CA 0.926 56.992 56.100 -0.057 0.000 1.001 364 R CB 0.087 30.332 30.300 -0.091 0.000 0.896 364 R HN -0.064 nan 8.270 nan 0.000 0.464 365 D N 1.762 122.205 120.400 0.071 0.000 2.277 365 D HA 0.025 4.761 4.640 0.161 0.000 0.208 365 D C 0.436 176.987 176.300 0.420 0.000 0.962 365 D CA 0.847 54.945 54.000 0.162 0.000 0.865 365 D CB 0.099 40.966 40.800 0.110 0.000 0.939 365 D HN 0.381 nan 8.370 nan 0.000 0.510 366 A N 0.684 123.711 122.820 0.345 0.000 2.477 366 A HA 0.058 4.475 4.320 0.161 0.000 0.246 366 A C -0.081 177.816 177.584 0.521 0.000 1.078 366 A CA -0.275 51.971 52.037 0.350 0.000 0.770 366 A CB -0.169 18.955 19.000 0.207 0.000 1.011 366 A HN 0.066 nan 8.150 nan 0.000 0.494 367 F N 3.335 123.393 119.950 0.181 0.000 2.625 367 F HA 0.377 5.001 4.527 0.162 0.000 0.373 367 F C 1.038 176.789 175.800 -0.080 0.000 1.158 367 F CA 0.271 58.182 58.000 -0.148 0.000 1.354 367 F CB -0.583 38.207 39.000 -0.350 0.000 1.692 367 F HN 0.584 nan 8.300 nan 0.000 0.634 368 G N 0.811 109.581 108.800 -0.050 0.000 2.820 368 G HA2 0.264 4.321 3.960 0.161 0.000 0.291 368 G HA3 0.264 4.321 3.960 0.161 0.000 0.291 368 G C 0.471 175.315 174.900 -0.092 0.000 1.323 368 G CA -0.288 44.762 45.100 -0.083 0.000 1.055 368 G HN 0.413 nan 8.290 nan 0.000 0.520 369 E N -0.894 119.275 120.200 -0.051 0.000 2.152 369 E HA 0.050 4.497 4.350 0.161 0.000 0.192 369 E C 2.236 178.861 176.600 0.042 0.000 0.983 369 E CA 1.050 57.437 56.400 -0.021 0.000 0.818 369 E CB -0.065 29.623 29.700 -0.020 0.000 0.758 369 E HN 0.351 nan 8.360 nan 0.000 0.467 370 A N 1.438 124.291 122.820 0.055 0.000 1.873 370 A HA -0.210 4.207 4.320 0.161 0.000 0.215 370 A C 2.183 179.848 177.584 0.134 0.000 1.186 370 A CA 1.551 53.631 52.037 0.072 0.000 0.616 370 A CB -0.455 18.574 19.000 0.048 0.000 0.823 370 A HN 0.151 nan 8.150 nan 0.000 0.442 371 Q N -0.623 119.283 119.800 0.178 0.000 2.096 371 Q HA -0.168 4.269 4.340 0.161 0.000 0.204 371 Q C 1.989 178.221 176.000 0.387 0.000 0.982 371 Q CA 1.577 57.555 55.803 0.292 0.000 0.850 371 Q CB -0.584 28.420 28.738 0.444 0.000 0.901 371 Q HN 0.604 nan 8.270 nan 0.000 0.422 372 L N 0.231 121.691 121.223 0.396 0.000 1.989 372 L HA -0.160 4.276 4.340 0.161 0.000 0.211 372 L C 2.033 179.042 176.870 0.231 0.000 1.071 372 L CA 2.281 57.356 54.840 0.391 0.000 0.749 372 L CB -1.130 41.024 42.059 0.158 0.000 0.890 372 L HN 0.193 nan 8.230 nan 0.000 0.431 373 A N -1.203 121.706 122.820 0.148 0.000 1.883 373 A HA -0.354 4.062 4.320 0.161 0.000 0.217 373 A C 2.307 179.939 177.584 0.081 0.000 1.186 373 A CA 2.033 54.126 52.037 0.093 0.000 0.624 373 A CB -1.280 17.759 19.000 0.065 0.000 0.822 373 A HN 0.787 nan 8.150 nan 0.000 0.444 374 H N -0.084 119.001 119.070 0.025 0.000 2.357 374 H HA -0.103 4.550 4.556 0.161 0.000 0.296 374 H C 1.694 176.991 175.328 -0.052 0.000 1.108 374 H CA 2.271 58.309 56.048 -0.017 0.000 1.273 374 H CB -0.102 29.645 29.762 -0.025 0.000 1.367 374 H HN 0.447 nan 8.280 nan 0.000 0.498 375 R N -0.631 119.743 120.500 -0.210 0.000 2.388 375 R HA 0.125 4.562 4.340 0.161 0.000 0.247 375 R C 1.558 177.715 176.300 -0.238 0.000 0.931 375 R CA 0.154 56.040 56.100 -0.356 0.000 1.082 375 R CB 0.151 30.259 30.300 -0.320 0.000 1.135 375 R HN 0.266 nan 8.270 nan 0.000 0.525 376 I N 1.070 121.589 120.570 -0.085 0.000 2.335 376 I HA -0.271 3.995 4.170 0.161 0.000 0.251 376 I C 1.657 177.713 176.117 -0.100 0.000 1.129 376 I CA 0.939 62.264 61.300 0.042 0.000 1.402 376 I CB -0.134 37.896 38.000 0.050 0.000 1.069 376 I HN 0.335 nan 8.210 nan 0.000 0.424 377 C N -1.263 117.899 119.300 -0.231 0.000 2.576 377 C HA 0.191 4.748 4.460 0.161 0.000 0.267 377 C C 1.772 176.562 174.990 -0.334 0.000 1.364 377 C CA -0.500 58.351 59.018 -0.278 0.000 1.723 377 C CB -1.587 25.990 27.740 -0.271 0.000 1.778 377 C HN 0.338 nan 8.230 nan 0.000 0.572 378 D N 0.233 120.346 120.400 -0.479 0.000 2.347 378 D HA -0.007 4.730 4.640 0.161 0.000 0.215 378 D C 1.029 176.937 176.300 -0.654 0.000 0.976 378 D CA 1.164 54.788 54.000 -0.627 0.000 0.884 378 D CB -0.126 40.142 40.800 -0.886 0.000 0.915 378 D HN 0.643 nan 8.370 nan 0.000 0.526 379 Y N -0.292 119.857 120.300 -0.252 0.000 2.453 379 Y HA 0.302 4.949 4.550 0.161 0.000 0.247 379 Y C 0.669 176.507 175.900 -0.102 0.000 1.124 379 Y CA -0.561 57.331 58.100 -0.347 0.000 1.243 379 Y CB 0.153 38.254 38.460 -0.599 0.000 1.213 379 Y HN -0.195 nan 8.280 nan 0.000 0.523 380 L N 5.070 126.273 121.223 -0.033 0.000 2.562 380 L HA 0.099 4.536 4.340 0.161 0.000 0.271 380 L C -2.005 174.824 176.870 -0.068 0.000 1.167 380 L CA -1.575 53.209 54.840 -0.092 0.000 0.917 380 L CB 0.130 41.849 42.059 -0.567 0.000 1.187 380 L HN -0.097 nan 8.230 nan 0.000 0.482 381 P HA -0.026 nan 4.420 nan 0.000 0.267 381 P C -0.477 176.699 177.300 -0.207 0.000 1.205 381 P CA -0.120 62.619 63.100 -0.602 0.000 0.765 381 P CB 0.599 31.609 31.700 -1.150 0.000 0.828 382 E N 3.450 123.524 120.200 -0.211 0.000 2.299 382 E HA -0.038 4.408 4.350 0.161 0.000 0.272 382 E C 0.115 176.674 176.600 -0.068 0.000 1.043 382 E CA -0.108 56.258 56.400 -0.056 0.000 0.895 382 E CB 0.078 29.729 29.700 -0.082 0.000 1.011 382 E HN 0.282 nan 8.360 nan 0.000 0.432 383 Q N 0.779 120.557 119.800 -0.037 0.000 2.424 383 Q HA -0.169 4.267 4.340 0.161 0.000 0.234 383 Q C 0.159 176.077 176.000 -0.137 0.000 0.748 383 Q CA 1.160 56.902 55.803 -0.101 0.000 1.286 383 Q CB -2.148 26.547 28.738 -0.071 0.000 1.494 383 Q HN 0.720 nan 8.270 nan 0.000 0.683 384 G N 0.454 109.182 108.800 -0.120 0.000 2.641 384 G HA2 0.565 4.622 3.960 0.161 0.000 0.239 384 G HA3 0.565 4.622 3.960 0.161 0.000 0.239 384 G C -0.029 174.780 174.900 -0.151 0.000 1.402 384 G CA 0.224 45.282 45.100 -0.070 0.000 1.046 384 G HN 0.196 nan 8.290 nan 0.000 0.565 385 Q N -1.755 118.116 119.800 0.118 0.000 2.462 385 Q HA 0.601 5.038 4.340 0.161 0.000 0.285 385 Q C -2.104 174.157 176.000 0.435 0.000 1.035 385 Q CA -0.971 54.981 55.803 0.249 0.000 0.799 385 Q CB 2.227 31.149 28.738 0.308 0.000 1.452 385 Q HN 0.494 nan 8.270 nan 0.000 0.404 386 L N 1.897 123.396 121.223 0.461 0.000 2.305 386 L HA 0.555 4.992 4.340 0.161 0.000 0.284 386 L C -1.804 175.267 176.870 0.335 0.000 1.013 386 L CA -0.545 54.506 54.840 0.352 0.000 0.819 386 L CB 1.271 43.472 42.059 0.236 0.000 1.227 386 L HN 0.700 nan 8.230 nan 0.000 0.417 387 F N 6.090 126.163 119.950 0.205 0.000 2.371 387 F HA 0.560 5.182 4.527 0.158 0.000 0.363 387 F C -0.425 175.435 175.800 0.099 0.000 1.122 387 F CA -0.498 57.595 58.000 0.156 0.000 1.129 387 F CB 0.978 40.041 39.000 0.105 0.000 1.173 387 F HN 0.275 nan 8.300 nan 0.000 0.489 388 V N 6.332 126.018 119.914 -0.380 0.000 2.465 388 V HA 0.505 4.722 4.120 0.161 0.000 0.279 388 V C 0.964 176.890 176.094 -0.280 0.000 1.045 388 V CA -0.550 61.617 62.300 -0.222 0.000 0.938 388 V CB 0.634 32.347 31.823 -0.184 0.000 0.986 388 V HN 0.886 nan 8.190 nan 0.000 0.467 389 G N 3.603 112.372 108.800 -0.052 0.000 2.583 389 G HA2 0.163 4.219 3.960 0.161 0.000 0.275 389 G HA3 0.163 4.219 3.960 0.161 0.000 0.275 389 G C 0.036 174.909 174.900 -0.046 0.000 1.342 389 G CA -0.432 44.672 45.100 0.007 0.000 1.030 389 G HN 0.663 nan 8.290 nan 0.000 0.520 390 N N -1.543 117.145 118.700 -0.020 0.000 2.681 390 N HA 0.457 5.294 4.740 0.161 0.000 0.311 390 N C 0.773 176.258 175.510 -0.042 0.000 1.303 390 N CA 0.178 53.205 53.050 -0.038 0.000 0.926 390 N CB 1.118 39.587 38.487 -0.031 0.000 1.136 390 N HN 0.683 nan 8.380 nan 0.000 0.592 391 S N -0.867 114.798 115.700 -0.059 0.000 3.583 391 S HA -0.233 4.333 4.470 0.161 0.000 0.629 391 S C 1.482 176.035 174.600 -0.078 0.000 2.549 391 S CA 0.795 58.943 58.200 -0.088 0.000 3.665 391 S CB -1.333 61.817 63.200 -0.084 0.000 0.265 391 S HN 0.482 nan 8.310 nan 0.000 1.206 392 L N 0.899 122.076 121.223 -0.078 0.000 2.189 392 L HA -0.108 4.329 4.340 0.161 0.000 0.214 392 L C 2.492 179.338 176.870 -0.039 0.000 1.097 392 L CA 1.884 56.689 54.840 -0.058 0.000 0.764 392 L CB -0.616 41.416 42.059 -0.045 0.000 0.900 392 L HN 0.567 nan 8.230 nan 0.000 0.436 393 V N -0.719 119.176 119.914 -0.032 0.000 2.244 393 V HA -0.232 3.984 4.120 0.161 0.000 0.244 393 V C 2.358 178.435 176.094 -0.028 0.000 1.042 393 V CA 1.924 64.213 62.300 -0.019 0.000 1.006 393 V CB 0.222 32.039 31.823 -0.009 0.000 0.641 393 V HN 0.244 nan 8.190 nan 0.000 0.446 394 V N 0.557 120.444 119.914 -0.044 0.000 2.453 394 V HA -0.291 3.926 4.120 0.161 0.000 0.252 394 V C 2.693 178.758 176.094 -0.049 0.000 1.068 394 V CA 2.764 65.030 62.300 -0.056 0.000 1.070 394 V CB -0.649 31.129 31.823 -0.075 0.000 0.664 394 V HN 0.633 nan 8.190 nan 0.000 0.461 395 R N -0.927 119.545 120.500 -0.048 0.000 2.115 395 R HA 0.059 4.495 4.340 0.161 0.000 0.226 395 R C 2.229 178.507 176.300 -0.038 0.000 1.100 395 R CA 1.331 57.402 56.100 -0.048 0.000 0.980 395 R CB -0.233 30.035 30.300 -0.052 0.000 0.875 395 R HN 0.454 nan 8.270 nan 0.000 0.445 396 L N 0.170 121.378 121.223 -0.026 0.000 2.044 396 L HA -0.118 4.318 4.340 0.161 0.000 0.205 396 L C 2.251 179.121 176.870 -0.001 0.000 1.075 396 L CA 1.236 56.071 54.840 -0.009 0.000 0.747 396 L CB -0.269 41.794 42.059 0.005 0.000 0.903 396 L HN 0.159 nan 8.230 nan 0.000 0.435 397 I N -0.037 120.530 120.570 -0.005 0.000 2.286 397 I HA -0.308 3.958 4.170 0.161 0.000 0.248 397 I C 2.175 178.281 176.117 -0.019 0.000 1.115 397 I CA 1.310 62.606 61.300 -0.006 0.000 1.392 397 I CB -0.272 37.721 38.000 -0.013 0.000 1.065 397 I HN 0.330 nan 8.210 nan 0.000 0.418 398 D N 1.223 121.603 120.400 -0.033 0.000 2.088 398 D HA -0.233 4.504 4.640 0.161 0.000 0.191 398 D C 2.207 178.479 176.300 -0.048 0.000 0.992 398 D CA 2.005 55.977 54.000 -0.046 0.000 0.831 398 D CB -0.076 40.690 40.800 -0.058 0.000 0.973 398 D HN 0.257 nan 8.370 nan 0.000 0.447 399 A N -0.463 122.328 122.820 -0.048 0.000 1.948 399 A HA -0.093 4.323 4.320 0.161 0.000 0.220 399 A C 2.283 179.858 177.584 -0.014 0.000 1.177 399 A CA 1.729 53.736 52.037 -0.051 0.000 0.636 399 A CB -0.475 18.497 19.000 -0.046 0.000 0.815 399 A HN 0.451 nan 8.150 nan 0.000 0.449 400 L N -2.562 118.672 121.223 0.020 0.000 2.878 400 L HA 0.241 4.678 4.340 0.161 0.000 0.253 400 L C 0.737 177.696 176.870 0.149 0.000 1.135 400 L CA 0.055 54.943 54.840 0.081 0.000 0.943 400 L CB 0.478 42.591 42.059 0.091 0.000 1.307 400 L HN 0.244 nan 8.230 nan 0.000 0.545 401 S N 0.164 115.895 115.700 0.052 0.000 2.536 401 S HA 0.405 4.971 4.470 0.161 0.000 0.298 401 S C -0.892 173.689 174.600 -0.032 0.000 1.083 401 S CA -0.367 57.821 58.200 -0.019 0.000 0.995 401 S CB 2.001 65.166 63.200 -0.058 0.000 1.058 401 S HN 0.159 nan 8.310 nan 0.000 0.488 402 Q N 3.890 123.649 119.800 -0.067 0.000 2.368 402 Q HA 0.478 4.915 4.340 0.161 0.000 0.263 402 Q C -1.235 174.715 176.000 -0.084 0.000 1.009 402 Q CA -0.510 55.262 55.803 -0.052 0.000 0.818 402 Q CB 0.885 29.602 28.738 -0.035 0.000 1.239 402 Q HN 0.666 nan 8.270 nan 0.000 0.464 403 L N 4.904 126.087 121.223 -0.067 0.000 2.379 403 L HA 0.526 4.963 4.340 0.161 0.000 0.269 403 L C -2.096 174.740 176.870 -0.056 0.000 1.084 403 L CA -2.145 52.645 54.840 -0.085 0.000 0.802 403 L CB 0.993 43.013 42.059 -0.064 0.000 1.175 403 L HN 0.459 nan 8.230 nan 0.000 0.448 404 P HA 0.091 nan 4.420 nan 0.000 0.271 404 P C -0.718 176.606 177.300 0.040 0.000 1.218 404 P CA -0.307 62.791 63.100 -0.003 0.000 0.780 404 P CB 0.763 32.472 31.700 0.015 0.000 0.901 405 A N 2.870 125.707 122.820 0.028 0.000 2.565 405 A HA 0.376 4.792 4.320 0.161 0.000 0.237 405 A C 1.572 179.183 177.584 0.045 0.000 1.053 405 A CA 0.815 52.870 52.037 0.030 0.000 0.755 405 A CB -1.421 17.592 19.000 0.022 0.000 0.980 405 A HN 0.889 nan 8.150 nan 0.000 0.506 406 G N 0.331 109.149 108.800 0.030 0.000 2.168 406 G HA2 -0.302 3.754 3.960 0.161 0.000 0.263 406 G HA3 -0.302 3.754 3.960 0.161 0.000 0.263 406 G C 0.102 175.006 174.900 0.007 0.000 0.977 406 G CA 0.872 45.978 45.100 0.009 0.000 0.659 406 G HN 1.308 nan 8.290 nan 0.000 0.533 407 Y N 2.285 122.557 120.300 -0.047 0.000 2.359 407 Y HA 0.514 5.160 4.550 0.160 0.000 0.334 407 Y C -1.950 173.905 175.900 -0.076 0.000 1.058 407 Y CA -2.184 55.888 58.100 -0.047 0.000 1.244 407 Y CB 1.406 39.841 38.460 -0.042 0.000 1.187 407 Y HN 0.049 nan 8.280 nan 0.000 0.510 408 P HA 0.179 nan 4.420 nan 0.000 0.281 408 P C -1.290 175.916 177.300 -0.157 0.000 1.252 408 P CA 0.011 62.978 63.100 -0.222 0.000 0.778 408 P CB 1.200 32.775 31.700 -0.208 0.000 0.895 409 V N 4.851 124.554 119.914 -0.352 0.000 2.680 409 V HA 0.488 4.704 4.120 0.161 0.000 0.309 409 V C -0.679 175.117 176.094 -0.498 0.000 1.052 409 V CA -0.452 61.712 62.300 -0.227 0.000 0.908 409 V CB 1.392 33.149 31.823 -0.110 0.000 1.001 409 V HN 0.418 nan 8.190 nan 0.000 0.431 410 Y N 1.381 121.662 120.300 -0.032 0.000 2.576 410 Y HA 0.820 5.466 4.550 0.161 0.000 0.346 410 Y C 0.234 175.855 175.900 -0.464 0.000 1.018 410 Y CA -0.513 57.548 58.100 -0.065 0.000 1.050 410 Y CB 2.520 41.084 38.460 0.174 0.000 1.280 410 Y HN 0.794 nan 8.280 nan 0.000 0.474 411 S N 0.462 115.982 115.700 -0.300 0.000 2.683 411 S HA 0.316 4.882 4.470 0.161 0.000 0.278 411 S C -2.124 172.382 174.600 -0.158 0.000 1.059 411 S CA -1.209 56.604 58.200 -0.645 0.000 0.847 411 S CB 0.817 63.745 63.200 -0.454 0.000 1.078 411 S HN 0.511 nan 8.310 nan 0.000 0.456 412 N N 1.270 119.926 118.700 -0.073 0.000 3.234 412 N HA 0.376 5.213 4.740 0.161 0.000 0.272 412 N C 0.106 175.616 175.510 0.000 0.000 1.254 412 N CA -0.448 52.637 53.050 0.058 0.000 1.087 412 N CB 0.386 38.964 38.487 0.151 0.000 1.356 412 N HN 0.384 nan 8.380 nan 0.000 0.511 413 R N -0.237 120.251 120.500 -0.020 0.000 2.432 413 R HA 0.232 4.669 4.340 0.161 0.000 0.260 413 R C 1.573 177.866 176.300 -0.011 0.000 0.935 413 R CA -0.150 55.932 56.100 -0.029 0.000 1.080 413 R CB 0.080 30.350 30.300 -0.049 0.000 1.155 413 R HN 0.376 nan 8.270 nan 0.000 0.531 414 G N 0.546 109.347 108.800 0.002 0.000 2.434 414 G HA2 -0.174 3.882 3.960 0.161 0.000 0.214 414 G HA3 -0.174 3.882 3.960 0.161 0.000 0.214 414 G C 1.100 176.004 174.900 0.007 0.000 1.202 414 G CA 0.901 46.006 45.100 0.007 0.000 0.788 414 G HN 0.353 nan 8.290 nan 0.000 0.539 415 A N -1.253 121.571 122.820 0.007 0.000 2.382 415 A HA 0.541 4.958 4.320 0.161 0.000 0.228 415 A C 1.366 178.949 177.584 -0.002 0.000 1.217 415 A CA 1.158 53.196 52.037 0.002 0.000 0.923 415 A CB 0.210 19.206 19.000 -0.005 0.000 0.979 415 A HN 0.705 nan 8.150 nan 0.000 0.515 416 S N -0.417 115.281 115.700 -0.003 0.000 3.641 416 S HA -0.147 4.420 4.470 0.161 0.000 0.346 416 S C 0.797 175.387 174.600 -0.017 0.000 1.074 416 S CA 0.397 58.591 58.200 -0.011 0.000 1.026 416 S CB -1.795 61.395 63.200 -0.016 0.000 0.908 416 S HN 1.438 nan 8.310 nan 0.000 0.479 417 G N 0.670 109.455 108.800 -0.024 0.000 2.398 417 G HA2 0.425 4.481 3.960 0.161 0.000 0.246 417 G HA3 0.425 4.481 3.960 0.161 0.000 0.246 417 G C 0.839 175.670 174.900 -0.115 0.000 1.289 417 G CA -0.322 44.735 45.100 -0.072 0.000 0.869 417 G HN 0.791 nan 8.290 nan 0.000 0.543 418 I N -0.170 120.316 120.570 -0.141 0.000 3.749 418 I HA 0.140 4.406 4.170 0.161 0.000 0.314 418 I C 1.170 177.035 176.117 -0.420 0.000 1.267 418 I CA 0.181 61.397 61.300 -0.141 0.000 1.169 418 I CB 0.127 38.148 38.000 0.036 0.000 1.009 418 I HN 0.468 nan 8.210 nan 0.000 0.444 419 D N 1.244 121.219 120.400 -0.709 0.000 2.277 419 D HA -0.000 4.736 4.640 0.161 0.000 0.209 419 D C 1.733 177.591 176.300 -0.736 0.000 0.970 419 D CA 0.863 54.180 54.000 -1.138 0.000 0.874 419 D CB -0.093 40.090 40.800 -1.028 0.000 0.982 419 D HN 0.396 nan 8.370 nan 0.000 0.504 420 G N 0.595 108.890 108.800 -0.841 0.000 3.502 420 G HA2 0.266 4.323 3.960 0.161 0.000 0.267 420 G HA3 0.266 4.323 3.960 0.161 0.000 0.267 420 G C 1.467 176.091 174.900 -0.460 0.000 1.090 420 G CA -0.284 44.105 45.100 -1.183 0.000 0.795 420 G HN 0.128 nan 8.290 nan 0.000 0.535 421 L N -0.073 120.996 121.223 -0.258 0.000 2.044 421 L HA 0.040 4.476 4.340 0.161 0.000 0.205 421 L C 2.751 179.494 176.870 -0.212 0.000 1.075 421 L CA 0.634 55.412 54.840 -0.103 0.000 0.747 421 L CB -0.341 41.742 42.059 0.040 0.000 0.903 421 L HN 0.153 nan 8.230 nan 0.000 0.435 422 L N -0.096 121.017 121.223 -0.184 0.000 2.013 422 L HA -0.232 4.205 4.340 0.161 0.000 0.212 422 L C 2.802 179.506 176.870 -0.276 0.000 1.073 422 L CA 2.150 56.863 54.840 -0.211 0.000 0.753 422 L CB -0.929 41.029 42.059 -0.167 0.000 0.890 422 L HN 0.447 nan 8.230 nan 0.000 0.432 423 S N -2.005 113.538 115.700 -0.261 0.000 2.414 423 S HA -0.099 4.467 4.470 0.161 0.000 0.227 423 S C 1.869 176.299 174.600 -0.283 0.000 1.022 423 S CA 1.210 59.249 58.200 -0.268 0.000 0.958 423 S CB -0.500 62.573 63.200 -0.212 0.000 0.797 423 S HN 0.348 nan 8.310 nan 0.000 0.493 424 T N 2.962 117.336 114.554 -0.299 0.000 2.777 424 T HA 0.070 4.517 4.350 0.161 0.000 0.266 424 T C 2.259 176.563 174.700 -0.659 0.000 1.040 424 T CA 1.295 63.179 62.100 -0.359 0.000 1.141 424 T CB -0.761 67.972 68.868 -0.226 0.000 0.868 424 T HN 0.576 nan 8.240 nan 0.000 0.444 425 A N 1.673 123.932 122.820 -0.935 0.000 1.917 425 A HA 0.026 4.442 4.320 0.161 0.000 0.219 425 A C 2.656 179.972 177.584 -0.446 0.000 1.182 425 A CA 2.040 53.547 52.037 -0.882 0.000 0.633 425 A CB -1.203 17.420 19.000 -0.628 0.000 0.819 425 A HN 0.523 nan 8.150 nan 0.000 0.448 426 A N -0.657 121.947 122.820 -0.361 0.000 1.865 426 A HA 0.071 4.487 4.320 0.161 0.000 0.217 426 A C 2.424 179.842 177.584 -0.277 0.000 1.191 426 A CA 2.078 53.953 52.037 -0.271 0.000 0.623 426 A CB -1.393 17.445 19.000 -0.270 0.000 0.826 426 A HN 0.822 nan 8.150 nan 0.000 0.444 427 G N -1.231 107.375 108.800 -0.324 0.000 2.511 427 G HA2 0.066 4.123 3.960 0.161 0.000 0.217 427 G HA3 0.066 4.123 3.960 0.161 0.000 0.217 427 G C 1.429 176.128 174.900 -0.334 0.000 1.133 427 G CA 0.948 45.837 45.100 -0.352 0.000 0.792 427 G HN 0.296 nan 8.290 nan 0.000 0.539 428 V N 0.342 120.060 119.914 -0.326 0.000 2.270 428 V HA -0.190 4.027 4.120 0.161 0.000 0.245 428 V C 2.878 178.814 176.094 -0.263 0.000 1.043 428 V CA 2.058 64.156 62.300 -0.336 0.000 1.014 428 V CB -0.173 31.459 31.823 -0.319 0.000 0.645 428 V HN 0.348 nan 8.190 nan 0.000 0.447 429 Q N 0.312 119.994 119.800 -0.197 0.000 2.124 429 Q HA -0.207 4.229 4.340 0.161 0.000 0.202 429 Q C 2.374 178.317 176.000 -0.095 0.000 0.977 429 Q CA 1.801 57.541 55.803 -0.106 0.000 0.850 429 Q CB -0.174 28.522 28.738 -0.070 0.000 0.901 429 Q HN 0.591 nan 8.270 nan 0.000 0.429 430 R N -0.501 119.919 120.500 -0.132 0.000 2.073 430 R HA 0.029 4.465 4.340 0.161 0.000 0.229 430 R C 2.365 178.615 176.300 -0.083 0.000 1.120 430 R CA 0.936 56.987 56.100 -0.081 0.000 0.967 430 R CB -0.373 29.870 30.300 -0.095 0.000 0.862 430 R HN 0.241 nan 8.270 nan 0.000 0.436 431 A N 1.203 123.910 122.820 -0.188 0.000 1.908 431 A HA -0.192 4.225 4.320 0.161 0.000 0.218 431 A C 2.180 179.731 177.584 -0.055 0.000 1.181 431 A CA 2.141 54.079 52.037 -0.166 0.000 0.627 431 A CB -0.390 18.464 19.000 -0.244 0.000 0.818 431 A HN 0.429 nan 8.150 nan 0.000 0.445 432 S N -2.791 112.861 115.700 -0.080 0.000 2.517 432 S HA 0.394 4.961 4.470 0.161 0.000 0.214 432 S C 1.460 176.054 174.600 -0.010 0.000 0.991 432 S CA 1.155 59.333 58.200 -0.038 0.000 0.906 432 S CB 0.022 63.190 63.200 -0.054 0.000 0.789 432 S HN 1.969 nan 8.310 nan 0.000 0.513 433 G N 1.126 109.923 108.800 -0.005 0.000 2.162 433 G HA2 -0.261 3.795 3.960 0.161 0.000 0.260 433 G HA3 -0.261 3.795 3.960 0.161 0.000 0.260 433 G C -0.072 174.837 174.900 0.014 0.000 0.976 433 G CA 0.484 45.592 45.100 0.013 0.000 0.655 433 G HN 0.605 nan 8.290 nan 0.000 0.533 434 K N 1.235 121.639 120.400 0.007 0.000 2.123 434 K HA 0.492 4.909 4.320 0.161 0.000 0.259 434 K C -2.329 174.294 176.600 0.038 0.000 0.960 434 K CA -2.108 54.184 56.287 0.009 0.000 0.872 434 K CB 1.810 34.308 32.500 -0.004 0.000 1.079 434 K HN -0.009 nan 8.250 nan 0.000 0.440 435 P HA -0.010 nan 4.420 nan 0.000 0.265 435 P C -0.886 176.488 177.300 0.123 0.000 1.193 435 P CA 0.010 63.159 63.100 0.082 0.000 0.765 435 P CB 0.578 32.241 31.700 -0.062 0.000 0.823 436 T N 3.482 118.196 114.554 0.266 0.000 2.861 436 T HA 0.431 4.877 4.350 0.161 0.000 0.287 436 T C -0.610 174.353 174.700 0.439 0.000 1.003 436 T CA -0.455 61.817 62.100 0.287 0.000 0.977 436 T CB 1.069 70.046 68.868 0.182 0.000 0.996 436 T HN 0.202 nan 8.240 nan 0.000 0.448 437 L N 3.321 124.809 121.223 0.441 0.000 2.287 437 L HA 0.856 5.292 4.340 0.161 0.000 0.287 437 L C -0.631 176.429 176.870 0.316 0.000 1.022 437 L CA -0.835 54.272 54.840 0.444 0.000 0.814 437 L CB 0.478 42.868 42.059 0.551 0.000 1.217 437 L HN 0.795 nan 8.230 nan 0.000 0.420 438 A N 6.445 129.405 122.820 0.234 0.000 2.343 438 A HA 0.833 5.249 4.320 0.161 0.000 0.316 438 A C -0.900 176.770 177.584 0.143 0.000 1.104 438 A CA -0.459 51.712 52.037 0.222 0.000 0.768 438 A CB 0.643 19.738 19.000 0.159 0.000 1.213 438 A HN 0.679 nan 8.150 nan 0.000 0.456 439 I N 2.070 122.727 120.570 0.144 0.000 2.474 439 I HA 0.682 4.949 4.170 0.161 0.000 0.294 439 I C -0.560 175.596 176.117 0.064 0.000 1.005 439 I CA -0.843 60.504 61.300 0.078 0.000 1.113 439 I CB 1.999 40.042 38.000 0.071 0.000 1.289 439 I HN 0.349 nan 8.210 nan 0.000 0.436 440 V N 3.203 123.125 119.914 0.015 0.000 3.178 440 V HA 0.624 4.841 4.120 0.161 0.000 0.302 440 V C 0.266 176.348 176.094 -0.021 0.000 1.262 440 V CA -0.659 61.644 62.300 0.004 0.000 1.030 440 V CB 2.292 34.113 31.823 -0.003 0.000 1.074 440 V HN 0.886 nan 8.190 nan 0.000 0.438 441 G N 0.594 109.394 108.800 0.000 0.000 2.616 441 G HA2 0.299 4.355 3.960 0.161 0.000 0.268 441 G HA3 0.299 4.355 3.960 0.161 0.000 0.268 441 G C 0.711 175.634 174.900 0.037 0.000 1.213 441 G CA 0.459 45.571 45.100 0.021 0.000 0.926 441 G HN 0.872 nan 8.290 nan 0.000 0.523 442 D N -0.383 120.085 120.400 0.113 0.000 2.117 442 D HA -0.149 4.587 4.640 0.161 0.000 0.198 442 D C 2.312 178.773 176.300 0.268 0.000 0.982 442 D CA 0.700 54.857 54.000 0.261 0.000 0.828 442 D CB -0.104 40.917 40.800 0.368 0.000 0.967 442 D HN 0.336 nan 8.370 nan 0.000 0.464 443 L N 1.142 122.473 121.223 0.180 0.000 2.141 443 L HA -0.128 4.309 4.340 0.161 0.000 0.209 443 L C 2.685 179.672 176.870 0.195 0.000 1.094 443 L CA 1.143 56.085 54.840 0.171 0.000 0.763 443 L CB -0.380 41.771 42.059 0.153 0.000 0.908 443 L HN 0.040 nan 8.230 nan 0.000 0.437 444 S N 0.172 115.962 115.700 0.151 0.000 2.428 444 S HA -0.055 4.512 4.470 0.161 0.000 0.230 444 S C 2.112 176.771 174.600 0.097 0.000 1.014 444 S CA 0.932 59.210 58.200 0.131 0.000 0.957 444 S CB -0.154 63.079 63.200 0.056 0.000 0.784 444 S HN 0.471 nan 8.310 nan 0.000 0.499 445 A N 1.352 124.197 122.820 0.042 0.000 2.021 445 A HA 0.291 4.708 4.320 0.161 0.000 0.216 445 A C 2.046 179.704 177.584 0.122 0.000 1.163 445 A CA 0.415 52.423 52.037 -0.048 0.000 0.676 445 A CB -0.504 18.254 19.000 -0.404 0.000 0.818 445 A HN 0.418 nan 8.150 nan 0.000 0.453 446 L N -2.098 119.275 121.223 0.250 0.000 2.027 446 L HA -0.179 4.258 4.340 0.161 0.000 0.206 446 L C 2.490 179.464 176.870 0.173 0.000 1.074 446 L CA 1.468 56.456 54.840 0.246 0.000 0.745 446 L CB -0.687 41.490 42.059 0.195 0.000 0.898 446 L HN 0.448 nan 8.230 nan 0.000 0.433 447 Y N 0.843 121.185 120.300 0.071 0.000 2.040 447 Y HA -0.339 4.278 4.550 0.110 0.000 0.275 447 Y C 1.880 177.795 175.900 0.025 0.000 1.171 447 Y CA 2.045 60.169 58.100 0.038 0.000 1.123 447 Y CB -0.194 38.272 38.460 0.010 0.000 0.963 447 Y HN 0.161 nan 8.280 nan 0.000 0.493 448 D N -0.482 120.057 120.400 0.232 0.000 2.722 448 D HA 0.052 4.788 4.640 0.161 0.000 0.239 448 D C 1.441 177.776 176.300 0.058 0.000 1.249 448 D CA -0.031 54.027 54.000 0.096 0.000 0.830 448 D CB -0.418 40.362 40.800 -0.034 0.000 1.025 448 D HN 0.250 nan 8.370 nan 0.000 0.486 449 L N 1.231 122.521 121.223 0.112 0.000 2.079 449 L HA -0.166 4.270 4.340 0.161 0.000 0.210 449 L C 1.614 178.518 176.870 0.056 0.000 1.081 449 L CA 1.735 56.642 54.840 0.112 0.000 0.752 449 L CB -0.687 41.490 42.059 0.196 0.000 0.896 449 L HN 0.185 nan 8.230 nan 0.000 0.433 450 N N 0.121 118.889 118.700 0.114 0.000 2.520 450 N HA -0.097 4.740 4.740 0.161 0.000 0.185 450 N C 1.548 177.055 175.510 -0.005 0.000 1.068 450 N CA 1.175 54.317 53.050 0.152 0.000 0.911 450 N CB -0.738 37.970 38.487 0.368 0.000 0.961 450 N HN 0.369 nan 8.380 nan 0.000 0.446 451 A N 0.630 123.398 122.820 -0.086 0.000 2.172 451 A HA 0.082 4.499 4.320 0.161 0.000 0.216 451 A C 2.093 179.475 177.584 -0.336 0.000 1.154 451 A CA 0.384 52.285 52.037 -0.226 0.000 0.701 451 A CB -0.754 18.120 19.000 -0.210 0.000 0.789 451 A HN 0.363 nan 8.150 nan 0.000 0.465 452 L N -1.096 119.856 121.223 -0.451 0.000 2.351 452 L HA -0.254 4.183 4.340 0.161 0.000 0.220 452 L C 2.909 179.322 176.870 -0.762 0.000 1.127 452 L CA 0.772 55.234 54.840 -0.629 0.000 0.786 452 L CB -0.517 41.160 42.059 -0.636 0.000 0.914 452 L HN 0.504 nan 8.230 nan 0.000 0.443 453 A N 0.353 122.758 122.820 -0.692 0.000 1.854 453 A HA -0.126 4.290 4.320 0.161 0.000 0.214 453 A C 2.191 179.732 177.584 -0.072 0.000 1.192 453 A CA 1.063 52.999 52.037 -0.168 0.000 0.611 453 A CB -0.596 18.560 19.000 0.260 0.000 0.832 453 A HN 0.316 nan 8.150 nan 0.000 0.442 454 L N -0.434 120.666 121.223 -0.205 0.000 2.043 454 L HA -0.195 4.242 4.340 0.161 0.000 0.212 454 L C 2.162 178.949 176.870 -0.139 0.000 1.075 454 L CA 1.035 55.742 54.840 -0.220 0.000 0.752 454 L CB -0.555 41.251 42.059 -0.423 0.000 0.891 454 L HN 0.344 nan 8.230 nan 0.000 0.432 455 L N -0.538 120.590 121.223 -0.158 0.000 2.633 455 L HA -0.116 4.320 4.340 0.161 0.000 0.235 455 L C 2.215 179.063 176.870 -0.036 0.000 1.163 455 L CA 0.415 55.193 54.840 -0.104 0.000 0.859 455 L CB -0.369 41.615 42.059 -0.125 0.000 0.973 455 L HN 0.191 nan 8.230 nan 0.000 0.451 456 R N -0.481 120.018 120.500 -0.002 0.000 2.275 456 R HA 0.035 4.472 4.340 0.161 0.000 0.199 456 R C 0.357 176.683 176.300 0.042 0.000 0.989 456 R CA 0.513 56.642 56.100 0.049 0.000 1.016 456 R CB 0.180 30.541 30.300 0.102 0.000 0.918 456 R HN 0.347 nan 8.270 nan 0.000 0.473 457 Q N 1.089 120.903 119.800 0.023 0.000 2.907 457 Q HA 0.214 4.650 4.340 0.161 0.000 0.262 457 Q C -1.125 174.889 176.000 0.024 0.000 0.997 457 Q CA -0.347 55.477 55.803 0.035 0.000 0.797 457 Q CB 1.732 30.500 28.738 0.050 0.000 1.228 457 Q HN 0.038 nan 8.270 nan 0.000 0.466 458 V N -1.552 118.377 119.914 0.025 0.000 2.919 458 V HA 0.601 4.817 4.120 0.161 0.000 0.316 458 V C 0.799 176.918 176.094 0.041 0.000 1.077 458 V CA -0.602 61.712 62.300 0.024 0.000 0.977 458 V CB 1.919 33.754 31.823 0.019 0.000 1.039 458 V HN 0.502 nan 8.190 nan 0.000 0.441 459 S N 0.246 115.971 115.700 0.042 0.000 2.539 459 S HA 0.775 5.341 4.470 0.161 0.000 0.221 459 S C 0.396 175.028 174.600 0.054 0.000 0.987 459 S CA 0.268 58.497 58.200 0.048 0.000 0.929 459 S CB 0.025 63.253 63.200 0.047 0.000 0.832 459 S HN 2.118 nan 8.310 nan 0.000 0.492 460 A N 1.544 124.403 122.820 0.066 0.000 2.597 460 A HA 0.700 5.117 4.320 0.161 0.000 0.292 460 A C -3.244 174.420 177.584 0.132 0.000 1.057 460 A CA -1.540 50.552 52.037 0.091 0.000 0.674 460 A CB 0.326 19.372 19.000 0.077 0.000 1.278 460 A HN 0.100 nan 8.150 nan 0.000 0.416 461 P HA 0.242 nan 4.420 nan 0.000 0.264 461 P C -0.723 176.754 177.300 0.297 0.000 1.179 461 P CA 0.491 63.750 63.100 0.264 0.000 0.763 461 P CB 0.568 32.562 31.700 0.490 0.000 0.806 462 L N 3.592 124.918 121.223 0.171 0.000 2.409 462 L HA 0.434 4.870 4.340 0.161 0.000 0.272 462 L C -1.066 175.805 176.870 0.003 0.000 0.980 462 L CA -0.915 54.017 54.840 0.154 0.000 0.826 462 L CB 2.068 44.170 42.059 0.072 0.000 1.268 462 L HN 0.014 nan 8.230 nan 0.000 0.407 463 V N 5.687 125.586 119.914 -0.026 0.000 2.370 463 V HA 0.347 4.564 4.120 0.161 0.000 0.279 463 V C -0.270 175.758 176.094 -0.110 0.000 1.029 463 V CA -0.483 61.672 62.300 -0.242 0.000 0.870 463 V CB 1.512 33.001 31.823 -0.558 0.000 0.984 463 V HN 0.554 nan 8.190 nan 0.000 0.451 464 L N 7.337 128.477 121.223 -0.139 0.000 2.262 464 L HA 0.555 4.992 4.340 0.161 0.000 0.288 464 L C -0.274 176.518 176.870 -0.131 0.000 1.035 464 L CA 0.270 55.050 54.840 -0.099 0.000 0.820 464 L CB 0.699 42.696 42.059 -0.103 0.000 1.204 464 L HN 0.506 nan 8.230 nan 0.000 0.424 465 I N 5.866 126.385 120.570 -0.086 0.000 2.304 465 I HA 0.263 4.530 4.170 0.161 0.000 0.291 465 I C -0.487 175.577 176.117 -0.089 0.000 1.018 465 I CA -0.689 60.558 61.300 -0.088 0.000 1.260 465 I CB 1.278 39.260 38.000 -0.030 0.000 1.390 465 I HN 0.197 nan 8.210 nan 0.000 0.475 466 V N 7.723 127.563 119.914 -0.123 0.000 2.318 466 V HA 0.178 4.395 4.120 0.161 0.000 0.271 466 V C 0.288 176.355 176.094 -0.046 0.000 1.030 466 V CA -0.673 61.528 62.300 -0.165 0.000 0.844 466 V CB 1.449 33.012 31.823 -0.434 0.000 1.015 466 V HN 0.403 nan 8.190 nan 0.000 0.460 467 V N 5.140 125.040 119.914 -0.023 0.000 2.439 467 V HA 0.187 4.404 4.120 0.161 0.000 0.271 467 V C 0.523 176.655 176.094 0.065 0.000 1.040 467 V CA -0.085 62.219 62.300 0.008 0.000 1.002 467 V CB 0.934 32.752 31.823 -0.008 0.000 1.000 467 V HN 0.860 nan 8.190 nan 0.000 0.477 468 N N 4.986 123.750 118.700 0.108 0.000 2.621 468 N HA 0.206 5.042 4.740 0.161 0.000 0.237 468 N C 0.176 175.744 175.510 0.098 0.000 0.997 468 N CA -0.536 52.612 53.050 0.163 0.000 0.918 468 N CB 0.834 39.488 38.487 0.278 0.000 1.122 468 N HN 0.719 nan 8.380 nan 0.000 0.510 469 N N 2.090 120.835 118.700 0.075 0.000 2.275 469 N HA 0.108 4.945 4.740 0.161 0.000 0.236 469 N C -0.419 175.120 175.510 0.047 0.000 1.154 469 N CA -0.493 52.589 53.050 0.052 0.000 0.866 469 N CB -0.252 38.259 38.487 0.040 0.000 1.093 469 N HN 0.331 nan 8.380 nan 0.000 0.515 470 N N 0.599 119.324 118.700 0.042 0.000 2.641 470 N HA -0.097 4.740 4.740 0.161 0.000 0.267 470 N C 0.029 175.561 175.510 0.037 0.000 1.087 470 N CA 1.431 54.491 53.050 0.016 0.000 0.731 470 N CB -1.292 37.191 38.487 -0.006 0.000 0.886 470 N HN 0.949 nan 8.380 nan 0.000 0.547 471 G N -0.920 107.916 108.800 0.060 0.000 2.423 471 G HA2 0.394 4.450 3.960 0.161 0.000 0.684 471 G HA3 0.394 4.450 3.960 0.161 0.000 0.684 471 G C 0.137 175.103 174.900 0.110 0.000 1.309 471 G CA 0.066 45.217 45.100 0.086 0.000 0.950 471 G HN 1.026 nan 8.290 nan 0.000 0.587 472 G N -0.284 108.615 108.800 0.164 0.000 2.741 472 G HA2 0.457 4.513 3.960 0.161 0.000 0.301 472 G HA3 0.457 4.513 3.960 0.161 0.000 0.301 472 G C 0.834 175.824 174.900 0.149 0.000 0.834 472 G CA 0.064 45.267 45.100 0.172 0.000 1.683 472 G HN 0.546 nan 8.290 nan 0.000 0.506 473 Q N 1.985 121.820 119.800 0.058 0.000 2.378 473 Q HA -0.004 4.432 4.340 0.161 0.000 0.205 473 Q C 2.301 178.286 176.000 -0.025 0.000 0.954 473 Q CA 0.011 55.840 55.803 0.044 0.000 0.901 473 Q CB 0.112 28.869 28.738 0.032 0.000 0.981 473 Q HN 0.799 nan 8.270 nan 0.000 0.483 474 I N 0.248 120.728 120.570 -0.151 0.000 2.399 474 I HA -0.277 3.989 4.170 0.161 0.000 0.254 474 I C 0.806 176.792 176.117 -0.218 0.000 1.146 474 I CA 1.112 62.263 61.300 -0.249 0.000 1.412 474 I CB -0.010 37.740 38.000 -0.416 0.000 1.076 474 I HN 0.044 nan 8.210 nan 0.000 0.432 475 F N 0.106 120.086 119.950 0.051 0.000 2.802 475 F HA 0.001 4.622 4.527 0.156 0.000 0.300 475 F C 2.294 178.090 175.800 -0.007 0.000 1.168 475 F CA 0.359 58.386 58.000 0.045 0.000 1.433 475 F CB -0.449 38.636 39.000 0.140 0.000 1.115 475 F HN -0.030 nan 8.300 nan 0.000 0.582 476 S N -0.539 115.233 115.700 0.119 0.000 2.511 476 S HA 0.079 4.646 4.470 0.161 0.000 0.214 476 S C 1.758 176.373 174.600 0.025 0.000 0.997 476 S CA -0.056 58.180 58.200 0.059 0.000 0.908 476 S CB 0.138 63.369 63.200 0.052 0.000 0.803 476 S HN 0.299 nan 8.310 nan 0.000 0.504 477 L N 1.563 122.790 121.223 0.008 0.000 2.168 477 L HA 0.393 4.829 4.340 0.161 0.000 0.203 477 L C 0.326 177.197 176.870 0.000 0.000 1.078 477 L CA 1.161 55.996 54.840 -0.008 0.000 0.780 477 L CB -0.383 41.657 42.059 -0.032 0.000 0.939 477 L HN 0.167 nan 8.230 nan 0.000 0.451 478 L N 1.709 122.943 121.223 0.018 0.000 2.467 478 L HA 0.203 4.639 4.340 0.161 0.000 0.270 478 L C -1.601 175.280 176.870 0.019 0.000 1.205 478 L CA -1.321 53.542 54.840 0.039 0.000 0.828 478 L CB -0.263 41.860 42.059 0.106 0.000 1.101 478 L HN 0.103 nan 8.230 nan 0.000 0.479 479 P HA 0.060 nan 4.420 nan 0.000 0.214 479 P C -0.257 177.002 177.300 -0.067 0.000 1.807 479 P CA -0.348 62.738 63.100 -0.024 0.000 0.921 479 P CB -0.659 31.034 31.700 -0.012 0.000 1.835 480 T N -0.932 113.544 114.554 -0.130 0.000 2.901 480 T HA 0.244 4.691 4.350 0.161 0.000 0.301 480 T C -2.242 172.296 174.700 -0.269 0.000 1.012 480 T CA -2.114 59.788 62.100 -0.330 0.000 1.135 480 T CB -0.330 68.139 68.868 -0.665 0.000 0.936 480 T HN 0.062 nan 8.240 nan 0.000 0.539 481 P HA -0.005 nan 4.420 nan 0.000 0.256 481 P C 0.754 178.011 177.300 -0.072 0.000 1.173 481 P CA 0.274 63.319 63.100 -0.092 0.000 0.768 481 P CB 0.462 32.144 31.700 -0.029 0.000 0.758 482 Q N 2.038 121.816 119.800 -0.036 0.000 2.170 482 Q HA -0.156 4.281 4.340 0.161 0.000 0.203 482 Q C 2.126 178.138 176.000 0.020 0.000 0.976 482 Q CA 1.963 57.758 55.803 -0.014 0.000 0.858 482 Q CB -0.286 28.450 28.738 -0.004 0.000 0.907 482 Q HN 0.585 nan 8.270 nan 0.000 0.433 483 S N 0.954 116.674 115.700 0.033 0.000 2.368 483 S HA -0.152 4.415 4.470 0.161 0.000 0.224 483 S C 1.531 176.194 174.600 0.105 0.000 1.029 483 S CA 1.161 59.395 58.200 0.057 0.000 0.988 483 S CB 0.028 63.257 63.200 0.049 0.000 0.838 483 S HN 0.217 nan 8.310 nan 0.000 0.462 484 E N 0.948 121.238 120.200 0.151 0.000 2.482 484 E HA 0.070 4.516 4.350 0.161 0.000 0.196 484 E C 1.983 178.808 176.600 0.375 0.000 1.047 484 E CA 0.466 57.047 56.400 0.302 0.000 0.869 484 E CB -0.206 29.691 29.700 0.329 0.000 0.836 484 E HN 0.819 nan 8.360 nan 0.000 0.520 485 R N 0.686 121.317 120.500 0.219 0.000 2.119 485 R HA -0.027 4.410 4.340 0.161 0.000 0.222 485 R C 2.022 178.449 176.300 0.212 0.000 1.088 485 R CA 1.452 57.683 56.100 0.220 0.000 0.984 485 R CB -0.165 30.122 30.300 -0.022 0.000 0.884 485 R HN 0.163 nan 8.270 nan 0.000 0.447 486 E N 0.799 121.066 120.200 0.113 0.000 2.031 486 E HA -0.242 4.204 4.350 0.161 0.000 0.193 486 E C 2.219 178.809 176.600 -0.017 0.000 0.994 486 E CA 1.365 57.796 56.400 0.052 0.000 0.800 486 E CB -0.025 29.686 29.700 0.019 0.000 0.752 486 E HN 0.401 nan 8.360 nan 0.000 0.447 487 R N -1.132 119.307 120.500 -0.102 0.000 2.090 487 R HA -0.062 4.374 4.340 0.161 0.000 0.228 487 R C 1.107 177.075 176.300 -0.553 0.000 1.110 487 R CA 1.454 57.311 56.100 -0.405 0.000 0.973 487 R CB -0.022 29.890 30.300 -0.647 0.000 0.869 487 R HN 0.207 nan 8.270 nan 0.000 0.440 488 F N -2.070 117.856 119.950 -0.040 0.000 2.706 488 F HA 0.291 4.913 4.527 0.158 0.000 0.313 488 F C 0.406 175.891 175.800 -0.524 0.000 1.096 488 F CA -0.398 57.458 58.000 -0.239 0.000 1.219 488 F CB 0.607 39.442 39.000 -0.274 0.000 1.051 488 F HN -0.052 nan 8.300 nan 0.000 0.568 489 Y N -1.179 119.092 120.300 -0.048 0.000 2.972 489 Y HA 0.197 4.845 4.550 0.163 0.000 0.229 489 Y C 1.929 177.797 175.900 -0.052 0.000 0.980 489 Y CA 0.060 58.022 58.100 -0.230 0.000 1.475 489 Y CB -0.330 38.012 38.460 -0.196 0.000 1.459 489 Y HN -0.262 nan 8.280 nan 0.000 0.460 490 L N -0.116 121.252 121.223 0.242 0.000 2.027 490 L HA -0.147 4.289 4.340 0.161 0.000 0.206 490 L C 0.559 177.513 176.870 0.139 0.000 1.074 490 L CA 0.963 55.938 54.840 0.226 0.000 0.745 490 L CB -0.653 41.501 42.059 0.158 0.000 0.898 490 L HN 0.308 nan 8.230 nan 0.000 0.433 491 M N 0.108 119.739 119.600 0.051 0.000 2.460 491 M HA -0.124 4.453 4.480 0.161 0.000 0.182 491 M C -2.227 174.080 176.300 0.013 0.000 0.903 491 M CA -0.389 54.912 55.300 0.001 0.000 0.555 491 M CB -1.763 30.830 32.600 -0.012 0.000 1.106 491 M HN 0.037 nan 8.290 nan 0.000 0.867 492 P HA 0.019 nan 4.420 nan 0.000 0.271 492 P C -0.011 177.270 177.300 -0.031 0.000 1.216 492 P CA 0.319 63.417 63.100 -0.003 0.000 0.771 492 P CB 0.705 32.401 31.700 -0.006 0.000 0.864 493 Q N 0.932 120.707 119.800 -0.043 0.000 2.217 493 Q HA 0.089 4.526 4.340 0.161 0.000 0.217 493 Q C -0.085 175.854 176.000 -0.103 0.000 0.844 493 Q CA -0.127 55.636 55.803 -0.066 0.000 0.957 493 Q CB -0.130 28.573 28.738 -0.059 0.000 1.127 493 Q HN 0.521 nan 8.270 nan 0.000 0.503 494 N N 0.746 119.377 118.700 -0.116 0.000 2.614 494 N HA -0.160 4.676 4.740 0.161 0.000 0.276 494 N C -0.993 174.393 175.510 -0.206 0.000 1.119 494 N CA 0.430 53.394 53.050 -0.145 0.000 0.742 494 N CB -0.936 37.498 38.487 -0.089 0.000 0.900 494 N HN 0.034 nan 8.380 nan 0.000 0.549 495 V N 0.736 120.445 119.914 -0.342 0.000 3.181 495 V HA 0.523 4.739 4.120 0.161 0.000 0.308 495 V C -0.472 175.213 176.094 -0.682 0.000 1.214 495 V CA -0.696 61.364 62.300 -0.399 0.000 1.053 495 V CB 2.767 34.365 31.823 -0.375 0.000 1.069 495 V HN 0.454 nan 8.190 nan 0.000 0.441 496 H N 1.224 120.084 119.070 -0.350 0.000 2.906 496 H HA 0.512 5.165 4.556 0.162 0.000 0.337 496 H C -0.927 174.060 175.328 -0.568 0.000 1.257 496 H CA -0.355 55.490 56.048 -0.339 0.000 1.192 496 H CB 1.861 31.571 29.762 -0.087 0.000 1.912 496 H HN 0.564 nan 8.280 nan 0.000 0.573 497 F N -0.528 119.554 119.950 0.219 0.000 2.688 497 F HA 0.158 4.779 4.527 0.157 0.000 0.310 497 F C 2.042 177.754 175.800 -0.148 0.000 1.098 497 F CA -0.103 57.969 58.000 0.120 0.000 1.228 497 F CB 0.664 39.788 39.000 0.206 0.000 1.042 497 F HN 0.515 nan 8.300 nan 0.000 0.557 498 E N 0.177 120.121 120.200 -0.426 0.000 2.077 498 E HA -0.199 4.247 4.350 0.161 0.000 0.193 498 E C 1.881 178.159 176.600 -0.537 0.000 0.989 498 E CA 1.395 57.142 56.400 -1.089 0.000 0.800 498 E CB 0.018 29.095 29.700 -1.039 0.000 0.746 498 E HN 0.472 nan 8.360 nan 0.000 0.452 499 H N -0.540 118.396 119.070 -0.224 0.000 2.363 499 H HA -0.006 4.646 4.556 0.160 0.000 0.301 499 H C 2.095 177.392 175.328 -0.051 0.000 1.074 499 H CA 1.156 57.127 56.048 -0.128 0.000 1.354 499 H CB -0.172 29.531 29.762 -0.097 0.000 1.397 499 H HN 0.277 nan 8.280 nan 0.000 0.516 500 A N 1.446 124.359 122.820 0.155 0.000 1.927 500 A HA -0.237 4.180 4.320 0.161 0.000 0.220 500 A C 2.692 180.441 177.584 0.274 0.000 1.185 500 A CA 2.179 54.366 52.037 0.250 0.000 0.639 500 A CB -0.879 18.337 19.000 0.359 0.000 0.820 500 A HN 0.464 nan 8.150 nan 0.000 0.451 501 A N -0.493 122.423 122.820 0.159 0.000 1.898 501 A HA 0.221 4.637 4.320 0.161 0.000 0.216 501 A C 2.536 180.172 177.584 0.088 0.000 1.181 501 A CA 2.007 54.136 52.037 0.152 0.000 0.620 501 A CB -1.076 18.006 19.000 0.136 0.000 0.819 501 A HN 1.149 nan 8.150 nan 0.000 0.442 502 A N -0.285 122.523 122.820 -0.019 0.000 1.883 502 A HA -0.232 4.184 4.320 0.161 0.000 0.217 502 A C 2.297 179.849 177.584 -0.053 0.000 1.186 502 A CA 2.147 54.156 52.037 -0.047 0.000 0.624 502 A CB -0.640 18.307 19.000 -0.089 0.000 0.822 502 A HN 0.667 nan 8.150 nan 0.000 0.444 503 M N -1.639 117.897 119.600 -0.107 0.000 2.144 503 M HA -0.154 4.423 4.480 0.161 0.000 0.260 503 M C 0.715 176.716 176.300 -0.498 0.000 1.067 503 M CA 1.889 56.982 55.300 -0.345 0.000 1.095 503 M CB -0.158 32.137 32.600 -0.508 0.000 1.365 503 M HN 0.340 nan 8.290 nan 0.000 0.406 504 F N 1.178 121.155 119.950 0.045 0.000 2.639 504 F HA 0.226 4.850 4.527 0.162 0.000 0.300 504 F C 0.282 176.102 175.800 0.035 0.000 1.109 504 F CA -0.082 57.948 58.000 0.050 0.000 1.335 504 F CB -0.367 38.673 39.000 0.066 0.000 1.014 504 F HN 0.255 nan 8.300 nan 0.000 0.537 505 E N 0.484 120.745 120.200 0.101 0.000 2.360 505 E HA -0.237 4.210 4.350 0.161 0.000 0.238 505 E C -0.546 176.101 176.600 0.078 0.000 1.186 505 E CA 0.056 56.494 56.400 0.063 0.000 0.719 505 E CB -2.097 27.631 29.700 0.046 0.000 1.236 505 E HN 0.433 nan 8.360 nan 0.000 0.386 506 L N 0.459 121.742 121.223 0.100 0.000 2.334 506 L HA 0.340 4.776 4.340 0.161 0.000 0.277 506 L C 0.865 177.761 176.870 0.043 0.000 1.075 506 L CA -0.677 54.209 54.840 0.076 0.000 0.804 506 L CB 0.888 43.009 42.059 0.103 0.000 1.174 506 L HN -0.024 nan 8.230 nan 0.000 0.438 507 K N 1.917 122.320 120.400 0.005 0.000 2.401 507 K HA 0.140 4.557 4.320 0.161 0.000 0.278 507 K C -1.167 175.388 176.600 -0.074 0.000 1.018 507 K CA 0.178 56.434 56.287 -0.052 0.000 0.981 507 K CB 0.515 32.976 32.500 -0.064 0.000 0.933 507 K HN 0.359 nan 8.250 nan 0.000 0.477 508 Y N 3.445 123.537 120.300 -0.347 0.000 2.425 508 Y HA 0.295 4.941 4.550 0.160 0.000 0.344 508 Y C -0.962 174.574 175.900 -0.606 0.000 0.969 508 Y CA -0.729 57.173 58.100 -0.330 0.000 1.052 508 Y CB 1.220 39.577 38.460 -0.173 0.000 1.215 508 Y HN 0.580 nan 8.280 nan 0.000 0.451 509 H N 5.385 123.984 119.070 -0.785 0.000 2.679 509 H HA 0.394 5.046 4.556 0.161 0.000 0.360 509 H C -1.059 173.704 175.328 -0.942 0.000 1.105 509 H CA -0.962 54.684 56.048 -0.671 0.000 1.196 509 H CB 2.302 31.843 29.762 -0.368 0.000 1.636 509 H HN 0.655 nan 8.280 nan 0.000 0.531 510 R N 3.784 124.033 120.500 -0.418 0.000 2.396 510 R HA 0.275 4.711 4.340 0.161 0.000 0.292 510 R C -2.804 173.460 176.300 -0.060 0.000 1.240 510 R CA -1.570 54.418 56.100 -0.187 0.000 1.270 510 R CB 0.499 30.804 30.300 0.008 0.000 1.108 510 R HN 0.324 nan 8.270 nan 0.000 0.573 511 P HA 0.139 nan 4.420 nan 0.000 0.279 511 P C -0.600 176.680 177.300 -0.033 0.000 1.239 511 P CA -0.220 62.864 63.100 -0.027 0.000 0.789 511 P CB 1.395 33.103 31.700 0.014 0.000 0.933 512 Q N 1.102 120.761 119.800 -0.236 0.000 2.247 512 Q HA 0.121 4.557 4.340 0.161 0.000 0.211 512 Q C -0.214 175.099 176.000 -1.144 0.000 0.861 512 Q CA 0.067 55.611 55.803 -0.432 0.000 0.949 512 Q CB 0.147 28.754 28.738 -0.217 0.000 1.115 512 Q HN 0.627 nan 8.270 nan 0.000 0.507 513 N N -3.209 114.742 118.700 -1.249 0.000 2.961 513 N HA 0.076 4.912 4.740 0.161 0.000 0.245 513 N C -0.688 174.458 175.510 -0.606 0.000 1.404 513 N CA -0.894 51.237 53.050 -1.533 0.000 0.880 513 N CB -0.311 37.784 38.487 -0.653 0.000 1.461 513 N HN -0.084 nan 8.380 nan 0.000 0.510 514 W N -0.113 121.214 121.300 0.045 0.000 2.255 514 W HA -0.302 4.455 4.660 0.161 0.000 0.318 514 W C 1.911 178.507 176.519 0.128 0.000 1.277 514 W CA 1.535 59.031 57.345 0.252 0.000 1.286 514 W CB -0.471 29.133 29.460 0.240 0.000 1.132 514 W HN 0.611 nan 8.180 nan 0.000 0.504 515 Q N -0.083 119.839 119.800 0.203 0.000 2.020 515 Q HA -0.219 4.218 4.340 0.161 0.000 0.202 515 Q C 2.037 178.087 176.000 0.082 0.000 0.982 515 Q CA 1.884 57.763 55.803 0.126 0.000 0.838 515 Q CB -0.526 28.247 28.738 0.059 0.000 0.899 515 Q HN 0.450 nan 8.270 nan 0.000 0.423 516 E N 0.429 120.632 120.200 0.004 0.000 2.204 516 E HA -0.167 4.280 4.350 0.161 0.000 0.194 516 E C 1.924 178.519 176.600 -0.008 0.000 0.989 516 E CA 0.528 56.910 56.400 -0.029 0.000 0.824 516 E CB -0.010 29.640 29.700 -0.084 0.000 0.756 516 E HN 0.173 nan 8.360 nan 0.000 0.477 517 L N 1.245 122.520 121.223 0.087 0.000 2.156 517 L HA -0.116 4.320 4.340 0.161 0.000 0.208 517 L C 1.907 178.930 176.870 0.255 0.000 1.095 517 L CA 1.577 56.507 54.840 0.149 0.000 0.770 517 L CB 0.023 42.224 42.059 0.236 0.000 0.914 517 L HN -0.005 nan 8.230 nan 0.000 0.439 518 E N -0.930 119.441 120.200 0.285 0.000 2.110 518 E HA -0.190 4.256 4.350 0.161 0.000 0.193 518 E C 1.901 178.610 176.600 0.182 0.000 0.988 518 E CA 1.761 58.339 56.400 0.297 0.000 0.804 518 E CB -0.132 29.728 29.700 0.266 0.000 0.745 518 E HN 0.549 nan 8.360 nan 0.000 0.458 519 T N 0.878 115.473 114.554 0.068 0.000 2.821 519 T HA -0.096 4.351 4.350 0.161 0.000 0.267 519 T C 1.994 176.600 174.700 -0.156 0.000 1.046 519 T CA 1.002 63.088 62.100 -0.023 0.000 1.139 519 T CB -0.172 68.660 68.868 -0.061 0.000 0.871 519 T HN 0.226 nan 8.240 nan 0.000 0.454 520 A N 0.994 123.645 122.820 -0.281 0.000 1.892 520 A HA -0.086 4.330 4.320 0.161 0.000 0.218 520 A C 1.991 179.323 177.584 -0.421 0.000 1.188 520 A CA 1.548 53.234 52.037 -0.584 0.000 0.631 520 A CB -1.056 17.647 19.000 -0.495 0.000 0.822 520 A HN 0.476 nan 8.150 nan 0.000 0.447 521 F N -0.180 119.611 119.950 -0.265 0.000 2.128 521 F HA -0.011 4.613 4.527 0.161 0.000 0.295 521 F C 2.810 178.476 175.800 -0.224 0.000 1.100 521 F CA 1.100 58.908 58.000 -0.320 0.000 1.260 521 F CB -0.376 38.589 39.000 -0.059 0.000 1.009 521 F HN 0.251 nan 8.300 nan 0.000 0.476 522 A N -0.596 122.309 122.820 0.141 0.000 2.024 522 A HA -0.265 4.152 4.320 0.161 0.000 0.220 522 A C 1.764 179.380 177.584 0.053 0.000 1.164 522 A CA 2.254 54.378 52.037 0.144 0.000 0.643 522 A CB -0.858 18.216 19.000 0.124 0.000 0.806 522 A HN 0.414 nan 8.150 nan 0.000 0.451 523 D N -0.780 119.588 120.400 -0.053 0.000 2.162 523 D HA 0.123 4.859 4.640 0.161 0.000 0.205 523 D C 2.112 178.373 176.300 -0.065 0.000 0.964 523 D CA 1.272 55.249 54.000 -0.037 0.000 0.847 523 D CB -0.240 40.541 40.800 -0.031 0.000 0.988 523 D HN 0.282 nan 8.370 nan 0.000 0.480 524 A N 0.363 123.043 122.820 -0.234 0.000 1.896 524 A HA -0.210 4.206 4.320 0.161 0.000 0.220 524 A C 2.030 179.490 177.584 -0.207 0.000 1.206 524 A CA 1.863 53.676 52.037 -0.373 0.000 0.647 524 A CB -1.595 16.897 19.000 -0.846 0.000 0.828 524 A HN 0.562 nan 8.150 nan 0.000 0.455 525 W N 0.415 121.758 121.300 0.071 0.000 3.077 525 W HA 0.053 4.808 4.660 0.160 0.000 0.245 525 W C 2.222 178.782 176.519 0.068 0.000 1.316 525 W CA 0.341 57.737 57.345 0.087 0.000 1.537 525 W CB 0.009 29.544 29.460 0.126 0.000 1.131 525 W HN 0.454 nan 8.180 nan 0.000 0.695 526 R N 0.714 121.343 120.500 0.215 0.000 2.235 526 R HA 0.032 4.468 4.340 0.161 0.000 0.213 526 R C 0.451 176.825 176.300 0.123 0.000 1.059 526 R CA 1.196 57.388 56.100 0.154 0.000 0.997 526 R CB -0.908 29.457 30.300 0.108 0.000 0.884 526 R HN 0.031 nan 8.270 nan 0.000 0.462 527 T N -1.786 112.839 114.554 0.119 0.000 2.916 527 T HA 0.323 4.769 4.350 0.161 0.000 0.305 527 T C -2.871 171.889 174.700 0.100 0.000 1.119 527 T CA -2.113 60.042 62.100 0.092 0.000 1.008 527 T CB 2.698 71.604 68.868 0.064 0.000 1.129 527 T HN -0.161 nan 8.240 nan 0.000 0.480 528 P HA 0.184 nan 4.420 nan 0.000 0.238 528 P C 0.078 177.419 177.300 0.069 0.000 1.714 528 P CA 0.029 63.180 63.100 0.085 0.000 0.908 528 P CB -1.010 30.732 31.700 0.070 0.000 1.893 529 T N -3.398 111.194 114.554 0.064 0.000 2.910 529 T HA 0.486 4.932 4.350 0.161 0.000 0.287 529 T C -0.015 174.701 174.700 0.026 0.000 1.050 529 T CA -0.614 61.510 62.100 0.041 0.000 1.011 529 T CB 0.867 69.754 68.868 0.032 0.000 1.195 529 T HN -0.147 nan 8.240 nan 0.000 0.540 530 T N 2.014 116.572 114.554 0.006 0.000 2.889 530 T HA 0.564 5.011 4.350 0.161 0.000 0.291 530 T C -0.348 174.324 174.700 -0.046 0.000 0.995 530 T CA -0.313 61.772 62.100 -0.024 0.000 1.092 530 T CB 0.818 69.668 68.868 -0.029 0.000 0.954 530 T HN 0.752 nan 8.240 nan 0.000 0.506 531 T N 2.379 116.871 114.554 -0.104 0.000 2.841 531 T HA 0.413 4.859 4.350 0.161 0.000 0.285 531 T C -0.210 174.408 174.700 -0.137 0.000 0.991 531 T CA -0.568 61.461 62.100 -0.119 0.000 0.966 531 T CB 1.273 70.034 68.868 -0.180 0.000 0.962 531 T HN 0.322 nan 8.240 nan 0.000 0.438 532 V N 5.058 124.933 119.914 -0.065 0.000 2.432 532 V HA 0.365 4.581 4.120 0.161 0.000 0.271 532 V C 0.126 176.114 176.094 -0.176 0.000 1.046 532 V CA -0.425 61.845 62.300 -0.051 0.000 0.945 532 V CB 0.293 32.203 31.823 0.145 0.000 0.992 532 V HN 0.744 nan 8.190 nan 0.000 0.471 533 I N 4.608 125.040 120.570 -0.231 0.000 2.377 533 I HA 0.464 4.731 4.170 0.161 0.000 0.293 533 I C 0.070 176.071 176.117 -0.193 0.000 0.987 533 I CA -0.373 60.754 61.300 -0.289 0.000 1.185 533 I CB 1.769 39.562 38.000 -0.345 0.000 1.341 533 I HN 0.638 nan 8.210 nan 0.000 0.455 534 E N 7.322 127.403 120.200 -0.198 0.000 2.155 534 E HA 0.394 4.840 4.350 0.161 0.000 0.264 534 E C -1.190 175.421 176.600 0.018 0.000 0.886 534 E CA -0.678 55.726 56.400 0.006 0.000 0.752 534 E CB 1.373 31.216 29.700 0.239 0.000 1.133 534 E HN 0.529 nan 8.360 nan 0.000 0.414 535 M N 4.886 124.496 119.600 0.017 0.000 2.061 535 M HA 0.245 4.822 4.480 0.161 0.000 0.346 535 M C -1.054 175.284 176.300 0.063 0.000 1.112 535 M CA -0.790 54.508 55.300 -0.003 0.000 1.021 535 M CB 1.342 33.850 32.600 -0.153 0.000 1.530 535 M HN 0.328 nan 8.290 nan 0.000 0.437 536 V N 5.657 125.646 119.914 0.126 0.000 2.406 536 V HA 0.488 4.705 4.120 0.161 0.000 0.272 536 V C 0.027 176.184 176.094 0.105 0.000 1.043 536 V CA -0.636 61.757 62.300 0.155 0.000 0.915 536 V CB 0.974 32.933 31.823 0.226 0.000 0.988 536 V HN 0.679 nan 8.190 nan 0.000 0.466 537 V N 1.902 121.858 119.914 0.070 0.000 3.078 537 V HA 0.678 4.895 4.120 0.161 0.000 0.311 537 V C -0.383 175.741 176.094 0.050 0.000 1.138 537 V CA -1.247 61.080 62.300 0.044 0.000 1.007 537 V CB 2.277 34.094 31.823 -0.010 0.000 1.045 537 V HN 0.641 nan 8.190 nan 0.000 0.432 538 N N 3.066 121.795 118.700 0.049 0.000 2.454 538 N HA 0.040 4.877 4.740 0.161 0.000 0.260 538 N C 0.898 176.430 175.510 0.037 0.000 1.218 538 N CA 0.692 53.769 53.050 0.044 0.000 0.904 538 N CB 0.741 39.254 38.487 0.044 0.000 1.065 538 N HN 1.005 nan 8.380 nan 0.000 0.462 539 D N 0.886 121.308 120.400 0.036 0.000 2.157 539 D HA -0.248 4.488 4.640 0.161 0.000 0.191 539 D C 1.174 177.493 176.300 0.033 0.000 1.004 539 D CA 2.453 56.475 54.000 0.036 0.000 0.854 539 D CB -0.592 40.230 40.800 0.036 0.000 0.936 539 D HN 0.601 nan 8.370 nan 0.000 0.446 540 T N -4.512 110.060 114.554 0.030 0.000 3.044 540 T HA 0.146 4.593 4.350 0.161 0.000 0.260 540 T C 1.047 175.760 174.700 0.022 0.000 1.019 540 T CA -0.072 62.044 62.100 0.026 0.000 0.921 540 T CB 0.287 69.170 68.868 0.026 0.000 1.053 540 T HN -0.214 nan 8.240 nan 0.000 0.533 541 D N 2.341 122.756 120.400 0.026 0.000 2.133 541 D HA -0.044 4.693 4.640 0.161 0.000 0.195 541 D C 2.247 178.561 176.300 0.022 0.000 0.997 541 D CA 1.800 55.817 54.000 0.027 0.000 0.840 541 D CB -0.778 40.042 40.800 0.034 0.000 0.947 541 D HN 0.580 nan 8.370 nan 0.000 0.452 542 G N 0.489 109.299 108.800 0.017 0.000 2.480 542 G HA2 -0.203 3.853 3.960 0.161 0.000 0.216 542 G HA3 -0.203 3.853 3.960 0.161 0.000 0.216 542 G C 1.696 176.600 174.900 0.007 0.000 1.200 542 G CA 1.631 46.739 45.100 0.012 0.000 0.782 542 G HN 0.423 nan 8.290 nan 0.000 0.554 543 A N -0.151 122.671 122.820 0.003 0.000 1.897 543 A HA -0.008 4.408 4.320 0.161 0.000 0.215 543 A C 2.304 179.887 177.584 -0.002 0.000 1.181 543 A CA 2.010 54.045 52.037 -0.004 0.000 0.620 543 A CB -0.551 18.445 19.000 -0.005 0.000 0.821 543 A HN 0.440 nan 8.150 nan 0.000 0.443 544 Q N -0.790 119.013 119.800 0.005 0.000 2.014 544 Q HA -0.188 4.248 4.340 0.161 0.000 0.207 544 Q C 2.230 178.232 176.000 0.003 0.000 0.993 544 Q CA 2.715 58.521 55.803 0.006 0.000 0.850 544 Q CB -0.401 28.344 28.738 0.012 0.000 0.916 544 Q HN 0.654 nan 8.270 nan 0.000 0.417 545 T N 1.147 115.706 114.554 0.007 0.000 2.684 545 T HA -0.199 4.248 4.350 0.161 0.000 0.267 545 T C 1.691 176.388 174.700 -0.005 0.000 1.036 545 T CA 1.357 63.460 62.100 0.005 0.000 1.148 545 T CB -0.437 68.440 68.868 0.015 0.000 0.863 545 T HN 0.239 nan 8.240 nan 0.000 0.436 546 L N 1.080 122.299 121.223 -0.007 0.000 2.043 546 L HA -0.193 4.243 4.340 0.161 0.000 0.212 546 L C 2.478 179.335 176.870 -0.023 0.000 1.075 546 L CA 1.858 56.689 54.840 -0.016 0.000 0.752 546 L CB -0.647 41.401 42.059 -0.019 0.000 0.891 546 L HN 0.283 nan 8.230 nan 0.000 0.432 547 Q N -1.103 118.685 119.800 -0.019 0.000 2.050 547 Q HA -0.269 4.167 4.340 0.161 0.000 0.202 547 Q C 2.264 178.247 176.000 -0.028 0.000 0.980 547 Q CA 2.238 58.027 55.803 -0.023 0.000 0.840 547 Q CB -0.169 28.559 28.738 -0.016 0.000 0.898 547 Q HN 0.671 nan 8.270 nan 0.000 0.424 548 Q N 0.195 119.983 119.800 -0.019 0.000 2.050 548 Q HA -0.131 4.306 4.340 0.161 0.000 0.202 548 Q C 2.113 178.096 176.000 -0.028 0.000 0.980 548 Q CA 1.093 56.884 55.803 -0.018 0.000 0.840 548 Q CB -0.100 28.635 28.738 -0.004 0.000 0.898 548 Q HN 0.346 nan 8.270 nan 0.000 0.424 549 L N 0.298 121.506 121.223 -0.025 0.000 2.131 549 L HA -0.198 4.238 4.340 0.161 0.000 0.210 549 L C 2.268 179.115 176.870 -0.039 0.000 1.092 549 L CA 0.760 55.584 54.840 -0.028 0.000 0.759 549 L CB -0.299 41.744 42.059 -0.027 0.000 0.903 549 L HN 0.277 nan 8.230 nan 0.000 0.435 550 L N -0.754 120.441 121.223 -0.047 0.000 2.093 550 L HA -0.200 4.236 4.340 0.161 0.000 0.208 550 L C 2.732 179.547 176.870 -0.093 0.000 1.085 550 L CA 1.216 56.021 54.840 -0.059 0.000 0.755 550 L CB -0.324 41.702 42.059 -0.055 0.000 0.904 550 L HN 0.262 nan 8.230 nan 0.000 0.435 551 A N -1.039 121.712 122.820 -0.116 0.000 1.854 551 A HA -0.254 4.163 4.320 0.161 0.000 0.214 551 A C 2.128 179.553 177.584 -0.266 0.000 1.192 551 A CA 1.418 53.317 52.037 -0.230 0.000 0.611 551 A CB -0.616 18.274 19.000 -0.183 0.000 0.832 551 A HN 0.462 nan 8.150 nan 0.000 0.442 552 Q N -0.344 119.393 119.800 -0.106 0.000 2.103 552 Q HA -0.228 4.208 4.340 0.161 0.000 0.213 552 Q C 1.899 177.891 176.000 -0.013 0.000 1.008 552 Q CA 2.744 58.532 55.803 -0.023 0.000 0.879 552 Q CB -0.284 28.455 28.738 0.000 0.000 0.946 552 Q HN 0.391 nan 8.270 nan 0.000 0.413 553 V N 0.484 120.383 119.914 -0.024 0.000 2.719 553 V HA -0.156 4.060 4.120 0.161 0.000 0.252 553 V C 2.306 178.415 176.094 0.024 0.000 1.065 553 V CA 1.454 63.766 62.300 0.020 0.000 1.086 553 V CB -0.251 31.594 31.823 0.037 0.000 0.700 553 V HN 0.565 nan 8.190 nan 0.000 0.467 554 S N -0.877 114.797 115.700 -0.044 0.000 2.500 554 S HA -0.229 4.337 4.470 0.161 0.000 0.239 554 S C 1.638 176.268 174.600 0.049 0.000 0.989 554 S CA 1.655 59.832 58.200 -0.037 0.000 0.951 554 S CB -0.589 62.531 63.200 -0.133 0.000 0.759 554 S HN 0.805 nan 8.310 nan 0.000 0.523 555 H N -0.145 118.943 119.070 0.030 0.000 2.604 555 H HA 0.349 5.002 4.556 0.161 0.000 0.273 555 H C 0.557 175.896 175.328 0.019 0.000 0.971 555 H CA -0.118 55.943 56.048 0.023 0.000 1.249 555 H CB 0.231 30.003 29.762 0.017 0.000 1.449 555 H HN 0.393 nan 8.280 nan 0.000 0.512 556 L N 0.000 121.308 121.223 0.142 0.000 2.949 556 L HA 0.000 4.437 4.340 0.161 0.000 0.249 556 L CA 0.000 54.886 54.840 0.077 0.000 0.813 556 L CB 0.000 42.091 42.059 0.053 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502