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_R DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYXXMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN GGQIFSLLPT PQSERERFYL MPQNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 S N 2.515 118.208 115.700 -0.011 0.000 2.519 2 S HA 0.221 4.692 4.470 0.000 0.000 0.320 2 S C 1.028 175.644 174.600 0.026 0.000 1.179 2 S CA -0.355 57.850 58.200 0.008 0.000 1.173 2 S CB 0.161 63.371 63.200 0.016 0.000 1.224 2 S HN 0.249 nan 8.310 nan 0.000 0.542 3 V N 5.293 125.218 119.914 0.018 0.000 2.282 3 V HA -0.167 3.954 4.120 0.000 0.000 0.249 3 V C 2.637 178.753 176.094 0.036 0.000 1.057 3 V CA 2.137 64.458 62.300 0.036 0.000 1.032 3 V CB -1.526 30.302 31.823 0.008 0.000 0.645 3 V HN 0.866 nan 8.190 nan 0.000 0.447 4 S N -0.184 115.521 115.700 0.008 0.000 2.435 4 S HA -0.401 4.069 4.470 0.000 0.000 0.250 4 S C 2.201 176.801 174.600 0.001 0.000 1.065 4 S CA 2.522 60.712 58.200 -0.016 0.000 1.243 4 S CB -0.801 62.400 63.200 0.001 0.000 1.158 4 S HN 0.753 nan 8.310 nan 0.000 0.430 5 A N 0.412 123.253 122.820 0.036 0.000 1.884 5 A HA -0.191 4.129 4.320 0.000 0.000 0.219 5 A C 2.008 179.664 177.584 0.121 0.000 1.197 5 A CA 2.333 54.409 52.037 0.066 0.000 0.637 5 A CB -1.168 17.875 19.000 0.072 0.000 0.827 5 A HN 0.618 nan 8.150 nan 0.000 0.450 6 F N 1.335 121.262 119.950 -0.038 0.000 2.171 6 F HA -0.162 4.365 4.527 0.000 0.000 0.300 6 F C 1.998 177.801 175.800 0.005 0.000 1.090 6 F CA 1.747 59.709 58.000 -0.064 0.000 1.293 6 F CB -0.431 38.465 39.000 -0.173 0.000 1.013 6 F HN 0.220 nan 8.300 nan 0.000 0.486 7 N N 0.509 119.148 118.700 -0.102 0.000 2.166 7 N HA -0.155 4.586 4.740 0.000 0.000 0.186 7 N C 1.976 177.428 175.510 -0.098 0.000 1.019 7 N CA 1.262 54.235 53.050 -0.128 0.000 0.856 7 N CB -0.322 38.104 38.487 -0.101 0.000 0.993 7 N HN 0.339 nan 8.380 nan 0.000 0.426 8 R N 0.506 120.959 120.500 -0.079 0.000 2.070 8 R HA 0.051 4.391 4.340 0.000 0.000 0.233 8 R C 2.141 178.487 176.300 0.077 0.000 1.137 8 R CA 1.040 57.126 56.100 -0.023 0.000 0.945 8 R CB -0.074 30.218 30.300 -0.013 0.000 0.845 8 R HN 0.212 nan 8.270 nan 0.000 0.430 9 R N 0.214 120.776 120.500 0.103 0.000 2.096 9 R HA -0.171 4.169 4.340 0.000 0.000 0.235 9 R C 2.027 178.555 176.300 0.380 0.000 1.127 9 R CA 1.020 57.270 56.100 0.250 0.000 0.968 9 R CB -0.784 29.735 30.300 0.366 0.000 0.861 9 R HN 0.504 nan 8.270 nan 0.000 0.440 10 W N 2.019 123.269 121.300 -0.082 0.000 2.315 10 W HA -0.279 4.381 4.660 0.000 0.000 0.323 10 W C 2.048 178.681 176.519 0.190 0.000 1.233 10 W CA 2.369 59.716 57.345 0.003 0.000 1.267 10 W CB -0.351 28.867 29.460 -0.403 0.000 1.160 10 W HN 0.147 nan 8.180 nan 0.000 0.474 11 A N 0.940 124.003 122.820 0.404 0.000 1.865 11 A HA -0.134 4.186 4.320 0.000 0.000 0.217 11 A C 2.192 179.914 177.584 0.230 0.000 1.191 11 A CA 3.088 55.313 52.037 0.313 0.000 0.623 11 A CB -1.552 17.525 19.000 0.128 0.000 0.826 11 A HN 0.394 nan 8.150 nan 0.000 0.444 12 A N -0.701 122.263 122.820 0.240 0.000 2.032 12 A HA -0.021 4.299 4.320 0.000 0.000 0.221 12 A C 2.214 180.040 177.584 0.403 0.000 1.165 12 A CA 1.927 54.147 52.037 0.304 0.000 0.645 12 A CB -0.907 18.263 19.000 0.284 0.000 0.807 12 A HN 0.403 nan 8.150 nan 0.000 0.453 13 V N 0.338 120.464 119.914 0.354 0.000 2.229 13 V HA -0.292 3.829 4.120 0.000 0.000 0.243 13 V C 2.382 178.522 176.094 0.076 0.000 1.042 13 V CA 2.045 64.472 62.300 0.212 0.000 1.000 13 V CB -0.866 30.978 31.823 0.035 0.000 0.637 13 V HN 0.617 nan 8.190 nan 0.000 0.446 14 I N -0.097 120.467 120.570 -0.011 0.000 2.103 14 I HA -0.386 3.784 4.170 0.000 0.000 0.241 14 I C 2.408 178.595 176.117 0.117 0.000 1.036 14 I CA 2.025 63.326 61.300 0.003 0.000 1.300 14 I CB -0.737 37.277 38.000 0.022 0.000 1.010 14 I HN 0.239 nan 8.210 nan 0.000 0.406 15 L N 0.155 121.493 121.223 0.192 0.000 2.042 15 L HA -0.231 4.109 4.340 0.000 0.000 0.210 15 L C 2.605 179.690 176.870 0.357 0.000 1.076 15 L CA 1.730 56.746 54.840 0.293 0.000 0.749 15 L CB -0.579 41.677 42.059 0.328 0.000 0.893 15 L HN 0.249 nan 8.230 nan 0.000 0.432 16 E N 0.120 120.491 120.200 0.284 0.000 2.047 16 E HA -0.188 4.162 4.350 0.000 0.000 0.191 16 E C 2.223 178.925 176.600 0.171 0.000 0.987 16 E CA 1.297 57.810 56.400 0.188 0.000 0.799 16 E CB -0.219 29.600 29.700 0.197 0.000 0.752 16 E HN 0.344 nan 8.360 nan 0.000 0.449 17 A N 0.793 123.776 122.820 0.271 0.000 1.958 17 A HA -0.220 4.100 4.320 0.000 0.000 0.221 17 A C 2.285 180.035 177.584 0.277 0.000 1.178 17 A CA 1.740 53.956 52.037 0.297 0.000 0.642 17 A CB -0.924 18.159 19.000 0.138 0.000 0.816 17 A HN 0.383 nan 8.150 nan 0.000 0.453 18 L N -1.133 120.243 121.223 0.254 0.000 2.131 18 L HA -0.158 4.182 4.340 0.000 0.000 0.210 18 L C 2.671 179.691 176.870 0.250 0.000 1.092 18 L CA 1.639 56.650 54.840 0.285 0.000 0.759 18 L CB -0.953 41.278 42.059 0.287 0.000 0.903 18 L HN 0.329 nan 8.230 nan 0.000 0.435 19 T N -0.411 114.231 114.554 0.145 0.000 2.822 19 T HA -0.133 4.217 4.350 0.000 0.000 0.270 19 T C 1.590 176.236 174.700 -0.090 0.000 1.064 19 T CA 1.009 63.078 62.100 -0.052 0.000 1.131 19 T CB -0.140 68.610 68.868 -0.196 0.000 0.858 19 T HN 0.236 nan 8.240 nan 0.000 0.483 20 R N 0.851 121.296 120.500 -0.092 0.000 2.356 20 R HA 0.138 4.478 4.340 0.000 0.000 0.234 20 R C 0.320 176.361 176.300 -0.432 0.000 0.929 20 R CA 0.259 56.204 56.100 -0.259 0.000 1.084 20 R CB -0.224 29.912 30.300 -0.273 0.000 1.105 20 R HN 0.567 nan 8.270 nan 0.000 0.515 21 H N -0.866 118.215 119.070 0.017 0.000 2.750 21 H HA 0.200 4.756 4.556 0.000 0.000 0.252 21 H C 0.730 176.072 175.328 0.023 0.000 1.176 21 H CA 0.328 56.388 56.048 0.020 0.000 0.987 21 H CB 1.196 30.974 29.762 0.027 0.000 1.810 21 H HN 0.364 nan 8.280 nan 0.000 0.630 22 G N 1.346 110.192 108.800 0.075 0.000 2.159 22 G HA2 -0.301 3.659 3.960 0.000 0.000 0.256 22 G HA3 -0.301 3.659 3.960 0.000 0.000 0.256 22 G C 0.325 175.284 174.900 0.099 0.000 0.977 22 G CA 0.300 45.436 45.100 0.060 0.000 0.652 22 G HN 0.213 nan 8.290 nan 0.000 0.531 23 V N 1.565 121.572 119.914 0.156 0.000 2.421 23 V HA 0.357 4.477 4.120 0.000 0.000 0.271 23 V C 1.542 177.798 176.094 0.270 0.000 1.031 23 V CA 0.565 63.004 62.300 0.232 0.000 1.032 23 V CB 1.267 33.285 31.823 0.324 0.000 1.009 23 V HN 0.387 nan 8.190 nan 0.000 0.477 24 R N 2.574 123.196 120.500 0.204 0.000 2.194 24 R HA 0.170 4.510 4.340 0.000 0.000 0.194 24 R C 0.453 176.783 176.300 0.050 0.000 0.985 24 R CA 0.499 56.643 56.100 0.073 0.000 1.104 24 R CB 0.469 30.752 30.300 -0.029 0.000 1.092 24 R HN 0.736 nan 8.270 nan 0.000 0.555 25 H N -0.172 118.985 119.070 0.145 0.000 2.472 25 H HA 0.390 4.946 4.556 0.000 0.000 0.338 25 H C -0.656 174.677 175.328 0.008 0.000 1.133 25 H CA -0.534 55.570 56.048 0.092 0.000 1.216 25 H CB 2.288 32.145 29.762 0.159 0.000 1.497 25 H HN 0.061 nan 8.280 nan 0.000 0.500 26 I N 1.783 122.373 120.570 0.033 0.000 2.619 26 I HA 0.220 4.391 4.170 0.000 0.000 0.292 26 I C -0.976 175.169 176.117 0.047 0.000 1.100 26 I CA -0.468 60.767 61.300 -0.108 0.000 1.043 26 I CB 1.326 39.029 38.000 -0.495 0.000 1.239 26 I HN 0.528 nan 8.210 nan 0.000 0.420 27 C N 7.401 126.734 119.300 0.056 0.000 2.345 27 C HA 0.657 5.118 4.460 0.000 0.000 0.323 27 C C -0.282 174.754 174.990 0.076 0.000 1.276 27 C CA -0.536 58.546 59.018 0.106 0.000 1.543 27 C CB 0.544 28.331 27.740 0.078 0.000 2.211 27 C HN 0.490 nan 8.230 nan 0.000 0.493 28 I N 3.160 123.792 120.570 0.103 0.000 2.512 28 I HA 0.561 4.731 4.170 0.000 0.000 0.287 28 I C 0.075 176.251 176.117 0.098 0.000 1.069 28 I CA -0.010 61.343 61.300 0.089 0.000 1.056 28 I CB 1.522 39.575 38.000 0.088 0.000 1.229 28 I HN 0.724 nan 8.210 nan 0.000 0.429 29 A N 8.084 130.956 122.820 0.086 0.000 2.325 29 A HA 0.884 5.204 4.320 0.000 0.000 0.333 29 A C -2.489 175.147 177.584 0.086 0.000 1.155 29 A CA -1.563 50.526 52.037 0.086 0.000 0.814 29 A CB 0.518 19.562 19.000 0.073 0.000 1.206 29 A HN 0.422 nan 8.150 nan 0.000 0.482 30 P HA 0.402 nan 4.420 nan 0.000 0.269 30 P C 0.235 177.583 177.300 0.079 0.000 1.211 30 P CA 0.567 63.718 63.100 0.085 0.000 0.781 30 P CB 0.700 32.453 31.700 0.089 0.000 0.877 31 G N -1.017 107.830 108.800 0.078 0.000 2.340 31 G HA2 0.225 4.185 3.960 0.000 0.000 0.300 31 G HA3 0.225 4.185 3.960 0.000 0.000 0.300 31 G C 0.102 175.057 174.900 0.092 0.000 1.488 31 G CA 0.081 45.228 45.100 0.079 0.000 0.878 31 G HN 0.397 nan 8.290 nan 0.000 0.618 32 S N -0.937 114.824 115.700 0.102 0.000 2.398 32 S HA 0.006 4.476 4.470 0.000 0.000 0.220 32 S C 2.247 176.880 174.600 0.055 0.000 1.046 32 S CA 1.212 59.498 58.200 0.144 0.000 0.953 32 S CB -0.140 63.171 63.200 0.185 0.000 0.856 32 S HN 0.582 nan 8.310 nan 0.000 0.506 33 R N 1.869 122.402 120.500 0.055 0.000 2.303 33 R HA 0.015 4.355 4.340 0.000 0.000 0.225 33 R C 1.809 178.127 176.300 0.030 0.000 1.114 33 R CA 1.728 57.853 56.100 0.042 0.000 1.007 33 R CB -0.567 29.781 30.300 0.080 0.000 0.861 33 R HN 0.513 nan 8.270 nan 0.000 0.471 34 S N -3.437 112.274 115.700 0.019 0.000 2.502 34 S HA 0.050 4.520 4.470 0.000 0.000 0.215 34 S C 1.662 176.218 174.600 -0.074 0.000 1.009 34 S CA 0.303 58.513 58.200 0.018 0.000 0.908 34 S CB 0.023 63.258 63.200 0.059 0.000 0.801 34 S HN 0.167 nan 8.310 nan 0.000 0.505 35 T N 3.853 118.346 114.554 -0.101 0.000 2.684 35 T HA -0.186 4.164 4.350 0.000 0.000 0.259 35 T C 1.533 176.098 174.700 -0.224 0.000 1.086 35 T CA 2.081 64.087 62.100 -0.156 0.000 1.155 35 T CB -0.652 68.024 68.868 -0.321 0.000 0.848 35 T HN 0.232 nan 8.240 nan 0.000 0.464 36 L N 0.133 121.114 121.223 -0.403 0.000 2.012 36 L HA -0.027 4.313 4.340 0.000 0.000 0.210 36 L C 2.474 179.195 176.870 -0.248 0.000 1.073 36 L CA 1.694 56.252 54.840 -0.470 0.000 0.748 36 L CB -1.455 39.969 42.059 -1.059 0.000 0.891 36 L HN 0.374 nan 8.230 nan 0.000 0.431 37 L N -1.660 119.463 121.223 -0.166 0.000 2.109 37 L HA -0.119 4.221 4.340 0.000 0.000 0.207 37 L C 2.427 179.308 176.870 0.019 0.000 1.086 37 L CA 0.825 55.670 54.840 0.008 0.000 0.760 37 L CB -0.834 41.284 42.059 0.098 0.000 0.910 37 L HN 0.202 nan 8.230 nan 0.000 0.437 38 T N 0.225 114.777 114.554 -0.002 0.000 2.588 38 T HA -0.138 4.212 4.350 0.000 0.000 0.261 38 T C 1.968 176.678 174.700 0.018 0.000 1.069 38 T CA 1.006 63.115 62.100 0.016 0.000 1.172 38 T CB -0.233 68.647 68.868 0.019 0.000 0.863 38 T HN 0.077 nan 8.240 nan 0.000 0.408 39 L N 0.879 122.102 121.223 0.000 0.000 2.026 39 L HA -0.325 4.015 4.340 0.000 0.000 0.231 39 L C 2.986 179.881 176.870 0.042 0.000 1.095 39 L CA 2.506 57.352 54.840 0.009 0.000 0.810 39 L CB -1.406 40.646 42.059 -0.012 0.000 0.909 39 L HN 0.346 nan 8.230 nan 0.000 0.444 40 A N -0.647 122.201 122.820 0.047 0.000 1.903 40 A HA -0.269 4.051 4.320 0.000 0.000 0.219 40 A C 2.427 180.113 177.584 0.171 0.000 1.191 40 A CA 2.620 54.722 52.037 0.108 0.000 0.638 40 A CB -0.778 18.292 19.000 0.117 0.000 0.823 40 A HN 0.574 nan 8.150 nan 0.000 0.451 41 A N -0.713 122.200 122.820 0.155 0.000 1.897 41 A HA 0.263 4.583 4.320 0.000 0.000 0.215 41 A C 2.485 180.263 177.584 0.323 0.000 1.181 41 A CA 1.916 54.090 52.037 0.230 0.000 0.620 41 A CB -0.917 18.131 19.000 0.081 0.000 0.821 41 A HN 1.115 nan 8.150 nan 0.000 0.443 42 A N -0.280 122.608 122.820 0.113 0.000 1.968 42 A HA -0.085 4.235 4.320 0.000 0.000 0.217 42 A C 1.798 179.399 177.584 0.029 0.000 1.169 42 A CA 1.428 53.407 52.037 -0.096 0.000 0.638 42 A CB -0.380 18.529 19.000 -0.151 0.000 0.812 42 A HN 0.602 nan 8.150 nan 0.000 0.446 43 E N -0.148 120.108 120.200 0.094 0.000 2.481 43 E HA -0.035 4.315 4.350 0.000 0.000 0.195 43 E C 0.045 176.724 176.600 0.133 0.000 1.047 43 E CA -0.270 56.184 56.400 0.090 0.000 0.867 43 E CB 0.046 29.785 29.700 0.066 0.000 0.858 43 E HN 0.434 nan 8.360 nan 0.000 0.513 44 N N 0.765 119.600 118.700 0.224 0.000 2.426 44 N HA 0.000 4.740 4.740 0.000 0.000 0.257 44 N C 0.082 175.672 175.510 0.133 0.000 1.002 44 N CA -0.038 53.115 53.050 0.173 0.000 0.942 44 N CB 1.333 39.952 38.487 0.220 0.000 1.112 44 N HN -0.107 nan 8.380 nan 0.000 0.499 45 S N 2.018 117.731 115.700 0.022 0.000 2.660 45 S HA 0.172 4.642 4.470 0.000 0.000 0.227 45 S C 1.229 175.759 174.600 -0.116 0.000 0.948 45 S CA -0.067 58.140 58.200 0.013 0.000 0.948 45 S CB 0.069 63.277 63.200 0.013 0.000 0.779 45 S HN 0.506 nan 8.310 nan 0.000 0.487 46 A N 0.432 123.076 122.820 -0.294 0.000 2.169 46 A HA 0.453 4.774 4.320 0.000 0.000 0.212 46 A C 0.112 177.400 177.584 -0.493 0.000 1.153 46 A CA 0.050 51.824 52.037 -0.439 0.000 0.756 46 A CB -0.316 18.327 19.000 -0.595 0.000 0.813 46 A HN 0.525 nan 8.150 nan 0.000 0.471 47 F N -0.508 119.346 119.950 -0.159 0.000 2.425 47 F HA 0.559 5.086 4.527 0.000 0.000 0.331 47 F C 0.153 175.607 175.800 -0.576 0.000 1.085 47 F CA -1.481 56.302 58.000 -0.361 0.000 1.028 47 F CB 1.076 39.826 39.000 -0.416 0.000 1.177 47 F HN -0.121 nan 8.300 nan 0.000 0.487 48 I N 3.036 123.407 120.570 -0.333 0.000 2.315 48 I HA 0.226 4.396 4.170 0.000 0.000 0.291 48 I C -0.717 175.081 176.117 -0.532 0.000 1.006 48 I CA -0.504 60.538 61.300 -0.430 0.000 1.265 48 I CB 0.570 38.328 38.000 -0.403 0.000 1.387 48 I HN 0.521 nan 8.210 nan 0.000 0.475 49 H N 4.883 123.827 119.070 -0.210 0.000 2.467 49 H HA 0.491 5.047 4.556 0.000 0.000 0.326 49 H C -0.723 174.414 175.328 -0.319 0.000 1.094 49 H CA -0.529 55.411 56.048 -0.180 0.000 1.253 49 H CB 0.757 30.489 29.762 -0.049 0.000 1.439 49 H HN 0.427 nan 8.280 nan 0.000 0.479 50 H N 1.745 120.917 119.070 0.171 0.000 2.609 50 H HA 0.291 4.847 4.556 0.000 0.000 0.344 50 H C -0.274 175.119 175.328 0.108 0.000 1.040 50 H CA -0.726 55.392 56.048 0.116 0.000 1.216 50 H CB 1.735 31.536 29.762 0.066 0.000 1.529 50 H HN 0.763 nan 8.280 nan 0.000 0.519 51 T N 0.190 114.876 114.554 0.220 0.000 2.888 51 T HA 0.496 4.846 4.350 0.000 0.000 0.284 51 T C -0.550 174.281 174.700 0.219 0.000 1.017 51 T CA -0.728 61.484 62.100 0.187 0.000 1.022 51 T CB 2.414 71.377 68.868 0.159 0.000 1.013 51 T HN 0.682 nan 8.240 nan 0.000 0.465 52 H N 1.372 120.467 119.070 0.042 0.000 3.085 52 H HA 0.377 4.933 4.556 0.000 0.000 0.356 52 H C 0.018 175.311 175.328 -0.058 0.000 1.178 52 H CA -1.711 54.294 56.048 -0.073 0.000 1.214 52 H CB 0.999 30.650 29.762 -0.186 0.000 1.881 52 H HN 0.601 nan 8.280 nan 0.000 0.538 53 F N 0.244 119.965 119.950 -0.382 0.000 2.456 53 F HA 0.204 4.731 4.527 0.000 0.000 0.298 53 F C 0.439 176.072 175.800 -0.279 0.000 1.104 53 F CA -0.140 57.710 58.000 -0.250 0.000 1.435 53 F CB 0.134 39.042 39.000 -0.153 0.000 1.078 53 F HN 0.314 nan 8.300 nan 0.000 0.546 54 D N 1.244 121.121 120.400 -0.872 0.000 2.274 54 D HA 0.118 4.758 4.640 0.000 0.000 0.239 54 D C 0.548 176.763 176.300 -0.143 0.000 1.104 54 D CA -0.077 53.710 54.000 -0.355 0.000 0.840 54 D CB 1.484 42.049 40.800 -0.392 0.000 1.100 54 D HN 0.201 nan 8.370 nan 0.000 0.477 55 E N 2.184 122.382 120.200 -0.003 0.000 2.285 55 E HA -0.025 4.325 4.350 0.000 0.000 0.194 55 E C 1.715 178.361 176.600 0.076 0.000 0.997 55 E CA 0.424 56.851 56.400 0.046 0.000 0.845 55 E CB 0.308 30.050 29.700 0.069 0.000 0.782 55 E HN 0.402 nan 8.360 nan 0.000 0.491 56 R N -0.080 120.478 120.500 0.098 0.000 2.062 56 R HA -0.048 4.292 4.340 0.000 0.000 0.226 56 R C 2.242 178.675 176.300 0.223 0.000 1.125 56 R CA 1.407 57.600 56.100 0.155 0.000 0.966 56 R CB -0.436 29.960 30.300 0.161 0.000 0.861 56 R HN 0.248 nan 8.270 nan 0.000 0.433 57 G N 1.575 110.469 108.800 0.157 0.000 2.446 57 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 57 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 57 G C 1.378 176.361 174.900 0.138 0.000 1.168 57 G CA 0.877 46.067 45.100 0.151 0.000 0.771 57 G HN 0.346 nan 8.290 nan 0.000 0.551 58 L N 1.206 122.520 121.223 0.152 0.000 2.127 58 L HA 0.099 4.439 4.340 0.000 0.000 0.211 58 L C 2.805 179.690 176.870 0.024 0.000 1.089 58 L CA 2.073 56.964 54.840 0.085 0.000 0.757 58 L CB -0.563 41.550 42.059 0.090 0.000 0.899 58 L HN 0.197 nan 8.230 nan 0.000 0.434 59 G N -1.695 107.119 108.800 0.023 0.000 2.421 59 G HA2 -0.312 3.648 3.960 0.000 0.000 0.216 59 G HA3 -0.312 3.648 3.960 0.000 0.000 0.216 59 G C 1.183 176.002 174.900 -0.134 0.000 1.171 59 G CA 1.129 46.187 45.100 -0.070 0.000 0.775 59 G HN 0.566 nan 8.290 nan 0.000 0.543 60 H N -0.896 118.132 119.070 -0.070 0.000 2.470 60 H HA 0.126 4.682 4.556 0.000 0.000 0.289 60 H C 2.210 177.454 175.328 -0.140 0.000 1.033 60 H CA 0.612 56.603 56.048 -0.095 0.000 1.331 60 H CB 0.085 29.789 29.762 -0.096 0.000 1.414 60 H HN 0.273 nan 8.280 nan 0.000 0.545 61 L N 0.713 121.909 121.223 -0.045 0.000 2.012 61 L HA -0.134 4.207 4.340 0.000 0.000 0.210 61 L C 2.312 179.081 176.870 -0.168 0.000 1.073 61 L CA 1.916 56.663 54.840 -0.155 0.000 0.748 61 L CB -1.013 40.942 42.059 -0.174 0.000 0.891 61 L HN 0.240 nan 8.230 nan 0.000 0.431 62 A N -0.690 122.059 122.820 -0.117 0.000 1.877 62 A HA -0.212 4.108 4.320 0.000 0.000 0.216 62 A C 2.256 179.768 177.584 -0.119 0.000 1.186 62 A CA 1.874 53.846 52.037 -0.107 0.000 0.620 62 A CB -1.110 17.849 19.000 -0.067 0.000 0.822 62 A HN 0.481 nan 8.150 nan 0.000 0.443 63 L N 0.140 121.293 121.223 -0.116 0.000 1.991 63 L HA -0.191 4.150 4.340 0.000 0.000 0.221 63 L C 2.501 179.315 176.870 -0.092 0.000 1.079 63 L CA 2.687 57.468 54.840 -0.100 0.000 0.778 63 L CB -1.164 40.829 42.059 -0.110 0.000 0.893 63 L HN 0.348 nan 8.230 nan 0.000 0.437 64 G N -0.948 107.781 108.800 -0.119 0.000 2.440 64 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 64 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 64 G C 1.595 176.365 174.900 -0.218 0.000 1.154 64 G CA 1.089 46.092 45.100 -0.162 0.000 0.767 64 G HN 0.466 nan 8.290 nan 0.000 0.552 65 L N 0.599 121.667 121.223 -0.257 0.000 2.079 65 L HA -0.063 4.278 4.340 0.000 0.000 0.210 65 L C 3.285 180.033 176.870 -0.203 0.000 1.081 65 L CA 1.078 55.729 54.840 -0.315 0.000 0.752 65 L CB -0.339 41.442 42.059 -0.463 0.000 0.896 65 L HN 0.315 nan 8.230 nan 0.000 0.433 66 A N -0.433 122.307 122.820 -0.134 0.000 2.021 66 A HA -0.139 4.181 4.320 0.000 0.000 0.216 66 A C 2.403 179.954 177.584 -0.056 0.000 1.163 66 A CA 1.054 53.050 52.037 -0.069 0.000 0.676 66 A CB -0.230 18.743 19.000 -0.045 0.000 0.818 66 A HN 0.288 nan 8.150 nan 0.000 0.453 67 K N -0.239 120.115 120.400 -0.076 0.000 2.062 67 K HA -0.034 4.286 4.320 0.000 0.000 0.205 67 K C 1.741 178.300 176.600 -0.069 0.000 1.051 67 K CA 1.442 57.709 56.287 -0.033 0.000 0.941 67 K CB -0.129 32.366 32.500 -0.008 0.000 0.719 67 K HN 0.217 nan 8.250 nan 0.000 0.440 68 V N 1.000 120.783 119.914 -0.218 0.000 2.302 68 V HA -0.192 3.928 4.120 0.000 0.000 0.243 68 V C 2.373 178.410 176.094 -0.096 0.000 1.036 68 V CA 2.076 64.197 62.300 -0.298 0.000 1.020 68 V CB 0.015 31.564 31.823 -0.458 0.000 0.657 68 V HN 0.559 nan 8.190 nan 0.000 0.453 69 S N -0.994 114.661 115.700 -0.075 0.000 2.406 69 S HA -0.165 4.306 4.470 0.000 0.000 0.228 69 S C 1.250 175.857 174.600 0.012 0.000 1.020 69 S CA 0.902 59.095 58.200 -0.010 0.000 0.965 69 S CB -0.203 63.009 63.200 0.021 0.000 0.798 69 S HN 0.575 nan 8.310 nan 0.000 0.488 70 K N 0.163 120.567 120.400 0.007 0.000 3.407 70 K HA -0.187 4.133 4.320 0.000 0.000 0.312 70 K C -0.582 176.029 176.600 0.018 0.000 1.302 70 K CA 1.177 57.473 56.287 0.015 0.000 0.931 70 K CB -2.162 30.350 32.500 0.020 0.000 1.257 70 K HN 0.728 nan 8.250 nan 0.000 0.454 71 Q N 1.372 121.191 119.800 0.031 0.000 2.221 71 Q HA 0.349 4.689 4.340 0.000 0.000 0.242 71 Q C -2.298 173.732 176.000 0.049 0.000 0.940 71 Q CA -2.047 53.785 55.803 0.048 0.000 0.896 71 Q CB 0.740 29.525 28.738 0.078 0.000 1.226 71 Q HN -0.015 nan 8.270 nan 0.000 0.463 72 P HA 0.034 nan 4.420 nan 0.000 0.271 72 P C -0.924 176.423 177.300 0.078 0.000 1.220 72 P CA 0.057 63.190 63.100 0.056 0.000 0.768 72 P CB 0.739 32.475 31.700 0.060 0.000 0.848 73 V N 3.204 123.150 119.914 0.055 0.000 2.513 73 V HA 0.608 4.728 4.120 0.000 0.000 0.299 73 V C 0.551 176.666 176.094 0.035 0.000 1.035 73 V CA -0.800 61.539 62.300 0.065 0.000 0.889 73 V CB 1.499 33.338 31.823 0.028 0.000 0.988 73 V HN 0.728 nan 8.190 nan 0.000 0.440 74 A N 4.317 127.151 122.820 0.024 0.000 2.312 74 A HA 0.907 5.227 4.320 0.000 0.000 0.328 74 A C -0.725 176.847 177.584 -0.019 0.000 1.158 74 A CA -0.530 51.496 52.037 -0.017 0.000 0.821 74 A CB 1.444 20.393 19.000 -0.085 0.000 1.170 74 A HN 0.710 nan 8.150 nan 0.000 0.490 75 V N 2.068 121.980 119.914 -0.004 0.000 2.735 75 V HA 0.522 4.642 4.120 0.000 0.000 0.310 75 V C -0.597 175.516 176.094 0.032 0.000 1.061 75 V CA -0.254 62.056 62.300 0.017 0.000 0.913 75 V CB 1.712 33.549 31.823 0.023 0.000 1.005 75 V HN 0.766 nan 8.190 nan 0.000 0.428 76 I N 4.295 124.890 120.570 0.042 0.000 2.466 76 I HA 0.675 4.845 4.170 0.000 0.000 0.289 76 I C -0.620 175.544 176.117 0.079 0.000 1.026 76 I CA -0.761 60.577 61.300 0.063 0.000 1.078 76 I CB 2.104 40.132 38.000 0.048 0.000 1.249 76 I HN 0.582 nan 8.210 nan 0.000 0.429 77 V N 2.062 122.034 119.914 0.098 0.000 3.040 77 V HA 0.637 4.757 4.120 0.000 0.000 0.312 77 V C -0.270 175.887 176.094 0.106 0.000 1.115 77 V CA -0.418 61.942 62.300 0.100 0.000 0.998 77 V CB 1.846 33.733 31.823 0.107 0.000 1.042 77 V HN 0.677 nan 8.190 nan 0.000 0.433 78 T N 1.651 116.262 114.554 0.095 0.000 2.788 78 T HA 0.463 4.813 4.350 0.000 0.000 0.280 78 T C 0.579 175.334 174.700 0.092 0.000 0.984 78 T CA 0.427 62.583 62.100 0.093 0.000 0.972 78 T CB 0.858 69.775 68.868 0.081 0.000 1.039 78 T HN 1.723 nan 8.240 nan 0.000 0.530 79 S N 0.778 116.529 115.700 0.085 0.000 2.589 79 S HA 0.614 5.084 4.470 0.000 0.000 0.265 79 S C 0.787 175.421 174.600 0.057 0.000 1.342 79 S CA 0.089 58.331 58.200 0.069 0.000 1.005 79 S CB 0.098 63.334 63.200 0.060 0.000 0.909 79 S HN 1.696 nan 8.310 nan 0.000 0.555 80 G N 0.989 109.813 108.800 0.041 0.000 2.472 80 G HA2 -0.163 3.797 3.960 0.000 0.000 0.205 80 G HA3 -0.163 3.797 3.960 0.000 0.000 0.205 80 G C 0.633 175.556 174.900 0.038 0.000 1.270 80 G CA 0.644 45.764 45.100 0.034 0.000 0.974 80 G HN 1.836 nan 8.290 nan 0.000 0.542 81 T N -0.870 113.710 114.554 0.043 0.000 2.822 81 T HA 0.101 4.451 4.350 0.000 0.000 0.270 81 T C 2.664 177.407 174.700 0.073 0.000 1.064 81 T CA 3.044 65.176 62.100 0.054 0.000 1.131 81 T CB -0.763 68.139 68.868 0.056 0.000 0.858 81 T HN 2.231 nan 8.240 nan 0.000 0.483 82 A N 1.796 124.660 122.820 0.073 0.000 1.894 82 A HA -0.161 4.159 4.320 0.000 0.000 0.220 82 A C 2.678 180.325 177.584 0.105 0.000 1.237 82 A CA 2.710 54.798 52.037 0.086 0.000 0.660 82 A CB -1.496 17.553 19.000 0.082 0.000 0.835 82 A HN 0.492 nan 8.150 nan 0.000 0.461 83 V N -0.320 119.653 119.914 0.098 0.000 2.233 83 V HA -0.261 3.859 4.120 0.000 0.000 0.247 83 V C 3.045 179.251 176.094 0.187 0.000 1.050 83 V CA 2.245 64.627 62.300 0.136 0.000 1.010 83 V CB -1.620 30.230 31.823 0.045 0.000 0.637 83 V HN 0.707 nan 8.190 nan 0.000 0.444 84 A N 0.263 123.142 122.820 0.098 0.000 1.997 84 A HA -0.293 4.027 4.320 0.000 0.000 0.221 84 A C 2.044 179.753 177.584 0.207 0.000 1.172 84 A CA 2.183 54.302 52.037 0.138 0.000 0.645 84 A CB -0.807 18.241 19.000 0.079 0.000 0.813 84 A HN 0.609 nan 8.150 nan 0.000 0.454 85 N N -0.272 118.524 118.700 0.160 0.000 2.453 85 N HA -0.016 4.724 4.740 0.000 0.000 0.183 85 N C 1.300 176.883 175.510 0.123 0.000 1.041 85 N CA 0.809 53.945 53.050 0.143 0.000 0.900 85 N CB -0.226 38.330 38.487 0.116 0.000 0.961 85 N HN 0.570 nan 8.380 nan 0.000 0.443 86 L N -0.482 120.804 121.223 0.104 0.000 2.554 86 L HA -0.039 4.301 4.340 0.000 0.000 0.226 86 L C 1.915 178.707 176.870 -0.130 0.000 1.137 86 L CA 0.103 54.930 54.840 -0.022 0.000 0.863 86 L CB -0.344 41.687 42.059 -0.046 0.000 0.985 86 L HN 0.060 nan 8.230 nan 0.000 0.451 87 Y N 1.789 121.984 120.300 -0.174 0.000 2.097 87 Y HA -0.138 4.412 4.550 0.000 0.000 0.282 87 Y C -0.145 175.597 175.900 -0.263 0.000 1.152 87 Y CA 0.864 58.791 58.100 -0.288 0.000 1.136 87 Y CB -1.582 36.858 38.460 -0.033 0.000 0.975 87 Y HN 0.139 nan 8.280 nan 0.000 0.498 88 P HA -0.184 nan 4.420 nan 0.000 0.211 88 P C 1.692 178.858 177.300 -0.223 0.000 1.179 88 P CA 2.682 65.727 63.100 -0.092 0.000 0.910 88 P CB -0.365 31.388 31.700 0.088 0.000 0.785 89 A N -0.534 122.013 122.820 -0.456 0.000 1.915 89 A HA -0.262 4.058 4.320 0.000 0.000 0.220 89 A C 2.207 179.611 177.584 -0.299 0.000 1.198 89 A CA 2.273 53.969 52.037 -0.567 0.000 0.647 89 A CB -1.871 16.773 19.000 -0.592 0.000 0.825 89 A HN 0.219 nan 8.150 nan 0.000 0.456 90 L N -0.493 120.571 121.223 -0.265 0.000 2.083 90 L HA -0.071 4.269 4.340 0.000 0.000 0.209 90 L C 2.193 178.980 176.870 -0.138 0.000 1.083 90 L CA 1.816 56.518 54.840 -0.231 0.000 0.752 90 L CB -0.341 41.474 42.059 -0.407 0.000 0.899 90 L HN 0.442 nan 8.230 nan 0.000 0.433 91 I N -0.587 119.884 120.570 -0.165 0.000 2.439 91 I HA -0.189 3.981 4.170 0.000 0.000 0.251 91 I C 2.385 178.467 176.117 -0.059 0.000 1.139 91 I CA 1.069 62.297 61.300 -0.120 0.000 1.438 91 I CB -0.173 37.634 38.000 -0.321 0.000 1.085 91 I HN 0.357 nan 8.210 nan 0.000 0.427 92 E N 1.655 121.801 120.200 -0.090 0.000 2.107 92 E HA -0.152 4.198 4.350 0.000 0.000 0.191 92 E C 2.118 178.696 176.600 -0.036 0.000 0.982 92 E CA 1.533 57.904 56.400 -0.048 0.000 0.809 92 E CB -0.112 29.565 29.700 -0.039 0.000 0.756 92 E HN 0.370 nan 8.360 nan 0.000 0.459 93 A N 0.322 123.105 122.820 -0.061 0.000 1.969 93 A HA 0.023 4.343 4.320 0.000 0.000 0.218 93 A C 2.413 179.987 177.584 -0.018 0.000 1.169 93 A CA 1.438 53.450 52.037 -0.042 0.000 0.635 93 A CB -1.221 17.741 19.000 -0.064 0.000 0.810 93 A HN 0.406 nan 8.150 nan 0.000 0.445 94 G N -0.777 108.019 108.800 -0.008 0.000 2.509 94 G HA2 -0.016 3.944 3.960 0.000 0.000 0.218 94 G HA3 -0.016 3.944 3.960 0.000 0.000 0.218 94 G C 1.415 176.319 174.900 0.007 0.000 1.124 94 G CA 0.909 46.017 45.100 0.013 0.000 0.776 94 G HN 0.440 nan 8.290 nan 0.000 0.547 95 L N 0.188 121.415 121.223 0.007 0.000 2.286 95 L HA 0.070 4.410 4.340 0.000 0.000 0.203 95 L C 3.097 179.969 176.870 0.003 0.000 1.068 95 L CA 1.492 56.334 54.840 0.003 0.000 0.811 95 L CB -0.215 41.847 42.059 0.005 0.000 0.989 95 L HN 0.315 nan 8.230 nan 0.000 0.467 96 T N -4.163 110.395 114.554 0.007 0.000 3.031 96 T HA 0.234 4.584 4.350 0.000 0.000 0.254 96 T C 1.435 176.147 174.700 0.022 0.000 1.060 96 T CA 0.771 62.880 62.100 0.015 0.000 1.135 96 T CB 0.751 69.633 68.868 0.023 0.000 0.896 96 T HN 0.412 nan 8.240 nan 0.000 0.472 97 G N 0.873 109.684 108.800 0.018 0.000 2.284 97 G HA2 -0.167 3.793 3.960 0.000 0.000 0.201 97 G HA3 -0.167 3.793 3.960 0.000 0.000 0.201 97 G C -0.208 174.703 174.900 0.019 0.000 0.998 97 G CA -0.295 44.822 45.100 0.027 0.000 0.651 97 G HN 0.547 nan 8.290 nan 0.000 0.489 98 E N 1.408 121.614 120.200 0.010 0.000 2.760 98 E HA 0.269 4.619 4.350 0.000 0.000 0.268 98 E C 0.367 176.964 176.600 -0.004 0.000 0.935 98 E CA 0.839 57.239 56.400 -0.000 0.000 0.960 98 E CB 0.327 30.017 29.700 -0.015 0.000 0.931 98 E HN 0.425 nan 8.360 nan 0.000 0.483 99 K N 3.200 123.601 120.400 0.001 0.000 2.250 99 K HA 0.261 4.581 4.320 0.000 0.000 0.280 99 K C -0.570 176.031 176.600 0.003 0.000 1.098 99 K CA -0.128 56.162 56.287 0.006 0.000 0.916 99 K CB 0.450 32.958 32.500 0.014 0.000 1.209 99 K HN 0.310 nan 8.250 nan 0.000 0.461 100 L N 4.971 126.190 121.223 -0.005 0.000 2.296 100 L HA 0.432 4.772 4.340 0.000 0.000 0.286 100 L C -0.385 176.491 176.870 0.011 0.000 1.023 100 L CA -0.985 53.849 54.840 -0.011 0.000 0.812 100 L CB 1.001 43.033 42.059 -0.045 0.000 1.223 100 L HN 0.400 nan 8.230 nan 0.000 0.421 101 I N 5.502 126.085 120.570 0.021 0.000 2.330 101 I HA 0.334 4.504 4.170 0.000 0.000 0.289 101 I C -0.125 176.021 176.117 0.048 0.000 1.001 101 I CA -0.408 60.915 61.300 0.038 0.000 1.193 101 I CB 1.455 39.475 38.000 0.034 0.000 1.345 101 I HN 0.468 nan 8.210 nan 0.000 0.461 102 L N 7.319 128.595 121.223 0.089 0.000 2.313 102 L HA 0.467 4.807 4.340 0.000 0.000 0.273 102 L C -0.390 176.580 176.870 0.166 0.000 1.028 102 L CA -0.408 54.510 54.840 0.131 0.000 0.871 102 L CB 0.859 43.026 42.059 0.181 0.000 1.242 102 L HN 0.357 nan 8.230 nan 0.000 0.434 103 L N 3.644 124.939 121.223 0.119 0.000 2.259 103 L HA 0.357 4.698 4.340 0.000 0.000 0.288 103 L C 0.497 177.453 176.870 0.143 0.000 1.051 103 L CA -0.287 54.622 54.840 0.114 0.000 0.824 103 L CB 0.938 43.055 42.059 0.098 0.000 1.206 103 L HN 0.553 nan 8.230 nan 0.000 0.429 104 T N 0.302 114.949 114.554 0.154 0.000 2.756 104 T HA 0.691 5.041 4.350 0.000 0.000 0.290 104 T C 0.261 175.046 174.700 0.142 0.000 0.985 104 T CA -0.762 61.441 62.100 0.173 0.000 0.955 104 T CB 1.595 70.617 68.868 0.257 0.000 0.930 104 T HN 0.553 nan 8.240 nan 0.000 0.451 105 A N 3.184 126.103 122.820 0.165 0.000 2.483 105 A HA 0.497 4.817 4.320 0.000 0.000 0.238 105 A C 0.265 177.927 177.584 0.130 0.000 1.070 105 A CA -0.187 51.971 52.037 0.201 0.000 0.770 105 A CB 0.018 19.140 19.000 0.203 0.000 1.008 105 A HN 0.933 nan 8.150 nan 0.000 0.497 106 D N -0.522 119.944 120.400 0.110 0.000 2.552 106 D HA 0.501 5.141 4.640 0.000 0.000 0.239 106 D C -0.244 176.090 176.300 0.055 0.000 1.139 106 D CA -0.601 53.431 54.000 0.054 0.000 0.914 106 D CB 1.077 41.879 40.800 0.003 0.000 1.461 106 D HN 0.382 nan 8.370 nan 0.000 0.462 107 R N 0.988 121.508 120.500 0.033 0.000 2.726 107 R HA 0.446 4.786 4.340 0.000 0.000 0.272 107 R C -1.913 174.381 176.300 -0.010 0.000 1.097 107 R CA -1.487 54.626 56.100 0.023 0.000 1.198 107 R CB -0.842 29.468 30.300 0.017 0.000 1.114 107 R HN 0.385 nan 8.270 nan 0.000 0.550 108 P HA 0.257 nan 4.420 nan 0.000 0.284 108 P C -1.957 175.320 177.300 -0.040 0.000 1.292 108 P CA -1.576 61.494 63.100 -0.050 0.000 0.800 108 P CB 0.211 31.877 31.700 -0.057 0.000 1.188 109 P HA -0.233 nan 4.420 nan 0.000 0.215 109 P C 1.247 178.531 177.300 -0.027 0.000 1.163 109 P CA 1.859 64.938 63.100 -0.036 0.000 0.894 109 P CB -0.267 31.408 31.700 -0.040 0.000 0.791 110 E N 0.115 120.298 120.200 -0.028 0.000 2.086 110 E HA -0.171 4.179 4.350 0.000 0.000 0.200 110 E C 1.740 178.331 176.600 -0.014 0.000 1.012 110 E CA 1.068 57.455 56.400 -0.021 0.000 0.812 110 E CB -1.338 28.349 29.700 -0.021 0.000 0.743 110 E HN 0.293 nan 8.360 nan 0.000 0.453 111 L N 1.031 122.247 121.223 -0.012 0.000 2.645 111 L HA 0.115 4.455 4.340 0.000 0.000 0.234 111 L C -0.132 176.735 176.870 -0.005 0.000 1.165 111 L CA -0.438 54.399 54.840 -0.006 0.000 0.944 111 L CB -0.117 41.942 42.059 -0.000 0.000 1.149 111 L HN 0.086 nan 8.230 nan 0.000 0.446 112 I N 0.020 120.585 120.570 -0.009 0.000 2.385 112 I HA 0.171 4.341 4.170 0.000 0.000 0.294 112 I C 0.559 176.672 176.117 -0.007 0.000 0.988 112 I CA -0.203 61.092 61.300 -0.009 0.000 1.265 112 I CB 1.062 39.055 38.000 -0.012 0.000 1.388 112 I HN 0.123 nan 8.210 nan 0.000 0.480 113 D N 3.402 123.799 120.400 -0.006 0.000 2.911 113 D HA -0.188 4.452 4.640 0.000 0.000 0.227 113 D C 0.716 177.014 176.300 -0.004 0.000 1.164 113 D CA 1.158 55.155 54.000 -0.005 0.000 0.782 113 D CB -1.153 39.644 40.800 -0.005 0.000 1.094 113 D HN 0.835 nan 8.370 nan 0.000 0.425 114 C N -3.010 116.288 119.300 -0.003 0.000 3.098 114 C HA 0.708 5.168 4.460 0.000 0.000 0.265 114 C C 1.688 176.678 174.990 -0.000 0.000 1.572 114 C CA 0.366 59.383 59.018 -0.002 0.000 1.788 114 C CB -0.053 27.685 27.740 -0.003 0.000 2.982 114 C HN 0.705 nan 8.230 nan 0.000 0.532 115 G N 1.319 110.119 108.800 0.001 0.000 2.160 115 G HA2 0.121 4.081 3.960 0.000 0.000 0.251 115 G HA3 0.121 4.081 3.960 0.000 0.000 0.251 115 G C 0.349 175.252 174.900 0.005 0.000 1.008 115 G CA 0.443 45.544 45.100 0.003 0.000 0.724 115 G HN 1.660 nan 8.290 nan 0.000 0.514 116 A N -0.354 122.469 122.820 0.005 0.000 2.425 116 A HA 0.544 4.864 4.320 0.000 0.000 0.242 116 A C 0.751 178.342 177.584 0.011 0.000 1.077 116 A CA 0.227 52.269 52.037 0.008 0.000 0.781 116 A CB 0.320 19.325 19.000 0.008 0.000 1.020 116 A HN 0.628 nan 8.150 nan 0.000 0.494 117 N N 0.605 119.314 118.700 0.014 0.000 2.514 117 N HA 0.075 4.815 4.740 0.000 0.000 0.277 117 N C -0.050 175.472 175.510 0.021 0.000 1.126 117 N CA 0.254 53.314 53.050 0.017 0.000 0.978 117 N CB 0.603 39.101 38.487 0.018 0.000 1.106 117 N HN 0.729 nan 8.380 nan 0.000 0.461 118 Q N -0.253 119.560 119.800 0.021 0.000 2.494 118 Q HA -0.223 4.117 4.340 0.000 0.000 0.266 118 Q C -1.289 174.725 176.000 0.023 0.000 1.053 118 Q CA 0.741 56.560 55.803 0.026 0.000 1.029 118 Q CB -1.239 27.519 28.738 0.034 0.000 1.423 118 Q HN 0.646 nan 8.270 nan 0.000 0.516 119 A N 1.080 123.910 122.820 0.016 0.000 2.431 119 A HA 0.648 4.968 4.320 0.000 0.000 0.318 119 A C -0.008 177.578 177.584 0.004 0.000 1.330 119 A CA -0.617 51.427 52.037 0.011 0.000 0.804 119 A CB 0.269 19.274 19.000 0.009 0.000 1.135 119 A HN 0.433 nan 8.150 nan 0.000 0.483 120 I N -1.703 118.866 120.570 -0.001 0.000 3.449 120 I HA 0.669 4.839 4.170 0.000 0.000 0.294 120 I C -0.081 176.025 176.117 -0.019 0.000 1.163 120 I CA -1.495 59.798 61.300 -0.011 0.000 1.010 120 I CB 1.474 39.465 38.000 -0.015 0.000 1.307 120 I HN 0.360 nan 8.210 nan 0.000 0.518 121 R N 1.337 121.818 120.500 -0.030 0.000 2.287 121 R HA 0.250 4.590 4.340 0.000 0.000 0.327 121 R C 0.261 176.527 176.300 -0.057 0.000 1.109 121 R CA -0.098 55.981 56.100 -0.035 0.000 1.013 121 R CB 1.067 31.349 30.300 -0.031 0.000 1.126 121 R HN 0.684 nan 8.270 nan 0.000 0.503 122 Q N 1.749 121.523 119.800 -0.044 0.000 2.165 122 Q HA 0.053 4.394 4.340 0.000 0.000 0.197 122 Q C -1.565 174.434 176.000 -0.002 0.000 0.952 122 Q CA 0.209 55.983 55.803 -0.048 0.000 0.848 122 Q CB -0.292 28.439 28.738 -0.010 0.000 0.931 122 Q HN 0.370 nan 8.270 nan 0.000 0.470 123 P HA -0.039 nan 4.420 nan 0.000 0.260 123 P C 0.255 177.573 177.300 0.029 0.000 1.185 123 P CA 1.704 64.829 63.100 0.041 0.000 0.763 123 P CB 0.507 32.216 31.700 0.015 0.000 0.776 124 G N 3.371 112.214 108.800 0.071 0.000 2.199 124 G HA2 -0.386 3.574 3.960 0.000 0.000 0.254 124 G HA3 -0.386 3.574 3.960 0.000 0.000 0.254 124 G C 1.151 175.991 174.900 -0.100 0.000 0.982 124 G CA 0.351 45.464 45.100 0.021 0.000 0.632 124 G HN 0.457 nan 8.290 nan 0.000 0.529 125 M N -0.857 118.572 119.600 -0.285 0.000 2.192 125 M HA -0.073 4.407 4.480 0.000 0.000 0.256 125 M C 1.581 177.526 176.300 -0.592 0.000 1.076 125 M CA 1.812 56.804 55.300 -0.514 0.000 1.075 125 M CB -0.267 31.811 32.600 -0.870 0.000 1.368 125 M HN 0.316 nan 8.290 nan 0.000 0.406 126 F N -0.833 118.931 119.950 -0.311 0.000 2.664 126 F HA 0.422 4.949 4.527 0.000 0.000 0.303 126 F C 1.470 177.363 175.800 0.155 0.000 1.092 126 F CA -0.069 57.724 58.000 -0.345 0.000 1.305 126 F CB -1.241 37.549 39.000 -0.350 0.000 1.054 126 F HN 0.178 nan 8.300 nan 0.000 0.565 127 A N 0.856 123.811 122.820 0.226 0.000 5.324 127 A HA -0.416 3.904 4.320 0.000 0.000 0.337 127 A C 1.980 179.694 177.584 0.217 0.000 1.730 127 A CA 2.662 54.831 52.037 0.221 0.000 0.711 127 A CB -2.002 17.148 19.000 0.251 0.000 1.434 127 A HN 0.591 nan 8.150 nan 0.000 0.400 128 S N -1.079 114.717 115.700 0.160 0.000 2.603 128 S HA 0.072 4.542 4.470 0.000 0.000 0.220 128 S C 1.299 175.881 174.600 -0.031 0.000 0.967 128 S CA 0.992 59.204 58.200 0.021 0.000 0.920 128 S CB -0.537 62.617 63.200 -0.076 0.000 0.773 128 S HN 0.710 nan 8.310 nan 0.000 0.529 129 H N 2.085 121.242 119.070 0.146 0.000 2.428 129 H HA 0.159 4.715 4.556 0.000 0.000 0.296 129 H C -1.707 173.656 175.328 0.060 0.000 1.062 129 H CA 0.211 56.324 56.048 0.109 0.000 1.350 129 H CB -1.324 28.546 29.762 0.180 0.000 1.403 129 H HN 0.423 nan 8.280 nan 0.000 0.533 130 P HA 0.077 nan 4.420 nan 0.000 0.279 130 P C 0.728 178.041 177.300 0.021 0.000 1.239 130 P CA 0.175 63.335 63.100 0.100 0.000 0.789 130 P CB 1.129 32.933 31.700 0.175 0.000 0.933 131 T N 0.470 114.983 114.554 -0.069 0.000 2.720 131 T HA -0.107 4.243 4.350 0.000 0.000 0.268 131 T C 0.573 175.017 174.700 -0.427 0.000 1.037 131 T CA 1.596 63.544 62.100 -0.253 0.000 1.144 131 T CB -0.511 68.175 68.868 -0.304 0.000 0.864 131 T HN 0.486 nan 8.240 nan 0.000 0.444 132 H N 0.007 119.110 119.070 0.055 0.000 2.690 132 H HA 0.649 5.205 4.556 0.000 0.000 0.368 132 H C -0.819 174.572 175.328 0.106 0.000 1.150 132 H CA -0.746 55.340 56.048 0.064 0.000 1.174 132 H CB 1.912 31.686 29.762 0.021 0.000 1.684 132 H HN 0.087 nan 8.280 nan 0.000 0.538 133 S N 2.032 117.878 115.700 0.244 0.000 2.548 133 S HA 0.651 5.121 4.470 0.000 0.000 0.286 133 S C -0.107 174.568 174.600 0.124 0.000 1.098 133 S CA -0.787 57.536 58.200 0.205 0.000 0.930 133 S CB 1.761 65.108 63.200 0.244 0.000 1.070 133 S HN 0.423 nan 8.310 nan 0.000 0.480 134 I N 1.342 121.939 120.570 0.045 0.000 2.478 134 I HA 0.301 4.471 4.170 0.000 0.000 0.287 134 I C -0.286 175.816 176.117 -0.025 0.000 1.042 134 I CA -0.386 60.923 61.300 0.016 0.000 1.067 134 I CB 2.196 40.182 38.000 -0.024 0.000 1.233 134 I HN 0.494 nan 8.210 nan 0.000 0.431 135 S N 6.982 122.699 115.700 0.029 0.000 3.363 135 S HA 0.395 4.865 4.470 0.000 0.000 0.267 135 S C 0.171 174.831 174.600 0.099 0.000 1.288 135 S CA -0.551 57.666 58.200 0.028 0.000 0.948 135 S CB -0.407 62.823 63.200 0.049 0.000 1.397 135 S HN 0.331 nan 8.310 nan 0.000 0.493 136 L N 5.666 126.947 121.223 0.096 0.000 2.559 136 L HA 0.137 4.477 4.340 0.000 0.000 0.274 136 L C -1.471 175.510 176.870 0.186 0.000 1.205 136 L CA -1.199 53.778 54.840 0.229 0.000 0.907 136 L CB -0.101 42.091 42.059 0.223 0.000 1.153 136 L HN 0.278 nan 8.230 nan 0.000 0.490 137 P HA 0.003 nan 4.420 nan 0.000 0.274 137 P C -0.467 176.819 177.300 -0.023 0.000 1.260 137 P CA -0.684 62.464 63.100 0.079 0.000 0.793 137 P CB 0.490 32.209 31.700 0.033 0.000 1.048 138 R N 1.276 121.707 120.500 -0.115 0.000 2.488 138 R HA 0.035 4.375 4.340 0.000 0.000 0.317 138 R C -1.776 174.295 176.300 -0.381 0.000 0.941 138 R CA -0.854 55.114 56.100 -0.221 0.000 1.076 138 R CB -0.969 29.236 30.300 -0.157 0.000 0.917 138 R HN 0.333 nan 8.270 nan 0.000 0.407 139 P HA -0.049 nan 4.420 nan 0.000 0.257 139 P C -0.893 176.097 177.300 -0.517 0.000 1.189 139 P CA 0.496 62.783 63.100 -1.354 0.000 0.780 139 P CB 1.048 31.759 31.700 -1.649 0.000 0.772 140 T N 1.845 116.234 114.554 -0.274 0.000 2.903 140 T HA 0.164 4.514 4.350 0.000 0.000 0.299 140 T C 0.803 175.425 174.700 -0.129 0.000 1.093 140 T CA -0.534 61.491 62.100 -0.125 0.000 1.002 140 T CB 1.221 70.008 68.868 -0.136 0.000 1.127 140 T HN 0.242 nan 8.240 nan 0.000 0.488 141 Q N 1.142 120.609 119.800 -0.556 0.000 2.436 141 Q HA -0.035 4.305 4.340 0.000 0.000 0.209 141 Q C 0.369 176.311 176.000 -0.097 0.000 0.965 141 Q CA 1.230 56.670 55.803 -0.605 0.000 0.910 141 Q CB 0.088 28.379 28.738 -0.745 0.000 0.980 141 Q HN 0.698 nan 8.270 nan 0.000 0.491 142 D N -0.078 120.284 120.400 -0.063 0.000 2.349 142 D HA 0.077 4.717 4.640 0.000 0.000 0.224 142 D C -0.142 176.201 176.300 0.072 0.000 1.029 142 D CA 0.436 54.440 54.000 0.007 0.000 0.879 142 D CB 0.389 41.164 40.800 -0.042 0.000 0.906 142 D HN 0.123 nan 8.370 nan 0.000 0.528 143 I N 2.286 122.968 120.570 0.187 0.000 2.355 143 I HA 0.246 4.416 4.170 0.000 0.000 0.288 143 I C -2.268 174.179 176.117 0.550 0.000 0.999 143 I CA -2.489 58.955 61.300 0.241 0.000 1.163 143 I CB 1.787 39.888 38.000 0.167 0.000 1.316 143 I HN -0.290 nan 8.210 nan 0.000 0.454 144 P HA 0.054 nan 4.420 nan 0.000 0.271 144 P C 0.591 177.928 177.300 0.062 0.000 1.216 144 P CA -0.053 63.184 63.100 0.229 0.000 0.771 144 P CB 1.267 33.003 31.700 0.060 0.000 0.864 145 A N 5.544 128.009 122.820 -0.593 0.000 1.940 145 A HA -0.283 4.037 4.320 0.000 0.000 0.221 145 A C 2.185 179.345 177.584 -0.707 0.000 1.190 145 A CA 2.255 53.729 52.037 -0.938 0.000 0.647 145 A CB -1.083 16.946 19.000 -1.618 0.000 0.821 145 A HN 0.706 nan 8.150 nan 0.000 0.457 146 R N -1.964 118.108 120.500 -0.714 0.000 2.127 146 R HA -0.215 4.125 4.340 0.000 0.000 0.238 146 R C 2.055 178.057 176.300 -0.496 0.000 1.134 146 R CA 1.734 57.293 56.100 -0.902 0.000 0.975 146 R CB -0.768 29.109 30.300 -0.706 0.000 0.865 146 R HN 0.682 nan 8.270 nan 0.000 0.447 147 W N 1.825 122.918 121.300 -0.344 0.000 2.381 147 W HA -0.144 4.516 4.660 0.000 0.000 0.301 147 W C 1.914 178.278 176.519 -0.258 0.000 1.205 147 W CA 1.098 58.318 57.345 -0.209 0.000 1.285 147 W CB -0.221 29.192 29.460 -0.079 0.000 1.133 147 W HN 0.146 nan 8.180 nan 0.000 0.521 148 L N 0.814 121.922 121.223 -0.191 0.000 2.083 148 L HA -0.103 4.237 4.340 0.000 0.000 0.209 148 L C 2.299 178.801 176.870 -0.614 0.000 1.083 148 L CA 2.315 56.868 54.840 -0.478 0.000 0.752 148 L CB -1.271 40.546 42.059 -0.404 0.000 0.899 148 L HN 0.074 nan 8.230 nan 0.000 0.433 149 V N -1.950 117.586 119.914 -0.630 0.000 3.129 149 V HA -0.050 4.070 4.120 0.000 0.000 0.259 149 V C 2.144 177.970 176.094 -0.446 0.000 1.116 149 V CA 1.611 63.562 62.300 -0.581 0.000 1.127 149 V CB -0.044 31.305 31.823 -0.790 0.000 0.742 149 V HN 0.546 nan 8.190 nan 0.000 0.474 150 S N 0.587 115.999 115.700 -0.479 0.000 2.371 150 S HA -0.137 4.333 4.470 0.000 0.000 0.224 150 S C 1.888 176.314 174.600 -0.291 0.000 1.029 150 S CA 1.857 59.904 58.200 -0.255 0.000 0.978 150 S CB -0.419 62.678 63.200 -0.172 0.000 0.833 150 S HN 0.764 nan 8.310 nan 0.000 0.466 151 T N 2.850 117.070 114.554 -0.556 0.000 2.708 151 T HA 0.007 4.357 4.350 0.000 0.000 0.266 151 T C 1.758 176.286 174.700 -0.287 0.000 1.037 151 T CA 1.156 62.957 62.100 -0.498 0.000 1.146 151 T CB -0.449 67.892 68.868 -0.878 0.000 0.865 151 T HN 0.298 nan 8.240 nan 0.000 0.435 152 I N 1.251 121.639 120.570 -0.303 0.000 2.226 152 I HA -0.173 3.997 4.170 0.000 0.000 0.245 152 I C 2.349 178.354 176.117 -0.187 0.000 1.100 152 I CA 1.164 62.340 61.300 -0.207 0.000 1.374 152 I CB -0.390 37.514 38.000 -0.161 0.000 1.057 152 I HN 0.102 nan 8.210 nan 0.000 0.413 153 D N -0.213 120.134 120.400 -0.088 0.000 2.123 153 D HA -0.250 4.390 4.640 0.000 0.000 0.196 153 D C 1.981 178.238 176.300 -0.072 0.000 0.992 153 D CA 1.528 55.554 54.000 0.043 0.000 0.833 153 D CB -0.276 40.617 40.800 0.155 0.000 0.954 153 D HN 0.452 nan 8.370 nan 0.000 0.455 154 H N 0.512 119.485 119.070 -0.162 0.000 2.299 154 H HA 0.037 4.593 4.556 0.000 0.000 0.302 154 H C 1.865 177.029 175.328 -0.274 0.000 1.078 154 H CA 2.257 58.197 56.048 -0.180 0.000 1.323 154 H CB -0.421 29.230 29.762 -0.185 0.000 1.381 154 H HN 0.016 nan 8.280 nan 0.000 0.498 155 A N 1.571 124.147 122.820 -0.406 0.000 1.882 155 A HA -0.236 4.084 4.320 0.000 0.000 0.220 155 A C 2.541 179.863 177.584 -0.437 0.000 1.253 155 A CA 2.233 53.985 52.037 -0.474 0.000 0.664 155 A CB -1.162 17.702 19.000 -0.227 0.000 0.838 155 A HN 0.490 nan 8.150 nan 0.000 0.460 156 L N -1.139 119.842 121.223 -0.404 0.000 2.044 156 L HA -0.087 4.253 4.340 0.000 0.000 0.205 156 L C 2.882 179.547 176.870 -0.341 0.000 1.075 156 L CA 1.891 56.472 54.840 -0.432 0.000 0.747 156 L CB -1.943 39.603 42.059 -0.854 0.000 0.903 156 L HN 0.547 nan 8.230 nan 0.000 0.435 157 G N -0.334 108.271 108.800 -0.326 0.000 2.469 157 G HA2 -0.319 3.642 3.960 0.000 0.000 0.220 157 G HA3 -0.319 3.642 3.960 0.000 0.000 0.220 157 G C 1.449 176.301 174.900 -0.080 0.000 1.136 157 G CA 1.537 46.595 45.100 -0.071 0.000 0.759 157 G HN 0.490 nan 8.290 nan 0.000 0.562 158 T N -2.086 112.356 114.554 -0.187 0.000 3.105 158 T HA 0.399 4.749 4.350 0.000 0.000 0.253 158 T C 0.691 175.419 174.700 0.048 0.000 1.047 158 T CA -0.543 61.496 62.100 -0.102 0.000 0.944 158 T CB 0.137 68.870 68.868 -0.225 0.000 1.016 158 T HN 0.044 nan 8.240 nan 0.000 0.544 159 L N 2.697 123.944 121.223 0.039 0.000 2.485 159 L HA 0.330 4.670 4.340 0.000 0.000 0.279 159 L C 1.115 178.042 176.870 0.095 0.000 1.124 159 L CA 0.039 54.958 54.840 0.132 0.000 0.888 159 L CB 0.009 42.112 42.059 0.074 0.000 1.217 159 L HN 0.375 nan 8.230 nan 0.000 0.464 160 H N 4.168 123.255 119.070 0.027 0.000 2.482 160 H HA 0.516 5.072 4.556 0.000 0.000 0.286 160 H C 0.169 175.496 175.328 -0.001 0.000 1.017 160 H CA 0.609 56.663 56.048 0.009 0.000 1.322 160 H CB 0.472 30.235 29.762 0.003 0.000 1.426 160 H HN 0.729 nan 8.280 nan 0.000 0.546 161 A N -0.988 121.917 122.820 0.142 0.000 2.590 161 A HA 0.516 4.836 4.320 0.000 0.000 0.294 161 A C 0.176 177.779 177.584 0.032 0.000 1.046 161 A CA -0.284 51.806 52.037 0.089 0.000 0.684 161 A CB 0.323 19.409 19.000 0.143 0.000 1.279 161 A HN 0.796 nan 8.150 nan 0.000 0.415 162 G N -0.185 108.626 108.800 0.018 0.000 2.697 162 G HA2 0.395 4.355 3.960 0.000 0.000 0.240 162 G HA3 0.395 4.355 3.960 0.000 0.000 0.240 162 G C 0.718 175.619 174.900 0.002 0.000 1.346 162 G CA 0.179 45.280 45.100 0.001 0.000 0.887 162 G HN 2.397 nan 8.290 nan 0.000 0.569 163 G N -1.883 106.915 108.800 -0.003 0.000 2.451 163 G HA2 0.680 4.640 3.960 0.000 0.000 0.303 163 G HA3 0.680 4.640 3.960 0.000 0.000 0.303 163 G C -0.680 174.252 174.900 0.053 0.000 1.166 163 G CA 0.237 45.344 45.100 0.012 0.000 0.884 163 G HN 1.437 nan 8.290 nan 0.000 0.514 164 V N 1.228 121.194 119.914 0.087 0.000 2.483 164 V HA 0.260 4.380 4.120 0.000 0.000 0.297 164 V C -0.518 175.695 176.094 0.199 0.000 1.027 164 V CA -0.789 61.596 62.300 0.141 0.000 0.855 164 V CB 1.550 33.436 31.823 0.105 0.000 0.995 164 V HN 0.881 nan 8.190 nan 0.000 0.424 165 H N 6.181 125.328 119.070 0.128 0.000 2.761 165 H HA 0.454 5.010 4.556 0.000 0.000 0.284 165 H C -0.733 174.664 175.328 0.114 0.000 1.105 165 H CA -0.728 55.416 56.048 0.161 0.000 1.352 165 H CB 0.766 30.672 29.762 0.241 0.000 1.423 165 H HN 0.535 nan 8.280 nan 0.000 0.464 166 I N 4.569 125.134 120.570 -0.008 0.000 2.291 166 I HA 0.048 4.218 4.170 0.000 0.000 0.290 166 I C 0.108 176.076 176.117 -0.249 0.000 1.050 166 I CA -0.573 60.650 61.300 -0.127 0.000 1.245 166 I CB 0.577 38.561 38.000 -0.026 0.000 1.405 166 I HN 0.528 nan 8.210 nan 0.000 0.478 167 N N 5.657 124.117 118.700 -0.401 0.000 2.458 167 N HA 0.235 4.975 4.740 0.000 0.000 0.270 167 N C -0.970 174.479 175.510 -0.102 0.000 1.102 167 N CA -0.155 52.733 53.050 -0.270 0.000 0.967 167 N CB 0.737 39.055 38.487 -0.281 0.000 1.078 167 N HN 0.576 nan 8.380 nan 0.000 0.471 168 C N 6.150 125.415 119.300 -0.058 0.000 2.439 168 C HA 0.414 4.874 4.460 0.000 0.000 0.298 168 C C -2.276 172.538 174.990 -0.293 0.000 1.094 168 C CA -1.656 57.285 59.018 -0.127 0.000 1.609 168 C CB -0.069 27.684 27.740 0.022 0.000 1.723 168 C HN 0.638 nan 8.230 nan 0.000 0.423 169 P HA 0.198 nan 4.420 nan 0.000 0.266 169 P C -0.689 176.232 177.300 -0.632 0.000 1.195 169 P CA 0.578 63.505 63.100 -0.288 0.000 0.768 169 P CB 0.250 31.826 31.700 -0.206 0.000 0.838 170 F N 0.933 120.850 119.950 -0.055 0.000 2.581 170 F HA 0.561 5.088 4.527 0.000 0.000 0.311 170 F C 0.093 175.837 175.800 -0.094 0.000 1.113 170 F CA -0.952 56.984 58.000 -0.106 0.000 0.935 170 F CB 1.513 40.460 39.000 -0.089 0.000 1.232 170 F HN 0.164 nan 8.300 nan 0.000 0.445 171 A N 2.704 125.566 122.820 0.070 0.000 2.301 171 A HA 0.544 4.864 4.320 0.000 0.000 0.298 171 A C -0.010 177.588 177.584 0.023 0.000 1.185 171 A CA -0.708 51.341 52.037 0.020 0.000 0.830 171 A CB 0.233 19.219 19.000 -0.023 0.000 1.112 171 A HN 0.668 nan 8.150 nan 0.000 0.508 172 E N 3.405 123.613 120.200 0.014 0.000 2.437 172 E HA 0.157 4.507 4.350 0.000 0.000 0.263 172 E C -2.301 174.299 176.600 -0.000 0.000 1.030 172 E CA -1.202 55.198 56.400 0.001 0.000 0.934 172 E CB -0.398 29.314 29.700 0.020 0.000 0.943 172 E HN 0.409 nan 8.360 nan 0.000 0.444 173 P HA 0.082 nan 4.420 nan 0.000 0.268 173 P C 0.045 177.307 177.300 -0.064 0.000 1.205 173 P CA -0.041 63.058 63.100 -0.002 0.000 0.771 173 P CB 0.544 32.252 31.700 0.013 0.000 0.858 174 L N 0.521 121.658 121.223 -0.143 0.000 2.817 174 L HA 0.277 4.617 4.340 0.000 0.000 0.248 174 L C 0.362 176.907 176.870 -0.540 0.000 1.133 174 L CA -0.058 54.553 54.840 -0.382 0.000 0.935 174 L CB -0.268 41.471 42.059 -0.535 0.000 1.266 174 L HN 0.268 nan 8.230 nan 0.000 0.535 179 D N 0.506 120.925 120.400 0.032 0.000 2.494 179 D HA 0.447 5.087 4.640 0.000 0.000 0.259 179 D C -0.700 175.623 176.300 0.038 0.000 1.109 179 D CA 0.123 54.142 54.000 0.031 0.000 1.040 179 D CB 1.413 42.232 40.800 0.032 0.000 1.175 179 D HN 0.666 nan 8.370 nan 0.000 0.584 180 D N -0.684 119.738 120.400 0.036 0.000 2.460 180 D HA 0.122 4.762 4.640 0.000 0.000 0.229 180 D C 0.989 177.324 176.300 0.058 0.000 1.170 180 D CA 0.153 54.179 54.000 0.045 0.000 0.827 180 D CB 0.228 41.048 40.800 0.033 0.000 0.973 180 D HN 0.184 nan 8.370 nan 0.000 0.496 181 T N -0.498 114.092 114.554 0.060 0.000 2.569 181 T HA -0.130 4.220 4.350 0.000 0.000 0.263 181 T C 1.972 176.720 174.700 0.079 0.000 1.074 181 T CA 1.653 63.782 62.100 0.048 0.000 1.176 181 T CB -0.408 68.487 68.868 0.045 0.000 0.863 181 T HN 0.347 nan 8.240 nan 0.000 0.410 182 G N 0.488 109.400 108.800 0.186 0.000 2.848 182 G HA2 0.071 4.031 3.960 0.000 0.000 0.208 182 G HA3 0.071 4.031 3.960 0.000 0.000 0.208 182 G C 1.389 176.515 174.900 0.377 0.000 1.152 182 G CA 0.026 45.326 45.100 0.333 0.000 0.789 182 G HN 0.324 nan 8.290 nan 0.000 0.531 183 L N 1.829 123.188 121.223 0.227 0.000 1.994 183 L HA -0.075 4.265 4.340 0.000 0.000 0.208 183 L C 3.071 180.057 176.870 0.193 0.000 1.071 183 L CA 2.533 57.478 54.840 0.175 0.000 0.745 183 L CB -0.543 41.568 42.059 0.087 0.000 0.892 183 L HN 0.274 nan 8.230 nan 0.000 0.431 184 S N -2.079 113.732 115.700 0.184 0.000 2.447 184 S HA -0.247 4.223 4.470 0.000 0.000 0.233 184 S C 1.778 176.519 174.600 0.236 0.000 1.006 184 S CA 0.855 59.157 58.200 0.170 0.000 0.957 184 S CB -1.299 61.977 63.200 0.127 0.000 0.773 184 S HN 0.663 nan 8.310 nan 0.000 0.507 185 W N 2.170 123.538 121.300 0.114 0.000 2.407 185 W HA 0.010 4.670 4.660 0.000 0.000 0.305 185 W C 2.419 179.060 176.519 0.204 0.000 1.196 185 W CA 1.394 58.831 57.345 0.154 0.000 1.311 185 W CB -0.336 29.242 29.460 0.196 0.000 1.135 185 W HN 0.265 nan 8.180 nan 0.000 0.514 186 Q N -0.038 120.001 119.800 0.398 0.000 2.020 186 Q HA -0.293 4.047 4.340 0.000 0.000 0.202 186 Q C 2.144 178.331 176.000 0.313 0.000 0.982 186 Q CA 2.004 57.990 55.803 0.305 0.000 0.838 186 Q CB -0.625 28.245 28.738 0.220 0.000 0.899 186 Q HN 0.447 nan 8.270 nan 0.000 0.423 187 Q N -0.046 119.870 119.800 0.192 0.000 2.515 187 Q HA -0.096 4.244 4.340 0.000 0.000 0.215 187 Q C 1.492 177.603 176.000 0.186 0.000 0.983 187 Q CA 0.412 56.326 55.803 0.184 0.000 0.905 187 Q CB 0.133 28.939 28.738 0.112 0.000 0.961 187 Q HN 0.119 nan 8.270 nan 0.000 0.503 188 R N 0.027 120.596 120.500 0.115 0.000 2.323 188 R HA 0.024 4.364 4.340 0.000 0.000 0.198 188 R C 1.218 177.540 176.300 0.037 0.000 0.988 188 R CA 0.541 56.670 56.100 0.049 0.000 1.041 188 R CB 0.036 30.305 30.300 -0.052 0.000 0.926 188 R HN 0.341 nan 8.270 nan 0.000 0.476 189 L N -0.488 120.788 121.223 0.087 0.000 2.592 189 L HA 0.161 4.501 4.340 0.000 0.000 0.227 189 L C 1.203 178.301 176.870 0.380 0.000 1.127 189 L CA 0.168 55.044 54.840 0.060 0.000 0.884 189 L CB -0.281 41.617 42.059 -0.267 0.000 1.065 189 L HN 0.230 nan 8.230 nan 0.000 0.457 190 G N 2.148 111.151 108.800 0.340 0.000 2.574 190 G HA2 -0.433 3.527 3.960 0.000 0.000 0.282 190 G HA3 -0.433 3.527 3.960 0.000 0.000 0.282 190 G C 0.363 175.483 174.900 0.366 0.000 1.257 190 G CA 0.534 45.817 45.100 0.306 0.000 0.956 190 G HN 0.591 nan 8.290 nan 0.000 0.560 191 D N -0.678 119.884 120.400 0.270 0.000 2.378 191 D HA 0.039 4.680 4.640 0.000 0.000 0.227 191 D C 1.611 178.054 176.300 0.239 0.000 1.012 191 D CA 1.133 55.272 54.000 0.231 0.000 0.905 191 D CB -0.358 40.521 40.800 0.133 0.000 0.895 191 D HN 0.626 nan 8.370 nan 0.000 0.532 192 W N 0.634 121.990 121.300 0.094 0.000 2.308 192 W HA -0.218 4.442 4.660 0.000 0.000 0.301 192 W C 1.023 177.493 176.519 -0.081 0.000 1.220 192 W CA 1.333 58.681 57.345 0.005 0.000 1.240 192 W CB -0.427 29.083 29.460 0.084 0.000 1.142 192 W HN 0.044 nan 8.180 nan 0.000 0.521 193 W N -0.132 121.282 121.300 0.190 0.000 2.387 193 W HA -0.184 4.476 4.660 0.000 0.000 0.272 193 W C 2.074 178.497 176.519 -0.161 0.000 1.224 193 W CA 1.332 58.663 57.345 -0.024 0.000 1.210 193 W CB -0.624 28.901 29.460 0.109 0.000 1.125 193 W HN -0.065 nan 8.180 nan 0.000 0.572 194 Q N -0.755 119.082 119.800 0.061 0.000 2.319 194 Q HA 0.058 4.399 4.340 0.000 0.000 0.202 194 Q C 0.085 176.016 176.000 -0.115 0.000 0.896 194 Q CA 0.369 56.167 55.803 -0.009 0.000 0.942 194 Q CB 0.195 28.956 28.738 0.038 0.000 1.083 194 Q HN 0.055 nan 8.270 nan 0.000 0.510 195 D N -1.230 119.027 120.400 -0.239 0.000 2.487 195 D HA 0.105 4.745 4.640 0.000 0.000 0.262 195 D C 0.005 176.105 176.300 -0.333 0.000 1.130 195 D CA -0.321 53.534 54.000 -0.241 0.000 1.038 195 D CB 1.211 41.900 40.800 -0.184 0.000 1.142 195 D HN -0.221 nan 8.370 nan 0.000 0.575 196 D N -0.930 119.321 120.400 -0.248 0.000 2.423 196 D HA 0.165 4.805 4.640 0.000 0.000 0.208 196 D C -0.412 175.752 176.300 -0.226 0.000 1.068 196 D CA 0.428 54.298 54.000 -0.217 0.000 0.860 196 D CB 0.387 41.102 40.800 -0.142 0.000 0.992 196 D HN 0.165 nan 8.370 nan 0.000 0.504 197 K N 0.161 120.431 120.400 -0.218 0.000 2.295 197 K HA 0.506 4.826 4.320 0.000 0.000 0.239 197 K C -2.642 173.947 176.600 -0.018 0.000 0.991 197 K CA -2.127 54.084 56.287 -0.127 0.000 0.845 197 K CB 1.793 34.254 32.500 -0.065 0.000 1.197 197 K HN -0.222 nan 8.250 nan 0.000 0.441 198 P HA -0.148 nan 4.420 nan 0.000 0.267 198 P C 0.026 177.536 177.300 0.350 0.000 1.201 198 P CA -0.003 63.197 63.100 0.168 0.000 0.775 198 P CB 0.440 32.151 31.700 0.018 0.000 0.854 199 W N 3.431 124.834 121.300 0.172 0.000 2.353 199 W HA -0.075 4.585 4.660 0.000 0.000 0.319 199 W C -0.061 176.425 176.519 -0.055 0.000 1.207 199 W CA 1.049 58.342 57.345 -0.088 0.000 1.291 199 W CB -0.243 28.958 29.460 -0.432 0.000 1.159 199 W HN 0.153 nan 8.180 nan 0.000 0.478 200 L N 2.608 123.959 121.223 0.214 0.000 2.276 200 L HA 0.368 4.709 4.340 0.000 0.000 0.286 200 L C -0.249 176.679 176.870 0.097 0.000 1.024 200 L CA -0.479 54.417 54.840 0.094 0.000 0.826 200 L CB 1.096 43.239 42.059 0.140 0.000 1.211 200 L HN -0.141 nan 8.230 nan 0.000 0.422 201 R N 4.397 124.921 120.500 0.040 0.000 2.210 201 R HA 0.336 4.676 4.340 0.000 0.000 0.338 201 R C -0.502 175.827 176.300 0.048 0.000 1.062 201 R CA -0.129 56.000 56.100 0.048 0.000 0.902 201 R CB 0.602 30.908 30.300 0.010 0.000 1.050 201 R HN 0.581 nan 8.270 nan 0.000 0.461 202 E N 2.442 122.684 120.200 0.070 0.000 2.761 202 E HA 0.315 4.665 4.350 0.000 0.000 0.266 202 E C -1.398 175.228 176.600 0.042 0.000 1.097 202 E CA -0.359 56.075 56.400 0.057 0.000 0.773 202 E CB 1.167 30.916 29.700 0.082 0.000 1.453 202 E HN 0.716 nan 8.360 nan 0.000 0.388 203 A N 5.062 127.905 122.820 0.037 0.000 3.308 203 A HA 0.356 4.676 4.320 0.000 0.000 0.275 203 A C -2.080 175.521 177.584 0.030 0.000 0.950 203 A CA -0.917 51.138 52.037 0.031 0.000 0.987 203 A CB 0.004 19.026 19.000 0.037 0.000 1.146 203 A HN 0.495 nan 8.150 nan 0.000 0.488 204 P HA 0.179 nan 4.420 nan 0.000 0.271 204 P C -0.494 176.834 177.300 0.047 0.000 1.238 204 P CA 0.056 63.179 63.100 0.039 0.000 0.794 204 P CB 0.655 32.382 31.700 0.045 0.000 0.959 205 R N 0.114 120.643 120.500 0.048 0.000 2.532 205 R HA 0.530 4.870 4.340 0.000 0.000 0.295 205 R C -0.574 175.779 176.300 0.089 0.000 0.968 205 R CA -1.018 55.120 56.100 0.063 0.000 0.916 205 R CB 1.054 31.380 30.300 0.043 0.000 1.124 205 R HN 0.331 nan 8.270 nan 0.000 0.463 206 L N 2.571 123.884 121.223 0.151 0.000 2.276 206 L HA 0.372 4.712 4.340 0.000 0.000 0.286 206 L C -0.784 176.164 176.870 0.130 0.000 1.024 206 L CA 0.338 55.258 54.840 0.133 0.000 0.826 206 L CB 0.893 43.035 42.059 0.139 0.000 1.211 206 L HN 0.575 nan 8.230 nan 0.000 0.422 207 E N 2.519 122.764 120.200 0.076 0.000 2.367 207 E HA 0.451 4.801 4.350 0.000 0.000 0.273 207 E C -1.129 175.502 176.600 0.052 0.000 0.903 207 E CA -0.780 55.663 56.400 0.073 0.000 0.764 207 E CB 2.290 32.030 29.700 0.067 0.000 1.252 207 E HN 0.497 nan 8.360 nan 0.000 0.446 208 S N 1.477 117.218 115.700 0.068 0.000 2.585 208 S HA 0.109 4.579 4.470 0.000 0.000 0.277 208 S C 0.093 174.739 174.600 0.077 0.000 1.241 208 S CA -0.720 57.516 58.200 0.061 0.000 1.041 208 S CB 0.965 64.211 63.200 0.076 0.000 0.987 208 S HN 0.486 nan 8.310 nan 0.000 0.512 209 E N 2.461 122.691 120.200 0.051 0.000 2.376 209 E HA 0.160 4.510 4.350 0.000 0.000 0.254 209 E C -0.313 176.331 176.600 0.073 0.000 1.213 209 E CA -0.601 55.824 56.400 0.042 0.000 0.945 209 E CB 0.487 30.201 29.700 0.024 0.000 1.057 209 E HN 0.400 nan 8.360 nan 0.000 0.479 210 K N 0.849 121.269 120.400 0.034 0.000 2.451 210 K HA -0.043 4.277 4.320 0.000 0.000 0.280 210 K C -0.201 176.494 176.600 0.159 0.000 1.020 210 K CA -0.024 56.297 56.287 0.057 0.000 1.008 210 K CB 0.478 32.944 32.500 -0.058 0.000 0.917 210 K HN 0.370 nan 8.250 nan 0.000 0.478 211 Q N 4.303 124.308 119.800 0.341 0.000 2.369 211 Q HA 0.028 4.368 4.340 0.000 0.000 0.247 211 Q C 0.478 176.643 176.000 0.275 0.000 1.083 211 Q CA 0.304 56.242 55.803 0.224 0.000 0.905 211 Q CB 0.782 29.597 28.738 0.129 0.000 1.305 211 Q HN 0.548 nan 8.270 nan 0.000 0.465 212 R N 1.329 121.927 120.500 0.163 0.000 2.241 212 R HA -0.142 4.198 4.340 0.000 0.000 0.224 212 R C 0.464 176.855 176.300 0.152 0.000 1.101 212 R CA 1.362 57.518 56.100 0.093 0.000 0.995 212 R CB 0.275 30.603 30.300 0.046 0.000 0.870 212 R HN 0.546 nan 8.270 nan 0.000 0.463 213 D N -0.989 119.603 120.400 0.319 0.000 2.388 213 D HA -0.118 4.522 4.640 0.000 0.000 0.221 213 D C 1.171 177.940 176.300 0.781 0.000 1.133 213 D CA -0.334 53.943 54.000 0.462 0.000 0.831 213 D CB -0.666 40.396 40.800 0.437 0.000 0.962 213 D HN 0.308 nan 8.370 nan 0.000 0.502 214 W N 0.486 122.122 121.300 0.560 0.000 2.374 214 W HA -0.202 4.458 4.660 0.000 0.000 0.288 214 W C 0.287 177.223 176.519 0.696 0.000 1.218 214 W CA 0.427 58.190 57.345 0.697 0.000 1.245 214 W CB -0.138 29.702 29.460 0.633 0.000 1.126 214 W HN -0.108 nan 8.180 nan 0.000 0.545 215 F N 0.252 120.306 119.950 0.174 0.000 2.216 215 F HA -0.151 4.376 4.527 0.000 0.000 0.300 215 F C 2.251 178.016 175.800 -0.058 0.000 1.085 215 F CA 0.951 58.917 58.000 -0.056 0.000 1.326 215 F CB -1.865 37.170 39.000 0.060 0.000 1.027 215 F HN -0.097 nan 8.300 nan 0.000 0.497 216 F N -1.074 118.946 119.950 0.117 0.000 2.128 216 F HA -0.158 4.369 4.527 0.000 0.000 0.295 216 F C 1.876 177.557 175.800 -0.198 0.000 1.100 216 F CA 1.482 59.426 58.000 -0.094 0.000 1.260 216 F CB -0.651 38.261 39.000 -0.147 0.000 1.009 216 F HN -0.114 nan 8.300 nan 0.000 0.476 217 W N 1.587 122.883 121.300 -0.006 0.000 2.518 217 W HA 0.055 4.715 4.660 0.000 0.000 0.273 217 W C 2.538 178.919 176.519 -0.231 0.000 1.247 217 W CA 1.029 58.292 57.345 -0.136 0.000 1.288 217 W CB -0.402 29.151 29.460 0.155 0.000 1.107 217 W HN -0.012 nan 8.180 nan 0.000 0.586 218 R N 0.707 120.922 120.500 -0.475 0.000 2.241 218 R HA -0.115 4.225 4.340 0.000 0.000 0.224 218 R C 1.339 177.460 176.300 -0.297 0.000 1.101 218 R CA 1.427 57.071 56.100 -0.760 0.000 0.995 218 R CB -0.683 28.671 30.300 -1.577 0.000 0.870 218 R HN 0.291 nan 8.270 nan 0.000 0.463 219 Q N 0.547 120.193 119.800 -0.256 0.000 2.354 219 Q HA 0.087 4.427 4.340 0.000 0.000 0.203 219 Q C 0.120 176.033 176.000 -0.144 0.000 0.933 219 Q CA 0.326 56.011 55.803 -0.197 0.000 0.901 219 Q CB 0.316 28.898 28.738 -0.261 0.000 1.007 219 Q HN 0.160 nan 8.270 nan 0.000 0.495 220 K N 1.270 121.560 120.400 -0.182 0.000 2.132 220 K HA 0.171 4.491 4.320 0.000 0.000 0.240 220 K C 0.100 176.520 176.600 -0.299 0.000 1.036 220 K CA -0.072 56.053 56.287 -0.270 0.000 0.888 220 K CB 0.298 32.601 32.500 -0.329 0.000 1.071 220 K HN 0.022 nan 8.250 nan 0.000 0.502 221 R N 0.670 120.807 120.500 -0.606 0.000 2.272 221 R HA 0.203 4.544 4.340 0.000 0.000 0.334 221 R C 0.585 176.253 176.300 -1.053 0.000 1.117 221 R CA -0.158 55.255 56.100 -1.145 0.000 0.966 221 R CB 0.133 29.403 30.300 -1.718 0.000 1.049 221 R HN 0.638 nan 8.270 nan 0.000 0.477 222 G N 1.172 108.957 108.800 -1.691 0.000 2.531 222 G HA2 0.546 4.506 3.960 0.000 0.000 0.313 222 G HA3 0.546 4.506 3.960 0.000 0.000 0.313 222 G C -0.867 173.662 174.900 -0.620 0.000 1.238 222 G CA -0.394 43.586 45.100 -1.867 0.000 0.994 222 G HN 0.299 nan 8.290 nan 0.000 0.493 223 V N -0.875 118.887 119.914 -0.254 0.000 2.925 223 V HA 0.525 4.645 4.120 0.000 0.000 0.311 223 V C -0.641 175.574 176.094 0.201 0.000 1.104 223 V CA -0.644 61.708 62.300 0.087 0.000 0.954 223 V CB 2.117 34.015 31.823 0.126 0.000 1.022 223 V HN 0.543 nan 8.190 nan 0.000 0.427 224 V N 3.893 123.967 119.914 0.266 0.000 2.448 224 V HA 0.560 4.680 4.120 0.000 0.000 0.295 224 V C -0.408 175.792 176.094 0.176 0.000 1.025 224 V CA -0.583 61.893 62.300 0.293 0.000 0.859 224 V CB 1.892 33.961 31.823 0.409 0.000 0.988 224 V HN 0.607 nan 8.190 nan 0.000 0.431 225 V N 3.607 123.607 119.914 0.144 0.000 2.459 225 V HA 0.816 4.937 4.120 0.000 0.000 0.295 225 V C 0.307 176.461 176.094 0.100 0.000 1.029 225 V CA -0.533 61.837 62.300 0.117 0.000 0.874 225 V CB 1.768 33.682 31.823 0.152 0.000 0.985 225 V HN 0.977 nan 8.190 nan 0.000 0.438 226 A N 3.475 126.341 122.820 0.078 0.000 2.285 226 A HA 0.828 5.149 4.320 0.000 0.000 0.310 226 A C 0.451 178.054 177.584 0.031 0.000 1.266 226 A CA 0.094 52.162 52.037 0.052 0.000 0.832 226 A CB 0.925 19.958 19.000 0.054 0.000 1.163 226 A HN 0.980 nan 8.150 nan 0.000 0.499 227 G N 0.852 109.665 108.800 0.022 0.000 2.783 227 G HA2 0.388 4.349 3.960 0.000 0.000 0.182 227 G HA3 0.388 4.349 3.960 0.000 0.000 0.182 227 G C 0.327 175.222 174.900 -0.009 0.000 1.516 227 G CA -0.675 44.431 45.100 0.009 0.000 1.079 227 G HN 0.840 nan 8.290 nan 0.000 0.573 228 R N 0.036 120.528 120.500 -0.014 0.000 2.438 228 R HA 0.468 4.808 4.340 0.000 0.000 0.287 228 R C -0.106 176.181 176.300 -0.021 0.000 1.077 228 R CA 0.387 56.473 56.100 -0.023 0.000 1.034 228 R CB 0.148 30.437 30.300 -0.018 0.000 0.993 228 R HN 0.649 nan 8.270 nan 0.000 0.459 229 M N 0.222 119.805 119.600 -0.028 0.000 3.472 229 M HA 0.267 4.747 4.480 0.000 0.000 0.293 229 M C -0.904 175.377 176.300 -0.031 0.000 1.316 229 M CA -1.061 54.224 55.300 -0.024 0.000 0.857 229 M CB 1.260 33.843 32.600 -0.028 0.000 1.708 229 M HN 0.495 nan 8.290 nan 0.000 0.505 230 S N 0.698 116.386 115.700 -0.020 0.000 2.592 230 S HA 0.653 5.123 4.470 0.000 0.000 0.271 230 S C 1.051 175.625 174.600 -0.042 0.000 1.326 230 S CA -0.135 58.052 58.200 -0.022 0.000 1.024 230 S CB 1.392 64.593 63.200 0.002 0.000 0.921 230 S HN 1.067 nan 8.310 nan 0.000 0.527 231 A N 2.207 124.987 122.820 -0.066 0.000 1.896 231 A HA -0.187 4.133 4.320 0.000 0.000 0.220 231 A C 2.212 179.778 177.584 -0.029 0.000 1.206 231 A CA 1.928 53.928 52.037 -0.062 0.000 0.647 231 A CB -1.155 17.794 19.000 -0.084 0.000 0.828 231 A HN 0.905 nan 8.150 nan 0.000 0.455 232 E N -0.320 119.869 120.200 -0.019 0.000 2.058 232 E HA -0.216 4.134 4.350 0.000 0.000 0.194 232 E C 1.939 178.537 176.600 -0.003 0.000 0.997 232 E CA 1.606 58.001 56.400 -0.008 0.000 0.801 232 E CB -0.504 29.194 29.700 -0.003 0.000 0.746 232 E HN 0.803 nan 8.360 nan 0.000 0.450 233 E N -0.109 120.086 120.200 -0.008 0.000 2.118 233 E HA -0.144 4.206 4.350 0.000 0.000 0.195 233 E C 2.078 178.676 176.600 -0.003 0.000 0.992 233 E CA 1.058 57.452 56.400 -0.010 0.000 0.804 233 E CB -0.310 29.379 29.700 -0.018 0.000 0.741 233 E HN 0.339 nan 8.360 nan 0.000 0.458 234 G N 1.245 110.042 108.800 -0.004 0.000 2.421 234 G HA2 -0.296 3.664 3.960 0.000 0.000 0.216 234 G HA3 -0.296 3.664 3.960 0.000 0.000 0.216 234 G C 1.409 176.324 174.900 0.025 0.000 1.171 234 G CA 0.756 45.860 45.100 0.007 0.000 0.775 234 G HN 0.110 nan 8.290 nan 0.000 0.543 235 K N 0.279 120.691 120.400 0.020 0.000 2.032 235 K HA -0.089 4.231 4.320 0.000 0.000 0.209 235 K C 2.590 179.219 176.600 0.049 0.000 1.048 235 K CA 1.422 57.727 56.287 0.030 0.000 0.927 235 K CB -0.174 32.337 32.500 0.019 0.000 0.712 235 K HN 0.185 nan 8.250 nan 0.000 0.441 236 K N 0.382 120.808 120.400 0.044 0.000 2.211 236 K HA -0.081 4.239 4.320 0.000 0.000 0.203 236 K C 1.915 178.579 176.600 0.107 0.000 1.050 236 K CA 0.758 57.083 56.287 0.064 0.000 0.945 236 K CB 0.150 32.669 32.500 0.031 0.000 0.732 236 K HN -0.041 nan 8.250 nan 0.000 0.451 237 V N 0.636 120.604 119.914 0.090 0.000 2.488 237 V HA -0.127 3.993 4.120 0.000 0.000 0.246 237 V C 2.167 178.393 176.094 0.220 0.000 1.046 237 V CA 1.710 64.099 62.300 0.149 0.000 1.053 237 V CB -0.235 31.637 31.823 0.081 0.000 0.679 237 V HN 0.301 nan 8.190 nan 0.000 0.458 238 A N -0.271 122.633 122.820 0.140 0.000 1.972 238 A HA -0.127 4.193 4.320 0.000 0.000 0.219 238 A C 2.225 179.885 177.584 0.126 0.000 1.169 238 A CA 1.517 53.626 52.037 0.119 0.000 0.635 238 A CB -0.411 18.631 19.000 0.071 0.000 0.810 238 A HN 0.463 nan 8.150 nan 0.000 0.446 239 L N -2.718 118.590 121.223 0.141 0.000 2.005 239 L HA -0.182 4.159 4.340 0.000 0.000 0.207 239 L C 2.526 179.502 176.870 0.176 0.000 1.072 239 L CA 1.770 56.688 54.840 0.130 0.000 0.744 239 L CB -0.595 41.538 42.059 0.124 0.000 0.895 239 L HN 0.739 nan 8.230 nan 0.000 0.433 240 W N 0.813 122.132 121.300 0.032 0.000 2.321 240 W HA -0.274 4.387 4.660 0.000 0.000 0.306 240 W C 2.513 179.036 176.519 0.007 0.000 1.217 240 W CA 2.226 59.594 57.345 0.038 0.000 1.257 240 W CB -0.137 29.375 29.460 0.086 0.000 1.145 240 W HN 0.142 nan 8.180 nan 0.000 0.509 241 A N -0.698 122.249 122.820 0.213 0.000 1.929 241 A HA -0.225 4.095 4.320 0.000 0.000 0.216 241 A C 1.982 179.547 177.584 -0.032 0.000 1.176 241 A CA 1.710 53.787 52.037 0.067 0.000 0.628 241 A CB -0.948 18.179 19.000 0.212 0.000 0.816 241 A HN 0.512 nan 8.150 nan 0.000 0.444 242 Q N -0.775 119.026 119.800 0.002 0.000 2.079 242 Q HA -0.138 4.203 4.340 0.000 0.000 0.200 242 Q C 1.990 177.943 176.000 -0.080 0.000 0.974 242 Q CA 1.880 57.667 55.803 -0.026 0.000 0.840 242 Q CB -0.208 28.529 28.738 -0.002 0.000 0.898 242 Q HN 0.583 nan 8.270 nan 0.000 0.430 243 T N 1.265 115.755 114.554 -0.108 0.000 2.746 243 T HA -0.114 4.236 4.350 0.000 0.000 0.267 243 T C 1.702 176.244 174.700 -0.262 0.000 1.039 243 T CA 1.050 63.055 62.100 -0.158 0.000 1.142 243 T CB -0.102 68.677 68.868 -0.148 0.000 0.866 243 T HN 0.237 nan 8.240 nan 0.000 0.444 244 L N 0.087 121.048 121.223 -0.436 0.000 2.395 244 L HA 0.192 4.533 4.340 0.000 0.000 0.218 244 L C 1.909 178.548 176.870 -0.385 0.000 1.130 244 L CA 0.579 55.025 54.840 -0.657 0.000 0.826 244 L CB -0.373 40.892 42.059 -1.323 0.000 0.941 244 L HN 0.505 nan 8.230 nan 0.000 0.451 245 G N -1.497 107.204 108.800 -0.164 0.000 2.147 245 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 245 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 245 G C -0.317 174.753 174.900 0.284 0.000 1.005 245 G CA -0.404 44.722 45.100 0.043 0.000 0.713 245 G HN 0.130 nan 8.290 nan 0.000 0.515 246 W N 0.883 122.177 121.300 -0.010 0.000 2.316 246 W HA 0.535 5.196 4.660 0.000 0.000 0.321 246 W C -1.635 174.833 176.519 -0.085 0.000 1.203 246 W CA -3.186 54.175 57.345 0.028 0.000 1.214 246 W CB 0.269 29.790 29.460 0.102 0.000 1.169 246 W HN 0.037 nan 8.180 nan 0.000 0.561 247 P HA 0.062 nan 4.420 nan 0.000 0.271 247 P C -0.679 176.642 177.300 0.035 0.000 1.216 247 P CA -0.217 62.825 63.100 -0.097 0.000 0.771 247 P CB 1.211 32.741 31.700 -0.284 0.000 0.864 248 L N 5.293 126.543 121.223 0.045 0.000 2.272 248 L HA 0.352 4.692 4.340 0.000 0.000 0.284 248 L C -0.193 176.736 176.870 0.098 0.000 1.045 248 L CA -0.561 54.337 54.840 0.095 0.000 0.842 248 L CB -0.219 41.902 42.059 0.104 0.000 1.224 248 L HN 0.198 nan 8.230 nan 0.000 0.430 249 I N 5.260 125.885 120.570 0.093 0.000 2.406 249 I HA 0.318 4.489 4.170 0.000 0.000 0.293 249 I C 1.067 177.219 176.117 0.057 0.000 1.101 249 I CA 0.284 61.633 61.300 0.081 0.000 1.334 249 I CB 0.299 38.283 38.000 -0.027 0.000 1.421 249 I HN 0.718 nan 8.210 nan 0.000 0.513 250 G N 3.953 112.787 108.800 0.057 0.000 2.356 250 G HA2 0.362 4.322 3.960 0.000 0.000 0.322 250 G HA3 0.362 4.322 3.960 0.000 0.000 0.322 250 G C -1.092 173.814 174.900 0.010 0.000 1.125 250 G CA -0.423 44.700 45.100 0.038 0.000 0.885 250 G HN 0.571 nan 8.290 nan 0.000 0.467 251 D N 0.703 121.104 120.400 0.001 0.000 2.283 251 D HA 0.275 4.915 4.640 0.000 0.000 0.248 251 D C 1.842 178.127 176.300 -0.025 0.000 1.072 251 D CA -0.579 53.410 54.000 -0.017 0.000 0.929 251 D CB 1.666 42.457 40.800 -0.014 0.000 1.182 251 D HN 0.093 nan 8.370 nan 0.000 0.433 252 V N 2.262 122.154 119.914 -0.037 0.000 2.277 252 V HA -0.308 3.812 4.120 0.000 0.000 0.255 252 V C 2.005 178.068 176.094 -0.052 0.000 1.074 252 V CA 1.719 63.992 62.300 -0.046 0.000 1.058 252 V CB -1.083 30.706 31.823 -0.056 0.000 0.656 252 V HN 0.585 nan 8.190 nan 0.000 0.449 253 L N 1.130 122.321 121.223 -0.054 0.000 2.599 253 L HA 0.059 4.399 4.340 0.000 0.000 0.230 253 L C 2.370 179.204 176.870 -0.059 0.000 1.141 253 L CA 0.831 55.630 54.840 -0.068 0.000 0.877 253 L CB -0.528 41.492 42.059 -0.065 0.000 1.009 253 L HN 0.512 nan 8.230 nan 0.000 0.447 254 S N -0.766 114.911 115.700 -0.038 0.000 2.439 254 S HA -0.101 4.369 4.470 0.000 0.000 0.224 254 S C 0.979 175.565 174.600 -0.024 0.000 1.029 254 S CA -0.009 58.176 58.200 -0.024 0.000 0.946 254 S CB -0.100 63.098 63.200 -0.002 0.000 0.797 254 S HN 0.506 nan 8.310 nan 0.000 0.504 255 Q N 0.901 120.687 119.800 -0.024 0.000 2.468 255 Q HA -0.138 4.202 4.340 0.000 0.000 0.289 255 Q C 0.693 176.694 176.000 0.002 0.000 1.299 255 Q CA 0.984 56.780 55.803 -0.013 0.000 0.838 255 Q CB -2.777 25.942 28.738 -0.032 0.000 1.195 255 Q HN 0.879 nan 8.270 nan 0.000 0.456 256 T N -5.220 109.339 114.554 0.009 0.000 3.022 256 T HA 0.432 4.782 4.350 0.000 0.000 0.250 256 T C 1.434 176.146 174.700 0.020 0.000 1.060 256 T CA 0.593 62.707 62.100 0.023 0.000 1.013 256 T CB 0.883 69.773 68.868 0.037 0.000 0.982 256 T HN 1.094 nan 8.240 nan 0.000 0.508 257 G N 1.826 110.631 108.800 0.008 0.000 2.157 257 G HA2 -0.292 3.668 3.960 0.000 0.000 0.248 257 G HA3 -0.292 3.668 3.960 0.000 0.000 0.248 257 G C 0.053 174.953 174.900 0.001 0.000 0.979 257 G CA -0.127 44.972 45.100 -0.001 0.000 0.650 257 G HN 0.696 nan 8.290 nan 0.000 0.529 258 Q N -1.295 118.512 119.800 0.013 0.000 2.410 258 Q HA -0.207 4.133 4.340 0.000 0.000 0.369 258 Q C -0.942 175.075 176.000 0.029 0.000 1.342 258 Q CA 0.678 56.498 55.803 0.029 0.000 1.133 258 Q CB -0.462 28.292 28.738 0.026 0.000 1.288 258 Q HN 0.546 nan 8.270 nan 0.000 0.320 259 P HA -0.131 nan 4.420 nan 0.000 0.223 259 P C 0.221 177.509 177.300 -0.020 0.000 1.151 259 P CA 1.157 64.254 63.100 -0.004 0.000 0.787 259 P CB 0.312 32.007 31.700 -0.009 0.000 0.788 260 L N 1.619 122.858 121.223 0.025 0.000 2.709 260 L HA 0.380 4.721 4.340 0.000 0.000 0.236 260 L C -2.176 174.856 176.870 0.270 0.000 1.266 260 L CA -2.178 52.675 54.840 0.021 0.000 0.987 260 L CB 0.547 42.561 42.059 -0.075 0.000 1.306 260 L HN -0.118 nan 8.230 nan 0.000 0.467 261 P HA -0.020 nan 4.420 nan 0.000 0.271 261 P C 0.312 177.776 177.300 0.274 0.000 1.244 261 P CA -0.015 63.189 63.100 0.173 0.000 0.793 261 P CB 0.836 32.586 31.700 0.083 0.000 0.984 262 C N -0.963 118.418 119.300 0.135 0.000 4.167 262 C HA -0.072 4.388 4.460 0.000 0.000 0.302 262 C C 1.957 176.862 174.990 -0.142 0.000 1.384 262 C CA 0.038 59.089 59.018 0.055 0.000 2.041 262 C CB -3.463 24.338 27.740 0.102 0.000 1.303 262 C HN 0.730 nan 8.230 nan 0.000 0.718 263 A N -0.298 122.304 122.820 -0.363 0.000 2.070 263 A HA -0.132 4.188 4.320 0.000 0.000 0.220 263 A C 1.813 178.861 177.584 -0.893 0.000 1.159 263 A CA 2.144 53.417 52.037 -1.273 0.000 0.656 263 A CB -0.310 18.165 19.000 -0.876 0.000 0.800 263 A HN 0.726 nan 8.150 nan 0.000 0.453 264 D N -0.670 119.471 120.400 -0.430 0.000 2.310 264 D HA -0.033 4.607 4.640 0.000 0.000 0.212 264 D C 1.660 177.819 176.300 -0.235 0.000 0.965 264 D CA 0.945 54.778 54.000 -0.279 0.000 0.879 264 D CB 0.014 40.719 40.800 -0.158 0.000 0.921 264 D HN 0.521 nan 8.370 nan 0.000 0.510 265 L N -0.712 120.374 121.223 -0.228 0.000 2.356 265 L HA 0.147 4.488 4.340 0.000 0.000 0.193 265 L C 2.441 179.263 176.870 -0.079 0.000 1.087 265 L CA 0.047 54.819 54.840 -0.112 0.000 0.817 265 L CB -0.997 41.043 42.059 -0.032 0.000 1.035 265 L HN 0.214 nan 8.230 nan 0.000 0.482 266 W N 1.020 122.284 121.300 -0.061 0.000 2.364 266 W HA -0.140 4.520 4.660 0.000 0.000 0.281 266 W C 1.416 177.889 176.519 -0.077 0.000 1.219 266 W CA 0.483 57.786 57.345 -0.069 0.000 1.220 266 W CB -0.851 28.560 29.460 -0.080 0.000 1.127 266 W HN 0.151 nan 8.180 nan 0.000 0.556 267 L N 1.728 122.675 121.223 -0.459 0.000 2.622 267 L HA 0.085 4.425 4.340 0.000 0.000 0.233 267 L C 2.436 179.250 176.870 -0.093 0.000 1.156 267 L CA 0.995 55.631 54.840 -0.340 0.000 0.866 267 L CB -0.839 40.868 42.059 -0.585 0.000 0.980 267 L HN 0.118 nan 8.230 nan 0.000 0.448 268 G N -1.141 107.625 108.800 -0.058 0.000 3.189 268 G HA2 -0.079 3.882 3.960 0.000 0.000 0.225 268 G HA3 -0.079 3.882 3.960 0.000 0.000 0.225 268 G C 0.382 175.297 174.900 0.025 0.000 1.159 268 G CA -0.271 44.820 45.100 -0.015 0.000 0.763 268 G HN 0.172 nan 8.290 nan 0.000 0.549 269 N N 0.995 119.735 118.700 0.067 0.000 2.437 269 N HA 0.332 5.072 4.740 0.000 0.000 0.259 269 N C 1.503 177.071 175.510 0.097 0.000 0.983 269 N CA 0.178 53.279 53.050 0.086 0.000 0.937 269 N CB 1.658 40.210 38.487 0.108 0.000 1.122 269 N HN -0.041 nan 8.380 nan 0.000 0.499 270 A N 4.912 127.785 122.820 0.087 0.000 1.985 270 A HA -0.238 4.082 4.320 0.000 0.000 0.223 270 A C 1.999 179.639 177.584 0.092 0.000 1.189 270 A CA 1.633 53.724 52.037 0.090 0.000 0.658 270 A CB -0.252 18.795 19.000 0.079 0.000 0.820 270 A HN 0.805 nan 8.150 nan 0.000 0.464 271 K N -0.905 119.544 120.400 0.081 0.000 2.057 271 K HA 0.007 4.327 4.320 0.000 0.000 0.206 271 K C 2.427 179.070 176.600 0.072 0.000 1.050 271 K CA 0.979 57.305 56.287 0.065 0.000 0.935 271 K CB -0.312 32.214 32.500 0.043 0.000 0.715 271 K HN 0.482 nan 8.250 nan 0.000 0.439 272 A N 1.303 124.182 122.820 0.099 0.000 1.858 272 A HA -0.164 4.156 4.320 0.000 0.000 0.216 272 A C 2.252 179.916 177.584 0.134 0.000 1.190 272 A CA 2.228 54.340 52.037 0.124 0.000 0.617 272 A CB -1.204 17.968 19.000 0.286 0.000 0.827 272 A HN 0.298 nan 8.150 nan 0.000 0.443 273 T N 0.683 115.337 114.554 0.167 0.000 2.685 273 T HA -0.198 4.152 4.350 0.000 0.000 0.268 273 T C 2.149 176.994 174.700 0.241 0.000 1.034 273 T CA 2.014 64.266 62.100 0.255 0.000 1.149 273 T CB -0.561 68.446 68.868 0.232 0.000 0.860 273 T HN 0.502 nan 8.240 nan 0.000 0.449 274 S N 0.908 116.707 115.700 0.165 0.000 2.371 274 S HA -0.077 4.393 4.470 0.000 0.000 0.224 274 S C 2.013 176.708 174.600 0.157 0.000 1.029 274 S CA 1.034 59.319 58.200 0.143 0.000 0.978 274 S CB -0.328 62.933 63.200 0.101 0.000 0.833 274 S HN 0.621 nan 8.310 nan 0.000 0.466 275 E N 1.345 121.624 120.200 0.133 0.000 2.065 275 E HA -0.181 4.169 4.350 0.000 0.000 0.201 275 E C 1.826 178.579 176.600 0.254 0.000 1.016 275 E CA 1.245 57.730 56.400 0.141 0.000 0.818 275 E CB -0.272 29.441 29.700 0.021 0.000 0.749 275 E HN 0.415 nan 8.360 nan 0.000 0.453 276 L N 0.332 121.703 121.223 0.245 0.000 2.265 276 L HA -0.180 4.160 4.340 0.000 0.000 0.215 276 L C 2.539 179.662 176.870 0.423 0.000 1.117 276 L CA 0.852 55.923 54.840 0.385 0.000 0.782 276 L CB -0.299 42.016 42.059 0.425 0.000 0.914 276 L HN 0.275 nan 8.230 nan 0.000 0.441 277 Q N -0.314 119.671 119.800 0.308 0.000 2.488 277 Q HA -0.163 4.177 4.340 0.000 0.000 0.211 277 Q C 1.853 177.935 176.000 0.136 0.000 0.967 277 Q CA 0.649 56.577 55.803 0.209 0.000 0.926 277 Q CB 0.231 29.065 28.738 0.161 0.000 0.992 277 Q HN 0.523 nan 8.270 nan 0.000 0.506 278 Q N -0.760 119.133 119.800 0.154 0.000 2.424 278 Q HA 0.183 4.523 4.340 0.000 0.000 0.204 278 Q C -0.081 175.833 176.000 -0.143 0.000 0.933 278 Q CA 0.076 55.889 55.803 0.017 0.000 0.929 278 Q CB 0.555 29.317 28.738 0.039 0.000 1.037 278 Q HN 0.238 nan 8.270 nan 0.000 0.511 279 A N 0.737 123.554 122.820 -0.004 0.000 2.511 279 A HA -0.026 4.294 4.320 0.000 0.000 0.242 279 A C 0.547 178.042 177.584 -0.148 0.000 1.069 279 A CA 0.120 52.084 52.037 -0.122 0.000 0.763 279 A CB 0.422 19.525 19.000 0.173 0.000 1.001 279 A HN 0.328 nan 8.150 nan 0.000 0.498 280 Q N 0.735 120.392 119.800 -0.238 0.000 2.390 280 Q HA 0.212 4.552 4.340 0.000 0.000 0.216 280 Q C -0.157 175.816 176.000 -0.045 0.000 0.916 280 Q CA 0.213 55.966 55.803 -0.083 0.000 0.911 280 Q CB 0.336 29.050 28.738 -0.041 0.000 1.035 280 Q HN 0.706 nan 8.270 nan 0.000 0.541 281 I N 0.484 120.930 120.570 -0.206 0.000 2.530 281 I HA 0.326 4.496 4.170 0.000 0.000 0.297 281 I C -1.401 174.465 176.117 -0.418 0.000 1.011 281 I CA -1.407 59.680 61.300 -0.355 0.000 1.107 281 I CB 2.131 39.896 38.000 -0.391 0.000 1.285 281 I HN -0.276 nan 8.210 nan 0.000 0.436 282 V N 7.441 127.083 119.914 -0.452 0.000 2.444 282 V HA 0.455 4.575 4.120 0.000 0.000 0.294 282 V C -0.709 175.071 176.094 -0.523 0.000 1.022 282 V CA -0.696 61.327 62.300 -0.462 0.000 0.850 282 V CB 1.745 33.200 31.823 -0.615 0.000 0.992 282 V HN 0.476 nan 8.190 nan 0.000 0.426 283 V N 5.200 124.996 119.914 -0.197 0.000 2.328 283 V HA 0.397 4.517 4.120 0.000 0.000 0.278 283 V C 0.054 176.145 176.094 -0.004 0.000 1.021 283 V CA -0.449 61.837 62.300 -0.023 0.000 0.838 283 V CB 1.339 33.352 31.823 0.318 0.000 0.999 283 V HN 0.907 nan 8.190 nan 0.000 0.447 284 Q N 4.748 124.508 119.800 -0.067 0.000 2.278 284 Q HA 0.459 4.799 4.340 0.000 0.000 0.257 284 Q C -1.471 174.511 176.000 -0.031 0.000 0.928 284 Q CA -0.673 55.146 55.803 0.026 0.000 0.932 284 Q CB 1.305 30.147 28.738 0.173 0.000 1.221 284 Q HN 0.541 nan 8.270 nan 0.000 0.434 285 L N 3.986 125.190 121.223 -0.032 0.000 2.287 285 L HA 0.594 4.934 4.340 0.000 0.000 0.287 285 L C 0.665 177.504 176.870 -0.052 0.000 1.022 285 L CA 0.372 55.148 54.840 -0.106 0.000 0.814 285 L CB 0.275 42.261 42.059 -0.122 0.000 1.217 285 L HN 0.971 nan 8.230 nan 0.000 0.420 286 G N 3.262 112.022 108.800 -0.067 0.000 2.796 286 G HA2 -0.058 3.902 3.960 0.000 0.000 0.571 286 G HA3 -0.058 3.902 3.960 0.000 0.000 0.571 286 G C -0.347 174.549 174.900 -0.006 0.000 1.370 286 G CA -0.164 44.916 45.100 -0.033 0.000 0.856 286 G HN 0.972 nan 8.290 nan 0.000 0.538 287 S N -2.405 113.294 115.700 -0.002 0.000 2.840 287 S HA 0.848 5.318 4.470 0.000 0.000 0.307 287 S C 0.419 175.021 174.600 0.002 0.000 1.180 287 S CA 0.609 58.813 58.200 0.007 0.000 0.846 287 S CB 1.419 64.619 63.200 -0.000 0.000 1.233 287 S HN 2.524 nan 8.310 nan 0.000 0.548 288 S N 0.756 116.456 115.700 0.000 0.000 3.791 288 S HA -0.075 4.395 4.470 0.000 0.000 0.393 288 S C -0.081 174.515 174.600 -0.006 0.000 0.936 288 S CA -0.006 58.190 58.200 -0.006 0.000 1.234 288 S CB -1.846 61.347 63.200 -0.011 0.000 0.891 288 S HN 0.683 nan 8.310 nan 0.000 0.519 289 L N 0.949 122.175 121.223 0.005 0.000 2.483 289 L HA 0.203 4.543 4.340 0.000 0.000 0.276 289 L C 1.838 178.702 176.870 -0.011 0.000 1.213 289 L CA 0.869 55.713 54.840 0.006 0.000 0.843 289 L CB -0.504 41.574 42.059 0.031 0.000 1.107 289 L HN 0.430 nan 8.230 nan 0.000 0.487 290 T N 0.967 115.508 114.554 -0.023 0.000 2.953 290 T HA 0.107 4.457 4.350 0.000 0.000 0.247 290 T C 0.877 175.555 174.700 -0.037 0.000 1.029 290 T CA 0.684 62.763 62.100 -0.034 0.000 1.144 290 T CB 0.116 68.957 68.868 -0.044 0.000 0.870 290 T HN 0.763 nan 8.240 nan 0.000 0.446 291 G N 0.565 109.339 108.800 -0.044 0.000 2.448 291 G HA2 0.334 4.295 3.960 0.000 0.000 0.285 291 G HA3 0.334 4.295 3.960 0.000 0.000 0.285 291 G C 0.577 175.451 174.900 -0.044 0.000 1.176 291 G CA -0.450 44.616 45.100 -0.056 0.000 0.852 291 G HN 0.161 nan 8.290 nan 0.000 0.530 292 K N 0.186 120.560 120.400 -0.044 0.000 2.148 292 K HA -0.050 4.270 4.320 0.000 0.000 0.204 292 K C 2.270 178.857 176.600 -0.022 0.000 1.050 292 K CA 0.531 56.801 56.287 -0.029 0.000 0.942 292 K CB 0.044 32.527 32.500 -0.028 0.000 0.724 292 K HN 0.305 nan 8.250 nan 0.000 0.446 293 R N 0.482 120.953 120.500 -0.049 0.000 2.193 293 R HA -0.056 4.284 4.340 0.000 0.000 0.213 293 R C 2.100 178.403 176.300 0.005 0.000 1.055 293 R CA 0.433 56.507 56.100 -0.042 0.000 0.995 293 R CB -0.561 29.672 30.300 -0.111 0.000 0.893 293 R HN 0.210 nan 8.270 nan 0.000 0.459 294 L N 0.514 121.729 121.223 -0.014 0.000 2.162 294 L HA 0.072 4.412 4.340 0.000 0.000 0.205 294 L C 1.903 178.864 176.870 0.152 0.000 1.086 294 L CA 1.304 56.180 54.840 0.059 0.000 0.778 294 L CB -0.532 41.516 42.059 -0.018 0.000 0.928 294 L HN 0.006 nan 8.230 nan 0.000 0.446 295 L N -0.696 120.570 121.223 0.072 0.000 1.994 295 L HA -0.245 4.095 4.340 0.000 0.000 0.208 295 L C 2.679 179.583 176.870 0.057 0.000 1.071 295 L CA 1.617 56.488 54.840 0.052 0.000 0.745 295 L CB -0.616 41.449 42.059 0.011 0.000 0.892 295 L HN 0.337 nan 8.230 nan 0.000 0.431 296 Q N -1.003 118.830 119.800 0.055 0.000 2.062 296 Q HA -0.319 4.021 4.340 0.000 0.000 0.209 296 Q C 1.987 178.041 176.000 0.090 0.000 0.996 296 Q CA 2.572 58.408 55.803 0.055 0.000 0.859 296 Q CB -0.414 28.355 28.738 0.053 0.000 0.920 296 Q HN 0.558 nan 8.270 nan 0.000 0.415 297 W N 1.211 122.507 121.300 -0.006 0.000 2.350 297 W HA -0.205 4.455 4.660 0.000 0.000 0.289 297 W C 2.135 178.696 176.519 0.070 0.000 1.215 297 W CA 1.690 59.047 57.345 0.020 0.000 1.236 297 W CB -0.049 29.407 29.460 -0.006 0.000 1.130 297 W HN 0.172 nan 8.180 nan 0.000 0.541 298 Q N -0.103 119.688 119.800 -0.015 0.000 2.062 298 Q HA -0.107 4.233 4.340 0.000 0.000 0.196 298 Q C 2.345 178.307 176.000 -0.062 0.000 0.967 298 Q CA 1.552 57.295 55.803 -0.101 0.000 0.832 298 Q CB -0.481 28.314 28.738 0.095 0.000 0.899 298 Q HN 0.237 nan 8.270 nan 0.000 0.442 299 A N 0.686 123.461 122.820 -0.076 0.000 1.986 299 A HA -0.198 4.123 4.320 0.000 0.000 0.220 299 A C 2.092 179.603 177.584 -0.122 0.000 1.171 299 A CA 2.195 54.159 52.037 -0.122 0.000 0.640 299 A CB -0.451 18.494 19.000 -0.092 0.000 0.811 299 A HN 0.567 nan 8.150 nan 0.000 0.451 300 S N -1.623 113.994 115.700 -0.138 0.000 2.506 300 S HA 0.059 4.529 4.470 0.000 0.000 0.219 300 S C 0.957 175.443 174.600 -0.190 0.000 1.031 300 S CA 0.207 58.332 58.200 -0.126 0.000 0.911 300 S CB -1.507 61.646 63.200 -0.079 0.000 0.812 300 S HN 1.000 nan 8.310 nan 0.000 0.497 301 C N 2.035 121.076 119.300 -0.431 0.000 2.676 301 C HA 0.604 5.064 4.460 0.000 0.000 0.416 301 C C 0.187 175.089 174.990 -0.147 0.000 1.299 301 C CA -0.587 58.124 59.018 -0.511 0.000 2.048 301 C CB -0.467 26.522 27.740 -1.252 0.000 2.713 301 C HN 0.556 nan 8.230 nan 0.000 0.624 302 E N 2.931 123.078 120.200 -0.088 0.000 3.352 302 E HA 0.314 4.664 4.350 0.000 0.000 0.254 302 E C -2.232 174.372 176.600 0.008 0.000 1.229 302 E CA -0.852 55.561 56.400 0.022 0.000 0.949 302 E CB 0.820 30.541 29.700 0.035 0.000 1.373 302 E HN 0.737 nan 8.360 nan 0.000 0.392 303 P HA 0.131 nan 4.420 nan 0.000 0.276 303 P C 0.548 177.874 177.300 0.044 0.000 1.252 303 P CA -0.274 62.818 63.100 -0.013 0.000 0.802 303 P CB 1.404 33.053 31.700 -0.085 0.000 1.035 304 E N -0.241 120.013 120.200 0.090 0.000 2.171 304 E HA -0.158 4.193 4.350 0.000 0.000 0.197 304 E C 0.071 176.735 176.600 0.107 0.000 0.997 304 E CA 1.329 57.830 56.400 0.167 0.000 0.810 304 E CB 0.269 30.192 29.700 0.372 0.000 0.738 304 E HN 0.515 nan 8.360 nan 0.000 0.467 305 E N -1.406 118.781 120.200 -0.020 0.000 2.352 305 E HA 0.227 4.577 4.350 0.000 0.000 0.280 305 E C -1.801 174.783 176.600 -0.026 0.000 0.930 305 E CA -0.552 55.823 56.400 -0.042 0.000 0.765 305 E CB 1.780 31.321 29.700 -0.264 0.000 1.219 305 E HN -0.050 nan 8.360 nan 0.000 0.434 306 Y N 1.989 122.307 120.300 0.029 0.000 2.350 306 Y HA 0.436 4.986 4.550 0.000 0.000 0.338 306 Y C -1.622 174.459 175.900 0.300 0.000 0.961 306 Y CA -0.822 57.287 58.100 0.015 0.000 1.100 306 Y CB 0.891 39.273 38.460 -0.131 0.000 1.179 306 Y HN 0.452 nan 8.280 nan 0.000 0.454 307 W N 6.970 128.256 121.300 -0.023 0.000 2.606 307 W HA 0.696 5.356 4.660 0.000 0.000 0.332 307 W C -1.130 175.408 176.519 0.031 0.000 1.052 307 W CA -1.626 55.724 57.345 0.009 0.000 1.223 307 W CB 1.309 30.729 29.460 -0.066 0.000 1.383 307 W HN 0.312 nan 8.180 nan 0.000 0.524 308 I N 3.307 124.014 120.570 0.228 0.000 2.447 308 I HA 0.358 4.528 4.170 0.000 0.000 0.287 308 I C -0.783 175.263 176.117 -0.118 0.000 1.023 308 I CA -1.151 60.200 61.300 0.085 0.000 1.083 308 I CB 1.632 39.710 38.000 0.129 0.000 1.245 308 I HN -0.144 nan 8.210 nan 0.000 0.434 309 V N 5.085 124.834 119.914 -0.275 0.000 2.459 309 V HA 0.624 4.744 4.120 0.000 0.000 0.295 309 V C -0.507 175.410 176.094 -0.295 0.000 1.029 309 V CA -0.223 61.783 62.300 -0.491 0.000 0.874 309 V CB 1.870 33.026 31.823 -1.111 0.000 0.985 309 V HN 0.761 nan 8.190 nan 0.000 0.438 310 D N 2.606 122.883 120.400 -0.206 0.000 2.842 310 D HA 0.047 4.687 4.640 0.000 0.000 0.248 310 D C -0.928 175.344 176.300 -0.046 0.000 1.140 310 D CA -0.324 53.614 54.000 -0.104 0.000 0.728 310 D CB 2.136 42.894 40.800 -0.071 0.000 1.595 310 D HN 0.671 nan 8.370 nan 0.000 0.450 311 D N 2.209 122.616 120.400 0.011 0.000 2.413 311 D HA 0.104 4.744 4.640 0.000 0.000 0.237 311 D C 0.936 177.326 176.300 0.151 0.000 1.171 311 D CA -0.159 53.902 54.000 0.102 0.000 0.839 311 D CB -0.422 40.450 40.800 0.120 0.000 0.950 311 D HN 0.493 nan 8.370 nan 0.000 0.499 312 I N -3.390 117.203 120.570 0.039 0.000 2.750 312 I HA 0.559 4.729 4.170 0.000 0.000 0.308 312 I C -0.368 175.698 176.117 -0.086 0.000 1.016 312 I CA -1.083 60.218 61.300 0.002 0.000 1.098 312 I CB 2.047 40.053 38.000 0.011 0.000 1.279 312 I HN -0.314 nan 8.210 nan 0.000 0.454 313 E N 2.238 122.356 120.200 -0.136 0.000 2.314 313 E HA 0.636 4.986 4.350 0.000 0.000 0.262 313 E C -0.020 176.527 176.600 -0.089 0.000 1.093 313 E CA 0.050 56.361 56.400 -0.149 0.000 0.908 313 E CB 1.218 30.805 29.700 -0.187 0.000 1.091 313 E HN 1.109 nan 8.360 nan 0.000 0.425 314 G N 0.755 109.508 108.800 -0.078 0.000 2.707 314 G HA2 -0.218 3.742 3.960 0.000 0.000 0.686 314 G HA3 -0.218 3.742 3.960 0.000 0.000 0.686 314 G C -0.761 174.114 174.900 -0.040 0.000 1.315 314 G CA -0.909 44.159 45.100 -0.054 0.000 0.832 314 G HN 0.448 nan 8.290 nan 0.000 0.573 315 R N -0.830 119.655 120.500 -0.025 0.000 2.734 315 R HA 0.429 4.769 4.340 0.000 0.000 0.266 315 R C 0.851 177.140 176.300 -0.019 0.000 1.044 315 R CA 0.451 56.543 56.100 -0.012 0.000 1.128 315 R CB 0.227 30.535 30.300 0.014 0.000 1.010 315 R HN 0.486 nan 8.270 nan 0.000 0.461 316 L N 0.499 121.706 121.223 -0.026 0.000 3.664 316 L HA 0.135 4.475 4.340 0.000 0.000 0.341 316 L C -0.550 176.285 176.870 -0.058 0.000 1.247 316 L CA -0.150 54.671 54.840 -0.032 0.000 1.133 316 L CB 0.776 42.824 42.059 -0.019 0.000 1.498 316 L HN 0.532 nan 8.230 nan 0.000 0.628 317 D N 1.309 121.651 120.400 -0.098 0.000 2.454 317 D HA 0.283 4.923 4.640 0.000 0.000 0.225 317 D C -1.742 174.358 176.300 -0.334 0.000 1.081 317 D CA -1.970 51.905 54.000 -0.208 0.000 0.864 317 D CB 1.698 42.351 40.800 -0.245 0.000 1.040 317 D HN -0.134 nan 8.370 nan 0.000 0.517 318 P HA 0.054 nan 4.420 nan 0.000 0.234 318 P C 0.458 177.251 177.300 -0.845 0.000 1.167 318 P CA 0.458 63.273 63.100 -0.475 0.000 0.763 318 P CB 0.386 31.948 31.700 -0.230 0.000 0.835 319 A N -1.647 120.725 122.820 -0.746 0.000 2.390 319 A HA 0.120 4.440 4.320 0.000 0.000 0.232 319 A C 0.028 177.194 177.584 -0.697 0.000 1.233 319 A CA -0.187 51.443 52.037 -0.679 0.000 0.907 319 A CB -0.675 18.011 19.000 -0.523 0.000 0.967 319 A HN 0.169 nan 8.150 nan 0.000 0.512 320 H N -0.005 118.875 119.070 -0.316 0.000 2.819 320 H HA -0.166 4.390 4.556 0.000 0.000 0.323 320 H C -0.440 174.753 175.328 -0.225 0.000 1.243 320 H CA 1.070 56.984 56.048 -0.222 0.000 1.163 320 H CB -2.400 27.262 29.762 -0.166 0.000 1.493 320 H HN 0.790 nan 8.280 nan 0.000 0.434 321 H N 0.069 119.076 119.070 -0.104 0.000 2.603 321 H HA 0.312 4.869 4.556 0.000 0.000 0.370 321 H C 1.245 176.585 175.328 0.020 0.000 1.225 321 H CA -0.376 55.635 56.048 -0.062 0.000 1.410 321 H CB 0.930 30.625 29.762 -0.112 0.000 1.495 321 H HN 0.225 nan 8.280 nan 0.000 0.602 322 R N 0.825 121.450 120.500 0.207 0.000 2.491 322 R HA 0.367 4.707 4.340 0.000 0.000 0.283 322 R C 0.040 176.451 176.300 0.185 0.000 1.072 322 R CA 0.796 56.987 56.100 0.152 0.000 1.048 322 R CB 0.056 30.434 30.300 0.130 0.000 0.983 322 R HN 0.939 nan 8.270 nan 0.000 0.450 323 G N 2.641 111.531 108.800 0.150 0.000 2.366 323 G HA2 0.003 3.964 3.960 0.000 0.000 0.190 323 G HA3 0.003 3.964 3.960 0.000 0.000 0.190 323 G C -1.452 173.492 174.900 0.074 0.000 1.299 323 G CA -0.871 44.335 45.100 0.176 0.000 1.056 323 G HN 0.552 nan 8.290 nan 0.000 0.468 324 R N -0.726 119.788 120.500 0.023 0.000 2.854 324 R HA 0.808 5.148 4.340 0.000 0.000 0.271 324 R C -0.802 175.444 176.300 -0.090 0.000 0.994 324 R CA -0.966 55.031 56.100 -0.171 0.000 0.945 324 R CB 2.091 32.035 30.300 -0.593 0.000 1.194 324 R HN 0.506 nan 8.270 nan 0.000 0.476 325 R N 2.181 122.616 120.500 -0.108 0.000 2.467 325 R HA 0.362 4.702 4.340 0.000 0.000 0.299 325 R C -1.724 174.510 176.300 -0.110 0.000 1.120 325 R CA -0.245 55.810 56.100 -0.075 0.000 0.940 325 R CB 0.388 30.664 30.300 -0.039 0.000 1.161 325 R HN 0.542 nan 8.270 nan 0.000 0.506 326 L N 4.898 126.033 121.223 -0.146 0.000 2.309 326 L HA 0.586 4.926 4.340 0.000 0.000 0.282 326 L C -0.340 176.466 176.870 -0.105 0.000 1.036 326 L CA -1.175 53.590 54.840 -0.125 0.000 0.806 326 L CB 1.513 43.490 42.059 -0.138 0.000 1.220 326 L HN 0.455 nan 8.230 nan 0.000 0.429 327 I N 3.060 123.607 120.570 -0.038 0.000 2.354 327 I HA 0.721 4.891 4.170 0.000 0.000 0.286 327 I C -0.059 176.088 176.117 0.050 0.000 1.007 327 I CA 0.067 61.353 61.300 -0.023 0.000 1.167 327 I CB 1.536 39.505 38.000 -0.051 0.000 1.320 327 I HN 0.702 nan 8.210 nan 0.000 0.458 328 A N 5.225 128.080 122.820 0.058 0.000 2.594 328 A HA 0.310 4.631 4.320 0.000 0.000 0.301 328 A C -0.713 176.919 177.584 0.079 0.000 1.022 328 A CA -0.889 51.217 52.037 0.114 0.000 0.738 328 A CB 0.769 19.910 19.000 0.235 0.000 1.263 328 A HN 0.610 nan 8.150 nan 0.000 0.409 329 N N 1.852 120.601 118.700 0.082 0.000 2.292 329 N HA -0.012 4.728 4.740 0.000 0.000 0.258 329 N C 0.921 176.473 175.510 0.070 0.000 1.261 329 N CA 0.476 53.558 53.050 0.054 0.000 0.845 329 N CB 0.374 38.885 38.487 0.040 0.000 1.064 329 N HN 0.572 nan 8.380 nan 0.000 0.471 330 I N 3.861 124.444 120.570 0.022 0.000 2.142 330 I HA -0.290 3.881 4.170 0.000 0.000 0.240 330 I C 2.341 178.482 176.117 0.040 0.000 1.078 330 I CA 1.556 62.857 61.300 0.000 0.000 1.343 330 I CB -0.337 37.623 38.000 -0.065 0.000 1.046 330 I HN 0.755 nan 8.210 nan 0.000 0.405 331 A N 0.495 123.322 122.820 0.012 0.000 1.873 331 A HA -0.305 4.015 4.320 0.000 0.000 0.218 331 A C 1.982 179.576 177.584 0.016 0.000 1.193 331 A CA 2.400 54.438 52.037 0.002 0.000 0.629 331 A CB -0.897 18.103 19.000 0.001 0.000 0.826 331 A HN 0.378 nan 8.150 nan 0.000 0.447 332 D N -1.701 118.719 120.400 0.035 0.000 2.172 332 D HA -0.210 4.430 4.640 0.000 0.000 0.196 332 D C 1.501 177.814 176.300 0.022 0.000 0.999 332 D CA 1.450 55.464 54.000 0.024 0.000 0.856 332 D CB -0.393 40.431 40.800 0.039 0.000 0.934 332 D HN 0.764 nan 8.370 nan 0.000 0.453 333 W N 1.134 122.375 121.300 -0.099 0.000 2.378 333 W HA -0.056 4.604 4.660 0.000 0.000 0.313 333 W C 2.144 178.591 176.519 -0.119 0.000 1.197 333 W CA 0.963 58.263 57.345 -0.074 0.000 1.304 333 W CB -0.421 28.993 29.460 -0.077 0.000 1.148 333 W HN -0.095 nan 8.180 nan 0.000 0.494 334 L N 0.500 121.735 121.223 0.019 0.000 2.021 334 L HA -0.310 4.030 4.340 0.000 0.000 0.215 334 L C 2.398 179.181 176.870 -0.145 0.000 1.074 334 L CA 1.991 56.656 54.840 -0.291 0.000 0.760 334 L CB -1.122 40.701 42.059 -0.393 0.000 0.889 334 L HN 0.101 nan 8.230 nan 0.000 0.433 335 E N -0.195 119.945 120.200 -0.100 0.000 2.110 335 E HA -0.242 4.108 4.350 0.000 0.000 0.193 335 E C 2.122 178.643 176.600 -0.133 0.000 0.988 335 E CA 1.103 57.464 56.400 -0.065 0.000 0.804 335 E CB -0.080 29.593 29.700 -0.045 0.000 0.745 335 E HN 0.296 nan 8.360 nan 0.000 0.458 336 L N -0.059 120.978 121.223 -0.311 0.000 2.341 336 L HA -0.034 4.306 4.340 0.000 0.000 0.214 336 L C 0.209 176.616 176.870 -0.772 0.000 1.115 336 L CA 1.423 55.948 54.840 -0.525 0.000 0.820 336 L CB 0.135 41.787 42.059 -0.679 0.000 0.944 336 L HN 0.024 nan 8.230 nan 0.000 0.452 337 H N -0.031 118.752 119.070 -0.477 0.000 2.317 337 H HA 0.343 4.900 4.556 0.000 0.000 0.231 337 H C -2.402 173.011 175.328 0.142 0.000 1.442 337 H CA -2.220 53.505 56.048 -0.539 0.000 1.336 337 H CB -0.147 28.609 29.762 -1.678 0.000 1.533 337 H HN 0.118 nan 8.280 nan 0.000 0.522 338 P HA 0.125 nan 4.420 nan 0.000 0.274 338 P C 0.114 177.746 177.300 0.553 0.000 1.231 338 P CA -0.349 63.052 63.100 0.502 0.000 0.790 338 P CB 1.105 32.965 31.700 0.267 0.000 0.951 339 A N 2.159 125.154 122.820 0.292 0.000 2.445 339 A HA 0.118 4.439 4.320 0.000 0.000 0.242 339 A C 0.403 177.896 177.584 -0.151 0.000 1.075 339 A CA -0.142 51.791 52.037 -0.173 0.000 0.777 339 A CB -0.323 18.413 19.000 -0.439 0.000 1.013 339 A HN 0.631 nan 8.150 nan 0.000 0.493 340 E N 1.017 121.042 120.200 -0.293 0.000 2.231 340 E HA 0.218 4.568 4.350 0.000 0.000 0.277 340 E C -0.610 175.838 176.600 -0.253 0.000 0.999 340 E CA -0.633 55.605 56.400 -0.271 0.000 0.827 340 E CB 0.661 30.160 29.700 -0.335 0.000 1.101 340 E HN 0.552 nan 8.360 nan 0.000 0.393 341 K N 4.666 124.958 120.400 -0.180 0.000 2.382 341 K HA 0.172 4.492 4.320 0.000 0.000 0.286 341 K C -0.082 176.431 176.600 -0.146 0.000 1.062 341 K CA 0.374 56.572 56.287 -0.148 0.000 1.000 341 K CB 0.465 32.904 32.500 -0.102 0.000 0.954 341 K HN 0.317 nan 8.250 nan 0.000 0.470 342 R N 1.874 122.283 120.500 -0.151 0.000 2.774 342 R HA 0.123 4.463 4.340 0.000 0.000 0.272 342 R C -0.894 175.371 176.300 -0.058 0.000 1.000 342 R CA -1.122 54.912 56.100 -0.111 0.000 0.906 342 R CB 1.860 32.078 30.300 -0.136 0.000 1.227 342 R HN 0.601 nan 8.270 nan 0.000 0.468 343 Q N 1.443 121.237 119.800 -0.010 0.000 2.243 343 Q HA 0.401 4.741 4.340 0.000 0.000 0.252 343 Q C -2.288 173.764 176.000 0.086 0.000 0.909 343 Q CA -1.888 53.924 55.803 0.016 0.000 0.922 343 Q CB 0.911 29.652 28.738 0.004 0.000 1.215 343 Q HN 0.148 nan 8.270 nan 0.000 0.427 344 P HA -0.135 nan 4.420 nan 0.000 0.260 344 P C -0.095 177.271 177.300 0.110 0.000 1.172 344 P CA 0.110 63.242 63.100 0.053 0.000 0.760 344 P CB 0.117 31.794 31.700 -0.038 0.000 0.773 345 W N 2.472 123.782 121.300 0.016 0.000 2.737 345 W HA 0.119 4.779 4.660 0.000 0.000 0.262 345 W C -0.646 175.855 176.519 -0.031 0.000 1.282 345 W CA -0.155 57.184 57.345 -0.009 0.000 1.386 345 W CB -0.961 28.494 29.460 -0.009 0.000 1.099 345 W HN 0.043 nan 8.180 nan 0.000 0.621 346 C N 3.584 122.595 119.300 -0.482 0.000 2.499 346 C HA 0.212 4.672 4.460 0.000 0.000 0.386 346 C C 2.123 176.962 174.990 -0.251 0.000 1.293 346 C CA 0.099 58.825 59.018 -0.488 0.000 1.884 346 C CB 0.535 27.826 27.740 -0.750 0.000 2.509 346 C HN 0.293 nan 8.230 nan 0.000 0.566 347 V N 1.162 120.976 119.914 -0.166 0.000 3.307 347 V HA 0.161 4.281 4.120 0.000 0.000 0.244 347 V C 1.640 177.649 176.094 -0.141 0.000 1.196 347 V CA 0.853 63.077 62.300 -0.125 0.000 1.132 347 V CB -0.490 31.296 31.823 -0.062 0.000 0.875 347 V HN 0.814 nan 8.190 nan 0.000 0.468 348 E N 0.296 120.410 120.200 -0.145 0.000 2.318 348 E HA 0.218 4.568 4.350 0.000 0.000 0.193 348 E C 1.907 178.375 176.600 -0.220 0.000 0.998 348 E CA 0.770 57.086 56.400 -0.140 0.000 0.859 348 E CB 0.054 29.702 29.700 -0.088 0.000 0.812 348 E HN 0.688 nan 8.360 nan 0.000 0.492 349 I N 0.853 121.228 120.570 -0.324 0.000 2.584 349 I HA -0.059 4.111 4.170 0.000 0.000 0.255 349 I C -1.155 174.605 176.117 -0.594 0.000 1.145 349 I CA 0.216 61.191 61.300 -0.542 0.000 1.462 349 I CB -0.283 37.296 38.000 -0.703 0.000 1.102 349 I HN 0.085 nan 8.210 nan 0.000 0.433 350 P HA -0.107 nan 4.420 nan 0.000 0.223 350 P C 1.451 178.582 177.300 -0.282 0.000 1.151 350 P CA 1.103 63.990 63.100 -0.354 0.000 0.787 350 P CB -0.002 31.547 31.700 -0.252 0.000 0.788 351 R N -0.097 120.259 120.500 -0.241 0.000 2.062 351 R HA -0.002 4.338 4.340 0.000 0.000 0.229 351 R C 2.203 178.395 176.300 -0.180 0.000 1.128 351 R CA 1.153 57.150 56.100 -0.173 0.000 0.960 351 R CB -1.043 29.180 30.300 -0.129 0.000 0.855 351 R HN 0.089 nan 8.270 nan 0.000 0.432 352 L N 0.148 121.234 121.223 -0.227 0.000 2.083 352 L HA -0.123 4.217 4.340 0.000 0.000 0.209 352 L C 2.600 179.339 176.870 -0.219 0.000 1.083 352 L CA 1.283 56.016 54.840 -0.179 0.000 0.752 352 L CB -0.553 41.424 42.059 -0.137 0.000 0.899 352 L HN 0.329 nan 8.230 nan 0.000 0.433 353 A N -0.274 122.267 122.820 -0.465 0.000 1.865 353 A HA -0.281 4.039 4.320 0.000 0.000 0.217 353 A C 2.319 179.822 177.584 -0.133 0.000 1.191 353 A CA 2.015 53.813 52.037 -0.399 0.000 0.623 353 A CB -0.597 18.095 19.000 -0.514 0.000 0.826 353 A HN 0.451 nan 8.150 nan 0.000 0.444 354 E N -0.628 119.485 120.200 -0.145 0.000 2.110 354 E HA -0.237 4.113 4.350 0.000 0.000 0.193 354 E C 2.249 178.820 176.600 -0.049 0.000 0.988 354 E CA 1.345 57.695 56.400 -0.082 0.000 0.804 354 E CB -0.113 29.532 29.700 -0.091 0.000 0.745 354 E HN 0.772 nan 8.360 nan 0.000 0.458 355 Q N -0.224 119.545 119.800 -0.052 0.000 2.046 355 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 355 Q C 2.200 178.199 176.000 -0.001 0.000 0.975 355 Q CA 1.246 57.034 55.803 -0.025 0.000 0.836 355 Q CB -0.132 28.592 28.738 -0.024 0.000 0.896 355 Q HN 0.267 nan 8.270 nan 0.000 0.428 356 A N 0.922 123.757 122.820 0.025 0.000 1.883 356 A HA -0.258 4.062 4.320 0.000 0.000 0.217 356 A C 2.057 179.664 177.584 0.039 0.000 1.186 356 A CA 1.831 53.907 52.037 0.065 0.000 0.624 356 A CB -0.587 18.519 19.000 0.175 0.000 0.822 356 A HN 0.376 nan 8.150 nan 0.000 0.444 357 M N -0.245 119.379 119.600 0.041 0.000 2.149 357 M HA -0.199 4.281 4.480 0.000 0.000 0.261 357 M C 2.018 178.317 176.300 -0.002 0.000 1.064 357 M CA 1.968 57.286 55.300 0.030 0.000 1.102 357 M CB -0.849 31.774 32.600 0.039 0.000 1.369 357 M HN 0.540 nan 8.290 nan 0.000 0.408 358 Q N -0.658 119.136 119.800 -0.010 0.000 2.050 358 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 358 Q C 2.117 178.097 176.000 -0.033 0.000 0.980 358 Q CA 2.171 57.962 55.803 -0.019 0.000 0.840 358 Q CB -0.438 28.289 28.738 -0.018 0.000 0.898 358 Q HN 0.704 nan 8.270 nan 0.000 0.424 359 A N -0.133 122.670 122.820 -0.029 0.000 1.917 359 A HA -0.201 4.119 4.320 0.000 0.000 0.219 359 A C 2.245 179.783 177.584 -0.077 0.000 1.182 359 A CA 1.783 53.799 52.037 -0.036 0.000 0.633 359 A CB -0.744 18.244 19.000 -0.020 0.000 0.819 359 A HN 0.262 nan 8.150 nan 0.000 0.448 360 V N -0.354 119.489 119.914 -0.119 0.000 2.407 360 V HA -0.175 3.945 4.120 0.000 0.000 0.245 360 V C 2.331 178.220 176.094 -0.342 0.000 1.041 360 V CA 1.685 63.833 62.300 -0.253 0.000 1.040 360 V CB -0.608 31.029 31.823 -0.310 0.000 0.671 360 V HN 0.556 nan 8.190 nan 0.000 0.455 361 I N 0.831 121.271 120.570 -0.218 0.000 2.530 361 I HA -0.252 3.918 4.170 0.000 0.000 0.257 361 I C 2.530 178.602 176.117 -0.076 0.000 1.179 361 I CA 1.285 62.520 61.300 -0.108 0.000 1.440 361 I CB -0.433 37.569 38.000 0.003 0.000 1.087 361 I HN 0.283 nan 8.210 nan 0.000 0.440 362 A N 0.656 123.432 122.820 -0.073 0.000 1.930 362 A HA -0.114 4.206 4.320 0.000 0.000 0.217 362 A C 2.016 179.579 177.584 -0.034 0.000 1.175 362 A CA 1.192 53.205 52.037 -0.040 0.000 0.627 362 A CB -0.220 18.762 19.000 -0.029 0.000 0.815 362 A HN 0.299 nan 8.150 nan 0.000 0.443 363 R N -0.154 120.307 120.500 -0.064 0.000 2.426 363 R HA 0.078 4.418 4.340 0.000 0.000 0.263 363 R C 1.229 177.522 176.300 -0.010 0.000 0.961 363 R CA 0.450 56.531 56.100 -0.032 0.000 1.086 363 R CB -0.162 30.110 30.300 -0.047 0.000 1.186 363 R HN 0.790 nan 8.270 nan 0.000 0.537 364 R N -0.131 120.358 120.500 -0.019 0.000 2.275 364 R HA 0.058 4.399 4.340 0.000 0.000 0.199 364 R C 0.357 176.689 176.300 0.052 0.000 0.989 364 R CA 0.534 56.643 56.100 0.014 0.000 1.016 364 R CB 0.080 30.392 30.300 0.021 0.000 0.918 364 R HN -0.024 nan 8.270 nan 0.000 0.473 365 D N 2.265 122.722 120.400 0.096 0.000 2.123 365 D HA 0.007 4.647 4.640 0.000 0.000 0.200 365 D C 0.735 177.292 176.300 0.428 0.000 0.976 365 D CA 1.015 55.119 54.000 0.173 0.000 0.831 365 D CB -0.230 40.642 40.800 0.121 0.000 0.974 365 D HN 0.334 nan 8.370 nan 0.000 0.469 366 A N 0.878 123.903 122.820 0.343 0.000 2.587 366 A HA -0.093 4.227 4.320 0.000 0.000 0.233 366 A C -0.182 177.747 177.584 0.575 0.000 1.049 366 A CA 0.025 52.282 52.037 0.366 0.000 0.754 366 A CB -0.286 18.850 19.000 0.226 0.000 0.977 366 A HN 0.116 nan 8.150 nan 0.000 0.509 367 F N 2.970 123.015 119.950 0.159 0.000 2.567 367 F HA 0.504 5.031 4.527 0.000 0.000 0.352 367 F C 0.811 176.567 175.800 -0.074 0.000 1.229 367 F CA 0.316 58.218 58.000 -0.164 0.000 1.228 367 F CB -0.256 38.518 39.000 -0.378 0.000 1.568 367 F HN 0.686 nan 8.300 nan 0.000 0.634 368 G N 3.357 112.111 108.800 -0.078 0.000 2.687 368 G HA2 0.240 4.200 3.960 0.000 0.000 0.291 368 G HA3 0.240 4.200 3.960 0.000 0.000 0.291 368 G C 0.143 175.030 174.900 -0.022 0.000 1.420 368 G CA -0.315 44.728 45.100 -0.094 0.000 0.796 368 G HN 0.358 nan 8.290 nan 0.000 0.485 369 E N -0.354 119.834 120.200 -0.021 0.000 2.047 369 E HA -0.031 4.319 4.350 0.000 0.000 0.191 369 E C 2.414 179.062 176.600 0.079 0.000 0.987 369 E CA 1.370 57.780 56.400 0.016 0.000 0.799 369 E CB -0.258 29.439 29.700 -0.005 0.000 0.752 369 E HN 0.475 nan 8.360 nan 0.000 0.449 370 A N 1.423 124.286 122.820 0.072 0.000 1.884 370 A HA -0.339 3.981 4.320 0.000 0.000 0.219 370 A C 2.232 179.902 177.584 0.143 0.000 1.197 370 A CA 2.381 54.467 52.037 0.082 0.000 0.637 370 A CB -0.752 18.280 19.000 0.054 0.000 0.827 370 A HN 0.266 nan 8.150 nan 0.000 0.450 371 Q N -0.918 119.005 119.800 0.204 0.000 2.020 371 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 371 Q C 2.130 178.325 176.000 0.324 0.000 0.982 371 Q CA 1.620 57.595 55.803 0.287 0.000 0.838 371 Q CB -0.598 28.420 28.738 0.467 0.000 0.899 371 Q HN 0.659 nan 8.270 nan 0.000 0.423 372 L N 0.303 121.797 121.223 0.451 0.000 2.012 372 L HA -0.165 4.175 4.340 0.000 0.000 0.210 372 L C 2.044 179.064 176.870 0.249 0.000 1.073 372 L CA 2.227 57.343 54.840 0.460 0.000 0.748 372 L CB -0.959 41.333 42.059 0.387 0.000 0.891 372 L HN 0.203 nan 8.230 nan 0.000 0.431 373 A N -1.021 121.905 122.820 0.177 0.000 1.917 373 A HA -0.363 3.957 4.320 0.000 0.000 0.219 373 A C 2.302 179.940 177.584 0.091 0.000 1.182 373 A CA 2.147 54.251 52.037 0.111 0.000 0.633 373 A CB -1.237 17.812 19.000 0.083 0.000 0.819 373 A HN 0.810 nan 8.150 nan 0.000 0.448 374 H N -0.557 118.525 119.070 0.020 0.000 2.389 374 H HA 0.055 4.611 4.556 0.000 0.000 0.299 374 H C 1.811 177.090 175.328 -0.083 0.000 1.081 374 H CA 1.751 57.781 56.048 -0.030 0.000 1.345 374 H CB -0.062 29.682 29.762 -0.029 0.000 1.393 374 H HN 0.416 nan 8.280 nan 0.000 0.520 375 R N -0.591 119.769 120.500 -0.232 0.000 2.317 375 R HA 0.112 4.452 4.340 0.000 0.000 0.208 375 R C 1.645 177.706 176.300 -0.399 0.000 0.914 375 R CA 0.248 56.096 56.100 -0.421 0.000 1.060 375 R CB 0.013 30.091 30.300 -0.371 0.000 1.015 375 R HN 0.272 nan 8.270 nan 0.000 0.498 376 I N 0.992 121.442 120.570 -0.200 0.000 2.264 376 I HA -0.344 3.826 4.170 0.000 0.000 0.248 376 I C 1.804 177.768 176.117 -0.256 0.000 1.111 376 I CA 1.203 62.440 61.300 -0.104 0.000 1.382 376 I CB -0.138 37.863 38.000 0.003 0.000 1.060 376 I HN 0.333 nan 8.210 nan 0.000 0.418 377 C N -0.515 118.592 119.300 -0.322 0.000 2.419 377 C HA -0.079 4.381 4.460 0.000 0.000 0.283 377 C C 2.074 176.825 174.990 -0.398 0.000 1.373 377 C CA 0.204 59.011 59.018 -0.352 0.000 1.781 377 C CB -1.760 25.795 27.740 -0.309 0.000 1.886 377 C HN 0.435 nan 8.230 nan 0.000 0.520 378 D N 0.197 120.264 120.400 -0.554 0.000 2.350 378 D HA -0.054 4.586 4.640 0.000 0.000 0.216 378 D C 1.063 177.007 176.300 -0.593 0.000 0.968 378 D CA 1.263 54.869 54.000 -0.657 0.000 0.894 378 D CB -0.260 39.962 40.800 -0.963 0.000 0.909 378 D HN 0.664 nan 8.370 nan 0.000 0.520 379 Y N -0.362 119.774 120.300 -0.274 0.000 2.588 379 Y HA 0.315 4.865 4.550 0.000 0.000 0.247 379 Y C 0.522 176.287 175.900 -0.226 0.000 1.157 379 Y CA -0.715 57.147 58.100 -0.397 0.000 1.215 379 Y CB -0.138 37.842 38.460 -0.800 0.000 1.245 379 Y HN -0.182 nan 8.280 nan 0.000 0.534 380 L N 5.181 126.316 121.223 -0.146 0.000 2.500 380 L HA 0.166 4.506 4.340 0.000 0.000 0.272 380 L C -1.927 174.833 176.870 -0.183 0.000 1.149 380 L CA -1.651 53.063 54.840 -0.210 0.000 0.897 380 L CB 0.156 41.840 42.059 -0.625 0.000 1.178 380 L HN -0.081 nan 8.230 nan 0.000 0.473 381 P HA -0.032 nan 4.420 nan 0.000 0.269 381 P C -0.426 176.688 177.300 -0.310 0.000 1.209 381 P CA -0.307 62.319 63.100 -0.790 0.000 0.776 381 P CB 0.659 31.460 31.700 -1.498 0.000 0.876 382 E N 2.025 122.030 120.200 -0.326 0.000 2.376 382 E HA -0.075 4.275 4.350 0.000 0.000 0.266 382 E C 0.188 176.719 176.600 -0.115 0.000 1.009 382 E CA -0.053 56.267 56.400 -0.132 0.000 0.902 382 E CB -0.063 29.567 29.700 -0.116 0.000 0.972 382 E HN 0.250 nan 8.360 nan 0.000 0.439 383 Q N 1.043 120.798 119.800 -0.075 0.000 2.461 383 Q HA -0.226 4.114 4.340 0.000 0.000 0.264 383 Q C 0.200 176.082 176.000 -0.197 0.000 1.085 383 Q CA 1.110 56.827 55.803 -0.144 0.000 1.006 383 Q CB -2.043 26.637 28.738 -0.096 0.000 1.437 383 Q HN 0.760 nan 8.270 nan 0.000 0.514 384 G N 0.239 108.918 108.800 -0.202 0.000 2.829 384 G HA2 0.492 4.452 3.960 0.000 0.000 0.173 384 G HA3 0.492 4.452 3.960 0.000 0.000 0.173 384 G C 0.137 174.906 174.900 -0.218 0.000 1.476 384 G CA 0.543 45.561 45.100 -0.138 0.000 1.072 384 G HN 0.288 nan 8.290 nan 0.000 0.577 385 Q N -2.082 117.759 119.800 0.069 0.000 2.702 385 Q HA 0.484 4.824 4.340 0.000 0.000 0.289 385 Q C -2.398 173.831 176.000 0.382 0.000 0.923 385 Q CA -0.893 55.025 55.803 0.192 0.000 0.787 385 Q CB 1.603 30.489 28.738 0.246 0.000 1.476 385 Q HN 0.639 nan 8.270 nan 0.000 0.402 386 L N 1.757 123.204 121.223 0.372 0.000 2.356 386 L HA 0.663 5.003 4.340 0.000 0.000 0.277 386 L C -1.811 175.243 176.870 0.307 0.000 0.996 386 L CA -0.530 54.489 54.840 0.299 0.000 0.822 386 L CB 1.644 43.810 42.059 0.178 0.000 1.256 386 L HN 0.680 nan 8.230 nan 0.000 0.413 387 F N 5.638 125.703 119.950 0.191 0.000 2.415 387 F HA 0.677 5.204 4.527 0.000 0.000 0.348 387 F C -0.772 175.092 175.800 0.108 0.000 1.119 387 F CA -0.513 57.584 58.000 0.162 0.000 1.069 387 F CB 1.375 40.454 39.000 0.131 0.000 1.124 387 F HN 0.234 nan 8.300 nan 0.000 0.472 388 V N 6.674 126.263 119.914 -0.541 0.000 2.398 388 V HA 0.519 4.639 4.120 0.000 0.000 0.286 388 V C 0.754 176.589 176.094 -0.432 0.000 1.026 388 V CA -0.466 61.639 62.300 -0.324 0.000 0.868 388 V CB 0.937 32.626 31.823 -0.223 0.000 0.982 388 V HN 0.979 nan 8.190 nan 0.000 0.443 389 G N 3.877 112.599 108.800 -0.130 0.000 2.611 389 G HA2 0.190 4.150 3.960 0.000 0.000 0.273 389 G HA3 0.190 4.150 3.960 0.000 0.000 0.273 389 G C 0.044 174.903 174.900 -0.069 0.000 1.305 389 G CA -0.403 44.674 45.100 -0.039 0.000 1.010 389 G HN 0.612 nan 8.290 nan 0.000 0.509 390 N N -1.381 117.300 118.700 -0.031 0.000 2.593 390 N HA 0.446 5.187 4.740 0.000 0.000 0.304 390 N C 0.777 176.262 175.510 -0.043 0.000 1.296 390 N CA 0.336 53.361 53.050 -0.042 0.000 0.950 390 N CB 1.192 39.661 38.487 -0.029 0.000 1.127 390 N HN 0.738 nan 8.380 nan 0.000 0.587 391 S N -0.974 114.693 115.700 -0.055 0.000 3.426 391 S HA -0.236 4.234 4.470 0.000 0.000 0.630 391 S C 1.299 175.856 174.600 -0.072 0.000 2.670 391 S CA 0.718 58.870 58.200 -0.080 0.000 3.374 391 S CB -1.311 61.849 63.200 -0.067 0.000 0.296 391 S HN 0.454 nan 8.310 nan 0.000 1.445 392 L N 0.932 122.113 121.223 -0.071 0.000 2.201 392 L HA -0.017 4.323 4.340 0.000 0.000 0.212 392 L C 2.568 179.416 176.870 -0.035 0.000 1.105 392 L CA 1.531 56.337 54.840 -0.057 0.000 0.775 392 L CB -0.495 41.534 42.059 -0.050 0.000 0.913 392 L HN 0.566 nan 8.230 nan 0.000 0.440 393 V N -0.747 119.150 119.914 -0.028 0.000 2.261 393 V HA -0.252 3.869 4.120 0.000 0.000 0.246 393 V C 2.324 178.403 176.094 -0.025 0.000 1.047 393 V CA 2.093 64.384 62.300 -0.015 0.000 1.015 393 V CB 0.211 32.030 31.823 -0.007 0.000 0.642 393 V HN 0.277 nan 8.190 nan 0.000 0.446 394 V N -0.015 119.873 119.914 -0.043 0.000 2.515 394 V HA -0.190 3.930 4.120 0.000 0.000 0.250 394 V C 2.640 178.706 176.094 -0.047 0.000 1.058 394 V CA 2.478 64.746 62.300 -0.055 0.000 1.064 394 V CB -0.572 31.208 31.823 -0.072 0.000 0.675 394 V HN 0.591 nan 8.190 nan 0.000 0.461 395 R N -0.897 119.576 120.500 -0.044 0.000 2.075 395 R HA 0.078 4.418 4.340 0.000 0.000 0.226 395 R C 2.289 178.569 176.300 -0.034 0.000 1.114 395 R CA 1.420 57.493 56.100 -0.044 0.000 0.972 395 R CB -0.296 29.974 30.300 -0.049 0.000 0.869 395 R HN 0.423 nan 8.270 nan 0.000 0.437 396 L N 0.687 121.896 121.223 -0.023 0.000 1.955 396 L HA -0.239 4.101 4.340 0.000 0.000 0.213 396 L C 2.392 179.265 176.870 0.005 0.000 1.072 396 L CA 1.591 56.428 54.840 -0.005 0.000 0.755 396 L CB -0.536 41.529 42.059 0.010 0.000 0.888 396 L HN 0.221 nan 8.230 nan 0.000 0.432 397 I N 0.071 120.644 120.570 0.004 0.000 2.145 397 I HA -0.393 3.777 4.170 0.000 0.000 0.244 397 I C 2.238 178.347 176.117 -0.013 0.000 1.075 397 I CA 2.062 63.361 61.300 -0.001 0.000 1.332 397 I CB -0.594 37.398 38.000 -0.015 0.000 1.033 397 I HN 0.404 nan 8.210 nan 0.000 0.410 398 D N 0.765 121.148 120.400 -0.027 0.000 2.144 398 D HA -0.161 4.479 4.640 0.000 0.000 0.199 398 D C 2.002 178.281 176.300 -0.034 0.000 0.984 398 D CA 1.567 55.545 54.000 -0.036 0.000 0.834 398 D CB 0.115 40.886 40.800 -0.048 0.000 0.955 398 D HN 0.353 nan 8.370 nan 0.000 0.465 399 A N -0.763 122.038 122.820 -0.031 0.000 2.095 399 A HA 0.211 4.531 4.320 0.000 0.000 0.212 399 A C 1.929 179.510 177.584 -0.005 0.000 1.162 399 A CA 0.310 52.324 52.037 -0.039 0.000 0.753 399 A CB 0.012 18.983 19.000 -0.049 0.000 0.840 399 A HN 0.342 nan 8.150 nan 0.000 0.468 400 L N -1.525 119.714 121.223 0.028 0.000 2.817 400 L HA 0.246 4.587 4.340 0.000 0.000 0.248 400 L C 0.757 177.748 176.870 0.201 0.000 1.133 400 L CA 0.171 55.059 54.840 0.079 0.000 0.935 400 L CB 0.560 42.661 42.059 0.070 0.000 1.266 400 L HN 0.296 nan 8.230 nan 0.000 0.535 401 S N 0.026 115.785 115.700 0.098 0.000 2.599 401 S HA 0.439 4.910 4.470 0.000 0.000 0.294 401 S C -1.025 173.568 174.600 -0.011 0.000 1.094 401 S CA -0.397 57.822 58.200 0.031 0.000 0.931 401 S CB 2.200 65.380 63.200 -0.033 0.000 1.093 401 S HN 0.198 nan 8.310 nan 0.000 0.488 402 Q N 3.295 123.057 119.800 -0.063 0.000 2.347 402 Q HA 0.475 4.816 4.340 0.000 0.000 0.265 402 Q C -1.668 174.275 176.000 -0.095 0.000 1.024 402 Q CA -0.493 55.277 55.803 -0.055 0.000 0.731 402 Q CB 0.783 29.496 28.738 -0.042 0.000 1.245 402 Q HN 0.688 nan 8.270 nan 0.000 0.472 403 L N 6.085 127.259 121.223 -0.083 0.000 2.305 403 L HA 0.492 4.832 4.340 0.000 0.000 0.281 403 L C -1.955 174.868 176.870 -0.078 0.000 1.085 403 L CA -2.035 52.740 54.840 -0.109 0.000 0.813 403 L CB 0.724 42.725 42.059 -0.096 0.000 1.157 403 L HN 0.515 nan 8.230 nan 0.000 0.436 404 P HA 0.060 nan 4.420 nan 0.000 0.268 404 P C -0.471 176.836 177.300 0.011 0.000 1.204 404 P CA -0.369 62.704 63.100 -0.045 0.000 0.768 404 P CB 0.809 32.474 31.700 -0.058 0.000 0.842 405 A N 2.991 125.818 122.820 0.012 0.000 2.567 405 A HA 0.369 4.689 4.320 0.000 0.000 0.240 405 A C 1.600 179.208 177.584 0.040 0.000 1.053 405 A CA 0.909 52.960 52.037 0.023 0.000 0.755 405 A CB -1.417 17.593 19.000 0.016 0.000 0.978 405 A HN 0.917 nan 8.150 nan 0.000 0.507 406 G N 0.566 109.385 108.800 0.031 0.000 2.217 406 G HA2 -0.287 3.673 3.960 0.000 0.000 0.246 406 G HA3 -0.287 3.673 3.960 0.000 0.000 0.246 406 G C 0.207 175.110 174.900 0.006 0.000 0.990 406 G CA 0.544 45.651 45.100 0.011 0.000 0.627 406 G HN 1.331 nan 8.290 nan 0.000 0.522 407 Y N 3.498 123.759 120.300 -0.065 0.000 2.537 407 Y HA 0.474 5.024 4.550 0.000 0.000 0.339 407 Y C -1.835 173.997 175.900 -0.113 0.000 1.066 407 Y CA -1.773 56.282 58.100 -0.076 0.000 1.357 407 Y CB 0.912 39.327 38.460 -0.076 0.000 1.175 407 Y HN 0.053 nan 8.280 nan 0.000 0.525 408 P HA 0.009 nan 4.420 nan 0.000 0.265 408 P C -1.105 176.044 177.300 -0.252 0.000 1.222 408 P CA 0.339 63.260 63.100 -0.299 0.000 0.767 408 P CB 0.400 31.950 31.700 -0.249 0.000 0.801 409 V N 5.962 125.652 119.914 -0.373 0.000 2.435 409 V HA 0.369 4.489 4.120 0.000 0.000 0.290 409 V C -0.373 175.380 176.094 -0.570 0.000 1.030 409 V CA -0.415 61.703 62.300 -0.303 0.000 0.881 409 V CB 0.735 32.473 31.823 -0.141 0.000 0.983 409 V HN 0.361 nan 8.190 nan 0.000 0.445 410 Y N 2.169 122.477 120.300 0.014 0.000 2.446 410 Y HA 0.770 5.320 4.550 0.000 0.000 0.345 410 Y C 0.415 176.137 175.900 -0.296 0.000 0.984 410 Y CA -0.577 57.528 58.100 0.009 0.000 1.058 410 Y CB 2.417 41.004 38.460 0.213 0.000 1.220 410 Y HN 0.777 nan 8.280 nan 0.000 0.455 411 S N 0.584 116.227 115.700 -0.095 0.000 2.611 411 S HA 0.468 4.939 4.470 0.000 0.000 0.268 411 S C -1.631 172.947 174.600 -0.036 0.000 1.156 411 S CA -1.212 56.761 58.200 -0.378 0.000 0.817 411 S CB 1.479 64.504 63.200 -0.291 0.000 1.122 411 S HN 0.485 nan 8.310 nan 0.000 0.466 412 N N 0.994 119.685 118.700 -0.016 0.000 3.112 412 N HA 0.353 5.093 4.740 0.000 0.000 0.270 412 N C -0.236 175.279 175.510 0.009 0.000 1.385 412 N CA -0.387 52.705 53.050 0.071 0.000 0.986 412 N CB 0.482 39.062 38.487 0.154 0.000 1.261 412 N HN 0.368 nan 8.380 nan 0.000 0.495 413 R N -0.198 120.296 120.500 -0.011 0.000 2.466 413 R HA 0.240 4.580 4.340 0.000 0.000 0.279 413 R C 1.491 177.785 176.300 -0.009 0.000 0.976 413 R CA -0.216 55.871 56.100 -0.022 0.000 1.081 413 R CB 0.042 30.318 30.300 -0.040 0.000 1.215 413 R HN 0.366 nan 8.270 nan 0.000 0.546 414 G N 0.518 109.319 108.800 0.001 0.000 2.547 414 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 414 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 414 G C 1.229 176.128 174.900 -0.002 0.000 1.254 414 G CA 0.780 45.880 45.100 0.000 0.000 0.817 414 G HN 0.334 nan 8.290 nan 0.000 0.551 415 A N -1.158 121.660 122.820 -0.002 0.000 2.072 415 A HA 0.417 4.737 4.320 0.000 0.000 0.216 415 A C 1.562 179.144 177.584 -0.004 0.000 1.156 415 A CA 1.486 53.519 52.037 -0.006 0.000 0.701 415 A CB -0.059 18.931 19.000 -0.017 0.000 0.816 415 A HN 0.981 nan 8.150 nan 0.000 0.458 416 S N -1.632 114.066 115.700 -0.003 0.000 3.808 416 S HA -0.113 4.357 4.470 0.000 0.000 0.312 416 S C 0.606 175.199 174.600 -0.012 0.000 1.134 416 S CA 0.201 58.396 58.200 -0.008 0.000 0.884 416 S CB -1.928 61.266 63.200 -0.010 0.000 0.918 416 S HN 1.473 nan 8.310 nan 0.000 0.523 417 G N 1.011 109.800 108.800 -0.017 0.000 2.378 417 G HA2 0.476 4.436 3.960 0.000 0.000 0.255 417 G HA3 0.476 4.436 3.960 0.000 0.000 0.255 417 G C 0.788 175.626 174.900 -0.103 0.000 1.270 417 G CA -0.359 44.704 45.100 -0.062 0.000 0.876 417 G HN 0.904 nan 8.290 nan 0.000 0.521 418 I N 0.467 120.961 120.570 -0.126 0.000 3.684 418 I HA 0.126 4.296 4.170 0.000 0.000 0.308 418 I C 0.935 176.810 176.117 -0.403 0.000 1.263 418 I CA 0.029 61.248 61.300 -0.135 0.000 1.174 418 I CB 0.108 38.117 38.000 0.016 0.000 1.021 418 I HN 0.408 nan 8.210 nan 0.000 0.451 419 D N 0.820 120.823 120.400 -0.662 0.000 2.346 419 D HA 0.038 4.678 4.640 0.000 0.000 0.206 419 D C 1.555 177.454 176.300 -0.670 0.000 1.001 419 D CA 0.791 54.138 54.000 -1.090 0.000 0.871 419 D CB 0.147 40.238 40.800 -1.182 0.000 0.943 419 D HN 0.421 nan 8.370 nan 0.000 0.518 420 G N 0.362 108.750 108.800 -0.687 0.000 3.839 420 G HA2 0.246 4.206 3.960 0.000 0.000 0.286 420 G HA3 0.246 4.206 3.960 0.000 0.000 0.286 420 G C 1.328 175.982 174.900 -0.409 0.000 1.005 420 G CA -0.268 44.241 45.100 -0.984 0.000 0.824 420 G HN 0.121 nan 8.290 nan 0.000 0.489 421 L N 0.163 121.266 121.223 -0.200 0.000 2.017 421 L HA -0.057 4.283 4.340 0.000 0.000 0.208 421 L C 2.767 179.527 176.870 -0.184 0.000 1.073 421 L CA 1.079 55.899 54.840 -0.032 0.000 0.745 421 L CB -0.401 41.725 42.059 0.111 0.000 0.894 421 L HN 0.190 nan 8.230 nan 0.000 0.432 422 L N -0.400 120.723 121.223 -0.167 0.000 1.994 422 L HA -0.182 4.158 4.340 0.000 0.000 0.208 422 L C 2.887 179.595 176.870 -0.269 0.000 1.071 422 L CA 1.789 56.510 54.840 -0.199 0.000 0.745 422 L CB -0.989 40.979 42.059 -0.152 0.000 0.892 422 L HN 0.395 nan 8.230 nan 0.000 0.431 423 S N -1.370 114.182 115.700 -0.248 0.000 2.399 423 S HA -0.153 4.317 4.470 0.000 0.000 0.231 423 S C 1.853 176.296 174.600 -0.262 0.000 1.022 423 S CA 1.645 59.691 58.200 -0.256 0.000 0.983 423 S CB -0.812 62.273 63.200 -0.192 0.000 0.803 423 S HN 0.376 nan 8.310 nan 0.000 0.480 424 T N 2.157 116.544 114.554 -0.279 0.000 2.951 424 T HA 0.235 4.585 4.350 0.000 0.000 0.268 424 T C 2.094 176.447 174.700 -0.577 0.000 1.073 424 T CA 1.018 62.939 62.100 -0.299 0.000 1.134 424 T CB -0.441 68.350 68.868 -0.129 0.000 0.884 424 T HN 0.608 nan 8.240 nan 0.000 0.479 425 A N 1.250 123.612 122.820 -0.763 0.000 1.930 425 A HA 0.413 4.733 4.320 0.000 0.000 0.215 425 A C 2.607 179.946 177.584 -0.408 0.000 1.176 425 A CA 1.289 52.842 52.037 -0.807 0.000 0.632 425 A CB -0.898 17.698 19.000 -0.674 0.000 0.819 425 A HN 0.458 nan 8.150 nan 0.000 0.445 426 A N -0.097 122.522 122.820 -0.336 0.000 1.883 426 A HA 0.070 4.390 4.320 0.000 0.000 0.217 426 A C 2.408 179.824 177.584 -0.280 0.000 1.186 426 A CA 2.003 53.884 52.037 -0.261 0.000 0.624 426 A CB -1.450 17.393 19.000 -0.263 0.000 0.822 426 A HN 0.730 nan 8.150 nan 0.000 0.444 427 G N -0.823 107.786 108.800 -0.317 0.000 2.422 427 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 427 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 427 G C 1.495 176.208 174.900 -0.312 0.000 1.146 427 G CA 1.188 46.087 45.100 -0.336 0.000 0.769 427 G HN 0.329 nan 8.290 nan 0.000 0.547 428 V N 0.234 119.966 119.914 -0.304 0.000 2.427 428 V HA -0.174 3.946 4.120 0.000 0.000 0.248 428 V C 2.834 178.787 176.094 -0.234 0.000 1.051 428 V CA 2.028 64.147 62.300 -0.302 0.000 1.048 428 V CB 0.005 31.679 31.823 -0.249 0.000 0.666 428 V HN 0.389 nan 8.190 nan 0.000 0.456 429 Q N 0.536 120.232 119.800 -0.174 0.000 1.990 429 Q HA -0.194 4.146 4.340 0.000 0.000 0.200 429 Q C 2.462 178.408 176.000 -0.090 0.000 0.980 429 Q CA 1.763 57.512 55.803 -0.090 0.000 0.832 429 Q CB -0.209 28.493 28.738 -0.060 0.000 0.897 429 Q HN 0.535 nan 8.270 nan 0.000 0.427 430 R N 0.064 120.492 120.500 -0.121 0.000 2.117 430 R HA -0.154 4.187 4.340 0.000 0.000 0.243 430 R C 2.365 178.628 176.300 -0.061 0.000 1.143 430 R CA 1.282 57.334 56.100 -0.080 0.000 0.968 430 R CB -0.439 29.779 30.300 -0.138 0.000 0.863 430 R HN 0.333 nan 8.270 nan 0.000 0.444 431 A N 0.893 123.618 122.820 -0.158 0.000 1.841 431 A HA -0.226 4.094 4.320 0.000 0.000 0.216 431 A C 2.233 179.795 177.584 -0.036 0.000 1.199 431 A CA 2.200 54.162 52.037 -0.125 0.000 0.621 431 A CB -0.788 18.088 19.000 -0.207 0.000 0.835 431 A HN 0.457 nan 8.150 nan 0.000 0.445 432 S N -1.898 113.760 115.700 -0.070 0.000 2.436 432 S HA 0.319 4.789 4.470 0.000 0.000 0.228 432 S C 1.588 176.186 174.600 -0.003 0.000 1.014 432 S CA 1.320 59.502 58.200 -0.030 0.000 0.950 432 S CB -0.515 62.662 63.200 -0.038 0.000 0.784 432 S HN 2.117 nan 8.310 nan 0.000 0.504 433 G N 1.318 110.117 108.800 -0.002 0.000 2.153 433 G HA2 -0.250 3.710 3.960 0.000 0.000 0.252 433 G HA3 -0.250 3.710 3.960 0.000 0.000 0.252 433 G C -0.146 174.767 174.900 0.021 0.000 0.994 433 G CA 0.416 45.527 45.100 0.019 0.000 0.698 433 G HN 0.633 nan 8.290 nan 0.000 0.521 434 K N 0.715 121.124 120.400 0.014 0.000 2.110 434 K HA 0.467 4.787 4.320 0.000 0.000 0.263 434 K C -2.459 174.166 176.600 0.042 0.000 0.975 434 K CA -2.191 54.104 56.287 0.013 0.000 0.895 434 K CB 1.430 33.926 32.500 -0.007 0.000 1.060 434 K HN -0.103 nan 8.250 nan 0.000 0.448 435 P HA -0.125 nan 4.420 nan 0.000 0.259 435 P C -0.800 176.568 177.300 0.113 0.000 1.155 435 P CA 0.705 63.852 63.100 0.078 0.000 0.759 435 P CB 0.207 31.846 31.700 -0.101 0.000 0.753 436 T N 4.039 118.750 114.554 0.261 0.000 2.863 436 T HA 0.518 4.868 4.350 0.000 0.000 0.285 436 T C -0.583 174.394 174.700 0.461 0.000 1.009 436 T CA -0.384 61.889 62.100 0.289 0.000 0.989 436 T CB 1.006 69.992 68.868 0.196 0.000 1.004 436 T HN 0.137 nan 8.240 nan 0.000 0.455 437 L N 3.504 124.989 121.223 0.435 0.000 2.345 437 L HA 0.815 5.156 4.340 0.000 0.000 0.274 437 L C -0.639 176.441 176.870 0.349 0.000 0.999 437 L CA -0.380 54.744 54.840 0.474 0.000 0.849 437 L CB 0.360 42.736 42.059 0.528 0.000 1.220 437 L HN 0.757 nan 8.230 nan 0.000 0.422 438 A N 5.984 128.979 122.820 0.291 0.000 2.342 438 A HA 0.884 5.204 4.320 0.000 0.000 0.323 438 A C -0.840 176.874 177.584 0.216 0.000 1.125 438 A CA -0.513 51.711 52.037 0.312 0.000 0.785 438 A CB 0.855 20.070 19.000 0.359 0.000 1.221 438 A HN 0.654 nan 8.150 nan 0.000 0.463 439 I N 1.165 121.851 120.570 0.193 0.000 2.646 439 I HA 0.731 4.901 4.170 0.000 0.000 0.299 439 I C -0.833 175.335 176.117 0.086 0.000 1.036 439 I CA -1.081 60.287 61.300 0.115 0.000 1.074 439 I CB 2.216 40.280 38.000 0.106 0.000 1.258 439 I HN 0.349 nan 8.210 nan 0.000 0.430 440 V N 2.655 122.590 119.914 0.035 0.000 2.966 440 V HA 0.485 4.606 4.120 0.000 0.000 0.288 440 V C -0.064 176.016 176.094 -0.024 0.000 1.380 440 V CA -0.533 61.775 62.300 0.013 0.000 0.966 440 V CB 2.217 34.047 31.823 0.012 0.000 1.115 440 V HN 0.925 nan 8.190 nan 0.000 0.436 441 G N 2.084 110.881 108.800 -0.005 0.000 2.507 441 G HA2 0.404 4.364 3.960 0.000 0.000 0.271 441 G HA3 0.404 4.364 3.960 0.000 0.000 0.271 441 G C 0.820 175.734 174.900 0.023 0.000 1.189 441 G CA 0.369 45.472 45.100 0.006 0.000 0.859 441 G HN 0.859 nan 8.290 nan 0.000 0.542 442 D N 0.979 121.424 120.400 0.075 0.000 2.177 442 D HA -0.250 4.390 4.640 0.000 0.000 0.189 442 D C 2.320 178.779 176.300 0.265 0.000 1.002 442 D CA 1.331 55.461 54.000 0.216 0.000 0.845 442 D CB -0.408 40.569 40.800 0.296 0.000 0.960 442 D HN 0.378 nan 8.370 nan 0.000 0.447 443 L N 0.735 122.072 121.223 0.190 0.000 2.127 443 L HA -0.156 4.184 4.340 0.000 0.000 0.211 443 L C 2.903 179.892 176.870 0.198 0.000 1.089 443 L CA 1.175 56.123 54.840 0.180 0.000 0.757 443 L CB -0.532 41.619 42.059 0.154 0.000 0.899 443 L HN 0.023 nan 8.230 nan 0.000 0.434 444 S N 0.360 116.150 115.700 0.151 0.000 2.353 444 S HA -0.220 4.250 4.470 0.000 0.000 0.222 444 S C 2.289 176.960 174.600 0.117 0.000 1.035 444 S CA 1.370 59.648 58.200 0.130 0.000 1.025 444 S CB -0.414 62.821 63.200 0.059 0.000 0.902 444 S HN 0.526 nan 8.310 nan 0.000 0.440 445 A N 1.358 124.210 122.820 0.053 0.000 1.908 445 A HA -0.043 4.277 4.320 0.000 0.000 0.218 445 A C 2.162 179.856 177.584 0.183 0.000 1.181 445 A CA 1.233 53.273 52.037 0.005 0.000 0.627 445 A CB -0.773 18.020 19.000 -0.344 0.000 0.818 445 A HN 0.445 nan 8.150 nan 0.000 0.445 446 L N -2.409 118.984 121.223 0.283 0.000 2.017 446 L HA -0.199 4.142 4.340 0.000 0.000 0.208 446 L C 2.558 179.536 176.870 0.180 0.000 1.073 446 L CA 1.617 56.603 54.840 0.242 0.000 0.745 446 L CB -0.630 41.539 42.059 0.184 0.000 0.894 446 L HN 0.491 nan 8.230 nan 0.000 0.432 447 Y N 0.257 120.601 120.300 0.074 0.000 2.193 447 Y HA -0.298 4.252 4.550 0.000 0.000 0.285 447 Y C 1.785 177.697 175.900 0.019 0.000 1.166 447 Y CA 1.730 59.854 58.100 0.040 0.000 1.181 447 Y CB -0.074 38.398 38.460 0.020 0.000 0.976 447 Y HN 0.183 nan 8.280 nan 0.000 0.520 448 D N -1.117 119.413 120.400 0.217 0.000 2.720 448 D HA 0.035 4.675 4.640 0.000 0.000 0.285 448 D C 1.522 177.863 176.300 0.068 0.000 1.359 448 D CA -0.063 53.999 54.000 0.102 0.000 0.818 448 D CB -0.400 40.391 40.800 -0.015 0.000 1.108 448 D HN 0.250 nan 8.370 nan 0.000 0.474 449 L N 1.522 122.817 121.223 0.120 0.000 2.089 449 L HA -0.240 4.100 4.340 0.000 0.000 0.213 449 L C 1.588 178.497 176.870 0.065 0.000 1.079 449 L CA 2.073 56.989 54.840 0.127 0.000 0.758 449 L CB -0.610 41.566 42.059 0.196 0.000 0.891 449 L HN 0.172 nan 8.230 nan 0.000 0.433 450 N N -0.092 118.674 118.700 0.110 0.000 2.459 450 N HA -0.074 4.666 4.740 0.000 0.000 0.181 450 N C 1.552 177.038 175.510 -0.039 0.000 1.046 450 N CA 1.143 54.275 53.050 0.137 0.000 0.904 450 N CB -0.817 37.892 38.487 0.371 0.000 0.964 450 N HN 0.364 nan 8.380 nan 0.000 0.444 451 A N 0.493 123.257 122.820 -0.093 0.000 2.216 451 A HA 0.106 4.426 4.320 0.000 0.000 0.214 451 A C 2.059 179.446 177.584 -0.329 0.000 1.160 451 A CA 0.278 52.176 52.037 -0.232 0.000 0.725 451 A CB -0.793 18.078 19.000 -0.215 0.000 0.784 451 A HN 0.352 nan 8.150 nan 0.000 0.472 452 L N -1.092 119.871 121.223 -0.434 0.000 2.127 452 L HA -0.267 4.073 4.340 0.000 0.000 0.211 452 L C 3.073 179.500 176.870 -0.738 0.000 1.089 452 L CA 1.065 55.539 54.840 -0.610 0.000 0.757 452 L CB -0.561 41.072 42.059 -0.710 0.000 0.899 452 L HN 0.494 nan 8.230 nan 0.000 0.434 453 A N 0.361 122.694 122.820 -0.812 0.000 1.865 453 A HA -0.215 4.105 4.320 0.000 0.000 0.217 453 A C 2.192 179.736 177.584 -0.066 0.000 1.191 453 A CA 1.578 53.529 52.037 -0.144 0.000 0.623 453 A CB -0.824 18.373 19.000 0.327 0.000 0.826 453 A HN 0.372 nan 8.150 nan 0.000 0.444 454 L N -0.661 120.428 121.223 -0.223 0.000 2.189 454 L HA -0.180 4.160 4.340 0.000 0.000 0.214 454 L C 2.113 178.892 176.870 -0.151 0.000 1.097 454 L CA 0.837 55.528 54.840 -0.248 0.000 0.764 454 L CB -0.419 41.358 42.059 -0.469 0.000 0.900 454 L HN 0.377 nan 8.230 nan 0.000 0.436 455 L N -1.153 119.982 121.223 -0.147 0.000 2.554 455 L HA -0.043 4.297 4.340 0.000 0.000 0.226 455 L C 2.293 179.153 176.870 -0.017 0.000 1.137 455 L CA 0.208 54.995 54.840 -0.089 0.000 0.863 455 L CB -0.288 41.711 42.059 -0.100 0.000 0.985 455 L HN 0.131 nan 8.230 nan 0.000 0.451 456 R N 0.181 120.690 120.500 0.016 0.000 2.241 456 R HA -0.058 4.282 4.340 0.000 0.000 0.224 456 R C 0.199 176.533 176.300 0.056 0.000 1.101 456 R CA 0.774 56.913 56.100 0.067 0.000 0.995 456 R CB -0.056 30.314 30.300 0.118 0.000 0.870 456 R HN 0.417 nan 8.270 nan 0.000 0.463 457 Q N 0.693 120.513 119.800 0.034 0.000 2.490 457 Q HA 0.305 4.646 4.340 0.000 0.000 0.255 457 Q C -1.323 174.693 176.000 0.026 0.000 0.997 457 Q CA -0.533 55.296 55.803 0.043 0.000 0.709 457 Q CB 2.027 30.803 28.738 0.063 0.000 1.255 457 Q HN 0.011 nan 8.270 nan 0.000 0.486 458 V N -1.350 118.586 119.914 0.036 0.000 2.962 458 V HA 0.575 4.695 4.120 0.000 0.000 0.313 458 V C 0.646 176.772 176.094 0.053 0.000 1.099 458 V CA -0.714 61.606 62.300 0.034 0.000 0.971 458 V CB 2.003 33.845 31.823 0.032 0.000 1.028 458 V HN 0.622 nan 8.190 nan 0.000 0.430 459 S N 0.508 116.240 115.700 0.053 0.000 2.575 459 S HA 0.764 5.234 4.470 0.000 0.000 0.215 459 S C 0.514 175.152 174.600 0.064 0.000 0.966 459 S CA 0.294 58.530 58.200 0.059 0.000 0.911 459 S CB -0.042 63.193 63.200 0.058 0.000 0.780 459 S HN 2.195 nan 8.310 nan 0.000 0.514 460 A N 1.220 124.086 122.820 0.077 0.000 2.590 460 A HA 0.634 4.954 4.320 0.000 0.000 0.294 460 A C -3.343 174.329 177.584 0.148 0.000 1.046 460 A CA -1.427 50.671 52.037 0.101 0.000 0.684 460 A CB 0.240 19.290 19.000 0.083 0.000 1.279 460 A HN 0.061 nan 8.150 nan 0.000 0.415 461 P HA 0.284 nan 4.420 nan 0.000 0.262 461 P C -0.664 176.841 177.300 0.341 0.000 1.182 461 P CA 0.437 63.701 63.100 0.274 0.000 0.761 461 P CB 0.505 32.455 31.700 0.417 0.000 0.795 462 L N 4.169 125.529 121.223 0.229 0.000 2.356 462 L HA 0.459 4.800 4.340 0.000 0.000 0.277 462 L C -0.957 175.981 176.870 0.113 0.000 0.996 462 L CA -0.915 54.063 54.840 0.229 0.000 0.822 462 L CB 1.808 43.941 42.059 0.123 0.000 1.256 462 L HN 0.004 nan 8.230 nan 0.000 0.413 463 V N 5.578 125.561 119.914 0.115 0.000 2.427 463 V HA 0.378 4.498 4.120 0.000 0.000 0.286 463 V C -0.369 175.744 176.094 0.031 0.000 1.034 463 V CA -0.568 61.688 62.300 -0.074 0.000 0.893 463 V CB 1.597 33.237 31.823 -0.305 0.000 0.982 463 V HN 0.569 nan 8.190 nan 0.000 0.452 464 L N 7.364 128.564 121.223 -0.037 0.000 2.298 464 L HA 0.618 4.958 4.340 0.000 0.000 0.284 464 L C -0.472 176.355 176.870 -0.072 0.000 1.013 464 L CA 0.044 54.870 54.840 -0.022 0.000 0.824 464 L CB 0.966 43.000 42.059 -0.042 0.000 1.221 464 L HN 0.529 nan 8.230 nan 0.000 0.418 465 I N 5.895 126.447 120.570 -0.029 0.000 2.315 465 I HA 0.335 4.505 4.170 0.000 0.000 0.291 465 I C -0.449 175.616 176.117 -0.088 0.000 1.006 465 I CA -0.806 60.451 61.300 -0.072 0.000 1.265 465 I CB 1.504 39.498 38.000 -0.011 0.000 1.387 465 I HN 0.246 nan 8.210 nan 0.000 0.475 466 V N 7.364 127.190 119.914 -0.146 0.000 2.304 466 V HA 0.179 4.299 4.120 0.000 0.000 0.269 466 V C 0.239 176.270 176.094 -0.105 0.000 1.036 466 V CA -0.715 61.463 62.300 -0.204 0.000 0.840 466 V CB 1.106 32.664 31.823 -0.442 0.000 1.036 466 V HN 0.430 nan 8.190 nan 0.000 0.466 467 V N 4.786 124.663 119.914 -0.062 0.000 2.370 467 V HA 0.196 4.316 4.120 0.000 0.000 0.257 467 V C 0.531 176.638 176.094 0.021 0.000 1.064 467 V CA -0.107 62.175 62.300 -0.030 0.000 0.975 467 V CB 0.605 32.412 31.823 -0.026 0.000 1.067 467 V HN 0.843 nan 8.190 nan 0.000 0.485 468 N N 5.009 123.750 118.700 0.067 0.000 2.485 468 N HA 0.195 4.935 4.740 0.000 0.000 0.243 468 N C 0.347 175.904 175.510 0.078 0.000 0.987 468 N CA -0.470 52.660 53.050 0.134 0.000 0.940 468 N CB 0.956 39.599 38.487 0.260 0.000 1.122 468 N HN 0.711 nan 8.380 nan 0.000 0.509 469 N N 2.267 121.003 118.700 0.059 0.000 2.235 469 N HA 0.106 4.846 4.740 0.000 0.000 0.231 469 N C -0.470 175.066 175.510 0.044 0.000 1.177 469 N CA -0.449 52.625 53.050 0.041 0.000 0.874 469 N CB -0.239 38.264 38.487 0.027 0.000 1.097 469 N HN 0.375 nan 8.380 nan 0.000 0.518 470 N N 0.147 118.876 118.700 0.048 0.000 2.699 470 N HA -0.073 4.667 4.740 0.000 0.000 0.257 470 N C -0.058 175.479 175.510 0.045 0.000 1.077 470 N CA 1.338 54.405 53.050 0.028 0.000 0.702 470 N CB -1.275 37.217 38.487 0.008 0.000 0.886 470 N HN 0.944 nan 8.380 nan 0.000 0.549 471 G N -1.418 107.423 108.800 0.067 0.000 2.347 471 G HA2 0.424 4.384 3.960 0.000 0.000 0.341 471 G HA3 0.424 4.384 3.960 0.000 0.000 0.341 471 G C 0.076 175.044 174.900 0.112 0.000 1.287 471 G CA 0.044 45.201 45.100 0.095 0.000 0.984 471 G HN 0.918 nan 8.290 nan 0.000 0.526 472 G N -0.190 108.714 108.800 0.174 0.000 3.343 472 G HA2 0.444 4.405 3.960 0.000 0.000 0.279 472 G HA3 0.444 4.405 3.960 0.000 0.000 0.279 472 G C 0.797 175.742 174.900 0.075 0.000 0.919 472 G CA 0.027 45.219 45.100 0.153 0.000 1.812 472 G HN 0.476 nan 8.290 nan 0.000 0.584 473 Q N 0.889 120.703 119.800 0.023 0.000 2.541 473 Q HA -0.047 4.293 4.340 0.000 0.000 0.215 473 Q C 2.136 178.098 176.000 -0.065 0.000 0.977 473 Q CA 0.084 55.898 55.803 0.019 0.000 0.934 473 Q CB 0.069 28.819 28.738 0.020 0.000 0.988 473 Q HN 0.845 nan 8.270 nan 0.000 0.521 474 I N -0.484 119.955 120.570 -0.218 0.000 2.700 474 I HA -0.223 3.947 4.170 0.000 0.000 0.261 474 I C 0.507 176.423 176.117 -0.334 0.000 1.219 474 I CA 0.795 61.902 61.300 -0.322 0.000 1.463 474 I CB 0.022 37.744 38.000 -0.463 0.000 1.092 474 I HN -0.050 nan 8.210 nan 0.000 0.452 475 F N 0.109 120.088 119.950 0.047 0.000 2.765 475 F HA 0.144 4.671 4.527 0.001 0.000 0.302 475 F C 2.177 177.973 175.800 -0.008 0.000 1.111 475 F CA 0.127 58.148 58.000 0.035 0.000 1.359 475 F CB -0.313 38.755 39.000 0.112 0.000 1.097 475 F HN 0.011 nan 8.300 nan 0.000 0.577 476 S N -0.450 115.316 115.700 0.110 0.000 2.502 476 S HA 0.059 4.529 4.470 0.000 0.000 0.215 476 S C 1.795 176.409 174.600 0.024 0.000 1.009 476 S CA -0.032 58.202 58.200 0.058 0.000 0.908 476 S CB 0.039 63.268 63.200 0.048 0.000 0.801 476 S HN 0.295 nan 8.310 nan 0.000 0.505 477 L N 1.689 122.914 121.223 0.003 0.000 2.095 477 L HA 0.287 4.627 4.340 0.000 0.000 0.204 477 L C 0.364 177.235 176.870 0.002 0.000 1.080 477 L CA 1.225 56.058 54.840 -0.012 0.000 0.759 477 L CB -0.315 41.719 42.059 -0.041 0.000 0.914 477 L HN 0.212 nan 8.230 nan 0.000 0.439 478 L N 1.761 123.000 121.223 0.026 0.000 2.426 478 L HA 0.193 4.533 4.340 0.000 0.000 0.271 478 L C -1.545 175.341 176.870 0.026 0.000 1.169 478 L CA -1.370 53.501 54.840 0.052 0.000 0.836 478 L CB 0.151 42.297 42.059 0.146 0.000 1.112 478 L HN 0.082 nan 8.230 nan 0.000 0.465 479 P HA 0.025 nan 4.420 nan 0.000 0.237 479 P C 0.078 177.341 177.300 -0.062 0.000 1.723 479 P CA -0.342 62.747 63.100 -0.020 0.000 0.882 479 P CB -0.880 30.813 31.700 -0.011 0.000 1.810 480 T N -1.101 113.385 114.554 -0.114 0.000 2.906 480 T HA 0.125 4.475 4.350 0.000 0.000 0.320 480 T C -2.089 172.460 174.700 -0.252 0.000 1.088 480 T CA -1.400 60.519 62.100 -0.302 0.000 1.120 480 T CB -0.766 67.741 68.868 -0.602 0.000 1.000 480 T HN 0.093 nan 8.240 nan 0.000 0.550 481 P HA 0.076 nan 4.420 nan 0.000 0.265 481 P C 1.032 178.284 177.300 -0.079 0.000 1.222 481 P CA 0.004 63.035 63.100 -0.115 0.000 0.767 481 P CB 0.538 32.207 31.700 -0.052 0.000 0.801 482 Q N 1.901 121.678 119.800 -0.039 0.000 2.156 482 Q HA -0.225 4.115 4.340 0.000 0.000 0.211 482 Q C 1.986 178.005 176.000 0.032 0.000 0.995 482 Q CA 2.333 58.133 55.803 -0.006 0.000 0.877 482 Q CB -0.591 28.149 28.738 0.004 0.000 0.920 482 Q HN 0.529 nan 8.270 nan 0.000 0.416 483 S N 0.280 116.007 115.700 0.045 0.000 2.383 483 S HA -0.154 4.316 4.470 0.000 0.000 0.227 483 S C 1.413 176.093 174.600 0.133 0.000 1.026 483 S CA 1.346 59.590 58.200 0.073 0.000 0.981 483 S CB 0.106 63.343 63.200 0.062 0.000 0.818 483 S HN 0.295 nan 8.310 nan 0.000 0.472 484 E N 0.164 120.477 120.200 0.188 0.000 2.481 484 E HA 0.171 4.521 4.350 0.000 0.000 0.198 484 E C 1.907 178.769 176.600 0.437 0.000 1.027 484 E CA -0.033 56.589 56.400 0.370 0.000 0.900 484 E CB 0.145 30.081 29.700 0.393 0.000 0.993 484 E HN 0.696 nan 8.360 nan 0.000 0.482 485 R N 1.229 121.879 120.500 0.250 0.000 2.096 485 R HA -0.151 4.189 4.340 0.000 0.000 0.235 485 R C 2.010 178.452 176.300 0.238 0.000 1.127 485 R CA 1.818 58.057 56.100 0.232 0.000 0.968 485 R CB -0.203 30.088 30.300 -0.015 0.000 0.861 485 R HN 0.176 nan 8.270 nan 0.000 0.440 486 E N 0.609 120.891 120.200 0.138 0.000 2.051 486 E HA -0.236 4.114 4.350 0.000 0.000 0.192 486 E C 2.243 178.849 176.600 0.010 0.000 0.991 486 E CA 1.172 57.617 56.400 0.075 0.000 0.799 486 E CB -0.044 29.678 29.700 0.037 0.000 0.748 486 E HN 0.429 nan 8.360 nan 0.000 0.449 487 R N -1.280 119.178 120.500 -0.070 0.000 2.127 487 R HA -0.017 4.323 4.340 0.000 0.000 0.217 487 R C 1.132 177.134 176.300 -0.495 0.000 1.074 487 R CA 1.041 56.932 56.100 -0.349 0.000 0.991 487 R CB 0.090 30.029 30.300 -0.601 0.000 0.895 487 R HN 0.212 nan 8.270 nan 0.000 0.450 488 F N -2.224 117.703 119.950 -0.039 0.000 2.706 488 F HA 0.255 4.782 4.527 -0.000 0.000 0.308 488 F C 0.548 176.045 175.800 -0.504 0.000 1.095 488 F CA -0.211 57.643 58.000 -0.244 0.000 1.244 488 F CB 0.538 39.359 39.000 -0.299 0.000 1.063 488 F HN -0.052 nan 8.300 nan 0.000 0.582 489 Y N -1.216 119.072 120.300 -0.019 0.000 2.886 489 Y HA 0.205 4.755 4.550 0.000 0.000 0.244 489 Y C 1.966 177.856 175.900 -0.016 0.000 1.017 489 Y CA 0.046 58.021 58.100 -0.209 0.000 1.389 489 Y CB -0.304 38.015 38.460 -0.235 0.000 1.477 489 Y HN -0.291 nan 8.280 nan 0.000 0.466 490 L N 0.139 121.523 121.223 0.268 0.000 2.141 490 L HA -0.113 4.227 4.340 0.000 0.000 0.209 490 L C 0.462 177.424 176.870 0.154 0.000 1.094 490 L CA 0.620 55.614 54.840 0.257 0.000 0.763 490 L CB -0.807 41.361 42.059 0.182 0.000 0.908 490 L HN 0.358 nan 8.230 nan 0.000 0.437 491 M N 0.969 120.610 119.600 0.069 0.000 2.592 491 M HA -0.142 4.339 4.480 0.000 0.000 0.174 491 M C -2.113 174.200 176.300 0.021 0.000 1.069 491 M CA -0.304 55.000 55.300 0.006 0.000 0.619 491 M CB -1.627 30.965 32.600 -0.014 0.000 1.146 491 M HN 0.011 nan 8.290 nan 0.000 0.822 492 P HA -0.065 nan 4.420 nan 0.000 0.263 492 P C 0.102 177.388 177.300 -0.023 0.000 1.195 492 P CA 0.365 63.469 63.100 0.007 0.000 0.762 492 P CB 0.694 32.394 31.700 0.000 0.000 0.799 493 Q N 1.589 121.371 119.800 -0.030 0.000 2.408 493 Q HA 0.030 4.370 4.340 0.000 0.000 0.205 493 Q C 0.050 175.993 176.000 -0.095 0.000 0.919 493 Q CA 0.177 55.944 55.803 -0.059 0.000 0.932 493 Q CB -0.218 28.489 28.738 -0.052 0.000 1.058 493 Q HN 0.485 nan 8.270 nan 0.000 0.517 494 N N 0.153 118.787 118.700 -0.110 0.000 2.681 494 N HA -0.159 4.581 4.740 0.000 0.000 0.259 494 N C -0.954 174.425 175.510 -0.218 0.000 1.066 494 N CA 0.495 53.458 53.050 -0.144 0.000 0.717 494 N CB -1.364 37.069 38.487 -0.090 0.000 0.885 494 N HN 0.088 nan 8.380 nan 0.000 0.547 495 V N 0.158 119.864 119.914 -0.347 0.000 3.181 495 V HA 0.598 4.718 4.120 0.000 0.000 0.308 495 V C -0.644 175.032 176.094 -0.696 0.000 1.214 495 V CA -0.670 61.382 62.300 -0.413 0.000 1.053 495 V CB 2.586 34.197 31.823 -0.353 0.000 1.069 495 V HN 0.455 nan 8.190 nan 0.000 0.441 496 H N 1.595 120.475 119.070 -0.317 0.000 2.931 496 H HA 0.491 5.047 4.556 0.000 0.000 0.331 496 H C -1.205 173.839 175.328 -0.474 0.000 1.273 496 H CA -0.333 55.543 56.048 -0.286 0.000 1.171 496 H CB 1.812 31.547 29.762 -0.045 0.000 1.898 496 H HN 0.569 nan 8.280 nan 0.000 0.562 497 F N -0.355 119.706 119.950 0.184 0.000 2.735 497 F HA 0.170 4.697 4.527 0.000 0.000 0.308 497 F C 1.895 177.581 175.800 -0.191 0.000 1.112 497 F CA -0.127 57.931 58.000 0.098 0.000 1.235 497 F CB 0.595 39.720 39.000 0.208 0.000 1.027 497 F HN 0.532 nan 8.300 nan 0.000 0.528 498 E N -0.014 119.874 120.200 -0.520 0.000 2.046 498 E HA -0.172 4.178 4.350 0.000 0.000 0.190 498 E C 1.855 178.145 176.600 -0.518 0.000 0.982 498 E CA 1.206 56.866 56.400 -1.233 0.000 0.800 498 E CB 0.039 29.023 29.700 -1.192 0.000 0.756 498 E HN 0.405 nan 8.360 nan 0.000 0.449 499 H N -0.130 118.795 119.070 -0.241 0.000 2.389 499 H HA -0.014 4.542 4.556 0.000 0.000 0.299 499 H C 2.040 177.337 175.328 -0.050 0.000 1.081 499 H CA 1.286 57.255 56.048 -0.133 0.000 1.345 499 H CB -0.253 29.448 29.762 -0.101 0.000 1.393 499 H HN 0.303 nan 8.280 nan 0.000 0.520 500 A N 1.316 124.224 122.820 0.147 0.000 1.873 500 A HA -0.211 4.110 4.320 0.000 0.000 0.218 500 A C 2.734 180.486 177.584 0.281 0.000 1.193 500 A CA 2.292 54.475 52.037 0.243 0.000 0.629 500 A CB -1.018 18.169 19.000 0.311 0.000 0.826 500 A HN 0.452 nan 8.150 nan 0.000 0.447 501 A N -0.307 122.620 122.820 0.179 0.000 1.877 501 A HA 0.121 4.441 4.320 0.000 0.000 0.216 501 A C 2.566 180.228 177.584 0.129 0.000 1.186 501 A CA 2.450 54.595 52.037 0.180 0.000 0.620 501 A CB -1.219 17.885 19.000 0.173 0.000 0.822 501 A HN 1.229 nan 8.150 nan 0.000 0.443 502 A N -0.269 122.566 122.820 0.024 0.000 1.917 502 A HA -0.240 4.080 4.320 0.000 0.000 0.219 502 A C 2.316 179.902 177.584 0.004 0.000 1.182 502 A CA 2.341 54.379 52.037 0.002 0.000 0.633 502 A CB -0.656 18.325 19.000 -0.033 0.000 0.819 502 A HN 0.790 nan 8.150 nan 0.000 0.448 503 M N -1.843 117.742 119.600 -0.025 0.000 2.149 503 M HA -0.112 4.368 4.480 0.000 0.000 0.261 503 M C 0.894 176.977 176.300 -0.362 0.000 1.064 503 M CA 1.936 57.108 55.300 -0.213 0.000 1.102 503 M CB -0.191 32.213 32.600 -0.327 0.000 1.369 503 M HN 0.283 nan 8.290 nan 0.000 0.408 504 F N 1.066 121.049 119.950 0.056 0.000 2.664 504 F HA 0.282 4.809 4.527 0.000 0.000 0.303 504 F C 0.122 175.953 175.800 0.051 0.000 1.092 504 F CA -0.094 57.945 58.000 0.064 0.000 1.305 504 F CB -0.006 39.043 39.000 0.083 0.000 1.054 504 F HN 0.240 nan 8.300 nan 0.000 0.565 505 E N 0.937 121.222 120.200 0.141 0.000 2.340 505 E HA -0.200 4.150 4.350 0.000 0.000 0.240 505 E C -0.831 175.831 176.600 0.104 0.000 1.154 505 E CA 0.061 56.517 56.400 0.093 0.000 0.717 505 E CB -1.892 27.852 29.700 0.073 0.000 1.250 505 E HN 0.362 nan 8.360 nan 0.000 0.386 506 L N 0.840 122.134 121.223 0.118 0.000 2.341 506 L HA 0.385 4.725 4.340 0.000 0.000 0.278 506 L C 0.606 177.523 176.870 0.077 0.000 1.005 506 L CA -0.997 53.902 54.840 0.099 0.000 0.818 506 L CB 1.376 43.505 42.059 0.117 0.000 1.259 506 L HN -0.031 nan 8.230 nan 0.000 0.418 507 K N 2.292 122.717 120.400 0.043 0.000 2.550 507 K HA 0.006 4.326 4.320 0.000 0.000 0.280 507 K C -1.061 175.542 176.600 0.005 0.000 0.987 507 K CA 0.641 56.927 56.287 -0.002 0.000 1.048 507 K CB 0.250 32.749 32.500 -0.002 0.000 0.879 507 K HN 0.342 nan 8.250 nan 0.000 0.491 508 Y N 2.901 123.039 120.300 -0.269 0.000 2.425 508 Y HA 0.295 4.845 4.550 0.000 0.000 0.344 508 Y C -0.886 174.696 175.900 -0.530 0.000 0.969 508 Y CA -0.726 57.219 58.100 -0.257 0.000 1.052 508 Y CB 1.334 39.700 38.460 -0.156 0.000 1.215 508 Y HN 0.564 nan 8.280 nan 0.000 0.451 509 H N 5.382 124.008 119.070 -0.741 0.000 2.771 509 H HA 0.397 4.953 4.556 0.000 0.000 0.361 509 H C -1.072 173.760 175.328 -0.827 0.000 1.108 509 H CA -0.926 54.753 56.048 -0.615 0.000 1.201 509 H CB 2.340 31.880 29.762 -0.371 0.000 1.681 509 H HN 0.631 nan 8.280 nan 0.000 0.534 510 R N 3.706 123.981 120.500 -0.375 0.000 2.505 510 R HA 0.234 4.574 4.340 0.000 0.000 0.284 510 R C -2.581 173.675 176.300 -0.073 0.000 1.324 510 R CA -1.590 54.389 56.100 -0.203 0.000 1.432 510 R CB 0.473 30.750 30.300 -0.040 0.000 1.107 510 R HN 0.381 nan 8.270 nan 0.000 0.587 511 P HA 0.019 nan 4.420 nan 0.000 0.268 511 P C -0.456 176.855 177.300 0.017 0.000 1.205 511 P CA 0.089 63.159 63.100 -0.050 0.000 0.771 511 P CB 1.196 32.867 31.700 -0.049 0.000 0.858 512 Q N 1.211 120.913 119.800 -0.164 0.000 2.352 512 Q HA 0.068 4.408 4.340 0.000 0.000 0.212 512 Q C 0.108 175.514 176.000 -0.991 0.000 0.888 512 Q CA 0.275 55.911 55.803 -0.278 0.000 0.934 512 Q CB 0.216 28.858 28.738 -0.159 0.000 1.093 512 Q HN 0.642 nan 8.270 nan 0.000 0.523 513 N N -2.544 115.488 118.700 -1.113 0.000 2.647 513 N HA 0.116 4.856 4.740 0.000 0.000 0.266 513 N C -0.624 174.355 175.510 -0.886 0.000 1.373 513 N CA -0.867 51.349 53.050 -1.391 0.000 0.807 513 N CB -0.272 37.861 38.487 -0.590 0.000 1.513 513 N HN -0.090 nan 8.380 nan 0.000 0.505 514 W N -0.637 120.488 121.300 -0.292 0.000 2.341 514 W HA -0.106 4.554 4.660 0.000 0.000 0.283 514 W C 2.173 178.702 176.519 0.018 0.000 1.215 514 W CA 0.806 58.191 57.345 0.066 0.000 1.211 514 W CB -0.100 29.459 29.460 0.165 0.000 1.131 514 W HN 0.624 nan 8.180 nan 0.000 0.552 515 Q N 1.074 120.940 119.800 0.109 0.000 2.049 515 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 515 Q C 1.798 177.803 176.000 0.008 0.000 0.971 515 Q CA 1.675 57.521 55.803 0.071 0.000 0.833 515 Q CB -0.249 28.507 28.738 0.029 0.000 0.896 515 Q HN 0.433 nan 8.270 nan 0.000 0.434 516 E N 0.374 120.529 120.200 -0.075 0.000 2.106 516 E HA -0.178 4.172 4.350 0.000 0.000 0.192 516 E C 2.068 178.596 176.600 -0.120 0.000 0.984 516 E CA 0.755 57.090 56.400 -0.108 0.000 0.806 516 E CB -0.072 29.544 29.700 -0.140 0.000 0.750 516 E HN 0.167 nan 8.360 nan 0.000 0.458 517 L N 1.743 122.929 121.223 -0.062 0.000 2.012 517 L HA -0.209 4.131 4.340 0.000 0.000 0.210 517 L C 1.832 178.687 176.870 -0.025 0.000 1.073 517 L CA 1.906 56.706 54.840 -0.067 0.000 0.748 517 L CB -0.235 41.888 42.059 0.107 0.000 0.891 517 L HN 0.017 nan 8.230 nan 0.000 0.431 518 E N -1.161 119.108 120.200 0.115 0.000 2.150 518 E HA -0.172 4.178 4.350 0.000 0.000 0.193 518 E C 1.838 178.487 176.600 0.081 0.000 0.985 518 E CA 1.564 58.070 56.400 0.176 0.000 0.814 518 E CB -0.213 29.623 29.700 0.226 0.000 0.752 518 E HN 0.653 nan 8.360 nan 0.000 0.466 519 T N 1.244 115.789 114.554 -0.015 0.000 2.614 519 T HA -0.213 4.138 4.350 0.000 0.000 0.263 519 T C 2.152 176.736 174.700 -0.193 0.000 1.055 519 T CA 1.223 63.274 62.100 -0.081 0.000 1.162 519 T CB -0.603 68.198 68.868 -0.112 0.000 0.863 519 T HN 0.254 nan 8.240 nan 0.000 0.414 520 A N 1.650 124.249 122.820 -0.368 0.000 1.882 520 A HA -0.197 4.123 4.320 0.000 0.000 0.220 520 A C 2.062 179.405 177.584 -0.402 0.000 1.253 520 A CA 2.209 53.907 52.037 -0.565 0.000 0.664 520 A CB -1.473 17.144 19.000 -0.639 0.000 0.838 520 A HN 0.406 nan 8.150 nan 0.000 0.460 521 F N -0.106 119.650 119.950 -0.324 0.000 2.120 521 F HA -0.156 4.371 4.527 0.000 0.000 0.300 521 F C 2.818 178.407 175.800 -0.351 0.000 1.095 521 F CA 1.117 58.885 58.000 -0.387 0.000 1.249 521 F CB -0.752 38.125 39.000 -0.206 0.000 0.995 521 F HN 0.296 nan 8.300 nan 0.000 0.480 522 A N -0.428 122.434 122.820 0.070 0.000 1.855 522 A HA -0.242 4.078 4.320 0.000 0.000 0.215 522 A C 1.939 179.561 177.584 0.065 0.000 1.191 522 A CA 2.014 54.130 52.037 0.132 0.000 0.613 522 A CB -1.130 17.939 19.000 0.114 0.000 0.829 522 A HN 0.361 nan 8.150 nan 0.000 0.442 523 D N -0.461 119.922 120.400 -0.027 0.000 2.178 523 D HA 0.015 4.656 4.640 0.000 0.000 0.202 523 D C 1.945 178.219 176.300 -0.043 0.000 0.974 523 D CA 1.387 55.372 54.000 -0.025 0.000 0.841 523 D CB -0.144 40.623 40.800 -0.055 0.000 0.953 523 D HN 0.334 nan 8.370 nan 0.000 0.478 524 A N -0.033 122.683 122.820 -0.173 0.000 1.902 524 A HA -0.111 4.209 4.320 0.000 0.000 0.217 524 A C 1.746 179.275 177.584 -0.092 0.000 1.181 524 A CA 1.093 52.999 52.037 -0.218 0.000 0.623 524 A CB -1.296 17.437 19.000 -0.446 0.000 0.818 524 A HN 0.513 nan 8.150 nan 0.000 0.443 525 W N 0.384 121.744 121.300 0.100 0.000 3.216 525 W HA 0.091 4.752 4.660 0.000 0.000 0.247 525 W C 1.852 178.414 176.519 0.072 0.000 1.326 525 W CA 0.309 57.710 57.345 0.094 0.000 1.564 525 W CB 0.027 29.549 29.460 0.104 0.000 1.113 525 W HN 0.449 nan 8.180 nan 0.000 0.722 526 R N 0.899 121.531 120.500 0.219 0.000 2.393 526 R HA 0.141 4.482 4.340 0.000 0.000 0.244 526 R C 0.014 176.386 176.300 0.120 0.000 0.920 526 R CA 0.556 56.751 56.100 0.159 0.000 1.076 526 R CB -0.272 30.102 30.300 0.122 0.000 1.119 526 R HN -0.020 nan 8.270 nan 0.000 0.524 527 T N -1.809 112.818 114.554 0.122 0.000 2.916 527 T HA 0.392 4.742 4.350 0.000 0.000 0.305 527 T C -3.006 171.760 174.700 0.110 0.000 1.119 527 T CA -2.094 60.065 62.100 0.098 0.000 1.008 527 T CB 2.337 71.249 68.868 0.073 0.000 1.129 527 T HN -0.125 nan 8.240 nan 0.000 0.480 528 P HA 0.246 nan 4.420 nan 0.000 0.237 528 P C -0.387 176.962 177.300 0.082 0.000 1.788 528 P CA 0.031 63.188 63.100 0.095 0.000 1.061 528 P CB -0.961 30.787 31.700 0.079 0.000 1.967 529 T N -2.281 112.323 114.554 0.083 0.000 2.956 529 T HA 0.320 4.670 4.350 0.000 0.000 0.312 529 T C -0.213 174.521 174.700 0.057 0.000 1.151 529 T CA -0.623 61.516 62.100 0.065 0.000 1.024 529 T CB 0.721 69.624 68.868 0.057 0.000 1.140 529 T HN -0.084 nan 8.240 nan 0.000 0.473 530 T N 3.170 117.750 114.554 0.043 0.000 2.888 530 T HA 0.441 4.791 4.350 0.000 0.000 0.301 530 T C 0.045 174.751 174.700 0.010 0.000 1.001 530 T CA 0.043 62.158 62.100 0.025 0.000 1.147 530 T CB 0.361 69.237 68.868 0.013 0.000 0.931 530 T HN 0.764 nan 8.240 nan 0.000 0.541 531 T N 3.199 117.737 114.554 -0.028 0.000 2.824 531 T HA 0.461 4.811 4.350 0.000 0.000 0.282 531 T C -0.047 174.611 174.700 -0.070 0.000 0.993 531 T CA -0.607 61.467 62.100 -0.044 0.000 0.967 531 T CB 1.185 70.006 68.868 -0.079 0.000 0.960 531 T HN 0.339 nan 8.240 nan 0.000 0.441 532 V N 4.764 124.659 119.914 -0.031 0.000 2.509 532 V HA 0.521 4.641 4.120 0.000 0.000 0.284 532 V C -0.099 175.879 176.094 -0.193 0.000 1.047 532 V CA -0.580 61.694 62.300 -0.044 0.000 0.952 532 V CB 0.965 32.861 31.823 0.122 0.000 0.988 532 V HN 0.769 nan 8.190 nan 0.000 0.469 533 I N 3.637 124.056 120.570 -0.252 0.000 2.468 533 I HA 0.378 4.548 4.170 0.000 0.000 0.285 533 I C -0.206 175.741 176.117 -0.283 0.000 1.039 533 I CA -0.217 60.865 61.300 -0.362 0.000 1.074 533 I CB 1.978 39.727 38.000 -0.418 0.000 1.228 533 I HN 0.644 nan 8.210 nan 0.000 0.436 534 E N 7.346 127.365 120.200 -0.303 0.000 2.081 534 E HA 0.340 4.691 4.350 0.000 0.000 0.276 534 E C -0.816 175.736 176.600 -0.079 0.000 0.950 534 E CA -0.652 55.695 56.400 -0.089 0.000 0.776 534 E CB 1.039 30.844 29.700 0.174 0.000 1.094 534 E HN 0.485 nan 8.360 nan 0.000 0.402 535 M N 5.108 124.650 119.600 -0.098 0.000 2.151 535 M HA 0.168 4.648 4.480 0.000 0.000 0.349 535 M C -0.843 175.411 176.300 -0.078 0.000 1.284 535 M CA -0.440 54.768 55.300 -0.154 0.000 1.173 535 M CB 0.952 33.396 32.600 -0.260 0.000 1.469 535 M HN 0.296 nan 8.290 nan 0.000 0.439 536 V N 5.580 125.493 119.914 -0.001 0.000 2.530 536 V HA 0.410 4.530 4.120 0.000 0.000 0.282 536 V C 0.011 176.101 176.094 -0.006 0.000 1.048 536 V CA -0.267 62.071 62.300 0.064 0.000 0.997 536 V CB 1.415 33.329 31.823 0.153 0.000 0.987 536 V HN 0.665 nan 8.190 nan 0.000 0.477 537 V N 2.617 122.532 119.914 0.001 0.000 3.087 537 V HA 0.633 4.753 4.120 0.000 0.000 0.306 537 V C -0.452 175.650 176.094 0.015 0.000 1.187 537 V CA -1.381 60.903 62.300 -0.027 0.000 0.999 537 V CB 2.244 34.011 31.823 -0.093 0.000 1.049 537 V HN 0.647 nan 8.190 nan 0.000 0.431 538 N N 2.661 121.374 118.700 0.021 0.000 2.412 538 N HA 0.027 4.768 4.740 0.000 0.000 0.258 538 N C 0.855 176.380 175.510 0.025 0.000 1.236 538 N CA 0.959 54.028 53.050 0.031 0.000 0.882 538 N CB 1.023 39.532 38.487 0.036 0.000 1.066 538 N HN 1.075 nan 8.380 nan 0.000 0.465 539 D N 0.976 121.394 120.400 0.030 0.000 2.268 539 D HA -0.294 4.346 4.640 0.000 0.000 0.189 539 D C 1.267 177.584 176.300 0.028 0.000 1.010 539 D CA 2.867 56.886 54.000 0.031 0.000 0.862 539 D CB -0.551 40.269 40.800 0.034 0.000 0.943 539 D HN 0.635 nan 8.370 nan 0.000 0.451 540 T N -4.792 109.779 114.554 0.027 0.000 3.001 540 T HA 0.111 4.462 4.350 0.000 0.000 0.251 540 T C 1.155 175.867 174.700 0.020 0.000 1.040 540 T CA 0.159 62.273 62.100 0.024 0.000 0.985 540 T CB 0.062 68.945 68.868 0.026 0.000 1.011 540 T HN -0.107 nan 8.240 nan 0.000 0.509 541 D N 2.422 122.835 120.400 0.022 0.000 2.149 541 D HA -0.076 4.564 4.640 0.000 0.000 0.194 541 D C 2.249 178.561 176.300 0.020 0.000 1.001 541 D CA 1.697 55.712 54.000 0.025 0.000 0.849 541 D CB -0.916 39.903 40.800 0.031 0.000 0.939 541 D HN 0.565 nan 8.370 nan 0.000 0.449 542 G N 0.908 109.717 108.800 0.015 0.000 2.587 542 G HA2 -0.235 3.726 3.960 0.000 0.000 0.217 542 G HA3 -0.235 3.726 3.960 0.000 0.000 0.217 542 G C 1.763 176.666 174.900 0.004 0.000 1.240 542 G CA 1.922 47.028 45.100 0.010 0.000 0.794 542 G HN 0.430 nan 8.290 nan 0.000 0.580 543 A N 0.006 122.825 122.820 -0.001 0.000 1.908 543 A HA -0.173 4.147 4.320 0.000 0.000 0.218 543 A C 2.341 179.924 177.584 -0.002 0.000 1.181 543 A CA 2.321 54.354 52.037 -0.006 0.000 0.627 543 A CB -0.651 18.345 19.000 -0.006 0.000 0.818 543 A HN 0.489 nan 8.150 nan 0.000 0.445 544 Q N -1.120 118.683 119.800 0.006 0.000 2.030 544 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 544 Q C 2.225 178.228 176.000 0.005 0.000 0.986 544 Q CA 2.451 58.259 55.803 0.008 0.000 0.843 544 Q CB -0.325 28.422 28.738 0.015 0.000 0.904 544 Q HN 0.672 nan 8.270 nan 0.000 0.420 545 T N 1.080 115.639 114.554 0.008 0.000 2.684 545 T HA -0.178 4.172 4.350 0.000 0.000 0.267 545 T C 1.635 176.331 174.700 -0.006 0.000 1.036 545 T CA 1.270 63.374 62.100 0.006 0.000 1.148 545 T CB -0.393 68.484 68.868 0.016 0.000 0.863 545 T HN 0.200 nan 8.240 nan 0.000 0.436 546 L N 1.187 122.405 121.223 -0.009 0.000 2.012 546 L HA -0.126 4.214 4.340 0.000 0.000 0.210 546 L C 2.446 179.301 176.870 -0.025 0.000 1.073 546 L CA 1.790 56.618 54.840 -0.020 0.000 0.748 546 L CB -0.914 41.132 42.059 -0.021 0.000 0.891 546 L HN 0.287 nan 8.230 nan 0.000 0.431 547 Q N -1.006 118.782 119.800 -0.020 0.000 2.002 547 Q HA -0.291 4.049 4.340 0.000 0.000 0.204 547 Q C 2.224 178.208 176.000 -0.026 0.000 0.988 547 Q CA 2.283 58.072 55.803 -0.023 0.000 0.843 547 Q CB -0.264 28.465 28.738 -0.014 0.000 0.908 547 Q HN 0.636 nan 8.270 nan 0.000 0.420 548 Q N 0.255 120.046 119.800 -0.015 0.000 2.118 548 Q HA -0.232 4.108 4.340 0.000 0.000 0.211 548 Q C 2.158 178.144 176.000 -0.022 0.000 0.998 548 Q CA 1.545 57.341 55.803 -0.012 0.000 0.872 548 Q CB -0.288 28.450 28.738 -0.000 0.000 0.925 548 Q HN 0.374 nan 8.270 nan 0.000 0.414 549 L N -0.096 121.111 121.223 -0.026 0.000 1.994 549 L HA -0.220 4.120 4.340 0.000 0.000 0.208 549 L C 2.358 179.202 176.870 -0.043 0.000 1.071 549 L CA 0.802 55.623 54.840 -0.032 0.000 0.745 549 L CB -0.449 41.588 42.059 -0.036 0.000 0.892 549 L HN 0.245 nan 8.230 nan 0.000 0.431 550 L N -0.292 120.900 121.223 -0.052 0.000 1.991 550 L HA -0.365 3.976 4.340 0.000 0.000 0.221 550 L C 2.797 179.600 176.870 -0.111 0.000 1.079 550 L CA 1.906 56.703 54.840 -0.071 0.000 0.778 550 L CB -0.590 41.429 42.059 -0.067 0.000 0.893 550 L HN 0.318 nan 8.230 nan 0.000 0.437 551 A N -1.132 121.615 122.820 -0.121 0.000 1.859 551 A HA -0.360 3.960 4.320 0.000 0.000 0.217 551 A C 2.215 179.652 177.584 -0.246 0.000 1.198 551 A CA 2.280 54.189 52.037 -0.214 0.000 0.629 551 A CB -0.904 18.035 19.000 -0.102 0.000 0.830 551 A HN 0.611 nan 8.150 nan 0.000 0.446 552 Q N -0.431 119.323 119.800 -0.076 0.000 2.061 552 Q HA -0.157 4.184 4.340 0.000 0.000 0.204 552 Q C 1.922 177.926 176.000 0.006 0.000 0.984 552 Q CA 2.369 58.174 55.803 0.004 0.000 0.846 552 Q CB -0.230 28.517 28.738 0.014 0.000 0.902 552 Q HN 0.413 nan 8.270 nan 0.000 0.421 553 V N 1.095 120.998 119.914 -0.018 0.000 2.667 553 V HA -0.165 3.955 4.120 0.000 0.000 0.252 553 V C 2.384 178.482 176.094 0.006 0.000 1.065 553 V CA 1.549 63.856 62.300 0.012 0.000 1.083 553 V CB -0.430 31.408 31.823 0.026 0.000 0.692 553 V HN 0.519 nan 8.190 nan 0.000 0.468 554 S N -0.846 114.805 115.700 -0.082 0.000 2.507 554 S HA -0.189 4.281 4.470 0.000 0.000 0.235 554 S C 1.642 176.250 174.600 0.014 0.000 0.988 554 S CA 1.391 59.538 58.200 -0.087 0.000 0.944 554 S CB -0.587 62.492 63.200 -0.203 0.000 0.762 554 S HN 0.795 nan 8.310 nan 0.000 0.526 555 H N -0.327 118.758 119.070 0.024 0.000 2.604 555 H HA 0.339 4.895 4.556 0.000 0.000 0.273 555 H C 0.454 175.792 175.328 0.017 0.000 0.971 555 H CA -0.099 55.960 56.048 0.019 0.000 1.249 555 H CB 0.270 30.040 29.762 0.014 0.000 1.449 555 H HN 0.395 nan 8.280 nan 0.000 0.512 556 L N 0.000 121.306 121.223 0.138 0.000 2.949 556 L HA 0.000 4.340 4.340 0.000 0.000 0.249 556 L CA 0.000 54.886 54.840 0.076 0.000 0.813 556 L CB 0.000 42.090 42.059 0.052 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502