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_J 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 AEPLYGEMDD 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 0.000 176.290 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 2 S N 1.394 117.101 115.700 0.011 0.000 2.509 2 S HA 0.217 4.689 4.470 0.002 0.000 0.287 2 S C 0.660 175.293 174.600 0.054 0.000 1.248 2 S CA -0.366 57.853 58.200 0.032 0.000 1.089 2 S CB 0.352 63.578 63.200 0.043 0.000 0.900 2 S HN 0.393 nan 8.310 nan 0.000 0.496 3 V N 5.394 125.332 119.914 0.040 0.000 2.488 3 V HA -0.053 4.069 4.120 0.002 0.000 0.246 3 V C 2.597 178.734 176.094 0.072 0.000 1.046 3 V CA 1.696 64.031 62.300 0.059 0.000 1.053 3 V CB -1.160 30.675 31.823 0.020 0.000 0.679 3 V HN 0.917 nan 8.190 nan 0.000 0.458 4 S N 0.893 116.618 115.700 0.042 0.000 2.353 4 S HA -0.256 4.215 4.470 0.002 0.000 0.222 4 S C 2.185 176.804 174.600 0.031 0.000 1.035 4 S CA 2.055 60.265 58.200 0.017 0.000 1.025 4 S CB -0.467 62.748 63.200 0.025 0.000 0.902 4 S HN 0.611 nan 8.310 nan 0.000 0.440 5 A N 0.424 123.281 122.820 0.061 0.000 1.908 5 A HA -0.029 4.293 4.320 0.002 0.000 0.218 5 A C 2.077 179.728 177.584 0.112 0.000 1.181 5 A CA 1.841 53.924 52.037 0.076 0.000 0.627 5 A CB -1.137 17.913 19.000 0.084 0.000 0.818 5 A HN 0.715 nan 8.150 nan 0.000 0.445 6 F N 1.185 121.130 119.950 -0.009 0.000 2.128 6 F HA -0.124 4.404 4.527 0.001 0.000 0.295 6 F C 1.958 177.778 175.800 0.033 0.000 1.100 6 F CA 1.776 59.760 58.000 -0.027 0.000 1.260 6 F CB -0.434 38.497 39.000 -0.114 0.000 1.009 6 F HN 0.205 nan 8.300 nan 0.000 0.476 7 N N 0.813 119.511 118.700 -0.004 0.000 2.069 7 N HA -0.273 4.468 4.740 0.002 0.000 0.196 7 N C 1.962 177.485 175.510 0.023 0.000 1.024 7 N CA 1.829 54.892 53.050 0.023 0.000 0.869 7 N CB -0.557 37.975 38.487 0.074 0.000 1.035 7 N HN 0.268 nan 8.380 nan 0.000 0.434 8 R N 0.537 121.020 120.500 -0.027 0.000 2.115 8 R HA -0.057 4.284 4.340 0.002 0.000 0.239 8 R C 2.206 178.534 176.300 0.046 0.000 1.133 8 R CA 1.649 57.742 56.100 -0.011 0.000 0.935 8 R CB -0.019 30.282 30.300 0.000 0.000 0.853 8 R HN 0.255 nan 8.270 nan 0.000 0.433 9 R N -0.436 120.073 120.500 0.015 0.000 2.081 9 R HA -0.217 4.124 4.340 0.002 0.000 0.235 9 R C 2.128 178.521 176.300 0.156 0.000 1.131 9 R CA 1.431 57.581 56.100 0.084 0.000 0.960 9 R CB -0.837 29.512 30.300 0.081 0.000 0.856 9 R HN 0.537 nan 8.270 nan 0.000 0.436 10 W N 1.925 123.051 121.300 -0.291 0.000 2.358 10 W HA -0.181 4.479 4.660 0.001 0.000 0.303 10 W C 1.957 178.550 176.519 0.123 0.000 1.208 10 W CA 1.831 59.064 57.345 -0.187 0.000 1.274 10 W CB -0.322 28.837 29.460 -0.501 0.000 1.138 10 W HN 0.099 nan 8.180 nan 0.000 0.515 11 A N 1.380 124.457 122.820 0.429 0.000 1.841 11 A HA -0.138 4.183 4.320 0.002 0.000 0.216 11 A C 2.264 179.988 177.584 0.232 0.000 1.199 11 A CA 3.161 55.405 52.037 0.345 0.000 0.621 11 A CB -1.607 17.514 19.000 0.201 0.000 0.835 11 A HN 0.385 nan 8.150 nan 0.000 0.445 12 A N -0.809 122.144 122.820 0.222 0.000 2.023 12 A HA -0.160 4.161 4.320 0.002 0.000 0.223 12 A C 2.216 180.036 177.584 0.393 0.000 1.180 12 A CA 2.335 54.540 52.037 0.280 0.000 0.659 12 A CB -1.086 18.057 19.000 0.239 0.000 0.817 12 A HN 0.528 nan 8.150 nan 0.000 0.466 13 V N -0.249 119.869 119.914 0.341 0.000 2.323 13 V HA -0.224 3.897 4.120 0.002 0.000 0.244 13 V C 2.388 178.534 176.094 0.085 0.000 1.041 13 V CA 1.800 64.238 62.300 0.230 0.000 1.025 13 V CB -0.628 31.223 31.823 0.047 0.000 0.656 13 V HN 0.596 nan 8.190 nan 0.000 0.451 14 I N -0.361 120.233 120.570 0.040 0.000 2.127 14 I HA -0.290 3.881 4.170 0.002 0.000 0.241 14 I C 2.371 178.568 176.117 0.133 0.000 1.075 14 I CA 1.791 63.109 61.300 0.030 0.000 1.334 14 I CB -0.318 37.716 38.000 0.057 0.000 1.040 14 I HN 0.252 nan 8.210 nan 0.000 0.405 15 L N 0.196 121.542 121.223 0.205 0.000 2.093 15 L HA -0.206 4.135 4.340 0.002 0.000 0.208 15 L C 2.535 179.611 176.870 0.344 0.000 1.085 15 L CA 1.216 56.236 54.840 0.300 0.000 0.755 15 L CB -0.385 41.869 42.059 0.325 0.000 0.904 15 L HN 0.170 nan 8.230 nan 0.000 0.435 16 E N 0.105 120.479 120.200 0.289 0.000 2.153 16 E HA -0.210 4.142 4.350 0.002 0.000 0.194 16 E C 2.126 178.838 176.600 0.187 0.000 0.988 16 E CA 1.249 57.770 56.400 0.202 0.000 0.811 16 E CB -0.063 29.774 29.700 0.229 0.000 0.746 16 E HN 0.412 nan 8.360 nan 0.000 0.466 17 A N 0.367 123.342 122.820 0.258 0.000 1.902 17 A HA -0.154 4.167 4.320 0.002 0.000 0.217 17 A C 2.190 179.956 177.584 0.302 0.000 1.181 17 A CA 1.419 53.635 52.037 0.299 0.000 0.623 17 A CB -0.697 18.394 19.000 0.151 0.000 0.818 17 A HN 0.336 nan 8.150 nan 0.000 0.443 18 L N -0.616 120.758 121.223 0.251 0.000 2.131 18 L HA -0.152 4.190 4.340 0.002 0.000 0.210 18 L C 2.642 179.663 176.870 0.253 0.000 1.092 18 L CA 1.624 56.622 54.840 0.264 0.000 0.759 18 L CB -1.296 40.924 42.059 0.268 0.000 0.903 18 L HN 0.334 nan 8.230 nan 0.000 0.435 19 T N -0.314 114.321 114.554 0.134 0.000 2.778 19 T HA -0.219 4.132 4.350 0.002 0.000 0.269 19 T C 1.828 176.499 174.700 -0.048 0.000 1.050 19 T CA 1.433 63.487 62.100 -0.077 0.000 1.137 19 T CB -0.235 68.492 68.868 -0.234 0.000 0.860 19 T HN 0.273 nan 8.240 nan 0.000 0.468 20 R N 0.429 120.929 120.500 0.001 0.000 2.310 20 R HA 0.128 4.469 4.340 0.002 0.000 0.202 20 R C 0.831 177.006 176.300 -0.208 0.000 0.933 20 R CA 0.438 56.468 56.100 -0.117 0.000 1.054 20 R CB 0.031 30.232 30.300 -0.165 0.000 0.985 20 R HN 0.586 nan 8.270 nan 0.000 0.489 21 H N -1.026 118.052 119.070 0.015 0.000 2.481 21 H HA 0.265 4.823 4.556 0.002 0.000 0.273 21 H C 0.526 175.865 175.328 0.019 0.000 1.145 21 H CA 0.060 56.120 56.048 0.020 0.000 0.964 21 H CB 0.828 30.611 29.762 0.034 0.000 1.722 21 H HN 0.331 nan 8.280 nan 0.000 0.573 22 G N 1.387 110.238 108.800 0.084 0.000 2.198 22 G HA2 -0.290 3.672 3.960 0.002 0.000 0.260 22 G HA3 -0.290 3.672 3.960 0.002 0.000 0.260 22 G C 0.138 175.083 174.900 0.075 0.000 1.025 22 G CA 0.258 45.389 45.100 0.051 0.000 0.769 22 G HN 0.279 nan 8.290 nan 0.000 0.507 23 V N 0.955 120.937 119.914 0.113 0.000 2.364 23 V HA 0.472 4.593 4.120 0.002 0.000 0.272 23 V C 1.278 177.474 176.094 0.171 0.000 1.036 23 V CA -0.471 61.929 62.300 0.166 0.000 0.880 23 V CB 1.257 33.232 31.823 0.253 0.000 0.991 23 V HN 0.363 nan 8.190 nan 0.000 0.460 24 R N 1.594 122.153 120.500 0.098 0.000 2.225 24 R HA 0.228 4.569 4.340 0.002 0.000 0.194 24 R C 0.288 176.591 176.300 0.006 0.000 0.949 24 R CA 0.161 56.248 56.100 -0.023 0.000 1.088 24 R CB 0.327 30.479 30.300 -0.247 0.000 1.106 24 R HN 0.646 nan 8.270 nan 0.000 0.566 25 H N 0.896 120.072 119.070 0.177 0.000 2.527 25 H HA 0.363 4.920 4.556 0.002 0.000 0.321 25 H C -0.480 174.894 175.328 0.078 0.000 1.087 25 H CA -0.306 55.835 56.048 0.155 0.000 1.337 25 H CB 1.858 31.694 29.762 0.123 0.000 1.440 25 H HN 0.009 nan 8.280 nan 0.000 0.490 26 I N 3.033 123.688 120.570 0.142 0.000 2.499 26 I HA 0.203 4.374 4.170 0.002 0.000 0.288 26 I C -0.833 175.347 176.117 0.105 0.000 1.048 26 I CA -0.417 60.859 61.300 -0.039 0.000 1.062 26 I CB 0.749 38.483 38.000 -0.444 0.000 1.238 26 I HN 0.504 nan 8.210 nan 0.000 0.426 27 C N 7.824 127.169 119.300 0.075 0.000 2.273 27 C HA 0.583 5.044 4.460 0.002 0.000 0.328 27 C C 0.062 175.096 174.990 0.073 0.000 1.275 27 C CA -0.609 58.471 59.018 0.104 0.000 1.704 27 C CB -0.357 27.407 27.740 0.040 0.000 2.326 27 C HN 0.489 nan 8.230 nan 0.000 0.517 28 I N 3.360 123.989 120.570 0.098 0.000 2.389 28 I HA 0.544 4.716 4.170 0.002 0.000 0.288 28 I C 0.407 176.575 176.117 0.086 0.000 0.999 28 I CA 0.005 61.350 61.300 0.076 0.000 1.129 28 I CB 1.244 39.284 38.000 0.066 0.000 1.288 28 I HN 0.729 nan 8.210 nan 0.000 0.444 29 A N 8.407 131.272 122.820 0.075 0.000 2.312 29 A HA 0.878 5.199 4.320 0.002 0.000 0.328 29 A C -2.544 175.086 177.584 0.077 0.000 1.158 29 A CA -1.526 50.558 52.037 0.079 0.000 0.821 29 A CB 0.536 19.576 19.000 0.067 0.000 1.170 29 A HN 0.420 nan 8.150 nan 0.000 0.490 30 P HA 0.593 nan 4.420 nan 0.000 0.277 30 P C 0.162 177.502 177.300 0.068 0.000 1.240 30 P CA 0.156 63.302 63.100 0.077 0.000 0.798 30 P CB 1.538 33.289 31.700 0.086 0.000 0.979 31 G N -0.922 107.915 108.800 0.062 0.000 2.320 31 G HA2 0.295 4.256 3.960 0.002 0.000 0.296 31 G HA3 0.295 4.256 3.960 0.002 0.000 0.296 31 G C -0.124 174.818 174.900 0.069 0.000 1.306 31 G CA -0.001 45.136 45.100 0.062 0.000 0.836 31 G HN 0.361 nan 8.290 nan 0.000 0.517 32 S N -1.543 114.200 115.700 0.072 0.000 2.748 32 S HA 0.087 4.558 4.470 0.002 0.000 0.241 32 S C 2.117 176.731 174.600 0.023 0.000 1.064 32 S CA 0.807 59.067 58.200 0.099 0.000 0.892 32 S CB -0.027 63.255 63.200 0.137 0.000 0.810 32 S HN 0.487 nan 8.310 nan 0.000 0.555 33 R N 2.440 122.957 120.500 0.028 0.000 2.152 33 R HA 0.032 4.373 4.340 0.002 0.000 0.232 33 R C 1.942 178.227 176.300 -0.025 0.000 1.117 33 R CA 1.952 58.061 56.100 0.014 0.000 0.981 33 R CB -0.749 29.594 30.300 0.071 0.000 0.870 33 R HN 0.475 nan 8.270 nan 0.000 0.451 34 S N -2.210 113.484 115.700 -0.011 0.000 2.603 34 S HA 0.000 4.472 4.470 0.002 0.000 0.220 34 S C 1.601 176.130 174.600 -0.118 0.000 0.967 34 S CA 0.688 58.872 58.200 -0.027 0.000 0.920 34 S CB -0.076 63.142 63.200 0.031 0.000 0.773 34 S HN 0.204 nan 8.310 nan 0.000 0.529 35 T N 3.322 117.770 114.554 -0.177 0.000 2.708 35 T HA -0.020 4.331 4.350 0.002 0.000 0.266 35 T C 1.526 176.078 174.700 -0.246 0.000 1.037 35 T CA 1.795 63.787 62.100 -0.181 0.000 1.146 35 T CB -0.615 68.131 68.868 -0.204 0.000 0.865 35 T HN 0.427 nan 8.240 nan 0.000 0.435 36 L N 0.878 121.839 121.223 -0.436 0.000 1.997 36 L HA -0.127 4.215 4.340 0.002 0.000 0.216 36 L C 2.453 179.186 176.870 -0.230 0.000 1.074 36 L CA 1.685 56.267 54.840 -0.430 0.000 0.763 36 L CB -1.132 40.412 42.059 -0.860 0.000 0.890 36 L HN 0.228 nan 8.230 nan 0.000 0.434 37 L N -1.081 120.013 121.223 -0.215 0.000 2.093 37 L HA -0.165 4.176 4.340 0.002 0.000 0.208 37 L C 2.548 179.413 176.870 -0.009 0.000 1.085 37 L CA 1.582 56.405 54.840 -0.028 0.000 0.755 37 L CB -0.989 41.094 42.059 0.040 0.000 0.904 37 L HN 0.359 nan 8.230 nan 0.000 0.435 38 T N 0.102 114.635 114.554 -0.036 0.000 2.857 38 T HA -0.057 4.294 4.350 0.002 0.000 0.266 38 T C 2.000 176.697 174.700 -0.005 0.000 1.048 38 T CA 0.833 62.927 62.100 -0.011 0.000 1.139 38 T CB -0.134 68.730 68.868 -0.007 0.000 0.874 38 T HN 0.139 nan 8.240 nan 0.000 0.455 39 L N 1.093 122.304 121.223 -0.020 0.000 1.955 39 L HA -0.130 4.211 4.340 0.002 0.000 0.213 39 L C 3.129 180.024 176.870 0.041 0.000 1.072 39 L CA 1.447 56.288 54.840 0.001 0.000 0.755 39 L CB -0.923 41.127 42.059 -0.015 0.000 0.888 39 L HN 0.232 nan 8.230 nan 0.000 0.432 40 A N 0.165 123.019 122.820 0.057 0.000 1.881 40 A HA -0.357 3.964 4.320 0.002 0.000 0.219 40 A C 2.467 180.167 177.584 0.193 0.000 1.215 40 A CA 2.744 54.857 52.037 0.127 0.000 0.648 40 A CB -1.112 17.977 19.000 0.148 0.000 0.832 40 A HN 0.492 nan 8.150 nan 0.000 0.455 41 A N -0.909 122.009 122.820 0.163 0.000 1.930 41 A HA 0.242 4.563 4.320 0.002 0.000 0.217 41 A C 2.484 180.260 177.584 0.320 0.000 1.175 41 A CA 2.035 54.203 52.037 0.219 0.000 0.627 41 A CB -0.926 18.079 19.000 0.009 0.000 0.815 41 A HN 1.211 nan 8.150 nan 0.000 0.443 42 A N -0.290 122.592 122.820 0.104 0.000 1.968 42 A HA -0.093 4.228 4.320 0.002 0.000 0.217 42 A C 1.824 179.429 177.584 0.035 0.000 1.169 42 A CA 1.422 53.412 52.037 -0.077 0.000 0.638 42 A CB -0.371 18.555 19.000 -0.124 0.000 0.812 42 A HN 0.611 nan 8.150 nan 0.000 0.446 43 E N -0.292 119.967 120.200 0.099 0.000 2.435 43 E HA -0.028 4.323 4.350 0.002 0.000 0.195 43 E C 0.012 176.692 176.600 0.133 0.000 1.029 43 E CA -0.201 56.254 56.400 0.091 0.000 0.865 43 E CB 0.067 29.812 29.700 0.074 0.000 0.833 43 E HN 0.402 nan 8.360 nan 0.000 0.510 44 N N 0.594 119.428 118.700 0.224 0.000 2.437 44 N HA 0.022 4.763 4.740 0.002 0.000 0.259 44 N C 0.240 175.874 175.510 0.207 0.000 0.983 44 N CA -0.033 53.146 53.050 0.214 0.000 0.937 44 N CB 1.413 40.079 38.487 0.298 0.000 1.122 44 N HN -0.092 nan 8.380 nan 0.000 0.499 45 S N 1.766 117.508 115.700 0.071 0.000 2.575 45 S HA 0.075 4.547 4.470 0.002 0.000 0.215 45 S C 1.541 176.093 174.600 -0.080 0.000 0.966 45 S CA 0.098 58.327 58.200 0.049 0.000 0.911 45 S CB 0.169 63.393 63.200 0.040 0.000 0.780 45 S HN 0.504 nan 8.310 nan 0.000 0.514 46 A N 0.520 123.204 122.820 -0.225 0.000 2.216 46 A HA 0.343 4.664 4.320 0.002 0.000 0.214 46 A C 0.214 177.532 177.584 -0.443 0.000 1.160 46 A CA 0.375 52.184 52.037 -0.380 0.000 0.725 46 A CB -0.520 18.165 19.000 -0.524 0.000 0.784 46 A HN 0.500 nan 8.150 nan 0.000 0.472 47 F N -1.254 118.585 119.950 -0.184 0.000 2.470 47 F HA 0.618 5.146 4.527 0.002 0.000 0.329 47 F C 0.043 175.541 175.800 -0.503 0.000 1.072 47 F CA -1.444 56.355 58.000 -0.334 0.000 0.989 47 F CB 1.225 39.997 39.000 -0.381 0.000 1.193 47 F HN -0.163 nan 8.300 nan 0.000 0.481 48 I N 1.957 122.404 120.570 -0.206 0.000 2.336 48 I HA 0.280 4.451 4.170 0.002 0.000 0.292 48 I C -0.683 175.245 176.117 -0.316 0.000 0.991 48 I CA -0.461 60.687 61.300 -0.254 0.000 1.227 48 I CB 0.856 38.803 38.000 -0.089 0.000 1.366 48 I HN 0.504 nan 8.210 nan 0.000 0.466 49 H N 4.676 123.676 119.070 -0.117 0.000 2.467 49 H HA 0.564 5.121 4.556 0.002 0.000 0.331 49 H C -0.672 174.429 175.328 -0.378 0.000 1.120 49 H CA -0.539 55.432 56.048 -0.129 0.000 1.270 49 H CB 0.813 30.552 29.762 -0.039 0.000 1.466 49 H HN 0.461 nan 8.280 nan 0.000 0.504 50 H N 0.610 119.776 119.070 0.159 0.000 2.821 50 H HA 0.453 5.010 4.556 0.002 0.000 0.373 50 H C -0.548 174.830 175.328 0.083 0.000 1.165 50 H CA -0.821 55.283 56.048 0.092 0.000 1.154 50 H CB 2.370 32.155 29.762 0.037 0.000 1.765 50 H HN 0.772 nan 8.280 nan 0.000 0.549 51 T N -0.528 114.143 114.554 0.195 0.000 3.011 51 T HA 0.415 4.766 4.350 0.002 0.000 0.303 51 T C -1.063 173.747 174.700 0.183 0.000 0.997 51 T CA -0.738 61.458 62.100 0.160 0.000 1.007 51 T CB 2.051 71.000 68.868 0.135 0.000 1.017 51 T HN 0.658 nan 8.240 nan 0.000 0.443 52 H N 2.100 121.171 119.070 0.001 0.000 2.980 52 H HA 0.612 5.170 4.556 0.002 0.000 0.367 52 H C -0.255 175.036 175.328 -0.060 0.000 1.206 52 H CA -1.717 54.243 56.048 -0.147 0.000 1.126 52 H CB 1.449 31.066 29.762 -0.242 0.000 1.838 52 H HN 0.620 nan 8.280 nan 0.000 0.552 53 F N -0.976 118.778 119.950 -0.326 0.000 2.720 53 F HA 0.322 4.850 4.527 0.002 0.000 0.301 53 F C 0.165 175.804 175.800 -0.269 0.000 1.103 53 F CA -0.539 57.329 58.000 -0.220 0.000 1.291 53 F CB 0.441 39.354 39.000 -0.144 0.000 1.086 53 F HN 0.275 nan 8.300 nan 0.000 0.592 54 D N 1.733 121.728 120.400 -0.676 0.000 2.443 54 D HA 0.124 4.765 4.640 0.002 0.000 0.221 54 D C 0.781 177.022 176.300 -0.097 0.000 1.097 54 D CA 0.066 53.917 54.000 -0.248 0.000 0.865 54 D CB 1.180 41.828 40.800 -0.255 0.000 1.034 54 D HN 0.170 nan 8.370 nan 0.000 0.511 55 E N 2.326 122.532 120.200 0.009 0.000 2.097 55 E HA -0.222 4.130 4.350 0.002 0.000 0.196 55 E C 1.822 178.461 176.600 0.065 0.000 1.000 55 E CA 1.216 57.644 56.400 0.047 0.000 0.804 55 E CB 0.146 29.885 29.700 0.066 0.000 0.740 55 E HN 0.438 nan 8.360 nan 0.000 0.454 56 R N -0.209 120.349 120.500 0.097 0.000 2.082 56 R HA -0.153 4.188 4.340 0.002 0.000 0.234 56 R C 2.412 178.843 176.300 0.218 0.000 1.136 56 R CA 1.832 58.021 56.100 0.147 0.000 0.935 56 R CB -0.762 29.655 30.300 0.195 0.000 0.842 56 R HN 0.315 nan 8.270 nan 0.000 0.430 57 G N 1.231 110.154 108.800 0.205 0.000 2.476 57 G HA2 -0.316 3.645 3.960 0.002 0.000 0.218 57 G HA3 -0.316 3.645 3.960 0.002 0.000 0.218 57 G C 1.340 176.333 174.900 0.155 0.000 1.164 57 G CA 0.967 46.191 45.100 0.207 0.000 0.768 57 G HN 0.325 nan 8.290 nan 0.000 0.560 58 L N 1.431 122.749 121.223 0.157 0.000 2.013 58 L HA 0.039 4.380 4.340 0.002 0.000 0.212 58 L C 2.889 179.755 176.870 -0.008 0.000 1.073 58 L CA 2.521 57.405 54.840 0.074 0.000 0.753 58 L CB -0.906 41.194 42.059 0.068 0.000 0.890 58 L HN 0.192 nan 8.230 nan 0.000 0.432 59 G N -2.368 106.409 108.800 -0.038 0.000 2.422 59 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 59 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 59 G C 1.317 176.101 174.900 -0.193 0.000 1.146 59 G CA 1.062 46.078 45.100 -0.140 0.000 0.769 59 G HN 0.589 nan 8.290 nan 0.000 0.547 60 H N -0.817 118.208 119.070 -0.076 0.000 2.389 60 H HA 0.043 4.601 4.556 0.002 0.000 0.299 60 H C 2.308 177.543 175.328 -0.154 0.000 1.081 60 H CA 0.877 56.862 56.048 -0.105 0.000 1.345 60 H CB 0.018 29.719 29.762 -0.102 0.000 1.393 60 H HN 0.274 nan 8.280 nan 0.000 0.520 61 L N 0.853 122.043 121.223 -0.054 0.000 2.012 61 L HA -0.174 4.167 4.340 0.002 0.000 0.210 61 L C 2.309 179.059 176.870 -0.200 0.000 1.073 61 L CA 2.046 56.783 54.840 -0.172 0.000 0.748 61 L CB -1.022 40.920 42.059 -0.195 0.000 0.891 61 L HN 0.248 nan 8.230 nan 0.000 0.431 62 A N -0.924 121.803 122.820 -0.155 0.000 1.969 62 A HA -0.162 4.159 4.320 0.002 0.000 0.218 62 A C 2.272 179.773 177.584 -0.139 0.000 1.169 62 A CA 1.623 53.569 52.037 -0.150 0.000 0.635 62 A CB -0.952 17.990 19.000 -0.096 0.000 0.810 62 A HN 0.532 nan 8.150 nan 0.000 0.445 63 L N 0.098 121.249 121.223 -0.121 0.000 2.012 63 L HA -0.095 4.246 4.340 0.002 0.000 0.210 63 L C 2.424 179.227 176.870 -0.111 0.000 1.073 63 L CA 2.409 57.193 54.840 -0.094 0.000 0.748 63 L CB -0.869 41.151 42.059 -0.064 0.000 0.891 63 L HN 0.308 nan 8.230 nan 0.000 0.431 64 G N -0.418 108.288 108.800 -0.157 0.000 2.446 64 G HA2 -0.256 3.705 3.960 0.002 0.000 0.217 64 G HA3 -0.256 3.705 3.960 0.002 0.000 0.217 64 G C 1.583 176.321 174.900 -0.269 0.000 1.168 64 G CA 1.172 46.135 45.100 -0.228 0.000 0.771 64 G HN 0.438 nan 8.290 nan 0.000 0.551 65 L N 0.591 121.638 121.223 -0.293 0.000 2.042 65 L HA -0.104 4.237 4.340 0.002 0.000 0.210 65 L C 3.392 180.136 176.870 -0.210 0.000 1.076 65 L CA 1.238 55.876 54.840 -0.336 0.000 0.749 65 L CB -0.386 41.401 42.059 -0.453 0.000 0.893 65 L HN 0.328 nan 8.230 nan 0.000 0.432 66 A N -0.411 122.326 122.820 -0.139 0.000 1.929 66 A HA -0.191 4.130 4.320 0.002 0.000 0.216 66 A C 2.359 179.907 177.584 -0.060 0.000 1.176 66 A CA 1.419 53.414 52.037 -0.069 0.000 0.628 66 A CB -0.351 18.619 19.000 -0.050 0.000 0.816 66 A HN 0.276 nan 8.150 nan 0.000 0.444 67 K N -0.254 120.101 120.400 -0.074 0.000 2.034 67 K HA -0.169 4.152 4.320 0.002 0.000 0.214 67 K C 1.807 178.366 176.600 -0.068 0.000 1.051 67 K CA 2.147 58.414 56.287 -0.034 0.000 0.931 67 K CB -0.267 32.223 32.500 -0.017 0.000 0.715 67 K HN 0.262 nan 8.250 nan 0.000 0.446 68 V N 0.456 120.234 119.914 -0.226 0.000 2.331 68 V HA -0.171 3.951 4.120 0.002 0.000 0.242 68 V C 2.312 178.357 176.094 -0.082 0.000 1.034 68 V CA 1.913 64.059 62.300 -0.258 0.000 1.027 68 V CB -0.149 31.423 31.823 -0.419 0.000 0.667 68 V HN 0.545 nan 8.190 nan 0.000 0.457 69 S N -1.296 114.362 115.700 -0.070 0.000 2.453 69 S HA -0.167 4.304 4.470 0.002 0.000 0.231 69 S C 1.337 175.951 174.600 0.023 0.000 1.005 69 S CA 0.895 59.098 58.200 0.004 0.000 0.949 69 S CB -0.160 63.079 63.200 0.064 0.000 0.774 69 S HN 0.491 nan 8.310 nan 0.000 0.510 70 K N -0.303 120.104 120.400 0.011 0.000 3.553 70 K HA -0.155 4.167 4.320 0.002 0.000 0.303 70 K C -0.352 176.259 176.600 0.018 0.000 1.327 70 K CA 1.162 57.458 56.287 0.016 0.000 0.983 70 K CB -1.855 30.658 32.500 0.023 0.000 1.275 70 K HN 0.734 nan 8.250 nan 0.000 0.453 71 Q N 1.081 120.902 119.800 0.035 0.000 2.249 71 Q HA 0.344 4.686 4.340 0.002 0.000 0.226 71 Q C -2.257 173.767 176.000 0.040 0.000 0.983 71 Q CA -1.793 54.038 55.803 0.048 0.000 0.930 71 Q CB 0.679 29.467 28.738 0.082 0.000 1.193 71 Q HN 0.004 nan 8.270 nan 0.000 0.508 72 P HA 0.114 nan 4.420 nan 0.000 0.280 72 P C -1.057 176.281 177.300 0.064 0.000 1.244 72 P CA -0.087 63.036 63.100 0.038 0.000 0.784 72 P CB 0.919 32.640 31.700 0.035 0.000 0.913 73 V N 2.480 122.418 119.914 0.041 0.000 2.555 73 V HA 0.639 4.760 4.120 0.002 0.000 0.302 73 V C 0.433 176.541 176.094 0.024 0.000 1.038 73 V CA -0.927 61.405 62.300 0.054 0.000 0.887 73 V CB 1.633 33.472 31.823 0.027 0.000 0.991 73 V HN 0.719 nan 8.190 nan 0.000 0.434 74 A N 3.864 126.698 122.820 0.023 0.000 2.303 74 A HA 0.886 5.207 4.320 0.002 0.000 0.317 74 A C -0.739 176.830 177.584 -0.025 0.000 1.149 74 A CA -0.520 51.507 52.037 -0.016 0.000 0.822 74 A CB 1.365 20.318 19.000 -0.078 0.000 1.131 74 A HN 0.737 nan 8.150 nan 0.000 0.493 75 V N 2.788 122.694 119.914 -0.013 0.000 2.686 75 V HA 0.392 4.514 4.120 0.002 0.000 0.306 75 V C -0.687 175.421 176.094 0.025 0.000 1.065 75 V CA -0.168 62.134 62.300 0.002 0.000 0.894 75 V CB 1.721 33.544 31.823 -0.000 0.000 1.004 75 V HN 0.757 nan 8.190 nan 0.000 0.424 76 I N 5.560 126.147 120.570 0.029 0.000 2.362 76 I HA 0.681 4.852 4.170 0.002 0.000 0.289 76 I C -0.437 175.719 176.117 0.065 0.000 0.994 76 I CA -0.773 60.558 61.300 0.051 0.000 1.158 76 I CB 1.795 39.816 38.000 0.035 0.000 1.315 76 I HN 0.526 nan 8.210 nan 0.000 0.451 77 V N 1.724 121.690 119.914 0.087 0.000 3.007 77 V HA 0.621 4.742 4.120 0.002 0.000 0.311 77 V C -0.243 175.910 176.094 0.099 0.000 1.120 77 V CA -0.514 61.839 62.300 0.088 0.000 0.980 77 V CB 1.734 33.612 31.823 0.092 0.000 1.033 77 V HN 0.694 nan 8.190 nan 0.000 0.429 78 T N 1.776 116.381 114.554 0.086 0.000 2.788 78 T HA 0.493 4.844 4.350 0.002 0.000 0.280 78 T C 0.600 175.351 174.700 0.086 0.000 0.984 78 T CA 0.439 62.590 62.100 0.085 0.000 0.972 78 T CB 0.986 69.895 68.868 0.069 0.000 1.039 78 T HN 1.827 nan 8.240 nan 0.000 0.530 79 S N 0.433 116.181 115.700 0.081 0.000 2.614 79 S HA 0.656 5.127 4.470 0.002 0.000 0.265 79 S C 0.928 175.558 174.600 0.051 0.000 1.303 79 S CA 0.067 58.308 58.200 0.068 0.000 1.000 79 S CB 0.292 63.531 63.200 0.064 0.000 0.935 79 S HN 1.763 nan 8.310 nan 0.000 0.551 80 G N 1.059 109.880 108.800 0.035 0.000 2.594 80 G HA2 -0.224 3.737 3.960 0.002 0.000 0.217 80 G HA3 -0.224 3.737 3.960 0.002 0.000 0.217 80 G C 0.755 175.669 174.900 0.025 0.000 1.163 80 G CA 0.819 45.934 45.100 0.026 0.000 1.074 80 G HN 1.772 nan 8.290 nan 0.000 0.589 81 T N -0.580 113.995 114.554 0.035 0.000 2.904 81 T HA 0.342 4.693 4.350 0.002 0.000 0.267 81 T C 2.619 177.357 174.700 0.062 0.000 1.059 81 T CA 2.464 64.591 62.100 0.045 0.000 1.137 81 T CB -0.496 68.400 68.868 0.048 0.000 0.879 81 T HN 2.007 nan 8.240 nan 0.000 0.467 82 A N 0.911 123.770 122.820 0.064 0.000 2.084 82 A HA 0.017 4.339 4.320 0.002 0.000 0.221 82 A C 2.485 180.123 177.584 0.091 0.000 1.161 82 A CA 1.580 53.663 52.037 0.076 0.000 0.653 82 A CB -1.000 18.044 19.000 0.073 0.000 0.802 82 A HN 0.462 nan 8.150 nan 0.000 0.457 83 V N -1.056 118.908 119.914 0.083 0.000 2.535 83 V HA -0.054 4.068 4.120 0.002 0.000 0.246 83 V C 2.856 179.052 176.094 0.170 0.000 1.045 83 V CA 1.453 63.819 62.300 0.110 0.000 1.058 83 V CB -0.649 31.197 31.823 0.038 0.000 0.689 83 V HN 0.573 nan 8.190 nan 0.000 0.461 84 A N -0.233 122.648 122.820 0.102 0.000 2.119 84 A HA -0.122 4.199 4.320 0.002 0.000 0.217 84 A C 1.871 179.604 177.584 0.249 0.000 1.153 84 A CA 1.123 53.266 52.037 0.176 0.000 0.692 84 A CB -0.588 18.481 19.000 0.115 0.000 0.799 84 A HN 0.581 nan 8.150 nan 0.000 0.458 85 N N -0.182 118.621 118.700 0.172 0.000 2.571 85 N HA 0.044 4.786 4.740 0.002 0.000 0.189 85 N C 1.054 176.630 175.510 0.109 0.000 1.154 85 N CA 0.463 53.599 53.050 0.144 0.000 0.907 85 N CB 0.037 38.592 38.487 0.114 0.000 0.977 85 N HN 0.481 nan 8.380 nan 0.000 0.449 86 L N -0.638 120.652 121.223 0.111 0.000 2.529 86 L HA 0.002 4.344 4.340 0.002 0.000 0.223 86 L C 1.867 178.664 176.870 -0.121 0.000 1.113 86 L CA 0.090 54.908 54.840 -0.036 0.000 0.861 86 L CB -0.212 41.818 42.059 -0.049 0.000 1.012 86 L HN 0.084 nan 8.230 nan 0.000 0.461 87 Y N 1.890 122.141 120.300 -0.083 0.000 2.207 87 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 87 Y C -0.315 175.473 175.900 -0.188 0.000 1.156 87 Y CA 0.795 58.812 58.100 -0.138 0.000 1.182 87 Y CB -1.501 37.037 38.460 0.130 0.000 0.979 87 Y HN 0.140 nan 8.280 nan 0.000 0.521 88 P HA -0.157 nan 4.420 nan 0.000 0.213 88 P C 1.578 178.769 177.300 -0.181 0.000 1.170 88 P CA 2.634 65.703 63.100 -0.052 0.000 0.893 88 P CB -0.263 31.481 31.700 0.074 0.000 0.784 89 A N -0.853 121.683 122.820 -0.474 0.000 1.972 89 A HA -0.158 4.163 4.320 0.002 0.000 0.219 89 A C 2.136 179.558 177.584 -0.269 0.000 1.169 89 A CA 1.345 53.051 52.037 -0.552 0.000 0.635 89 A CB -1.653 16.890 19.000 -0.762 0.000 0.810 89 A HN 0.168 nan 8.150 nan 0.000 0.446 90 L N -0.411 120.664 121.223 -0.246 0.000 2.093 90 L HA -0.047 4.294 4.340 0.002 0.000 0.208 90 L C 2.143 178.940 176.870 -0.122 0.000 1.085 90 L CA 1.549 56.254 54.840 -0.225 0.000 0.755 90 L CB -0.338 41.463 42.059 -0.430 0.000 0.904 90 L HN 0.396 nan 8.230 nan 0.000 0.435 91 I N -0.353 120.154 120.570 -0.105 0.000 2.142 91 I HA -0.284 3.887 4.170 0.002 0.000 0.240 91 I C 2.539 178.621 176.117 -0.058 0.000 1.078 91 I CA 1.573 62.803 61.300 -0.116 0.000 1.343 91 I CB -0.205 37.641 38.000 -0.256 0.000 1.046 91 I HN 0.355 nan 8.210 nan 0.000 0.405 92 E N 1.242 121.405 120.200 -0.062 0.000 2.058 92 E HA -0.239 4.112 4.350 0.002 0.000 0.194 92 E C 2.073 178.662 176.600 -0.018 0.000 0.997 92 E CA 1.844 58.231 56.400 -0.022 0.000 0.801 92 E CB -0.261 29.444 29.700 0.009 0.000 0.746 92 E HN 0.431 nan 8.360 nan 0.000 0.450 93 A N 0.271 123.066 122.820 -0.042 0.000 1.908 93 A HA -0.091 4.230 4.320 0.002 0.000 0.218 93 A C 2.516 180.085 177.584 -0.024 0.000 1.181 93 A CA 1.866 53.880 52.037 -0.039 0.000 0.627 93 A CB -1.494 17.467 19.000 -0.066 0.000 0.818 93 A HN 0.435 nan 8.150 nan 0.000 0.445 94 G N -0.684 108.111 108.800 -0.009 0.000 2.485 94 G HA2 -0.161 3.800 3.960 0.002 0.000 0.221 94 G HA3 -0.161 3.800 3.960 0.002 0.000 0.221 94 G C 1.487 176.402 174.900 0.024 0.000 1.115 94 G CA 1.179 46.291 45.100 0.021 0.000 0.751 94 G HN 0.457 nan 8.290 nan 0.000 0.567 95 L N 0.023 121.257 121.223 0.019 0.000 2.286 95 L HA 0.098 4.439 4.340 0.002 0.000 0.203 95 L C 2.873 179.749 176.870 0.010 0.000 1.068 95 L CA 1.494 56.346 54.840 0.021 0.000 0.811 95 L CB 0.078 42.149 42.059 0.020 0.000 0.989 95 L HN 0.349 nan 8.230 nan 0.000 0.467 96 T N -4.495 110.062 114.554 0.004 0.000 3.069 96 T HA 0.306 4.657 4.350 0.002 0.000 0.252 96 T C 1.264 175.958 174.700 -0.010 0.000 1.053 96 T CA 0.441 62.543 62.100 0.003 0.000 0.964 96 T CB 0.900 69.778 68.868 0.017 0.000 1.005 96 T HN 0.386 nan 8.240 nan 0.000 0.532 97 G N 1.115 109.901 108.800 -0.023 0.000 2.176 97 G HA2 -0.197 3.765 3.960 0.002 0.000 0.232 97 G HA3 -0.197 3.765 3.960 0.002 0.000 0.232 97 G C -0.320 174.546 174.900 -0.055 0.000 0.986 97 G CA -0.307 44.763 45.100 -0.051 0.000 0.643 97 G HN 0.591 nan 8.290 nan 0.000 0.522 98 E N 1.098 121.275 120.200 -0.039 0.000 2.324 98 E HA 0.436 4.787 4.350 0.002 0.000 0.271 98 E C 0.392 176.963 176.600 -0.049 0.000 1.028 98 E CA 0.162 56.538 56.400 -0.040 0.000 0.890 98 E CB 0.542 30.221 29.700 -0.035 0.000 1.004 98 E HN 0.348 nan 8.360 nan 0.000 0.431 99 K N 3.593 123.966 120.400 -0.044 0.000 2.292 99 K HA 0.232 4.553 4.320 0.002 0.000 0.290 99 K C -0.533 176.047 176.600 -0.033 0.000 1.083 99 K CA -0.024 56.239 56.287 -0.040 0.000 0.918 99 K CB 0.327 32.809 32.500 -0.030 0.000 1.089 99 K HN 0.326 nan 8.250 nan 0.000 0.473 100 L N 4.749 125.945 121.223 -0.045 0.000 2.313 100 L HA 0.443 4.784 4.340 0.002 0.000 0.283 100 L C -0.362 176.489 176.870 -0.032 0.000 1.013 100 L CA -1.011 53.801 54.840 -0.047 0.000 0.816 100 L CB 1.332 43.343 42.059 -0.080 0.000 1.236 100 L HN 0.427 nan 8.230 nan 0.000 0.419 101 I N 5.430 125.992 120.570 -0.013 0.000 2.388 101 I HA 0.290 4.461 4.170 0.002 0.000 0.281 101 I C -0.092 176.039 176.117 0.023 0.000 1.046 101 I CA -0.303 61.001 61.300 0.007 0.000 1.187 101 I CB 1.061 39.066 38.000 0.009 0.000 1.351 101 I HN 0.442 nan 8.210 nan 0.000 0.472 102 L N 6.539 127.793 121.223 0.052 0.000 2.261 102 L HA 0.417 4.758 4.340 0.002 0.000 0.289 102 L C -0.012 176.950 176.870 0.153 0.000 1.059 102 L CA -0.312 54.585 54.840 0.095 0.000 0.816 102 L CB 0.756 42.873 42.059 0.096 0.000 1.191 102 L HN 0.343 nan 8.230 nan 0.000 0.431 103 L N 4.488 125.781 121.223 0.118 0.000 2.270 103 L HA 0.318 4.659 4.340 0.002 0.000 0.286 103 L C 0.262 177.229 176.870 0.162 0.000 1.059 103 L CA -0.252 54.664 54.840 0.126 0.000 0.839 103 L CB 1.128 43.244 42.059 0.096 0.000 1.221 103 L HN 0.629 nan 8.230 nan 0.000 0.431 104 T N 0.339 115.009 114.554 0.193 0.000 2.809 104 T HA 0.664 5.015 4.350 0.002 0.000 0.296 104 T C 0.133 174.945 174.700 0.187 0.000 1.015 104 T CA -0.720 61.508 62.100 0.212 0.000 0.954 104 T CB 1.618 70.677 68.868 0.317 0.000 0.950 104 T HN 0.516 nan 8.240 nan 0.000 0.450 105 A N 3.129 126.069 122.820 0.198 0.000 2.445 105 A HA 0.557 4.878 4.320 0.002 0.000 0.242 105 A C 0.180 177.862 177.584 0.164 0.000 1.075 105 A CA -0.259 51.925 52.037 0.245 0.000 0.777 105 A CB 0.156 19.305 19.000 0.249 0.000 1.013 105 A HN 0.907 nan 8.150 nan 0.000 0.493 106 D N -0.165 120.323 120.400 0.146 0.000 2.661 106 D HA 0.377 5.019 4.640 0.002 0.000 0.228 106 D C -0.417 175.919 176.300 0.060 0.000 1.183 106 D CA -0.597 53.447 54.000 0.073 0.000 0.844 106 D CB 1.157 41.973 40.800 0.027 0.000 1.555 106 D HN 0.420 nan 8.370 nan 0.000 0.453 107 R N 1.780 122.303 120.500 0.039 0.000 2.738 107 R HA 0.319 4.660 4.340 0.002 0.000 0.268 107 R C -1.950 174.343 176.300 -0.011 0.000 1.062 107 R CA -1.159 54.955 56.100 0.022 0.000 1.158 107 R CB -0.521 29.789 30.300 0.017 0.000 1.046 107 R HN 0.383 nan 8.270 nan 0.000 0.493 108 P HA 0.108 nan 4.420 nan 0.000 0.274 108 P C -1.888 175.386 177.300 -0.044 0.000 1.246 108 P CA -1.355 61.710 63.100 -0.058 0.000 0.795 108 P CB 0.059 31.721 31.700 -0.063 0.000 1.006 109 P HA -0.250 nan 4.420 nan 0.000 0.219 109 P C 1.160 178.441 177.300 -0.031 0.000 1.158 109 P CA 1.944 65.019 63.100 -0.041 0.000 0.895 109 P CB -0.291 31.380 31.700 -0.049 0.000 0.792 110 E N -0.648 119.532 120.200 -0.034 0.000 2.209 110 E HA -0.105 4.246 4.350 0.002 0.000 0.196 110 E C 1.860 178.449 176.600 -0.019 0.000 0.993 110 E CA 0.763 57.147 56.400 -0.027 0.000 0.819 110 E CB -0.863 28.820 29.700 -0.028 0.000 0.745 110 E HN 0.296 nan 8.360 nan 0.000 0.477 111 L N 0.763 121.976 121.223 -0.017 0.000 2.667 111 L HA 0.166 4.508 4.340 0.002 0.000 0.232 111 L C -0.168 176.698 176.870 -0.006 0.000 1.138 111 L CA -0.370 54.465 54.840 -0.009 0.000 0.921 111 L CB 0.326 42.383 42.059 -0.004 0.000 1.180 111 L HN 0.096 nan 8.230 nan 0.000 0.487 112 I N 0.047 120.611 120.570 -0.010 0.000 2.396 112 I HA 0.170 4.341 4.170 0.002 0.000 0.292 112 I C 0.277 176.390 176.117 -0.007 0.000 0.999 112 I CA 0.022 61.317 61.300 -0.008 0.000 1.310 112 I CB 1.041 39.034 38.000 -0.011 0.000 1.404 112 I HN 0.097 nan 8.210 nan 0.000 0.496 113 D N 3.909 124.306 120.400 -0.005 0.000 2.835 113 D HA -0.168 4.473 4.640 0.002 0.000 0.230 113 D C 0.122 176.419 176.300 -0.004 0.000 1.130 113 D CA 0.880 54.877 54.000 -0.004 0.000 0.738 113 D CB -1.084 39.713 40.800 -0.005 0.000 1.090 113 D HN 0.866 nan 8.370 nan 0.000 0.433 114 C N -3.146 116.152 119.300 -0.003 0.000 3.364 114 C HA 0.648 5.109 4.460 0.002 0.000 0.298 114 C C 1.562 176.551 174.990 -0.001 0.000 2.497 114 C CA 0.138 59.154 59.018 -0.003 0.000 1.389 114 C CB -0.129 27.609 27.740 -0.004 0.000 2.592 114 C HN 0.749 nan 8.230 nan 0.000 0.509 115 G N 1.583 110.383 108.800 0.001 0.000 2.380 115 G HA2 0.102 4.063 3.960 0.002 0.000 0.298 115 G HA3 0.102 4.063 3.960 0.002 0.000 0.298 115 G C 0.545 175.447 174.900 0.004 0.000 0.989 115 G CA 0.741 45.842 45.100 0.002 0.000 0.836 115 G HN 2.096 nan 8.290 nan 0.000 0.511 116 A N -0.142 122.681 122.820 0.004 0.000 2.488 116 A HA 0.458 4.779 4.320 0.002 0.000 0.249 116 A C 0.862 178.452 177.584 0.009 0.000 1.083 116 A CA 0.063 52.104 52.037 0.006 0.000 0.768 116 A CB 0.280 19.283 19.000 0.006 0.000 1.017 116 A HN 0.642 nan 8.150 nan 0.000 0.496 117 N N 1.942 120.649 118.700 0.012 0.000 2.412 117 N HA -0.055 4.686 4.740 0.002 0.000 0.258 117 N C 0.406 175.927 175.510 0.018 0.000 1.236 117 N CA 0.911 53.969 53.050 0.014 0.000 0.882 117 N CB 0.255 38.751 38.487 0.015 0.000 1.066 117 N HN 0.834 nan 8.380 nan 0.000 0.465 118 Q N 0.211 120.022 119.800 0.018 0.000 2.481 118 Q HA -0.241 4.101 4.340 0.002 0.000 0.258 118 Q C -1.409 174.604 176.000 0.021 0.000 0.961 118 Q CA 0.885 56.702 55.803 0.023 0.000 1.121 118 Q CB -1.267 27.488 28.738 0.029 0.000 1.503 118 Q HN 0.662 nan 8.270 nan 0.000 0.544 119 A N 1.081 123.910 122.820 0.015 0.000 2.328 119 A HA 0.672 4.993 4.320 0.002 0.000 0.318 119 A C -0.148 177.440 177.584 0.006 0.000 1.347 119 A CA -0.550 51.494 52.037 0.012 0.000 0.842 119 A CB 0.311 19.317 19.000 0.010 0.000 1.148 119 A HN 0.424 nan 8.150 nan 0.000 0.499 120 I N -1.378 119.193 120.570 0.003 0.000 2.957 120 I HA 0.607 4.778 4.170 0.002 0.000 0.310 120 I C 0.013 176.123 176.117 -0.012 0.000 1.063 120 I CA -1.367 59.929 61.300 -0.006 0.000 1.033 120 I CB 1.742 39.735 38.000 -0.012 0.000 1.230 120 I HN 0.432 nan 8.210 nan 0.000 0.447 121 R N 2.823 123.312 120.500 -0.018 0.000 2.387 121 R HA 0.114 4.455 4.340 0.002 0.000 0.321 121 R C 0.123 176.398 176.300 -0.042 0.000 1.174 121 R CA 0.010 56.097 56.100 -0.022 0.000 1.002 121 R CB 0.206 30.495 30.300 -0.019 0.000 1.028 121 R HN 0.707 nan 8.270 nan 0.000 0.482 122 Q N 1.618 121.400 119.800 -0.031 0.000 2.339 122 Q HA 0.082 4.423 4.340 0.002 0.000 0.205 122 Q C -1.628 174.382 176.000 0.016 0.000 0.925 122 Q CA -0.190 55.587 55.803 -0.043 0.000 0.898 122 Q CB -0.251 28.493 28.738 0.009 0.000 1.013 122 Q HN 0.428 nan 8.270 nan 0.000 0.504 123 P HA 0.039 nan 4.420 nan 0.000 0.271 123 P C 0.425 177.758 177.300 0.054 0.000 1.216 123 P CA 0.870 64.013 63.100 0.072 0.000 0.776 123 P CB 0.557 32.274 31.700 0.029 0.000 0.881 124 G N 3.071 111.935 108.800 0.107 0.000 2.212 124 G HA2 -0.359 3.602 3.960 0.002 0.000 0.267 124 G HA3 -0.359 3.602 3.960 0.002 0.000 0.267 124 G C 0.787 175.664 174.900 -0.040 0.000 1.002 124 G CA 0.866 46.008 45.100 0.069 0.000 0.729 124 G HN 0.682 nan 8.290 nan 0.000 0.517 125 M N -2.393 117.086 119.600 -0.201 0.000 2.460 125 M HA 0.317 4.798 4.480 0.002 0.000 0.263 125 M C 1.544 177.479 176.300 -0.609 0.000 1.071 125 M CA 1.400 56.447 55.300 -0.420 0.000 1.096 125 M CB -0.193 32.078 32.600 -0.549 0.000 1.408 125 M HN 0.049 nan 8.290 nan 0.000 0.463 126 F N 1.534 121.294 119.950 -0.317 0.000 2.692 126 F HA 0.592 5.120 4.527 0.002 0.000 0.303 126 F C 1.803 177.607 175.800 0.006 0.000 1.114 126 F CA -0.181 57.548 58.000 -0.452 0.000 1.361 126 F CB -1.172 37.502 39.000 -0.543 0.000 1.063 126 F HN 0.417 nan 8.300 nan 0.000 0.550 127 A N 0.863 123.780 122.820 0.162 0.000 5.318 127 A HA -0.416 3.906 4.320 0.002 0.000 0.329 127 A C 1.871 179.528 177.584 0.122 0.000 1.789 127 A CA 2.654 54.779 52.037 0.146 0.000 0.711 127 A CB -2.017 17.088 19.000 0.175 0.000 1.398 127 A HN 0.660 nan 8.150 nan 0.000 0.392 128 S N -1.674 114.036 115.700 0.016 0.000 2.539 128 S HA 0.232 4.704 4.470 0.002 0.000 0.221 128 S C 1.181 175.726 174.600 -0.091 0.000 0.987 128 S CA 0.774 58.944 58.200 -0.051 0.000 0.929 128 S CB -0.245 62.896 63.200 -0.099 0.000 0.832 128 S HN 0.713 nan 8.310 nan 0.000 0.492 129 H N 2.122 121.287 119.070 0.158 0.000 2.462 129 H HA 0.223 4.780 4.556 0.003 0.000 0.292 129 H C -1.796 173.563 175.328 0.053 0.000 1.049 129 H CA 0.192 56.319 56.048 0.130 0.000 1.334 129 H CB -1.307 28.608 29.762 0.255 0.000 1.404 129 H HN 0.463 nan 8.280 nan 0.000 0.544 130 P HA 0.125 nan 4.420 nan 0.000 0.279 130 P C 0.804 178.122 177.300 0.030 0.000 1.252 130 P CA -0.028 63.111 63.100 0.065 0.000 0.811 130 P CB 1.158 32.926 31.700 0.114 0.000 1.035 131 T N -0.906 113.612 114.554 -0.059 0.000 2.857 131 T HA -0.034 4.317 4.350 0.002 0.000 0.266 131 T C 0.263 174.838 174.700 -0.210 0.000 1.048 131 T CA 1.560 63.539 62.100 -0.201 0.000 1.139 131 T CB -0.404 68.257 68.868 -0.343 0.000 0.874 131 T HN 0.453 nan 8.240 nan 0.000 0.455 132 H N -0.135 118.962 119.070 0.044 0.000 2.856 132 H HA 0.586 5.143 4.556 0.002 0.000 0.355 132 H C -1.010 174.360 175.328 0.070 0.000 1.079 132 H CA -0.960 55.115 56.048 0.045 0.000 1.240 132 H CB 1.620 31.386 29.762 0.006 0.000 1.701 132 H HN -0.025 nan 8.280 nan 0.000 0.527 133 S N 2.736 118.565 115.700 0.214 0.000 2.509 133 S HA 0.647 5.118 4.470 0.002 0.000 0.297 133 S C 0.218 174.865 174.600 0.079 0.000 1.118 133 S CA -0.669 57.622 58.200 0.151 0.000 1.074 133 S CB 0.980 64.282 63.200 0.170 0.000 1.038 133 S HN 0.380 nan 8.310 nan 0.000 0.498 134 I N 1.797 122.372 120.570 0.008 0.000 2.499 134 I HA 0.346 4.517 4.170 0.002 0.000 0.288 134 I C -0.324 175.768 176.117 -0.042 0.000 1.048 134 I CA -0.382 60.916 61.300 -0.003 0.000 1.062 134 I CB 2.102 40.088 38.000 -0.023 0.000 1.238 134 I HN 0.463 nan 8.210 nan 0.000 0.426 135 S N 7.156 122.867 115.700 0.018 0.000 2.448 135 S HA 0.572 5.043 4.470 0.002 0.000 0.320 135 S C -0.488 174.170 174.600 0.097 0.000 1.071 135 S CA -0.554 57.653 58.200 0.013 0.000 1.113 135 S CB 0.384 63.597 63.200 0.022 0.000 0.972 135 S HN 0.420 nan 8.310 nan 0.000 0.465 136 L N 7.034 128.316 121.223 0.099 0.000 2.326 136 L HA 0.462 4.803 4.340 0.002 0.000 0.278 136 L C -1.657 175.301 176.870 0.147 0.000 1.092 136 L CA -1.869 53.107 54.840 0.226 0.000 0.810 136 L CB 1.032 43.236 42.059 0.240 0.000 1.153 136 L HN 0.501 nan 8.230 nan 0.000 0.439 137 P HA 0.088 nan 4.420 nan 0.000 0.277 137 P C -0.797 176.442 177.300 -0.102 0.000 1.271 137 P CA -0.763 62.347 63.100 0.016 0.000 0.795 137 P CB 0.531 32.213 31.700 -0.031 0.000 1.101 138 R N 1.167 121.563 120.500 -0.173 0.000 2.458 138 R HA 0.131 4.472 4.340 0.002 0.000 0.303 138 R C -1.981 174.057 176.300 -0.436 0.000 1.013 138 R CA -1.129 54.806 56.100 -0.276 0.000 1.026 138 R CB -0.787 29.396 30.300 -0.195 0.000 0.948 138 R HN 0.333 nan 8.270 nan 0.000 0.417 139 P HA -0.035 nan 4.420 nan 0.000 0.264 139 P C -0.914 176.069 177.300 -0.529 0.000 1.183 139 P CA 0.448 62.739 63.100 -1.349 0.000 0.763 139 P CB 0.925 31.667 31.700 -1.596 0.000 0.807 140 T N 1.255 115.635 114.554 -0.291 0.000 3.012 140 T HA 0.127 4.478 4.350 0.002 0.000 0.330 140 T C 0.445 175.050 174.700 -0.158 0.000 1.321 140 T CA -0.462 61.502 62.100 -0.226 0.000 1.067 140 T CB 1.063 69.820 68.868 -0.186 0.000 1.235 140 T HN 0.299 nan 8.240 nan 0.000 0.479 141 Q N 0.978 120.380 119.800 -0.663 0.000 2.437 141 Q HA -0.047 4.294 4.340 0.002 0.000 0.210 141 Q C 0.510 176.508 176.000 -0.003 0.000 0.972 141 Q CA 1.037 56.515 55.803 -0.541 0.000 0.903 141 Q CB 0.213 28.538 28.738 -0.689 0.000 0.967 141 Q HN 0.605 nan 8.270 nan 0.000 0.486 142 D N -0.163 120.219 120.400 -0.029 0.000 2.363 142 D HA 0.033 4.675 4.640 0.002 0.000 0.226 142 D C -0.031 176.340 176.300 0.119 0.000 1.020 142 D CA 0.654 54.682 54.000 0.047 0.000 0.892 142 D CB 0.302 41.087 40.800 -0.025 0.000 0.900 142 D HN 0.251 nan 8.370 nan 0.000 0.531 143 I N 2.607 123.322 120.570 0.242 0.000 2.362 143 I HA 0.201 4.373 4.170 0.002 0.000 0.289 143 I C -2.303 174.210 176.117 0.660 0.000 0.994 143 I CA -2.249 59.236 61.300 0.308 0.000 1.158 143 I CB 2.358 40.497 38.000 0.231 0.000 1.315 143 I HN -0.316 nan 8.210 nan 0.000 0.451 144 P HA 0.149 nan 4.420 nan 0.000 0.278 144 P C 0.336 177.596 177.300 -0.066 0.000 1.238 144 P CA -0.366 62.856 63.100 0.202 0.000 0.794 144 P CB 1.496 33.206 31.700 0.018 0.000 0.955 145 A N 4.154 126.455 122.820 -0.865 0.000 2.032 145 A HA -0.226 4.095 4.320 0.002 0.000 0.221 145 A C 2.138 179.234 177.584 -0.814 0.000 1.165 145 A CA 1.513 52.955 52.037 -0.991 0.000 0.645 145 A CB -1.001 17.111 19.000 -1.479 0.000 0.807 145 A HN 0.680 nan 8.150 nan 0.000 0.453 146 R N -1.589 118.442 120.500 -0.782 0.000 2.120 146 R HA -0.200 4.141 4.340 0.002 0.000 0.234 146 R C 2.002 178.006 176.300 -0.493 0.000 1.123 146 R CA 1.688 57.215 56.100 -0.955 0.000 0.975 146 R CB -0.736 29.154 30.300 -0.683 0.000 0.866 146 R HN 0.648 nan 8.270 nan 0.000 0.446 147 W N 1.701 122.798 121.300 -0.339 0.000 2.379 147 W HA -0.174 4.486 4.660 0.001 0.000 0.307 147 W C 1.989 178.369 176.519 -0.231 0.000 1.200 147 W CA 1.177 58.409 57.345 -0.188 0.000 1.297 147 W CB -0.390 29.033 29.460 -0.062 0.000 1.140 147 W HN 0.123 nan 8.180 nan 0.000 0.507 148 L N 0.634 121.767 121.223 -0.150 0.000 2.012 148 L HA -0.171 4.170 4.340 0.002 0.000 0.210 148 L C 2.385 178.918 176.870 -0.563 0.000 1.073 148 L CA 2.288 56.886 54.840 -0.403 0.000 0.748 148 L CB -1.657 40.168 42.059 -0.389 0.000 0.891 148 L HN 0.062 nan 8.230 nan 0.000 0.431 149 V N -1.371 118.181 119.914 -0.604 0.000 2.548 149 V HA -0.199 3.922 4.120 0.002 0.000 0.249 149 V C 2.456 178.311 176.094 -0.399 0.000 1.055 149 V CA 1.887 63.849 62.300 -0.564 0.000 1.065 149 V CB -0.037 31.236 31.823 -0.917 0.000 0.681 149 V HN 0.622 nan 8.190 nan 0.000 0.462 150 S N -0.407 115.031 115.700 -0.436 0.000 2.402 150 S HA -0.161 4.310 4.470 0.002 0.000 0.229 150 S C 1.885 176.317 174.600 -0.281 0.000 1.021 150 S CA 1.885 59.950 58.200 -0.225 0.000 0.974 150 S CB -0.281 62.807 63.200 -0.187 0.000 0.800 150 S HN 0.754 nan 8.310 nan 0.000 0.484 151 T N 2.357 116.584 114.554 -0.545 0.000 2.809 151 T HA 0.090 4.441 4.350 0.002 0.000 0.260 151 T C 1.765 176.306 174.700 -0.266 0.000 1.039 151 T CA 0.899 62.690 62.100 -0.514 0.000 1.141 151 T CB -0.355 67.929 68.868 -0.973 0.000 0.869 151 T HN 0.249 nan 8.240 nan 0.000 0.437 152 I N 1.915 122.323 120.570 -0.270 0.000 2.091 152 I HA -0.223 3.948 4.170 0.002 0.000 0.239 152 I C 2.326 178.363 176.117 -0.133 0.000 1.061 152 I CA 1.456 62.653 61.300 -0.173 0.000 1.317 152 I CB -0.510 37.405 38.000 -0.142 0.000 1.031 152 I HN 0.084 nan 8.210 nan 0.000 0.401 153 D N -0.580 119.801 120.400 -0.032 0.000 2.158 153 D HA -0.264 4.378 4.640 0.002 0.000 0.197 153 D C 2.075 178.425 176.300 0.083 0.000 0.995 153 D CA 1.653 55.740 54.000 0.144 0.000 0.846 153 D CB -0.363 40.563 40.800 0.210 0.000 0.941 153 D HN 0.522 nan 8.370 nan 0.000 0.456 154 H N 0.046 119.078 119.070 -0.063 0.000 2.395 154 H HA 0.121 4.678 4.556 0.002 0.000 0.299 154 H C 1.721 176.991 175.328 -0.097 0.000 1.070 154 H CA 1.892 57.895 56.048 -0.074 0.000 1.356 154 H CB -0.029 29.658 29.762 -0.125 0.000 1.401 154 H HN 0.047 nan 8.280 nan 0.000 0.524 155 A N -0.348 122.308 122.820 -0.273 0.000 2.072 155 A HA 0.085 4.406 4.320 0.002 0.000 0.216 155 A C 2.022 179.536 177.584 -0.117 0.000 1.156 155 A CA 0.863 52.740 52.037 -0.266 0.000 0.701 155 A CB -0.274 18.667 19.000 -0.098 0.000 0.816 155 A HN 0.415 nan 8.150 nan 0.000 0.458 156 L N -1.179 119.921 121.223 -0.205 0.000 2.298 156 L HA 0.193 4.535 4.340 0.002 0.000 0.209 156 L C 2.534 179.357 176.870 -0.078 0.000 1.084 156 L CA 1.423 56.116 54.840 -0.245 0.000 0.816 156 L CB -0.428 41.212 42.059 -0.699 0.000 0.967 156 L HN 0.351 nan 8.230 nan 0.000 0.460 157 G N -1.566 107.240 108.800 0.009 0.000 2.448 157 G HA2 -0.187 3.774 3.960 0.002 0.000 0.218 157 G HA3 -0.187 3.774 3.960 0.002 0.000 0.218 157 G C 1.338 176.261 174.900 0.039 0.000 1.135 157 G CA 1.141 46.305 45.100 0.107 0.000 0.784 157 G HN 0.417 nan 8.290 nan 0.000 0.543 158 T N -1.541 112.990 114.554 -0.037 0.000 3.206 158 T HA 0.385 4.737 4.350 0.002 0.000 0.253 158 T C 0.558 175.340 174.700 0.137 0.000 1.042 158 T CA -0.536 61.576 62.100 0.021 0.000 0.931 158 T CB 0.200 69.023 68.868 -0.074 0.000 1.029 158 T HN 0.005 nan 8.240 nan 0.000 0.564 159 L N 2.674 123.952 121.223 0.092 0.000 2.385 159 L HA 0.371 4.712 4.340 0.002 0.000 0.285 159 L C 1.118 178.025 176.870 0.061 0.000 1.125 159 L CA -0.186 54.680 54.840 0.043 0.000 0.890 159 L CB 0.146 42.209 42.059 0.006 0.000 1.251 159 L HN 0.326 nan 8.230 nan 0.000 0.445 160 H N 4.137 123.191 119.070 -0.026 0.000 2.502 160 H HA 0.528 5.086 4.556 0.002 0.000 0.283 160 H C 0.122 175.435 175.328 -0.025 0.000 1.015 160 H CA 0.602 56.640 56.048 -0.016 0.000 1.298 160 H CB 0.408 30.163 29.762 -0.012 0.000 1.411 160 H HN 0.690 nan 8.280 nan 0.000 0.556 161 A N -1.850 120.915 122.820 -0.092 0.000 2.550 161 A HA 0.531 4.853 4.320 0.002 0.000 0.295 161 A C 0.198 177.729 177.584 -0.088 0.000 1.001 161 A CA -0.207 51.752 52.037 -0.130 0.000 0.660 161 A CB -0.032 18.867 19.000 -0.167 0.000 1.308 161 A HN 0.993 nan 8.150 nan 0.000 0.426 162 G N -0.839 107.915 108.800 -0.077 0.000 2.587 162 G HA2 0.520 4.482 3.960 0.002 0.000 0.212 162 G HA3 0.520 4.482 3.960 0.002 0.000 0.212 162 G C 0.637 175.495 174.900 -0.069 0.000 1.327 162 G CA 0.307 45.368 45.100 -0.066 0.000 0.898 162 G HN 2.485 nan 8.290 nan 0.000 0.551 163 G N -1.783 106.977 108.800 -0.065 0.000 2.462 163 G HA2 0.742 4.704 3.960 0.002 0.000 0.319 163 G HA3 0.742 4.704 3.960 0.002 0.000 0.319 163 G C -0.870 174.011 174.900 -0.032 0.000 1.171 163 G CA 0.165 45.229 45.100 -0.059 0.000 0.920 163 G HN 1.523 nan 8.290 nan 0.000 0.499 164 V N 0.839 120.758 119.914 0.008 0.000 2.612 164 V HA 0.274 4.396 4.120 0.002 0.000 0.301 164 V C -0.817 175.352 176.094 0.125 0.000 1.059 164 V CA -0.808 61.534 62.300 0.070 0.000 0.886 164 V CB 1.643 33.499 31.823 0.055 0.000 1.007 164 V HN 0.915 nan 8.190 nan 0.000 0.426 165 H N 6.145 125.256 119.070 0.069 0.000 2.597 165 H HA 0.575 5.132 4.556 0.001 0.000 0.303 165 H C -1.160 174.232 175.328 0.106 0.000 1.057 165 H CA -0.668 55.447 56.048 0.112 0.000 1.261 165 H CB 0.986 30.883 29.762 0.226 0.000 1.397 165 H HN 0.583 nan 8.280 nan 0.000 0.461 166 I N 5.039 125.561 120.570 -0.080 0.000 2.359 166 I HA 0.081 4.252 4.170 0.002 0.000 0.284 166 I C -0.116 175.895 176.117 -0.176 0.000 1.018 166 I CA -0.648 60.565 61.300 -0.145 0.000 1.173 166 I CB 1.054 39.041 38.000 -0.021 0.000 1.326 166 I HN 0.526 nan 8.210 nan 0.000 0.462 167 N N 5.108 123.626 118.700 -0.303 0.000 2.499 167 N HA 0.390 5.131 4.740 0.002 0.000 0.281 167 N C -1.278 174.207 175.510 -0.042 0.000 1.098 167 N CA -0.178 52.782 53.050 -0.151 0.000 0.979 167 N CB 1.069 39.457 38.487 -0.164 0.000 1.121 167 N HN 0.557 nan 8.380 nan 0.000 0.466 168 C N 5.268 124.566 119.300 -0.004 0.000 2.814 168 C HA 0.418 4.879 4.460 0.002 0.000 0.269 168 C C -2.480 172.325 174.990 -0.308 0.000 1.090 168 C CA -1.252 57.711 59.018 -0.091 0.000 1.492 168 C CB 0.529 28.325 27.740 0.094 0.000 1.825 168 C HN 0.644 nan 8.230 nan 0.000 0.442 169 P HA 0.431 nan 4.420 nan 0.000 0.275 169 P C -0.816 176.075 177.300 -0.681 0.000 1.227 169 P CA 0.134 63.042 63.100 -0.321 0.000 0.781 169 P CB 0.405 31.976 31.700 -0.214 0.000 0.906 170 F N 0.904 120.806 119.950 -0.079 0.000 2.561 170 F HA 0.581 5.110 4.527 0.003 0.000 0.313 170 F C 0.231 175.973 175.800 -0.096 0.000 1.126 170 F CA -0.989 56.940 58.000 -0.118 0.000 0.918 170 F CB 1.501 40.446 39.000 -0.093 0.000 1.199 170 F HN 0.179 nan 8.300 nan 0.000 0.444 171 A N 2.581 125.425 122.820 0.040 0.000 2.331 171 A HA 0.523 4.844 4.320 0.002 0.000 0.283 171 A C -0.063 177.536 177.584 0.025 0.000 1.142 171 A CA -0.596 51.447 52.037 0.010 0.000 0.812 171 A CB 0.196 19.175 19.000 -0.035 0.000 1.074 171 A HN 0.830 nan 8.150 nan 0.000 0.497 172 E N 2.118 122.329 120.200 0.019 0.000 2.436 172 E HA 0.219 4.570 4.350 0.002 0.000 0.262 172 E C -2.163 174.444 176.600 0.012 0.000 1.063 172 E CA -0.885 55.524 56.400 0.016 0.000 0.944 172 E CB 0.132 29.849 29.700 0.029 0.000 0.950 172 E HN 0.484 nan 8.360 nan 0.000 0.444 173 P HA 0.095 nan 4.420 nan 0.000 0.292 173 P C -0.138 177.153 177.300 -0.015 0.000 1.326 173 P CA -0.047 63.070 63.100 0.028 0.000 0.787 173 P CB 0.707 32.434 31.700 0.044 0.000 0.903 174 L N 2.098 123.270 121.223 -0.084 0.000 2.240 174 L HA 0.064 4.405 4.340 0.002 0.000 0.211 174 L C 0.484 177.099 176.870 -0.426 0.000 1.106 174 L CA 0.801 55.455 54.840 -0.310 0.000 0.793 174 L CB -0.727 41.037 42.059 -0.491 0.000 0.927 174 L HN 0.278 nan 8.230 nan 0.000 0.446 175 Y N -0.037 120.252 120.300 -0.018 0.000 2.457 175 Y HA 0.734 5.285 4.550 0.002 0.000 0.333 175 Y C 0.696 176.593 175.900 -0.005 0.000 1.119 175 Y CA -0.590 57.501 58.100 -0.015 0.000 1.143 175 Y CB 1.698 40.150 38.460 -0.014 0.000 1.230 175 Y HN -0.069 nan 8.280 nan 0.000 0.469 176 G N 0.510 109.403 108.800 0.155 0.000 2.313 176 G HA2 0.182 4.143 3.960 0.002 0.000 0.296 176 G HA3 0.182 4.143 3.960 0.002 0.000 0.296 176 G C -1.829 173.110 174.900 0.066 0.000 1.356 176 G CA -1.208 43.947 45.100 0.093 0.000 0.833 176 G HN 0.554 nan 8.290 nan 0.000 0.552 177 E N -0.304 119.925 120.200 0.048 0.000 2.414 177 E HA 0.196 4.547 4.350 0.002 0.000 0.263 177 E C 0.588 177.210 176.600 0.037 0.000 1.000 177 E CA -0.399 56.024 56.400 0.038 0.000 0.914 177 E CB 0.419 30.137 29.700 0.029 0.000 0.948 177 E HN 0.320 nan 8.360 nan 0.000 0.444 178 M N 4.866 124.486 119.600 0.034 0.000 3.435 178 M HA 0.030 4.511 4.480 0.002 0.000 0.205 178 M C -0.599 175.721 176.300 0.033 0.000 1.324 178 M CA -0.363 54.957 55.300 0.033 0.000 1.455 178 M CB -1.772 30.846 32.600 0.029 0.000 1.240 178 M HN 0.511 nan 8.290 nan 0.000 0.477 179 D N 1.468 121.889 120.400 0.036 0.000 2.631 179 D HA -0.198 4.444 4.640 0.002 0.000 0.225 179 D C -0.241 176.089 176.300 0.049 0.000 1.189 179 D CA 0.792 54.816 54.000 0.039 0.000 0.871 179 D CB 0.723 41.548 40.800 0.042 0.000 1.224 179 D HN 0.526 nan 8.370 nan 0.000 0.510 180 D N 0.705 121.134 120.400 0.049 0.000 3.168 180 D HA 0.094 4.735 4.640 0.002 0.000 0.255 180 D C 0.888 177.240 176.300 0.087 0.000 1.314 180 D CA -0.409 53.629 54.000 0.063 0.000 0.900 180 D CB 0.051 40.880 40.800 0.049 0.000 1.072 180 D HN 0.143 nan 8.370 nan 0.000 0.487 181 T N -0.901 113.712 114.554 0.098 0.000 2.867 181 T HA -0.016 4.335 4.350 0.002 0.000 0.268 181 T C 1.745 176.547 174.700 0.170 0.000 1.057 181 T CA 1.345 63.508 62.100 0.106 0.000 1.136 181 T CB 0.019 68.941 68.868 0.091 0.000 0.874 181 T HN 0.539 nan 8.240 nan 0.000 0.466 182 G N 0.151 109.108 108.800 0.261 0.000 3.393 182 G HA2 0.297 4.258 3.960 0.002 0.000 0.255 182 G HA3 0.297 4.258 3.960 0.002 0.000 0.255 182 G C 1.204 176.332 174.900 0.380 0.000 1.097 182 G CA -0.274 45.073 45.100 0.413 0.000 0.780 182 G HN 0.426 nan 8.290 nan 0.000 0.540 183 L N 1.103 122.462 121.223 0.227 0.000 1.971 183 L HA -0.166 4.175 4.340 0.002 0.000 0.215 183 L C 2.821 179.803 176.870 0.186 0.000 1.072 183 L CA 2.556 57.492 54.840 0.160 0.000 0.758 183 L CB -0.291 41.817 42.059 0.083 0.000 0.889 183 L HN 0.192 nan 8.230 nan 0.000 0.433 184 S N -0.939 114.873 115.700 0.188 0.000 2.402 184 S HA -0.291 4.181 4.470 0.002 0.000 0.233 184 S C 1.418 176.161 174.600 0.238 0.000 1.030 184 S CA 1.761 60.067 58.200 0.176 0.000 1.003 184 S CB -0.997 62.295 63.200 0.153 0.000 0.813 184 S HN 0.774 nan 8.310 nan 0.000 0.477 185 W N 2.272 123.658 121.300 0.143 0.000 2.379 185 W HA -0.078 4.583 4.660 0.001 0.000 0.307 185 W C 2.294 178.923 176.519 0.183 0.000 1.200 185 W CA 1.192 58.646 57.345 0.182 0.000 1.297 185 W CB -0.381 29.254 29.460 0.292 0.000 1.140 185 W HN 0.222 nan 8.180 nan 0.000 0.507 186 Q N -0.051 119.965 119.800 0.359 0.000 2.096 186 Q HA -0.284 4.058 4.340 0.002 0.000 0.204 186 Q C 2.122 178.258 176.000 0.226 0.000 0.982 186 Q CA 1.814 57.753 55.803 0.228 0.000 0.850 186 Q CB -0.539 28.318 28.738 0.198 0.000 0.901 186 Q HN 0.493 nan 8.270 nan 0.000 0.422 187 Q N -0.113 119.770 119.800 0.138 0.000 2.541 187 Q HA -0.043 4.299 4.340 0.002 0.000 0.215 187 Q C 1.360 177.445 176.000 0.142 0.000 0.977 187 Q CA 0.190 56.077 55.803 0.140 0.000 0.934 187 Q CB 0.263 29.052 28.738 0.084 0.000 0.988 187 Q HN 0.133 nan 8.270 nan 0.000 0.521 188 R N -0.003 120.525 120.500 0.046 0.000 2.323 188 R HA 0.034 4.375 4.340 0.002 0.000 0.198 188 R C 1.321 177.627 176.300 0.011 0.000 0.988 188 R CA 0.438 56.539 56.100 0.001 0.000 1.041 188 R CB 0.096 30.339 30.300 -0.096 0.000 0.926 188 R HN 0.327 nan 8.270 nan 0.000 0.476 189 L N -0.845 120.400 121.223 0.036 0.000 2.567 189 L HA 0.159 4.500 4.340 0.002 0.000 0.225 189 L C 1.328 178.450 176.870 0.421 0.000 1.119 189 L CA 0.342 55.211 54.840 0.048 0.000 0.871 189 L CB -0.323 41.497 42.059 -0.398 0.000 1.036 189 L HN 0.229 nan 8.230 nan 0.000 0.459 190 G N 2.035 111.061 108.800 0.376 0.000 2.566 190 G HA2 -0.421 3.541 3.960 0.002 0.000 0.280 190 G HA3 -0.421 3.541 3.960 0.002 0.000 0.280 190 G C 0.388 175.522 174.900 0.391 0.000 1.225 190 G CA 0.428 45.725 45.100 0.327 0.000 0.966 190 G HN 0.515 nan 8.290 nan 0.000 0.560 191 D N -0.342 120.227 120.400 0.282 0.000 2.378 191 D HA 0.002 4.643 4.640 0.002 0.000 0.227 191 D C 1.658 178.113 176.300 0.258 0.000 1.012 191 D CA 1.327 55.468 54.000 0.234 0.000 0.905 191 D CB -0.459 40.421 40.800 0.134 0.000 0.895 191 D HN 0.622 nan 8.370 nan 0.000 0.532 192 W N 0.629 122.009 121.300 0.133 0.000 2.305 192 W HA -0.195 4.466 4.660 0.003 0.000 0.308 192 W C 1.337 177.870 176.519 0.023 0.000 1.226 192 W CA 1.516 58.898 57.345 0.062 0.000 1.253 192 W CB -0.542 28.994 29.460 0.126 0.000 1.146 192 W HN 0.015 nan 8.180 nan 0.000 0.507 193 W N -0.023 121.414 121.300 0.229 0.000 2.350 193 W HA -0.205 4.456 4.660 0.002 0.000 0.289 193 W C 2.259 178.671 176.519 -0.177 0.000 1.215 193 W CA 1.563 58.913 57.345 0.008 0.000 1.236 193 W CB -0.595 28.959 29.460 0.158 0.000 1.130 193 W HN -0.052 nan 8.180 nan 0.000 0.541 194 Q N -0.649 119.216 119.800 0.107 0.000 2.392 194 Q HA 0.018 4.359 4.340 0.002 0.000 0.203 194 Q C 0.559 176.500 176.000 -0.097 0.000 0.917 194 Q CA 0.411 56.219 55.803 0.009 0.000 0.939 194 Q CB -0.096 28.669 28.738 0.045 0.000 1.063 194 Q HN 0.008 nan 8.270 nan 0.000 0.516 195 D N 0.463 120.755 120.400 -0.179 0.000 2.393 195 D HA -0.024 4.617 4.640 0.002 0.000 0.246 195 D C 0.337 176.439 176.300 -0.329 0.000 1.275 195 D CA 0.255 54.118 54.000 -0.228 0.000 0.979 195 D CB 0.772 41.437 40.800 -0.225 0.000 1.101 195 D HN 0.132 nan 8.370 nan 0.000 0.505 196 D N -0.953 119.292 120.400 -0.260 0.000 2.525 196 D HA 0.024 4.665 4.640 0.002 0.000 0.231 196 D C -0.133 176.039 176.300 -0.213 0.000 1.216 196 D CA -0.194 53.661 54.000 -0.242 0.000 0.813 196 D CB 0.213 40.915 40.800 -0.164 0.000 1.108 196 D HN 0.024 nan 8.370 nan 0.000 0.524 197 K N 1.272 121.559 120.400 -0.188 0.000 2.090 197 K HA 0.438 4.759 4.320 0.002 0.000 0.250 197 K C -2.447 174.113 176.600 -0.066 0.000 1.004 197 K CA -1.882 54.331 56.287 -0.123 0.000 0.919 197 K CB 0.297 32.759 32.500 -0.063 0.000 1.045 197 K HN -0.009 nan 8.250 nan 0.000 0.471 198 P HA -0.076 nan 4.420 nan 0.000 0.269 198 P C 0.687 178.225 177.300 0.396 0.000 1.217 198 P CA -0.074 63.138 63.100 0.186 0.000 0.783 198 P CB 0.446 32.128 31.700 -0.031 0.000 0.898 199 W N 2.960 124.408 121.300 0.246 0.000 2.355 199 W HA -0.062 4.599 4.660 0.001 0.000 0.309 199 W C -0.164 176.326 176.519 -0.047 0.000 1.206 199 W CA 0.957 58.256 57.345 -0.077 0.000 1.284 199 W CB -0.085 29.098 29.460 -0.461 0.000 1.145 199 W HN 0.167 nan 8.180 nan 0.000 0.502 200 L N 1.803 123.110 121.223 0.140 0.000 2.372 200 L HA 0.435 4.776 4.340 0.002 0.000 0.274 200 L C -0.668 176.237 176.870 0.058 0.000 0.988 200 L CA -0.528 54.330 54.840 0.030 0.000 0.833 200 L CB 1.538 43.649 42.059 0.088 0.000 1.236 200 L HN -0.195 nan 8.230 nan 0.000 0.410 201 R N 4.326 124.832 120.500 0.010 0.000 2.198 201 R HA 0.437 4.778 4.340 0.002 0.000 0.339 201 R C -0.780 175.540 176.300 0.034 0.000 1.020 201 R CA -0.289 55.822 56.100 0.018 0.000 0.864 201 R CB 0.922 31.213 30.300 -0.015 0.000 1.105 201 R HN 0.632 nan 8.270 nan 0.000 0.463 202 E N 2.168 122.406 120.200 0.062 0.000 2.343 202 E HA 0.431 4.782 4.350 0.002 0.000 0.260 202 E C -1.601 175.035 176.600 0.061 0.000 0.908 202 E CA -0.561 55.878 56.400 0.066 0.000 0.814 202 E CB 1.484 31.247 29.700 0.105 0.000 1.302 202 E HN 0.709 nan 8.360 nan 0.000 0.408 203 A N 5.192 128.041 122.820 0.049 0.000 3.411 203 A HA 0.301 4.622 4.320 0.002 0.000 0.238 203 A C -2.566 175.043 177.584 0.041 0.000 1.140 203 A CA -0.880 51.188 52.037 0.051 0.000 0.980 203 A CB 0.163 19.197 19.000 0.056 0.000 1.371 203 A HN 0.491 nan 8.150 nan 0.000 0.700 204 P HA 0.264 nan 4.420 nan 0.000 0.268 204 P C -0.258 177.057 177.300 0.025 0.000 1.204 204 P CA 0.126 63.242 63.100 0.027 0.000 0.768 204 P CB 0.612 32.326 31.700 0.024 0.000 0.842 205 R N 1.390 121.902 120.500 0.019 0.000 2.531 205 R HA 0.411 4.752 4.340 0.002 0.000 0.273 205 R C -0.240 176.047 176.300 -0.021 0.000 1.070 205 R CA -0.831 55.279 56.100 0.017 0.000 1.112 205 R CB 0.367 30.683 30.300 0.026 0.000 1.049 205 R HN 0.354 nan 8.270 nan 0.000 0.508 206 L N 2.041 123.223 121.223 -0.068 0.000 2.295 206 L HA 0.305 4.646 4.340 0.002 0.000 0.281 206 L C -0.815 176.006 176.870 -0.081 0.000 1.018 206 L CA 0.262 55.022 54.840 -0.134 0.000 0.841 206 L CB 1.050 42.908 42.059 -0.334 0.000 1.218 206 L HN 0.615 nan 8.230 nan 0.000 0.424 207 E N 2.423 122.604 120.200 -0.031 0.000 2.278 207 E HA 0.428 4.779 4.350 0.002 0.000 0.272 207 E C -1.037 175.575 176.600 0.021 0.000 0.890 207 E CA -0.521 55.886 56.400 0.013 0.000 0.770 207 E CB 1.467 31.188 29.700 0.034 0.000 1.212 207 E HN 0.582 nan 8.360 nan 0.000 0.415 208 S N 2.574 118.301 115.700 0.044 0.000 2.549 208 S HA 0.020 4.491 4.470 0.002 0.000 0.283 208 S C 0.202 174.851 174.600 0.081 0.000 1.320 208 S CA -0.208 58.025 58.200 0.055 0.000 1.058 208 S CB 0.944 64.184 63.200 0.066 0.000 0.882 208 S HN 0.554 nan 8.310 nan 0.000 0.498 209 E N 1.498 121.731 120.200 0.055 0.000 2.392 209 E HA 0.064 4.416 4.350 0.002 0.000 0.259 209 E C 0.236 176.888 176.600 0.086 0.000 1.108 209 E CA -0.429 56.001 56.400 0.049 0.000 0.916 209 E CB 0.483 30.200 29.700 0.029 0.000 0.989 209 E HN 0.454 nan 8.360 nan 0.000 0.432 210 K N 2.394 122.819 120.400 0.042 0.000 2.491 210 K HA -0.095 4.226 4.320 0.002 0.000 0.279 210 K C -0.549 176.167 176.600 0.193 0.000 1.026 210 K CA -0.115 56.201 56.287 0.048 0.000 1.070 210 K CB 0.461 32.897 32.500 -0.107 0.000 0.887 210 K HN 0.381 nan 8.250 nan 0.000 0.481 211 Q N 4.648 124.739 119.800 0.485 0.000 2.388 211 Q HA -0.030 4.311 4.340 0.002 0.000 0.246 211 Q C 0.629 176.840 176.000 0.350 0.000 1.246 211 Q CA 0.488 56.478 55.803 0.312 0.000 0.895 211 Q CB 0.400 29.232 28.738 0.156 0.000 1.510 211 Q HN 0.539 nan 8.270 nan 0.000 0.503 212 R N 1.355 121.979 120.500 0.206 0.000 2.193 212 R HA -0.119 4.222 4.340 0.002 0.000 0.229 212 R C 0.728 177.135 176.300 0.179 0.000 1.110 212 R CA 1.207 57.384 56.100 0.130 0.000 0.988 212 R CB 0.275 30.613 30.300 0.063 0.000 0.871 212 R HN 0.546 nan 8.270 nan 0.000 0.458 213 D N -0.380 120.220 120.400 0.333 0.000 2.336 213 D HA -0.125 4.516 4.640 0.002 0.000 0.228 213 D C 1.326 178.067 176.300 0.734 0.000 1.120 213 D CA -0.293 53.974 54.000 0.444 0.000 0.839 213 D CB -0.612 40.473 40.800 0.475 0.000 0.932 213 D HN 0.357 nan 8.370 nan 0.000 0.509 214 W N 0.490 122.111 121.300 0.534 0.000 2.363 214 W HA -0.227 4.434 4.660 0.002 0.000 0.296 214 W C 0.527 177.440 176.519 0.657 0.000 1.212 214 W CA 0.369 58.120 57.345 0.677 0.000 1.260 214 W CB -0.189 29.643 29.460 0.621 0.000 1.131 214 W HN -0.135 nan 8.180 nan 0.000 0.530 215 F N 0.509 120.481 119.950 0.038 0.000 2.126 215 F HA -0.191 4.338 4.527 0.002 0.000 0.299 215 F C 2.349 178.046 175.800 -0.172 0.000 1.096 215 F CA 1.124 59.000 58.000 -0.206 0.000 1.255 215 F CB -1.957 37.018 39.000 -0.042 0.000 0.997 215 F HN -0.092 nan 8.300 nan 0.000 0.479 216 F N -0.783 119.190 119.950 0.038 0.000 2.102 216 F HA -0.208 4.320 4.527 0.002 0.000 0.298 216 F C 2.074 177.716 175.800 -0.264 0.000 1.105 216 F CA 1.420 59.317 58.000 -0.171 0.000 1.239 216 F CB -0.984 37.852 39.000 -0.273 0.000 0.991 216 F HN -0.067 nan 8.300 nan 0.000 0.474 217 W N 1.476 122.706 121.300 -0.118 0.000 2.402 217 W HA -0.110 4.551 4.660 0.002 0.000 0.286 217 W C 2.622 178.973 176.519 -0.279 0.000 1.221 217 W CA 1.425 58.645 57.345 -0.208 0.000 1.257 217 W CB -0.365 29.215 29.460 0.200 0.000 1.120 217 W HN 0.033 nan 8.180 nan 0.000 0.551 218 R N 0.153 120.357 120.500 -0.494 0.000 2.276 218 R HA -0.040 4.301 4.340 0.002 0.000 0.203 218 R C 1.392 177.474 176.300 -0.363 0.000 1.017 218 R CA 0.873 56.523 56.100 -0.750 0.000 1.010 218 R CB -0.455 28.919 30.300 -1.544 0.000 0.900 218 R HN 0.148 nan 8.270 nan 0.000 0.469 219 Q N 0.886 120.511 119.800 -0.291 0.000 2.389 219 Q HA 0.121 4.462 4.340 0.002 0.000 0.204 219 Q C 0.046 175.983 176.000 -0.105 0.000 0.944 219 Q CA 0.779 56.456 55.803 -0.210 0.000 0.908 219 Q CB 0.218 28.811 28.738 -0.241 0.000 1.002 219 Q HN 0.232 nan 8.270 nan 0.000 0.493 220 K N 1.118 121.479 120.400 -0.065 0.000 2.107 220 K HA 0.214 4.535 4.320 0.002 0.000 0.251 220 K C 0.137 176.678 176.600 -0.098 0.000 1.012 220 K CA -0.421 55.786 56.287 -0.134 0.000 0.920 220 K CB 0.595 33.002 32.500 -0.156 0.000 1.033 220 K HN -0.013 nan 8.250 nan 0.000 0.478 221 R N 0.826 121.088 120.500 -0.397 0.000 2.413 221 R HA 0.125 4.466 4.340 0.002 0.000 0.333 221 R C 0.547 176.250 176.300 -0.996 0.000 1.074 221 R CA -0.019 55.534 56.100 -0.912 0.000 0.982 221 R CB -0.163 29.384 30.300 -1.256 0.000 0.981 221 R HN 0.611 nan 8.270 nan 0.000 0.452 222 G N 1.104 109.065 108.800 -1.398 0.000 2.568 222 G HA2 0.572 4.533 3.960 0.002 0.000 0.313 222 G HA3 0.572 4.533 3.960 0.002 0.000 0.313 222 G C -1.061 173.169 174.900 -1.116 0.000 1.227 222 G CA -0.435 43.529 45.100 -1.893 0.000 0.979 222 G HN 0.282 nan 8.290 nan 0.000 0.486 223 V N -0.266 119.314 119.914 -0.557 0.000 2.823 223 V HA 0.565 4.686 4.120 0.002 0.000 0.312 223 V C -0.450 175.707 176.094 0.105 0.000 1.072 223 V CA -0.660 61.626 62.300 -0.023 0.000 0.937 223 V CB 2.087 33.996 31.823 0.143 0.000 1.013 223 V HN 0.564 nan 8.190 nan 0.000 0.430 224 V N 4.165 124.230 119.914 0.253 0.000 2.459 224 V HA 0.562 4.684 4.120 0.002 0.000 0.295 224 V C -0.409 175.806 176.094 0.201 0.000 1.029 224 V CA -0.588 61.894 62.300 0.303 0.000 0.874 224 V CB 1.822 33.914 31.823 0.448 0.000 0.985 224 V HN 0.595 nan 8.190 nan 0.000 0.438 225 V N 3.449 123.461 119.914 0.164 0.000 2.448 225 V HA 0.812 4.934 4.120 0.002 0.000 0.295 225 V C 0.240 176.396 176.094 0.103 0.000 1.025 225 V CA -0.568 61.817 62.300 0.142 0.000 0.859 225 V CB 1.691 33.629 31.823 0.192 0.000 0.988 225 V HN 0.984 nan 8.190 nan 0.000 0.431 226 A N 3.584 126.455 122.820 0.085 0.000 2.323 226 A HA 0.845 5.166 4.320 0.002 0.000 0.305 226 A C 0.414 178.017 177.584 0.032 0.000 1.275 226 A CA 0.104 52.174 52.037 0.055 0.000 0.804 226 A CB 0.832 19.869 19.000 0.062 0.000 1.152 226 A HN 0.988 nan 8.150 nan 0.000 0.487 227 G N 0.714 109.526 108.800 0.019 0.000 2.773 227 G HA2 0.431 4.392 3.960 0.002 0.000 0.186 227 G HA3 0.431 4.392 3.960 0.002 0.000 0.186 227 G C 0.197 175.089 174.900 -0.013 0.000 1.411 227 G CA -0.771 44.332 45.100 0.005 0.000 1.054 227 G HN 0.810 nan 8.290 nan 0.000 0.579 228 R N 0.198 120.686 120.500 -0.020 0.000 2.442 228 R HA 0.430 4.771 4.340 0.002 0.000 0.291 228 R C -0.117 176.164 176.300 -0.032 0.000 1.069 228 R CA 0.460 56.542 56.100 -0.031 0.000 1.022 228 R CB -0.011 30.273 30.300 -0.027 0.000 0.976 228 R HN 0.658 nan 8.270 nan 0.000 0.443 229 M N 0.492 120.068 119.600 -0.040 0.000 3.012 229 M HA 0.251 4.732 4.480 0.002 0.000 0.272 229 M C -1.061 175.210 176.300 -0.048 0.000 1.187 229 M CA -0.983 54.295 55.300 -0.037 0.000 0.813 229 M CB 1.458 34.037 32.600 -0.036 0.000 1.626 229 M HN 0.520 nan 8.290 nan 0.000 0.507 230 S N 0.944 116.623 115.700 -0.035 0.000 2.593 230 S HA 0.621 5.092 4.470 0.002 0.000 0.269 230 S C 1.139 175.706 174.600 -0.055 0.000 1.334 230 S CA -0.064 58.112 58.200 -0.040 0.000 1.015 230 S CB 1.288 64.481 63.200 -0.011 0.000 0.912 230 S HN 1.165 nan 8.310 nan 0.000 0.541 231 A N 1.410 124.185 122.820 -0.076 0.000 1.927 231 A HA -0.160 4.161 4.320 0.002 0.000 0.220 231 A C 2.167 179.733 177.584 -0.030 0.000 1.185 231 A CA 1.810 53.807 52.037 -0.067 0.000 0.639 231 A CB -0.984 17.965 19.000 -0.085 0.000 0.820 231 A HN 0.871 nan 8.150 nan 0.000 0.451 232 E N -0.225 119.963 120.200 -0.020 0.000 2.150 232 E HA -0.138 4.214 4.350 0.002 0.000 0.193 232 E C 1.922 178.521 176.600 -0.000 0.000 0.985 232 E CA 1.259 57.656 56.400 -0.006 0.000 0.814 232 E CB -0.332 29.367 29.700 -0.002 0.000 0.752 232 E HN 0.813 nan 8.360 nan 0.000 0.466 233 E N 0.004 120.200 120.200 -0.007 0.000 2.107 233 E HA -0.076 4.275 4.350 0.002 0.000 0.191 233 E C 2.119 178.720 176.600 0.001 0.000 0.982 233 E CA 0.820 57.215 56.400 -0.008 0.000 0.809 233 E CB -0.242 29.446 29.700 -0.020 0.000 0.756 233 E HN 0.268 nan 8.360 nan 0.000 0.459 234 G N 2.207 111.006 108.800 -0.001 0.000 2.491 234 G HA2 -0.334 3.627 3.960 0.002 0.000 0.218 234 G HA3 -0.334 3.627 3.960 0.002 0.000 0.218 234 G C 1.409 176.329 174.900 0.033 0.000 1.180 234 G CA 1.043 46.151 45.100 0.013 0.000 0.774 234 G HN 0.130 nan 8.290 nan 0.000 0.562 235 K N 0.393 120.810 120.400 0.028 0.000 2.032 235 K HA -0.104 4.218 4.320 0.002 0.000 0.209 235 K C 2.582 179.218 176.600 0.060 0.000 1.048 235 K CA 1.435 57.745 56.287 0.039 0.000 0.927 235 K CB -0.219 32.299 32.500 0.029 0.000 0.712 235 K HN 0.217 nan 8.250 nan 0.000 0.441 236 K N 0.671 121.103 120.400 0.054 0.000 2.057 236 K HA -0.102 4.220 4.320 0.002 0.000 0.207 236 K C 2.117 178.789 176.600 0.121 0.000 1.049 236 K CA 1.082 57.413 56.287 0.072 0.000 0.931 236 K CB -0.080 32.442 32.500 0.036 0.000 0.714 236 K HN -0.066 nan 8.250 nan 0.000 0.440 237 V N 1.112 121.083 119.914 0.095 0.000 2.515 237 V HA -0.226 3.896 4.120 0.002 0.000 0.250 237 V C 2.214 178.457 176.094 0.250 0.000 1.058 237 V CA 1.776 64.171 62.300 0.158 0.000 1.064 237 V CB -0.442 31.426 31.823 0.074 0.000 0.675 237 V HN 0.359 nan 8.190 nan 0.000 0.461 238 A N 0.132 123.049 122.820 0.161 0.000 1.859 238 A HA -0.240 4.081 4.320 0.002 0.000 0.217 238 A C 2.163 179.837 177.584 0.150 0.000 1.198 238 A CA 2.210 54.329 52.037 0.137 0.000 0.629 238 A CB -0.701 18.351 19.000 0.085 0.000 0.830 238 A HN 0.473 nan 8.150 nan 0.000 0.446 239 L N -2.776 118.536 121.223 0.148 0.000 2.079 239 L HA -0.202 4.139 4.340 0.002 0.000 0.210 239 L C 2.445 179.421 176.870 0.176 0.000 1.081 239 L CA 1.775 56.694 54.840 0.133 0.000 0.752 239 L CB -0.446 41.683 42.059 0.116 0.000 0.896 239 L HN 0.758 nan 8.230 nan 0.000 0.433 240 W N 0.240 121.566 121.300 0.043 0.000 2.409 240 W HA -0.140 4.522 4.660 0.002 0.000 0.299 240 W C 2.468 179.007 176.519 0.033 0.000 1.203 240 W CA 1.543 58.918 57.345 0.050 0.000 1.298 240 W CB -0.110 29.405 29.460 0.091 0.000 1.127 240 W HN 0.089 nan 8.180 nan 0.000 0.528 241 A N -0.029 122.932 122.820 0.234 0.000 1.898 241 A HA -0.252 4.069 4.320 0.002 0.000 0.216 241 A C 1.985 179.551 177.584 -0.030 0.000 1.181 241 A CA 1.861 53.944 52.037 0.076 0.000 0.620 241 A CB -1.188 17.971 19.000 0.266 0.000 0.819 241 A HN 0.535 nan 8.150 nan 0.000 0.442 242 Q N -0.605 119.202 119.800 0.012 0.000 2.045 242 Q HA -0.200 4.141 4.340 0.002 0.000 0.206 242 Q C 2.090 178.036 176.000 -0.090 0.000 0.991 242 Q CA 2.529 58.318 55.803 -0.024 0.000 0.851 242 Q CB -0.470 28.270 28.738 0.002 0.000 0.911 242 Q HN 0.575 nan 8.270 nan 0.000 0.418 243 T N 1.600 116.086 114.554 -0.114 0.000 2.597 243 T HA -0.209 4.142 4.350 0.002 0.000 0.267 243 T C 1.732 176.271 174.700 -0.269 0.000 1.053 243 T CA 1.859 63.859 62.100 -0.167 0.000 1.165 243 T CB -0.388 68.382 68.868 -0.163 0.000 0.863 243 T HN 0.296 nan 8.240 nan 0.000 0.427 244 L N 0.533 121.479 121.223 -0.462 0.000 2.456 244 L HA 0.140 4.481 4.340 0.002 0.000 0.224 244 L C 1.846 178.466 176.870 -0.416 0.000 1.148 244 L CA 0.593 55.035 54.840 -0.663 0.000 0.825 244 L CB -0.756 40.490 42.059 -1.356 0.000 0.937 244 L HN 0.557 nan 8.230 nan 0.000 0.450 245 G N -1.585 107.099 108.800 -0.193 0.000 2.198 245 G HA2 -0.240 3.721 3.960 0.002 0.000 0.257 245 G HA3 -0.240 3.721 3.960 0.002 0.000 0.257 245 G C -0.340 174.686 174.900 0.210 0.000 1.042 245 G CA -0.423 44.673 45.100 -0.007 0.000 0.791 245 G HN 0.157 nan 8.290 nan 0.000 0.502 246 W N 0.355 121.638 121.300 -0.028 0.000 2.449 246 W HA 0.568 5.229 4.660 0.002 0.000 0.331 246 W C -1.754 174.706 176.519 -0.100 0.000 1.119 246 W CA -3.141 54.215 57.345 0.018 0.000 1.240 246 W CB 0.756 30.285 29.460 0.114 0.000 1.251 246 W HN 0.051 nan 8.180 nan 0.000 0.576 247 P HA 0.135 nan 4.420 nan 0.000 0.276 247 P C -0.813 176.529 177.300 0.070 0.000 1.235 247 P CA -0.268 62.780 63.100 -0.086 0.000 0.772 247 P CB 1.311 32.837 31.700 -0.291 0.000 0.871 248 L N 5.185 126.462 121.223 0.090 0.000 2.264 248 L HA 0.396 4.737 4.340 0.002 0.000 0.289 248 L C -0.362 176.586 176.870 0.129 0.000 1.044 248 L CA -0.526 54.397 54.840 0.138 0.000 0.807 248 L CB 0.249 42.394 42.059 0.144 0.000 1.192 248 L HN 0.229 nan 8.230 nan 0.000 0.425 249 I N 5.308 125.952 120.570 0.124 0.000 2.312 249 I HA 0.455 4.626 4.170 0.002 0.000 0.291 249 I C 0.771 176.931 176.117 0.071 0.000 1.031 249 I CA 0.105 61.463 61.300 0.097 0.000 1.293 249 I CB 1.034 39.043 38.000 0.016 0.000 1.403 249 I HN 0.776 nan 8.210 nan 0.000 0.484 250 G N 3.996 112.829 108.800 0.055 0.000 2.478 250 G HA2 0.388 4.349 3.960 0.002 0.000 0.317 250 G HA3 0.388 4.349 3.960 0.002 0.000 0.317 250 G C -1.242 173.662 174.900 0.006 0.000 1.259 250 G CA -0.406 44.719 45.100 0.040 0.000 0.933 250 G HN 0.545 nan 8.290 nan 0.000 0.478 251 D N 0.893 121.294 120.400 0.001 0.000 2.329 251 D HA 0.278 4.919 4.640 0.002 0.000 0.246 251 D C 1.966 178.252 176.300 -0.025 0.000 1.111 251 D CA -0.317 53.672 54.000 -0.019 0.000 0.941 251 D CB 1.721 42.512 40.800 -0.015 0.000 1.169 251 D HN 0.177 nan 8.370 nan 0.000 0.441 252 V N 1.184 121.076 119.914 -0.037 0.000 2.317 252 V HA -0.250 3.872 4.120 0.002 0.000 0.251 252 V C 2.050 178.116 176.094 -0.047 0.000 1.065 252 V CA 1.232 63.507 62.300 -0.042 0.000 1.049 252 V CB -0.889 30.902 31.823 -0.053 0.000 0.651 252 V HN 0.513 nan 8.190 nan 0.000 0.450 253 L N 1.535 122.727 121.223 -0.052 0.000 2.313 253 L HA -0.012 4.329 4.340 0.002 0.000 0.214 253 L C 2.815 179.649 176.870 -0.060 0.000 1.119 253 L CA 1.872 56.673 54.840 -0.066 0.000 0.809 253 L CB -0.999 41.026 42.059 -0.058 0.000 0.933 253 L HN 0.685 nan 8.230 nan 0.000 0.449 254 S N -0.496 115.182 115.700 -0.035 0.000 2.355 254 S HA -0.228 4.243 4.470 0.002 0.000 0.222 254 S C 1.047 175.633 174.600 -0.023 0.000 1.031 254 S CA 0.799 58.986 58.200 -0.022 0.000 0.993 254 S CB -0.318 62.883 63.200 0.002 0.000 0.859 254 S HN 0.505 nan 8.310 nan 0.000 0.453 255 Q N 0.288 120.078 119.800 -0.017 0.000 2.504 255 Q HA -0.124 4.217 4.340 0.002 0.000 0.274 255 Q C 0.724 176.732 176.000 0.012 0.000 1.103 255 Q CA 0.941 56.742 55.803 -0.004 0.000 0.962 255 Q CB -2.742 25.982 28.738 -0.024 0.000 1.322 255 Q HN 0.905 nan 8.270 nan 0.000 0.500 256 T N -4.697 109.869 114.554 0.019 0.000 3.129 256 T HA 0.410 4.761 4.350 0.002 0.000 0.251 256 T C 1.532 176.251 174.700 0.032 0.000 1.117 256 T CA 0.753 62.874 62.100 0.035 0.000 1.034 256 T CB 0.758 69.658 68.868 0.052 0.000 0.968 256 T HN 1.016 nan 8.240 nan 0.000 0.526 257 G N 1.531 110.344 108.800 0.021 0.000 2.234 257 G HA2 -0.305 3.656 3.960 0.002 0.000 0.235 257 G HA3 -0.305 3.656 3.960 0.002 0.000 0.235 257 G C 0.154 175.061 174.900 0.013 0.000 0.997 257 G CA -0.155 44.952 45.100 0.012 0.000 0.623 257 G HN 0.702 nan 8.290 nan 0.000 0.514 258 Q N -0.743 119.073 119.800 0.025 0.000 2.434 258 Q HA -0.187 4.154 4.340 0.002 0.000 0.366 258 Q C -1.143 174.883 176.000 0.044 0.000 1.398 258 Q CA 0.626 56.453 55.803 0.040 0.000 1.074 258 Q CB -0.748 28.009 28.738 0.031 0.000 1.236 258 Q HN 0.557 nan 8.270 nan 0.000 0.329 259 P HA -0.151 nan 4.420 nan 0.000 0.222 259 P C 0.289 177.602 177.300 0.021 0.000 1.147 259 P CA 1.218 64.330 63.100 0.019 0.000 0.790 259 P CB 0.295 32.002 31.700 0.010 0.000 0.780 260 L N 1.382 122.651 121.223 0.077 0.000 2.825 260 L HA 0.361 4.702 4.340 0.002 0.000 0.236 260 L C -2.118 174.960 176.870 0.347 0.000 1.301 260 L CA -2.116 52.807 54.840 0.139 0.000 0.977 260 L CB 0.536 42.666 42.059 0.119 0.000 1.300 260 L HN -0.112 nan 8.230 nan 0.000 0.486 261 P HA -0.030 nan 4.420 nan 0.000 0.271 261 P C 0.477 177.905 177.300 0.213 0.000 1.233 261 P CA 0.016 63.210 63.100 0.157 0.000 0.789 261 P CB 0.905 32.659 31.700 0.089 0.000 0.951 262 C N -0.932 118.413 119.300 0.075 0.000 4.432 262 C HA -0.129 4.332 4.460 0.002 0.000 0.294 262 C C 2.241 177.113 174.990 -0.196 0.000 1.398 262 C CA 0.292 59.315 59.018 0.008 0.000 1.988 262 C CB -3.172 24.617 27.740 0.082 0.000 1.251 262 C HN 0.764 nan 8.230 nan 0.000 0.791 263 A N 0.444 123.006 122.820 -0.430 0.000 1.929 263 A HA -0.338 3.984 4.320 0.002 0.000 0.221 263 A C 1.743 178.835 177.584 -0.819 0.000 1.211 263 A CA 2.843 54.208 52.037 -1.120 0.000 0.657 263 A CB -0.552 18.040 19.000 -0.680 0.000 0.827 263 A HN 0.731 nan 8.150 nan 0.000 0.462 264 D N -0.957 119.199 120.400 -0.408 0.000 2.218 264 D HA -0.069 4.572 4.640 0.002 0.000 0.204 264 D C 1.767 177.936 176.300 -0.217 0.000 0.976 264 D CA 1.235 55.077 54.000 -0.264 0.000 0.853 264 D CB -0.073 40.634 40.800 -0.156 0.000 0.939 264 D HN 0.545 nan 8.370 nan 0.000 0.481 265 L N -0.451 120.652 121.223 -0.201 0.000 2.189 265 L HA 0.096 4.437 4.340 0.002 0.000 0.199 265 L C 2.476 179.317 176.870 -0.048 0.000 1.074 265 L CA 0.363 55.144 54.840 -0.100 0.000 0.783 265 L CB -0.886 41.150 42.059 -0.037 0.000 0.955 265 L HN 0.286 nan 8.230 nan 0.000 0.460 266 W N 0.472 121.731 121.300 -0.069 0.000 2.465 266 W HA -0.089 4.573 4.660 0.002 0.000 0.268 266 W C 1.530 177.994 176.519 -0.091 0.000 1.242 266 W CA 0.283 57.580 57.345 -0.081 0.000 1.248 266 W CB -0.633 28.774 29.460 -0.089 0.000 1.118 266 W HN 0.135 nan 8.180 nan 0.000 0.587 267 L N 1.691 122.731 121.223 -0.305 0.000 2.362 267 L HA 0.058 4.400 4.340 0.002 0.000 0.219 267 L C 2.340 179.182 176.870 -0.047 0.000 1.134 267 L CA 1.372 56.050 54.840 -0.270 0.000 0.807 267 L CB -0.800 40.955 42.059 -0.507 0.000 0.927 267 L HN 0.119 nan 8.230 nan 0.000 0.447 268 G N -0.973 107.807 108.800 -0.034 0.000 3.609 268 G HA2 -0.028 3.933 3.960 0.002 0.000 0.280 268 G HA3 -0.028 3.933 3.960 0.002 0.000 0.280 268 G C 0.031 174.939 174.900 0.013 0.000 1.155 268 G CA -0.277 44.821 45.100 -0.004 0.000 0.876 268 G HN 0.091 nan 8.290 nan 0.000 0.535 269 N N 0.762 119.497 118.700 0.059 0.000 2.424 269 N HA 0.387 5.128 4.740 0.002 0.000 0.271 269 N C 1.364 176.920 175.510 0.076 0.000 0.985 269 N CA 0.099 53.184 53.050 0.059 0.000 0.921 269 N CB 1.886 40.417 38.487 0.073 0.000 1.149 269 N HN -0.037 nan 8.380 nan 0.000 0.492 270 A N 4.928 127.788 122.820 0.067 0.000 1.896 270 A HA -0.245 4.077 4.320 0.002 0.000 0.220 270 A C 1.974 179.602 177.584 0.074 0.000 1.206 270 A CA 1.743 53.825 52.037 0.075 0.000 0.647 270 A CB -0.479 18.561 19.000 0.067 0.000 0.828 270 A HN 0.855 nan 8.150 nan 0.000 0.455 271 K N -0.721 119.712 120.400 0.056 0.000 2.127 271 K HA -0.255 4.066 4.320 0.002 0.000 0.212 271 K C 2.231 178.850 176.600 0.032 0.000 1.050 271 K CA 1.631 57.940 56.287 0.036 0.000 0.929 271 K CB -0.384 32.125 32.500 0.014 0.000 0.715 271 K HN 0.551 nan 8.250 nan 0.000 0.457 272 A N 0.607 123.459 122.820 0.053 0.000 1.832 272 A HA -0.148 4.173 4.320 0.002 0.000 0.214 272 A C 2.221 179.859 177.584 0.090 0.000 1.204 272 A CA 2.158 54.233 52.037 0.064 0.000 0.606 272 A CB -1.245 17.882 19.000 0.212 0.000 0.849 272 A HN 0.495 nan 8.150 nan 0.000 0.445 273 T N -2.861 111.767 114.554 0.122 0.000 3.077 273 T HA -0.043 4.308 4.350 0.002 0.000 0.269 273 T C 1.738 176.550 174.700 0.187 0.000 1.146 273 T CA 1.670 63.880 62.100 0.184 0.000 1.091 273 T CB -0.273 68.723 68.868 0.214 0.000 0.892 273 T HN 0.203 nan 8.240 nan 0.000 0.533 274 S N 0.746 116.525 115.700 0.132 0.000 2.406 274 S HA 0.080 4.551 4.470 0.002 0.000 0.224 274 S C 1.979 176.663 174.600 0.138 0.000 1.030 274 S CA 0.602 58.874 58.200 0.120 0.000 0.958 274 S CB -0.141 63.109 63.200 0.084 0.000 0.811 274 S HN 0.708 nan 8.310 nan 0.000 0.489 275 E N 0.823 121.102 120.200 0.131 0.000 2.072 275 E HA -0.016 4.335 4.350 0.002 0.000 0.190 275 E C 1.780 178.588 176.600 0.347 0.000 0.982 275 E CA 0.741 57.254 56.400 0.188 0.000 0.803 275 E CB -0.041 29.685 29.700 0.043 0.000 0.755 275 E HN 0.388 nan 8.360 nan 0.000 0.453 276 L N 0.511 121.900 121.223 0.277 0.000 2.201 276 L HA -0.143 4.198 4.340 0.002 0.000 0.212 276 L C 2.438 179.540 176.870 0.386 0.000 1.105 276 L CA 0.776 55.848 54.840 0.386 0.000 0.775 276 L CB -0.230 41.983 42.059 0.257 0.000 0.913 276 L HN 0.176 nan 8.230 nan 0.000 0.440 277 Q N -0.191 119.783 119.800 0.289 0.000 2.368 277 Q HA -0.260 4.081 4.340 0.002 0.000 0.210 277 Q C 1.960 178.020 176.000 0.100 0.000 0.982 277 Q CA 1.306 57.223 55.803 0.190 0.000 0.884 277 Q CB 0.022 28.848 28.738 0.146 0.000 0.933 277 Q HN 0.594 nan 8.270 nan 0.000 0.460 278 Q N -0.598 119.252 119.800 0.083 0.000 2.398 278 Q HA 0.166 4.507 4.340 0.002 0.000 0.204 278 Q C 0.181 175.985 176.000 -0.327 0.000 0.932 278 Q CA 0.130 55.876 55.803 -0.095 0.000 0.916 278 Q CB 0.390 29.075 28.738 -0.089 0.000 1.024 278 Q HN 0.214 nan 8.270 nan 0.000 0.504 279 A N 1.067 123.716 122.820 -0.286 0.000 2.567 279 A HA -0.092 4.230 4.320 0.002 0.000 0.240 279 A C 0.405 177.849 177.584 -0.233 0.000 1.053 279 A CA 0.263 52.082 52.037 -0.364 0.000 0.755 279 A CB 0.294 19.296 19.000 0.004 0.000 0.978 279 A HN 0.331 nan 8.150 nan 0.000 0.507 280 Q N 1.442 121.075 119.800 -0.279 0.000 2.350 280 Q HA 0.439 4.780 4.340 0.002 0.000 0.225 280 Q C 0.140 176.076 176.000 -0.106 0.000 0.878 280 Q CA 0.416 56.149 55.803 -0.116 0.000 0.935 280 Q CB 0.863 29.583 28.738 -0.031 0.000 1.099 280 Q HN 0.762 nan 8.270 nan 0.000 0.527 281 I N 0.741 121.156 120.570 -0.258 0.000 2.619 281 I HA 0.382 4.554 4.170 0.002 0.000 0.292 281 I C -1.594 174.234 176.117 -0.482 0.000 1.100 281 I CA -1.214 59.841 61.300 -0.408 0.000 1.043 281 I CB 2.066 39.797 38.000 -0.447 0.000 1.239 281 I HN -0.253 nan 8.210 nan 0.000 0.420 282 V N 7.437 127.039 119.914 -0.520 0.000 2.448 282 V HA 0.417 4.538 4.120 0.002 0.000 0.295 282 V C -0.467 175.288 176.094 -0.564 0.000 1.025 282 V CA -0.605 61.398 62.300 -0.495 0.000 0.859 282 V CB 1.867 33.364 31.823 -0.543 0.000 0.988 282 V HN 0.422 nan 8.190 nan 0.000 0.431 283 V N 5.435 125.195 119.914 -0.256 0.000 2.326 283 V HA 0.411 4.532 4.120 0.002 0.000 0.281 283 V C -0.060 176.011 176.094 -0.038 0.000 1.015 283 V CA -0.497 61.734 62.300 -0.116 0.000 0.823 283 V CB 1.387 33.306 31.823 0.160 0.000 1.009 283 V HN 0.992 nan 8.190 nan 0.000 0.436 284 Q N 5.332 125.056 119.800 -0.127 0.000 2.271 284 Q HA 0.738 5.079 4.340 0.002 0.000 0.258 284 Q C -1.774 174.185 176.000 -0.069 0.000 0.936 284 Q CA -0.609 55.179 55.803 -0.025 0.000 0.909 284 Q CB 1.687 30.466 28.738 0.069 0.000 1.253 284 Q HN 0.640 nan 8.270 nan 0.000 0.440 285 L N 4.012 125.201 121.223 -0.056 0.000 2.356 285 L HA 0.805 5.146 4.340 0.002 0.000 0.277 285 L C 0.326 177.153 176.870 -0.072 0.000 0.996 285 L CA 0.321 55.082 54.840 -0.131 0.000 0.822 285 L CB 1.880 43.831 42.059 -0.180 0.000 1.256 285 L HN 0.992 nan 8.230 nan 0.000 0.413 286 G N 2.492 111.242 108.800 -0.084 0.000 2.725 286 G HA2 0.108 4.070 3.960 0.002 0.000 0.220 286 G HA3 0.108 4.070 3.960 0.002 0.000 0.220 286 G C -0.431 174.457 174.900 -0.020 0.000 1.357 286 G CA -0.261 44.811 45.100 -0.047 0.000 0.866 286 G HN 0.984 nan 8.290 nan 0.000 0.548 287 S N -2.612 113.082 115.700 -0.010 0.000 2.873 287 S HA 0.792 5.263 4.470 0.002 0.000 0.303 287 S C 0.398 174.998 174.600 0.000 0.000 1.222 287 S CA 0.575 58.778 58.200 0.005 0.000 0.923 287 S CB 1.160 64.363 63.200 0.005 0.000 1.286 287 S HN 2.457 nan 8.310 nan 0.000 0.571 288 S N 0.528 116.228 115.700 0.001 0.000 3.797 288 S HA -0.097 4.374 4.470 0.002 0.000 0.374 288 S C -0.213 174.383 174.600 -0.008 0.000 0.970 288 S CA -0.087 58.110 58.200 -0.006 0.000 1.177 288 S CB -1.657 61.537 63.200 -0.010 0.000 0.891 288 S HN 0.625 nan 8.310 nan 0.000 0.491 289 L N 1.333 122.558 121.223 0.003 0.000 2.559 289 L HA 0.108 4.450 4.340 0.002 0.000 0.282 289 L C 1.787 178.651 176.870 -0.010 0.000 1.232 289 L CA 1.211 56.055 54.840 0.006 0.000 0.885 289 L CB -0.167 41.911 42.059 0.032 0.000 1.131 289 L HN 0.456 nan 8.230 nan 0.000 0.498 290 T N 1.748 116.289 114.554 -0.022 0.000 3.065 290 T HA 0.129 4.480 4.350 0.002 0.000 0.234 290 T C 0.878 175.555 174.700 -0.038 0.000 1.017 290 T CA 0.412 62.491 62.100 -0.035 0.000 1.292 290 T CB -0.428 68.413 68.868 -0.046 0.000 1.005 290 T HN 0.796 nan 8.240 nan 0.000 0.423 291 G N 1.081 109.851 108.800 -0.050 0.000 2.568 291 G HA2 0.019 3.981 3.960 0.002 0.000 0.231 291 G HA3 0.019 3.981 3.960 0.002 0.000 0.231 291 G C 0.675 175.551 174.900 -0.041 0.000 1.261 291 G CA -0.142 44.923 45.100 -0.058 0.000 0.855 291 G HN 0.303 nan 8.290 nan 0.000 0.576 292 K N 0.620 120.996 120.400 -0.040 0.000 2.186 292 K HA -0.010 4.311 4.320 0.002 0.000 0.202 292 K C 2.645 179.237 176.600 -0.015 0.000 1.052 292 K CA 0.370 56.643 56.287 -0.023 0.000 0.965 292 K CB 0.018 32.505 32.500 -0.022 0.000 0.746 292 K HN 0.333 nan 8.250 nan 0.000 0.457 293 R N 0.862 121.339 120.500 -0.039 0.000 2.092 293 R HA -0.080 4.261 4.340 0.002 0.000 0.231 293 R C 2.118 178.422 176.300 0.007 0.000 1.119 293 R CA 0.728 56.807 56.100 -0.035 0.000 0.970 293 R CB -0.626 29.611 30.300 -0.105 0.000 0.864 293 R HN 0.143 nan 8.270 nan 0.000 0.440 294 L N 0.398 121.608 121.223 -0.022 0.000 2.005 294 L HA -0.065 4.276 4.340 0.002 0.000 0.207 294 L C 1.717 178.665 176.870 0.130 0.000 1.072 294 L CA 1.716 56.590 54.840 0.056 0.000 0.744 294 L CB -0.778 41.277 42.059 -0.007 0.000 0.895 294 L HN 0.184 nan 8.230 nan 0.000 0.433 295 L N -0.861 120.396 121.223 0.057 0.000 2.129 295 L HA -0.288 4.053 4.340 0.002 0.000 0.212 295 L C 2.610 179.498 176.870 0.030 0.000 1.087 295 L CA 1.527 56.388 54.840 0.034 0.000 0.757 295 L CB -0.569 41.490 42.059 0.001 0.000 0.896 295 L HN 0.461 nan 8.230 nan 0.000 0.434 296 Q N -1.612 118.222 119.800 0.058 0.000 2.089 296 Q HA -0.193 4.148 4.340 0.002 0.000 0.195 296 Q C 2.009 178.055 176.000 0.077 0.000 0.963 296 Q CA 1.352 57.183 55.803 0.047 0.000 0.834 296 Q CB -0.234 28.535 28.738 0.052 0.000 0.906 296 Q HN 0.525 nan 8.270 nan 0.000 0.452 297 W N 1.908 123.204 121.300 -0.006 0.000 2.318 297 W HA -0.267 4.395 4.660 0.003 0.000 0.313 297 W C 2.190 178.743 176.519 0.057 0.000 1.221 297 W CA 1.785 59.144 57.345 0.022 0.000 1.266 297 W CB -0.290 29.176 29.460 0.010 0.000 1.150 297 W HN 0.129 nan 8.180 nan 0.000 0.496 298 Q N 0.504 120.267 119.800 -0.062 0.000 2.197 298 Q HA -0.210 4.132 4.340 0.002 0.000 0.207 298 Q C 2.066 177.948 176.000 -0.197 0.000 0.984 298 Q CA 2.225 57.916 55.803 -0.188 0.000 0.869 298 Q CB -0.635 28.127 28.738 0.040 0.000 0.906 298 Q HN 0.437 nan 8.270 nan 0.000 0.426 299 A N -0.090 122.630 122.820 -0.168 0.000 1.935 299 A HA -0.066 4.255 4.320 0.002 0.000 0.214 299 A C 2.143 179.623 177.584 -0.174 0.000 1.178 299 A CA 1.524 53.446 52.037 -0.191 0.000 0.640 299 A CB -0.335 18.584 19.000 -0.135 0.000 0.825 299 A HN 0.507 nan 8.150 nan 0.000 0.447 300 S N -0.795 114.810 115.700 -0.158 0.000 2.503 300 S HA 0.002 4.473 4.470 0.002 0.000 0.217 300 S C 1.058 175.571 174.600 -0.146 0.000 0.999 300 S CA 0.273 58.405 58.200 -0.112 0.000 0.914 300 S CB -1.630 61.535 63.200 -0.059 0.000 0.782 300 S HN 0.984 nan 8.310 nan 0.000 0.520 301 C N 1.624 120.706 119.300 -0.362 0.000 2.676 301 C HA 0.574 5.035 4.460 0.002 0.000 0.416 301 C C 0.251 175.146 174.990 -0.158 0.000 1.299 301 C CA -0.574 58.178 59.018 -0.444 0.000 2.048 301 C CB -0.412 26.645 27.740 -1.138 0.000 2.713 301 C HN 0.630 nan 8.230 nan 0.000 0.624 302 E N 3.761 123.896 120.200 -0.109 0.000 2.923 302 E HA 0.398 4.749 4.350 0.002 0.000 0.266 302 E C -2.194 174.379 176.600 -0.046 0.000 1.157 302 E CA -1.045 55.333 56.400 -0.036 0.000 0.795 302 E CB 0.873 30.592 29.700 0.032 0.000 1.454 302 E HN 0.797 nan 8.360 nan 0.000 0.386 303 P HA 0.122 nan 4.420 nan 0.000 0.275 303 P C 0.468 177.766 177.300 -0.003 0.000 1.266 303 P CA -0.205 62.858 63.100 -0.062 0.000 0.793 303 P CB 1.223 32.850 31.700 -0.122 0.000 1.074 304 E N -0.398 119.827 120.200 0.041 0.000 2.058 304 E HA -0.136 4.215 4.350 0.002 0.000 0.194 304 E C 0.228 176.885 176.600 0.096 0.000 0.997 304 E CA 1.281 57.755 56.400 0.122 0.000 0.801 304 E CB 0.209 30.067 29.700 0.264 0.000 0.746 304 E HN 0.493 nan 8.360 nan 0.000 0.450 305 E N -1.107 119.081 120.200 -0.020 0.000 2.266 305 E HA 0.232 4.584 4.350 0.002 0.000 0.268 305 E C -1.664 174.920 176.600 -0.026 0.000 0.879 305 E CA -0.603 55.786 56.400 -0.019 0.000 0.762 305 E CB 1.875 31.463 29.700 -0.186 0.000 1.199 305 E HN 0.029 nan 8.360 nan 0.000 0.422 306 Y N 2.202 122.533 120.300 0.052 0.000 2.328 306 Y HA 0.354 4.905 4.550 0.002 0.000 0.336 306 Y C -1.506 174.573 175.900 0.299 0.000 0.960 306 Y CA -0.722 57.393 58.100 0.025 0.000 1.134 306 Y CB 0.871 39.279 38.460 -0.087 0.000 1.166 306 Y HN 0.439 nan 8.280 nan 0.000 0.464 307 W N 7.462 128.551 121.300 -0.351 0.000 2.656 307 W HA 0.601 5.263 4.660 0.003 0.000 0.327 307 W C -1.219 175.188 176.519 -0.187 0.000 1.041 307 W CA -1.747 55.490 57.345 -0.180 0.000 1.229 307 W CB 1.024 30.367 29.460 -0.195 0.000 1.397 307 W HN 0.324 nan 8.180 nan 0.000 0.479 308 I N 3.707 124.354 120.570 0.128 0.000 2.362 308 I HA 0.368 4.539 4.170 0.002 0.000 0.289 308 I C -0.501 175.524 176.117 -0.153 0.000 0.994 308 I CA -1.102 60.208 61.300 0.017 0.000 1.158 308 I CB 1.464 39.524 38.000 0.100 0.000 1.315 308 I HN -0.106 nan 8.210 nan 0.000 0.451 309 V N 5.646 125.380 119.914 -0.300 0.000 2.417 309 V HA 0.528 4.649 4.120 0.002 0.000 0.291 309 V C -0.482 175.442 176.094 -0.284 0.000 1.024 309 V CA -0.203 61.814 62.300 -0.472 0.000 0.861 309 V CB 1.836 33.041 31.823 -1.031 0.000 0.985 309 V HN 0.698 nan 8.190 nan 0.000 0.436 310 D N 2.072 122.357 120.400 -0.191 0.000 2.665 310 D HA 0.245 4.886 4.640 0.002 0.000 0.287 310 D C -0.291 175.985 176.300 -0.039 0.000 1.266 310 D CA -0.398 53.542 54.000 -0.099 0.000 0.830 310 D CB 2.628 43.393 40.800 -0.058 0.000 1.356 310 D HN 0.430 nan 8.370 nan 0.000 0.437 311 D N 0.351 120.750 120.400 -0.001 0.000 2.339 311 D HA 0.172 4.813 4.640 0.002 0.000 0.217 311 D C 0.308 176.681 176.300 0.123 0.000 1.050 311 D CA -0.038 54.000 54.000 0.062 0.000 0.856 311 D CB 0.236 41.043 40.800 0.012 0.000 0.922 311 D HN 0.351 nan 8.370 nan 0.000 0.518 312 I N 0.360 120.975 120.570 0.075 0.000 2.750 312 I HA 0.254 4.425 4.170 0.002 0.000 0.308 312 I C -0.123 176.051 176.117 0.096 0.000 1.016 312 I CA -0.741 60.625 61.300 0.109 0.000 1.098 312 I CB 1.746 39.768 38.000 0.037 0.000 1.279 312 I HN -0.249 nan 8.210 nan 0.000 0.454 313 E N 3.236 123.501 120.200 0.107 0.000 2.376 313 E HA 0.598 4.950 4.350 0.002 0.000 0.254 313 E C -0.100 176.518 176.600 0.030 0.000 1.213 313 E CA 0.135 56.562 56.400 0.045 0.000 0.945 313 E CB 0.552 30.269 29.700 0.029 0.000 1.057 313 E HN 0.981 nan 8.360 nan 0.000 0.479 314 G N 0.175 108.984 108.800 0.016 0.000 2.699 314 G HA2 -0.206 3.755 3.960 0.002 0.000 0.686 314 G HA3 -0.206 3.755 3.960 0.002 0.000 0.686 314 G C -0.892 174.018 174.900 0.017 0.000 1.301 314 G CA -0.930 44.180 45.100 0.017 0.000 0.816 314 G HN 0.385 nan 8.290 nan 0.000 0.595 315 R N -0.546 119.968 120.500 0.023 0.000 2.543 315 R HA 0.424 4.765 4.340 0.002 0.000 0.277 315 R C 0.868 177.181 176.300 0.022 0.000 1.074 315 R CA 0.017 56.135 56.100 0.030 0.000 1.076 315 R CB 0.447 30.779 30.300 0.055 0.000 0.993 315 R HN 0.433 nan 8.270 nan 0.000 0.459 316 L N 1.196 122.427 121.223 0.014 0.000 3.135 316 L HA 0.151 4.492 4.340 0.002 0.000 0.279 316 L C -0.232 176.627 176.870 -0.020 0.000 1.200 316 L CA -0.063 54.780 54.840 0.004 0.000 1.016 316 L CB 0.575 42.641 42.059 0.012 0.000 1.391 316 L HN 0.549 nan 8.230 nan 0.000 0.588 317 D N 1.753 122.117 120.400 -0.060 0.000 2.454 317 D HA 0.211 4.852 4.640 0.002 0.000 0.225 317 D C -1.706 174.393 176.300 -0.336 0.000 1.081 317 D CA -2.088 51.806 54.000 -0.177 0.000 0.864 317 D CB 1.520 42.194 40.800 -0.210 0.000 1.040 317 D HN -0.106 nan 8.370 nan 0.000 0.517 318 P HA 0.084 nan 4.420 nan 0.000 0.259 318 P C 0.283 177.170 177.300 -0.689 0.000 1.307 318 P CA 0.261 63.139 63.100 -0.370 0.000 0.768 318 P CB 0.330 31.922 31.700 -0.180 0.000 1.199 319 A N -1.283 121.002 122.820 -0.891 0.000 2.498 319 A HA 0.162 4.483 4.320 0.002 0.000 0.238 319 A C 0.361 177.445 177.584 -0.834 0.000 1.225 319 A CA -0.157 51.380 52.037 -0.833 0.000 0.978 319 A CB -0.505 18.088 19.000 -0.678 0.000 1.142 319 A HN 0.198 nan 8.150 nan 0.000 0.552 320 H N 0.026 118.899 119.070 -0.328 0.000 2.839 320 H HA -0.179 4.378 4.556 0.003 0.000 0.298 320 H C -0.212 175.003 175.328 -0.190 0.000 1.224 320 H CA 1.078 57.001 56.048 -0.208 0.000 1.144 320 H CB -2.721 26.955 29.762 -0.144 0.000 1.372 320 H HN 0.813 nan 8.280 nan 0.000 0.408 321 H N 0.544 119.537 119.070 -0.129 0.000 2.983 321 H HA 0.121 4.678 4.556 0.002 0.000 0.361 321 H C 1.384 176.723 175.328 0.019 0.000 1.145 321 H CA 0.372 56.370 56.048 -0.084 0.000 1.404 321 H CB 0.732 30.382 29.762 -0.186 0.000 1.356 321 H HN 0.287 nan 8.280 nan 0.000 0.612 322 R N 1.284 121.908 120.500 0.207 0.000 2.298 322 R HA 0.375 4.716 4.340 0.002 0.000 0.310 322 R C -0.061 176.352 176.300 0.188 0.000 1.068 322 R CA 0.515 56.708 56.100 0.154 0.000 0.957 322 R CB 0.133 30.512 30.300 0.131 0.000 1.003 322 R HN 0.853 nan 8.270 nan 0.000 0.454 323 G N 3.161 112.054 108.800 0.156 0.000 2.441 323 G HA2 0.181 4.142 3.960 0.002 0.000 0.225 323 G HA3 0.181 4.142 3.960 0.002 0.000 0.225 323 G C -1.482 173.432 174.900 0.023 0.000 1.200 323 G CA -0.882 44.319 45.100 0.169 0.000 0.947 323 G HN 0.533 nan 8.290 nan 0.000 0.484 324 R N -0.608 119.853 120.500 -0.065 0.000 2.807 324 R HA 0.769 5.110 4.340 0.002 0.000 0.276 324 R C -0.989 175.252 176.300 -0.098 0.000 0.979 324 R CA -0.953 55.011 56.100 -0.227 0.000 0.928 324 R CB 2.288 32.187 30.300 -0.669 0.000 1.191 324 R HN 0.391 nan 8.270 nan 0.000 0.471 325 R N 2.533 122.979 120.500 -0.091 0.000 2.388 325 R HA 0.389 4.730 4.340 0.002 0.000 0.314 325 R C -1.583 174.662 176.300 -0.091 0.000 0.959 325 R CA -0.383 55.682 56.100 -0.057 0.000 0.851 325 R CB 0.611 30.901 30.300 -0.018 0.000 1.168 325 R HN 0.563 nan 8.270 nan 0.000 0.472 326 L N 6.017 127.163 121.223 -0.128 0.000 2.298 326 L HA 0.522 4.863 4.340 0.002 0.000 0.284 326 L C -0.524 176.276 176.870 -0.116 0.000 1.013 326 L CA -1.123 53.639 54.840 -0.131 0.000 0.824 326 L CB 1.524 43.458 42.059 -0.208 0.000 1.221 326 L HN 0.492 nan 8.230 nan 0.000 0.418 327 I N 3.771 124.317 120.570 -0.039 0.000 2.297 327 I HA 0.626 4.797 4.170 0.002 0.000 0.291 327 I C 0.276 176.417 176.117 0.040 0.000 1.033 327 I CA 0.151 61.446 61.300 -0.009 0.000 1.253 327 I CB 1.184 39.172 38.000 -0.020 0.000 1.396 327 I HN 0.659 nan 8.210 nan 0.000 0.476 328 A N 5.295 128.143 122.820 0.046 0.000 2.582 328 A HA 0.400 4.721 4.320 0.002 0.000 0.297 328 A C -0.595 177.038 177.584 0.081 0.000 1.059 328 A CA -0.879 51.225 52.037 0.111 0.000 0.705 328 A CB 1.005 20.158 19.000 0.255 0.000 1.279 328 A HN 0.546 nan 8.150 nan 0.000 0.404 329 N N 1.817 120.575 118.700 0.097 0.000 2.356 329 N HA -0.000 4.741 4.740 0.002 0.000 0.252 329 N C 1.028 176.582 175.510 0.074 0.000 1.241 329 N CA 0.341 53.431 53.050 0.067 0.000 0.861 329 N CB 0.377 38.902 38.487 0.063 0.000 1.075 329 N HN 0.585 nan 8.380 nan 0.000 0.461 330 I N 2.924 123.507 120.570 0.022 0.000 2.202 330 I HA -0.268 3.904 4.170 0.002 0.000 0.242 330 I C 2.260 178.398 176.117 0.035 0.000 1.091 330 I CA 1.305 62.603 61.300 -0.003 0.000 1.368 330 I CB -0.547 37.418 38.000 -0.059 0.000 1.058 330 I HN 0.660 nan 8.210 nan 0.000 0.410 331 A N 0.731 123.562 122.820 0.018 0.000 1.908 331 A HA -0.259 4.062 4.320 0.002 0.000 0.218 331 A C 1.922 179.523 177.584 0.030 0.000 1.181 331 A CA 2.262 54.306 52.037 0.011 0.000 0.627 331 A CB -0.653 18.353 19.000 0.010 0.000 0.818 331 A HN 0.352 nan 8.150 nan 0.000 0.445 332 D N -1.692 118.742 120.400 0.057 0.000 2.097 332 D HA -0.164 4.478 4.640 0.002 0.000 0.195 332 D C 1.547 177.883 176.300 0.059 0.000 0.989 332 D CA 1.107 55.136 54.000 0.050 0.000 0.827 332 D CB -0.447 40.391 40.800 0.063 0.000 0.966 332 D HN 0.720 nan 8.370 nan 0.000 0.456 333 W N 1.391 122.655 121.300 -0.060 0.000 2.342 333 W HA -0.122 4.539 4.660 0.002 0.000 0.297 333 W C 1.963 178.425 176.519 -0.095 0.000 1.213 333 W CA 1.103 58.427 57.345 -0.035 0.000 1.251 333 W CB -0.184 29.244 29.460 -0.053 0.000 1.136 333 W HN -0.058 nan 8.180 nan 0.000 0.526 334 L N -0.093 121.151 121.223 0.036 0.000 2.079 334 L HA -0.230 4.111 4.340 0.002 0.000 0.210 334 L C 2.236 179.035 176.870 -0.118 0.000 1.081 334 L CA 1.722 56.419 54.840 -0.238 0.000 0.752 334 L CB -0.961 40.933 42.059 -0.275 0.000 0.896 334 L HN 0.030 nan 8.230 nan 0.000 0.433 335 E N -0.309 119.846 120.200 -0.074 0.000 2.158 335 E HA -0.178 4.173 4.350 0.002 0.000 0.191 335 E C 2.069 178.603 176.600 -0.111 0.000 0.982 335 E CA 0.458 56.835 56.400 -0.038 0.000 0.823 335 E CB 0.077 29.764 29.700 -0.020 0.000 0.766 335 E HN 0.183 nan 8.360 nan 0.000 0.468 336 L N 0.525 121.592 121.223 -0.260 0.000 2.056 336 L HA -0.097 4.245 4.340 0.002 0.000 0.207 336 L C 0.279 176.719 176.870 -0.717 0.000 1.078 336 L CA 1.871 56.412 54.840 -0.498 0.000 0.749 336 L CB -0.274 41.393 42.059 -0.652 0.000 0.901 336 L HN 0.108 nan 8.230 nan 0.000 0.433 337 H N -0.200 118.556 119.070 -0.522 0.000 2.439 337 H HA 0.352 4.909 4.556 0.002 0.000 0.239 337 H C -2.260 173.165 175.328 0.162 0.000 1.432 337 H CA -2.495 53.255 56.048 -0.498 0.000 1.373 337 H CB -0.226 28.541 29.762 -1.659 0.000 1.463 337 H HN 0.166 nan 8.280 nan 0.000 0.530 338 P HA 0.112 nan 4.420 nan 0.000 0.274 338 P C -0.217 177.487 177.300 0.674 0.000 1.264 338 P CA -0.400 63.040 63.100 0.567 0.000 0.795 338 P CB 0.900 32.797 31.700 0.329 0.000 1.064 339 A N 0.216 123.231 122.820 0.325 0.000 2.304 339 A HA 0.463 4.784 4.320 0.002 0.000 0.323 339 A C -0.261 177.247 177.584 -0.128 0.000 1.195 339 A CA -0.295 51.690 52.037 -0.086 0.000 0.826 339 A CB 0.269 19.032 19.000 -0.394 0.000 1.184 339 A HN 0.432 nan 8.150 nan 0.000 0.496 340 E N 1.738 121.783 120.200 -0.258 0.000 2.133 340 E HA 0.387 4.738 4.350 0.002 0.000 0.274 340 E C -0.652 175.784 176.600 -0.273 0.000 0.930 340 E CA -0.426 55.817 56.400 -0.262 0.000 0.770 340 E CB 0.673 30.167 29.700 -0.343 0.000 1.104 340 E HN 0.478 nan 8.360 nan 0.000 0.403 341 K N 3.010 123.291 120.400 -0.199 0.000 2.504 341 K HA -0.006 4.315 4.320 0.002 0.000 0.278 341 K C -0.029 176.472 176.600 -0.165 0.000 1.025 341 K CA 0.771 56.956 56.287 -0.169 0.000 1.093 341 K CB 0.393 32.822 32.500 -0.117 0.000 0.873 341 K HN 0.387 nan 8.250 nan 0.000 0.483 342 R N 2.222 122.630 120.500 -0.154 0.000 2.707 342 R HA 0.121 4.462 4.340 0.002 0.000 0.272 342 R C -1.230 175.040 176.300 -0.050 0.000 1.011 342 R CA -0.924 55.115 56.100 -0.103 0.000 0.893 342 R CB 1.235 31.466 30.300 -0.115 0.000 1.233 342 R HN 0.380 nan 8.270 nan 0.000 0.464 343 Q N 3.391 123.182 119.800 -0.015 0.000 2.269 343 Q HA 0.111 4.452 4.340 0.002 0.000 0.300 343 Q C -2.118 173.921 176.000 0.064 0.000 1.070 343 Q CA -0.842 54.967 55.803 0.011 0.000 0.957 343 Q CB 0.596 29.345 28.738 0.018 0.000 1.131 343 Q HN 0.285 nan 8.270 nan 0.000 0.377 344 P HA -0.081 nan 4.420 nan 0.000 0.267 344 P C 0.262 177.587 177.300 0.042 0.000 1.209 344 P CA 0.195 63.304 63.100 0.017 0.000 0.763 344 P CB 0.157 31.813 31.700 -0.073 0.000 0.816 345 W N 2.315 123.635 121.300 0.033 0.000 2.863 345 W HA 0.103 4.764 4.660 0.002 0.000 0.258 345 W C -0.762 175.742 176.519 -0.025 0.000 1.298 345 W CA -0.253 57.095 57.345 0.005 0.000 1.451 345 W CB -1.169 28.300 29.460 0.015 0.000 1.107 345 W HN 0.022 nan 8.180 nan 0.000 0.641 346 C N 2.729 121.659 119.300 -0.617 0.000 2.527 346 C HA 0.291 4.752 4.460 0.002 0.000 0.396 346 C C 1.839 176.660 174.990 -0.281 0.000 1.289 346 C CA -0.363 58.321 59.018 -0.557 0.000 2.047 346 C CB 1.257 28.508 27.740 -0.816 0.000 2.568 346 C HN 0.191 nan 8.230 nan 0.000 0.573 347 V N 1.957 121.755 119.914 -0.194 0.000 3.090 347 V HA 0.048 4.169 4.120 0.002 0.000 0.237 347 V C 1.911 177.905 176.094 -0.167 0.000 1.209 347 V CA 0.593 62.805 62.300 -0.147 0.000 1.209 347 V CB -0.650 31.126 31.823 -0.078 0.000 0.971 347 V HN 0.845 nan 8.190 nan 0.000 0.477 348 E N 0.497 120.598 120.200 -0.164 0.000 2.112 348 E HA -0.003 4.349 4.350 0.002 0.000 0.190 348 E C 2.165 178.612 176.600 -0.254 0.000 0.979 348 E CA 1.019 57.320 56.400 -0.164 0.000 0.814 348 E CB -0.010 29.625 29.700 -0.109 0.000 0.762 348 E HN 0.502 nan 8.360 nan 0.000 0.460 349 I N 1.301 121.658 120.570 -0.355 0.000 2.151 349 I HA -0.239 3.933 4.170 0.002 0.000 0.243 349 I C -0.882 174.858 176.117 -0.628 0.000 1.080 349 I CA 1.249 62.195 61.300 -0.590 0.000 1.339 349 I CB -0.863 36.694 38.000 -0.739 0.000 1.039 349 I HN 0.094 nan 8.210 nan 0.000 0.409 350 P HA -0.166 nan 4.420 nan 0.000 0.217 350 P C 1.549 178.680 177.300 -0.282 0.000 1.150 350 P CA 1.374 64.257 63.100 -0.362 0.000 0.832 350 P CB -0.095 31.446 31.700 -0.265 0.000 0.787 351 R N -0.230 120.129 120.500 -0.235 0.000 2.083 351 R HA -0.109 4.232 4.340 0.002 0.000 0.237 351 R C 2.253 178.441 176.300 -0.187 0.000 1.137 351 R CA 1.370 57.366 56.100 -0.173 0.000 0.951 351 R CB -0.987 29.233 30.300 -0.133 0.000 0.851 351 R HN 0.143 nan 8.270 nan 0.000 0.434 352 L N -0.002 121.071 121.223 -0.250 0.000 2.012 352 L HA -0.209 4.132 4.340 0.002 0.000 0.210 352 L C 2.689 179.439 176.870 -0.200 0.000 1.073 352 L CA 1.483 56.196 54.840 -0.212 0.000 0.748 352 L CB -0.639 41.266 42.059 -0.257 0.000 0.891 352 L HN 0.346 nan 8.230 nan 0.000 0.431 353 A N -0.384 122.188 122.820 -0.412 0.000 1.940 353 A HA -0.277 4.045 4.320 0.002 0.000 0.219 353 A C 2.250 179.796 177.584 -0.063 0.000 1.176 353 A CA 1.999 53.907 52.037 -0.215 0.000 0.631 353 A CB -0.521 18.272 19.000 -0.345 0.000 0.814 353 A HN 0.506 nan 8.150 nan 0.000 0.446 354 E N -0.514 119.624 120.200 -0.105 0.000 2.031 354 E HA -0.257 4.094 4.350 0.002 0.000 0.193 354 E C 2.191 178.770 176.600 -0.034 0.000 0.994 354 E CA 1.463 57.827 56.400 -0.061 0.000 0.800 354 E CB -0.151 29.504 29.700 -0.075 0.000 0.752 354 E HN 0.742 nan 8.360 nan 0.000 0.447 355 Q N 0.056 119.832 119.800 -0.040 0.000 2.124 355 Q HA -0.139 4.202 4.340 0.002 0.000 0.202 355 Q C 2.027 178.027 176.000 0.000 0.000 0.977 355 Q CA 1.381 57.171 55.803 -0.021 0.000 0.850 355 Q CB -0.154 28.570 28.738 -0.022 0.000 0.901 355 Q HN 0.348 nan 8.270 nan 0.000 0.429 356 A N 0.907 123.741 122.820 0.024 0.000 1.842 356 A HA -0.296 4.025 4.320 0.002 0.000 0.217 356 A C 2.074 179.675 177.584 0.029 0.000 1.206 356 A CA 1.942 54.016 52.037 0.060 0.000 0.630 356 A CB -0.803 18.298 19.000 0.167 0.000 0.839 356 A HN 0.418 nan 8.150 nan 0.000 0.447 357 M N -0.321 119.304 119.600 0.041 0.000 2.108 357 M HA -0.269 4.212 4.480 0.002 0.000 0.257 357 M C 2.112 178.406 176.300 -0.011 0.000 1.071 357 M CA 2.325 57.641 55.300 0.027 0.000 1.093 357 M CB -0.898 31.732 32.600 0.051 0.000 1.345 357 M HN 0.570 nan 8.290 nan 0.000 0.403 358 Q N -0.832 118.962 119.800 -0.010 0.000 2.077 358 Q HA -0.194 4.147 4.340 0.002 0.000 0.206 358 Q C 2.047 178.023 176.000 -0.040 0.000 0.989 358 Q CA 2.291 58.082 55.803 -0.021 0.000 0.853 358 Q CB -0.439 28.288 28.738 -0.018 0.000 0.907 358 Q HN 0.738 nan 8.270 nan 0.000 0.418 359 A N -0.361 122.437 122.820 -0.037 0.000 2.019 359 A HA -0.120 4.202 4.320 0.002 0.000 0.219 359 A C 2.163 179.691 177.584 -0.092 0.000 1.164 359 A CA 1.294 53.304 52.037 -0.045 0.000 0.644 359 A CB -0.333 18.653 19.000 -0.023 0.000 0.805 359 A HN 0.251 nan 8.150 nan 0.000 0.449 360 V N 0.153 119.980 119.914 -0.145 0.000 2.407 360 V HA -0.188 3.933 4.120 0.002 0.000 0.245 360 V C 2.353 178.158 176.094 -0.482 0.000 1.041 360 V CA 1.581 63.698 62.300 -0.306 0.000 1.040 360 V CB -0.691 30.917 31.823 -0.358 0.000 0.671 360 V HN 0.559 nan 8.190 nan 0.000 0.455 361 I N 0.965 121.334 120.570 -0.335 0.000 2.226 361 I HA -0.246 3.925 4.170 0.002 0.000 0.245 361 I C 2.807 178.867 176.117 -0.094 0.000 1.100 361 I CA 1.442 62.649 61.300 -0.154 0.000 1.374 361 I CB -0.777 37.233 38.000 0.016 0.000 1.057 361 I HN 0.299 nan 8.210 nan 0.000 0.413 362 A N 1.622 124.395 122.820 -0.078 0.000 1.915 362 A HA -0.242 4.079 4.320 0.002 0.000 0.220 362 A C 2.158 179.719 177.584 -0.039 0.000 1.198 362 A CA 1.867 53.877 52.037 -0.045 0.000 0.647 362 A CB -0.691 18.288 19.000 -0.035 0.000 0.825 362 A HN 0.461 nan 8.150 nan 0.000 0.456 363 R N -0.359 120.102 120.500 -0.065 0.000 2.363 363 R HA 0.068 4.410 4.340 0.002 0.000 0.236 363 R C 1.527 177.824 176.300 -0.005 0.000 0.966 363 R CA 0.519 56.602 56.100 -0.028 0.000 1.100 363 R CB -0.234 30.049 30.300 -0.029 0.000 1.125 363 R HN 0.770 nan 8.270 nan 0.000 0.514 364 R N 0.353 120.841 120.500 -0.021 0.000 2.357 364 R HA -0.053 4.288 4.340 0.002 0.000 0.202 364 R C 0.208 176.532 176.300 0.040 0.000 1.047 364 R CA 1.081 57.200 56.100 0.031 0.000 1.034 364 R CB 0.059 30.394 30.300 0.059 0.000 0.875 364 R HN 0.015 nan 8.270 nan 0.000 0.473 365 D N 1.656 122.115 120.400 0.097 0.000 2.201 365 D HA 0.079 4.720 4.640 0.002 0.000 0.209 365 D C 0.469 177.027 176.300 0.430 0.000 0.961 365 D CA 1.015 55.126 54.000 0.186 0.000 0.861 365 D CB -0.216 40.660 40.800 0.127 0.000 0.997 365 D HN 0.368 nan 8.370 nan 0.000 0.486 366 A N 0.910 123.925 122.820 0.325 0.000 2.584 366 A HA -0.105 4.216 4.320 0.002 0.000 0.239 366 A C -0.103 177.791 177.584 0.516 0.000 1.043 366 A CA 0.006 52.244 52.037 0.335 0.000 0.756 366 A CB -0.512 18.611 19.000 0.204 0.000 0.963 366 A HN 0.143 nan 8.150 nan 0.000 0.511 367 F N 3.964 124.021 119.950 0.179 0.000 2.652 367 F HA 0.468 4.996 4.527 0.002 0.000 0.352 367 F C 0.875 176.632 175.800 -0.071 0.000 1.259 367 F CA 0.247 58.173 58.000 -0.123 0.000 1.249 367 F CB -0.470 38.291 39.000 -0.399 0.000 1.628 367 F HN 0.618 nan 8.300 nan 0.000 0.654 368 G N 2.849 111.595 108.800 -0.090 0.000 3.105 368 G HA2 0.244 4.206 3.960 0.002 0.000 0.277 368 G HA3 0.244 4.206 3.960 0.002 0.000 0.277 368 G C 0.339 175.174 174.900 -0.108 0.000 1.375 368 G CA -0.191 44.828 45.100 -0.135 0.000 0.962 368 G HN 0.388 nan 8.290 nan 0.000 0.541 369 E N -0.744 119.417 120.200 -0.066 0.000 2.072 369 E HA 0.036 4.387 4.350 0.002 0.000 0.190 369 E C 2.341 178.968 176.600 0.046 0.000 0.982 369 E CA 1.184 57.568 56.400 -0.027 0.000 0.803 369 E CB -0.268 29.412 29.700 -0.035 0.000 0.755 369 E HN 0.394 nan 8.360 nan 0.000 0.453 370 A N 1.435 124.286 122.820 0.051 0.000 1.884 370 A HA -0.319 4.002 4.320 0.002 0.000 0.219 370 A C 2.203 179.867 177.584 0.132 0.000 1.197 370 A CA 2.300 54.379 52.037 0.071 0.000 0.637 370 A CB -0.674 18.358 19.000 0.053 0.000 0.827 370 A HN 0.283 nan 8.150 nan 0.000 0.450 371 Q N -0.973 118.946 119.800 0.197 0.000 2.046 371 Q HA -0.052 4.289 4.340 0.002 0.000 0.200 371 Q C 2.055 178.263 176.000 0.347 0.000 0.975 371 Q CA 1.320 57.301 55.803 0.297 0.000 0.836 371 Q CB -0.590 28.431 28.738 0.472 0.000 0.896 371 Q HN 0.587 nan 8.270 nan 0.000 0.428 372 L N 0.658 122.138 121.223 0.429 0.000 2.013 372 L HA -0.200 4.141 4.340 0.002 0.000 0.212 372 L C 2.028 179.039 176.870 0.235 0.000 1.073 372 L CA 2.275 57.364 54.840 0.415 0.000 0.753 372 L CB -1.154 41.059 42.059 0.257 0.000 0.890 372 L HN 0.206 nan 8.230 nan 0.000 0.432 373 A N -1.040 121.874 122.820 0.156 0.000 1.884 373 A HA -0.376 3.945 4.320 0.002 0.000 0.219 373 A C 2.350 179.986 177.584 0.086 0.000 1.197 373 A CA 2.238 54.335 52.037 0.100 0.000 0.637 373 A CB -1.262 17.783 19.000 0.076 0.000 0.827 373 A HN 0.797 nan 8.150 nan 0.000 0.450 374 H N -0.595 118.484 119.070 0.015 0.000 2.423 374 H HA 0.037 4.594 4.556 0.002 0.000 0.297 374 H C 1.958 177.241 175.328 -0.075 0.000 1.075 374 H CA 1.561 57.591 56.048 -0.029 0.000 1.342 374 H CB 0.003 29.748 29.762 -0.029 0.000 1.395 374 H HN 0.310 nan 8.280 nan 0.000 0.530 375 R N -0.092 120.274 120.500 -0.222 0.000 2.276 375 R HA -0.015 4.326 4.340 0.002 0.000 0.203 375 R C 1.917 178.030 176.300 -0.312 0.000 1.017 375 R CA 0.558 56.449 56.100 -0.348 0.000 1.010 375 R CB -0.415 29.722 30.300 -0.272 0.000 0.900 375 R HN 0.371 nan 8.270 nan 0.000 0.469 376 I N 1.742 122.232 120.570 -0.133 0.000 2.399 376 I HA -0.321 3.850 4.170 0.002 0.000 0.254 376 I C 2.193 178.203 176.117 -0.178 0.000 1.146 376 I CA 1.053 62.327 61.300 -0.043 0.000 1.412 376 I CB -0.285 37.736 38.000 0.034 0.000 1.076 376 I HN 0.232 nan 8.210 nan 0.000 0.432 377 C N -0.560 118.583 119.300 -0.262 0.000 2.422 377 C HA -0.109 4.352 4.460 0.002 0.000 0.279 377 C C 2.053 176.816 174.990 -0.379 0.000 1.305 377 C CA 0.434 59.263 59.018 -0.315 0.000 1.757 377 C CB -1.747 25.822 27.740 -0.285 0.000 1.962 377 C HN 0.470 nan 8.230 nan 0.000 0.499 378 D N -0.033 120.062 120.400 -0.509 0.000 2.392 378 D HA -0.049 4.592 4.640 0.002 0.000 0.228 378 D C 1.035 176.920 176.300 -0.692 0.000 1.003 378 D CA 1.151 54.780 54.000 -0.619 0.000 0.917 378 D CB -0.255 40.100 40.800 -0.740 0.000 0.890 378 D HN 0.672 nan 8.370 nan 0.000 0.532 379 Y N -0.207 119.933 120.300 -0.267 0.000 2.426 379 Y HA 0.271 4.822 4.550 0.002 0.000 0.249 379 Y C 0.902 176.665 175.900 -0.228 0.000 1.103 379 Y CA -0.657 57.197 58.100 -0.410 0.000 1.256 379 Y CB 0.056 38.049 38.460 -0.778 0.000 1.208 379 Y HN -0.178 nan 8.280 nan 0.000 0.519 380 L N 4.903 126.048 121.223 -0.131 0.000 2.513 380 L HA 0.107 4.449 4.340 0.002 0.000 0.272 380 L C -2.018 174.734 176.870 -0.196 0.000 1.187 380 L CA -1.547 53.187 54.840 -0.176 0.000 0.895 380 L CB 0.030 41.724 42.059 -0.609 0.000 1.147 380 L HN -0.095 nan 8.230 nan 0.000 0.483 381 P HA 0.029 nan 4.420 nan 0.000 0.271 381 P C -0.464 176.717 177.300 -0.198 0.000 1.220 381 P CA -0.419 62.314 63.100 -0.612 0.000 0.768 381 P CB 0.841 31.919 31.700 -1.037 0.000 0.848 382 E N 3.399 123.463 120.200 -0.226 0.000 2.465 382 E HA -0.101 4.251 4.350 0.002 0.000 0.260 382 E C 0.286 176.854 176.600 -0.053 0.000 0.980 382 E CA 0.746 57.103 56.400 -0.072 0.000 0.927 382 E CB 0.005 29.650 29.700 -0.092 0.000 0.934 382 E HN 0.225 nan 8.360 nan 0.000 0.459 383 Q N 0.690 120.494 119.800 0.007 0.000 2.374 383 Q HA -0.152 4.190 4.340 0.002 0.000 0.218 383 Q C 0.209 176.154 176.000 -0.092 0.000 0.691 383 Q CA 1.433 57.205 55.803 -0.052 0.000 1.340 383 Q CB -2.207 26.503 28.738 -0.047 0.000 1.498 383 Q HN 0.678 nan 8.270 nan 0.000 0.739 384 G N -0.364 108.393 108.800 -0.073 0.000 2.695 384 G HA2 0.582 4.543 3.960 0.002 0.000 0.213 384 G HA3 0.582 4.543 3.960 0.002 0.000 0.213 384 G C -0.671 174.106 174.900 -0.206 0.000 1.406 384 G CA 0.018 45.090 45.100 -0.047 0.000 1.049 384 G HN 0.053 nan 8.290 nan 0.000 0.573 385 Q N -1.395 118.439 119.800 0.056 0.000 2.281 385 Q HA 0.449 4.791 4.340 0.002 0.000 0.263 385 Q C -2.019 174.183 176.000 0.335 0.000 0.989 385 Q CA -0.684 55.191 55.803 0.120 0.000 0.852 385 Q CB 2.103 30.954 28.738 0.188 0.000 1.337 385 Q HN 0.439 nan 8.270 nan 0.000 0.418 386 L N 4.790 126.232 121.223 0.365 0.000 2.277 386 L HA 0.513 4.854 4.340 0.002 0.000 0.284 386 L C -1.740 175.317 176.870 0.312 0.000 1.028 386 L CA -0.076 54.971 54.840 0.345 0.000 0.835 386 L CB 0.638 42.881 42.059 0.306 0.000 1.215 386 L HN 0.668 nan 8.230 nan 0.000 0.425 387 F N 5.822 125.895 119.950 0.205 0.000 2.406 387 F HA 0.343 4.871 4.527 0.002 0.000 0.358 387 F C 0.003 175.863 175.800 0.100 0.000 1.161 387 F CA -0.344 57.750 58.000 0.157 0.000 1.185 387 F CB 0.943 40.016 39.000 0.122 0.000 1.421 387 F HN 0.321 nan 8.300 nan 0.000 0.576 388 V N 7.345 127.079 119.914 -0.300 0.000 2.470 388 V HA 0.511 4.633 4.120 0.002 0.000 0.276 388 V C 0.745 176.551 176.094 -0.480 0.000 1.040 388 V CA 0.268 62.403 62.300 -0.275 0.000 1.008 388 V CB 0.113 31.825 31.823 -0.185 0.000 0.990 388 V HN 0.774 nan 8.190 nan 0.000 0.477 389 G N 5.689 114.376 108.800 -0.189 0.000 2.553 389 G HA2 0.233 4.194 3.960 0.002 0.000 0.278 389 G HA3 0.233 4.194 3.960 0.002 0.000 0.278 389 G C 0.146 174.974 174.900 -0.120 0.000 1.349 389 G CA -0.660 44.378 45.100 -0.104 0.000 1.037 389 G HN 0.758 nan 8.290 nan 0.000 0.508 390 N N -1.258 117.397 118.700 -0.075 0.000 2.547 390 N HA 0.371 5.112 4.740 0.002 0.000 0.301 390 N C 0.897 176.365 175.510 -0.071 0.000 1.328 390 N CA 0.175 53.178 53.050 -0.077 0.000 0.932 390 N CB 0.681 39.128 38.487 -0.067 0.000 1.104 390 N HN 0.610 nan 8.380 nan 0.000 0.548 391 S N -0.884 114.768 115.700 -0.080 0.000 3.583 391 S HA -0.224 4.247 4.470 0.002 0.000 0.629 391 S C 1.567 176.113 174.600 -0.089 0.000 2.549 391 S CA 0.823 58.961 58.200 -0.103 0.000 3.665 391 S CB -1.350 61.786 63.200 -0.106 0.000 0.265 391 S HN 0.478 nan 8.310 nan 0.000 1.206 392 L N 0.936 122.107 121.223 -0.087 0.000 2.012 392 L HA -0.097 4.244 4.340 0.002 0.000 0.210 392 L C 2.580 179.421 176.870 -0.049 0.000 1.073 392 L CA 1.919 56.719 54.840 -0.066 0.000 0.748 392 L CB -0.683 41.342 42.059 -0.057 0.000 0.891 392 L HN 0.588 nan 8.230 nan 0.000 0.431 393 V N -0.306 119.581 119.914 -0.044 0.000 2.277 393 V HA -0.326 3.795 4.120 0.002 0.000 0.253 393 V C 2.469 178.541 176.094 -0.037 0.000 1.067 393 V CA 2.295 64.576 62.300 -0.031 0.000 1.047 393 V CB -0.090 31.717 31.823 -0.027 0.000 0.649 393 V HN 0.325 nan 8.190 nan 0.000 0.447 394 V N 0.280 120.160 119.914 -0.057 0.000 2.295 394 V HA -0.263 3.858 4.120 0.002 0.000 0.246 394 V C 2.675 178.736 176.094 -0.055 0.000 1.049 394 V CA 2.652 64.912 62.300 -0.067 0.000 1.024 394 V CB -0.602 31.168 31.823 -0.088 0.000 0.648 394 V HN 0.650 nan 8.190 nan 0.000 0.447 395 R N -0.442 120.026 120.500 -0.053 0.000 2.073 395 R HA -0.079 4.262 4.340 0.002 0.000 0.234 395 R C 2.307 178.584 176.300 -0.038 0.000 1.134 395 R CA 1.889 57.960 56.100 -0.049 0.000 0.952 395 R CB -0.548 29.721 30.300 -0.051 0.000 0.850 395 R HN 0.453 nan 8.270 nan 0.000 0.433 396 L N 0.573 121.779 121.223 -0.029 0.000 2.012 396 L HA -0.219 4.122 4.340 0.002 0.000 0.210 396 L C 2.443 179.314 176.870 0.001 0.000 1.073 396 L CA 1.456 56.291 54.840 -0.009 0.000 0.748 396 L CB -0.478 41.582 42.059 0.002 0.000 0.891 396 L HN 0.200 nan 8.230 nan 0.000 0.431 397 I N -0.188 120.378 120.570 -0.006 0.000 2.315 397 I HA -0.266 3.905 4.170 0.002 0.000 0.248 397 I C 2.128 178.234 176.117 -0.017 0.000 1.117 397 I CA 1.482 62.778 61.300 -0.006 0.000 1.404 397 I CB -0.362 37.629 38.000 -0.015 0.000 1.071 397 I HN 0.317 nan 8.210 nan 0.000 0.419 398 D N 0.970 121.350 120.400 -0.032 0.000 2.224 398 D HA -0.092 4.549 4.640 0.002 0.000 0.205 398 D C 2.042 178.312 176.300 -0.050 0.000 0.965 398 D CA 1.175 55.149 54.000 -0.043 0.000 0.852 398 D CB 0.263 41.030 40.800 -0.054 0.000 0.947 398 D HN 0.282 nan 8.370 nan 0.000 0.494 399 A N -0.406 122.388 122.820 -0.042 0.000 1.911 399 A HA 0.191 4.513 4.320 0.002 0.000 0.212 399 A C 1.977 179.550 177.584 -0.018 0.000 1.189 399 A CA 0.525 52.531 52.037 -0.052 0.000 0.639 399 A CB -0.132 18.838 19.000 -0.049 0.000 0.839 399 A HN 0.323 nan 8.150 nan 0.000 0.449 400 L N -1.278 119.954 121.223 0.016 0.000 2.858 400 L HA 0.258 4.599 4.340 0.002 0.000 0.251 400 L C 0.705 177.671 176.870 0.160 0.000 1.149 400 L CA 0.006 54.887 54.840 0.069 0.000 0.955 400 L CB 0.651 42.749 42.059 0.065 0.000 1.289 400 L HN 0.274 nan 8.230 nan 0.000 0.542 401 S N -0.123 115.619 115.700 0.071 0.000 2.638 401 S HA 0.414 4.885 4.470 0.002 0.000 0.302 401 S C -0.899 173.699 174.600 -0.003 0.000 1.096 401 S CA -0.399 57.814 58.200 0.021 0.000 0.953 401 S CB 2.054 65.237 63.200 -0.030 0.000 1.107 401 S HN 0.165 nan 8.310 nan 0.000 0.503 402 Q N 3.182 122.956 119.800 -0.044 0.000 2.401 402 Q HA 0.439 4.780 4.340 0.002 0.000 0.260 402 Q C -1.383 174.574 176.000 -0.072 0.000 1.034 402 Q CA -0.401 55.379 55.803 -0.039 0.000 0.737 402 Q CB 0.759 29.481 28.738 -0.027 0.000 1.227 402 Q HN 0.651 nan 8.270 nan 0.000 0.488 403 L N 4.941 126.129 121.223 -0.058 0.000 2.375 403 L HA 0.478 4.819 4.340 0.002 0.000 0.271 403 L C -2.029 174.808 176.870 -0.056 0.000 1.107 403 L CA -1.960 52.834 54.840 -0.077 0.000 0.806 403 L CB 0.772 42.801 42.059 -0.051 0.000 1.146 403 L HN 0.463 nan 8.230 nan 0.000 0.447 404 P HA 0.098 nan 4.420 nan 0.000 0.272 404 P C -0.916 176.401 177.300 0.029 0.000 1.230 404 P CA -0.406 62.675 63.100 -0.030 0.000 0.788 404 P CB 0.607 32.277 31.700 -0.049 0.000 0.949 405 A N 1.672 124.507 122.820 0.026 0.000 2.401 405 A HA 0.490 4.811 4.320 0.002 0.000 0.259 405 A C 1.393 179.006 177.584 0.048 0.000 1.103 405 A CA 0.413 52.470 52.037 0.032 0.000 0.789 405 A CB -1.178 17.836 19.000 0.024 0.000 1.035 405 A HN 0.847 nan 8.150 nan 0.000 0.491 406 G N 0.164 108.986 108.800 0.036 0.000 2.168 406 G HA2 -0.292 3.669 3.960 0.002 0.000 0.263 406 G HA3 -0.292 3.669 3.960 0.002 0.000 0.263 406 G C 0.043 174.960 174.900 0.029 0.000 0.977 406 G CA 0.874 45.986 45.100 0.019 0.000 0.659 406 G HN 1.299 nan 8.290 nan 0.000 0.533 407 Y N 2.031 122.300 120.300 -0.052 0.000 2.383 407 Y HA 0.525 5.076 4.550 0.002 0.000 0.344 407 Y C -1.968 173.880 175.900 -0.086 0.000 0.986 407 Y CA -2.506 55.560 58.100 -0.057 0.000 1.175 407 Y CB 1.323 39.750 38.460 -0.055 0.000 1.152 407 Y HN 0.030 nan 8.280 nan 0.000 0.511 408 P HA -0.021 nan 4.420 nan 0.000 0.261 408 P C -1.033 176.076 177.300 -0.318 0.000 1.203 408 P CA 0.366 63.251 63.100 -0.359 0.000 0.767 408 P CB 0.353 31.855 31.700 -0.329 0.000 0.785 409 V N 5.937 125.622 119.914 -0.383 0.000 2.427 409 V HA 0.329 4.451 4.120 0.002 0.000 0.286 409 V C -0.249 175.493 176.094 -0.586 0.000 1.034 409 V CA -0.294 61.826 62.300 -0.301 0.000 0.893 409 V CB 0.477 32.212 31.823 -0.146 0.000 0.982 409 V HN 0.375 nan 8.190 nan 0.000 0.452 410 Y N 2.136 122.457 120.300 0.035 0.000 2.485 410 Y HA 0.786 5.337 4.550 0.002 0.000 0.345 410 Y C 0.430 176.159 175.900 -0.285 0.000 0.998 410 Y CA -0.544 57.596 58.100 0.067 0.000 1.059 410 Y CB 2.411 41.064 38.460 0.322 0.000 1.234 410 Y HN 0.788 nan 8.280 nan 0.000 0.461 411 S N 0.349 115.989 115.700 -0.100 0.000 2.627 411 S HA 0.396 4.867 4.470 0.002 0.000 0.268 411 S C -1.836 172.746 174.600 -0.030 0.000 1.130 411 S CA -1.259 56.637 58.200 -0.506 0.000 0.819 411 S CB 1.171 64.157 63.200 -0.357 0.000 1.100 411 S HN 0.449 nan 8.310 nan 0.000 0.465 412 N N 0.881 119.575 118.700 -0.010 0.000 3.044 412 N HA 0.398 5.140 4.740 0.002 0.000 0.254 412 N C -0.114 175.399 175.510 0.005 0.000 1.253 412 N CA -0.482 52.614 53.050 0.077 0.000 0.944 412 N CB 0.508 39.078 38.487 0.138 0.000 1.217 412 N HN 0.366 nan 8.380 nan 0.000 0.498 413 R N -0.196 120.296 120.500 -0.012 0.000 2.432 413 R HA 0.259 4.600 4.340 0.002 0.000 0.260 413 R C 1.513 177.806 176.300 -0.011 0.000 0.935 413 R CA -0.194 55.891 56.100 -0.025 0.000 1.080 413 R CB 0.058 30.332 30.300 -0.042 0.000 1.155 413 R HN 0.383 nan 8.270 nan 0.000 0.531 414 G N 0.865 109.666 108.800 0.002 0.000 2.616 414 G HA2 -0.202 3.759 3.960 0.002 0.000 0.215 414 G HA3 -0.202 3.759 3.960 0.002 0.000 0.215 414 G C 1.254 176.155 174.900 0.001 0.000 1.284 414 G CA 0.947 46.050 45.100 0.005 0.000 0.823 414 G HN 0.340 nan 8.290 nan 0.000 0.569 415 A N -1.575 121.245 122.820 0.000 0.000 2.021 415 A HA 0.436 4.757 4.320 0.002 0.000 0.216 415 A C 1.555 179.133 177.584 -0.010 0.000 1.163 415 A CA 1.486 53.518 52.037 -0.008 0.000 0.676 415 A CB -0.057 18.930 19.000 -0.021 0.000 0.818 415 A HN 0.999 nan 8.150 nan 0.000 0.453 416 S N -1.448 114.246 115.700 -0.010 0.000 3.909 416 S HA -0.112 4.359 4.470 0.002 0.000 0.326 416 S C 0.535 175.117 174.600 -0.030 0.000 1.083 416 S CA 0.214 58.402 58.200 -0.020 0.000 0.939 416 S CB -1.681 61.507 63.200 -0.020 0.000 0.886 416 S HN 1.439 nan 8.310 nan 0.000 0.496 417 G N 0.890 109.668 108.800 -0.037 0.000 2.370 417 G HA2 0.505 4.466 3.960 0.002 0.000 0.272 417 G HA3 0.505 4.466 3.960 0.002 0.000 0.272 417 G C 0.915 175.730 174.900 -0.142 0.000 1.208 417 G CA -0.481 44.568 45.100 -0.085 0.000 0.856 417 G HN 0.813 nan 8.290 nan 0.000 0.500 418 I N 0.169 120.637 120.570 -0.171 0.000 3.550 418 I HA 0.072 4.243 4.170 0.002 0.000 0.295 418 I C 1.114 176.927 176.117 -0.507 0.000 1.291 418 I CA 0.207 61.386 61.300 -0.201 0.000 1.298 418 I CB -0.014 37.956 38.000 -0.050 0.000 1.026 418 I HN 0.377 nan 8.210 nan 0.000 0.491 419 D N 1.740 121.685 120.400 -0.760 0.000 2.213 419 D HA -0.012 4.629 4.640 0.002 0.000 0.205 419 D C 1.530 177.410 176.300 -0.701 0.000 0.961 419 D CA 0.979 54.273 54.000 -1.176 0.000 0.853 419 D CB -0.363 39.899 40.800 -0.896 0.000 0.967 419 D HN 0.369 nan 8.370 nan 0.000 0.496 420 G N 0.136 108.446 108.800 -0.817 0.000 4.828 420 G HA2 0.389 4.350 3.960 0.002 0.000 0.294 420 G HA3 0.389 4.350 3.960 0.002 0.000 0.294 420 G C 0.710 175.303 174.900 -0.511 0.000 1.288 420 G CA -0.383 44.057 45.100 -1.099 0.000 0.987 420 G HN 0.150 nan 8.290 nan 0.000 0.587 421 L N -0.340 120.729 121.223 -0.257 0.000 2.162 421 L HA 0.159 4.501 4.340 0.002 0.000 0.205 421 L C 2.629 179.405 176.870 -0.158 0.000 1.086 421 L CA 0.527 55.330 54.840 -0.061 0.000 0.778 421 L CB -0.187 41.923 42.059 0.085 0.000 0.928 421 L HN 0.256 nan 8.230 nan 0.000 0.446 422 L N -0.337 120.795 121.223 -0.152 0.000 2.027 422 L HA -0.136 4.205 4.340 0.002 0.000 0.206 422 L C 2.905 179.628 176.870 -0.245 0.000 1.074 422 L CA 1.684 56.420 54.840 -0.173 0.000 0.745 422 L CB -0.844 41.142 42.059 -0.122 0.000 0.898 422 L HN 0.377 nan 8.230 nan 0.000 0.433 423 S N -1.082 114.477 115.700 -0.235 0.000 2.356 423 S HA -0.168 4.303 4.470 0.002 0.000 0.223 423 S C 1.954 176.391 174.600 -0.272 0.000 1.032 423 S CA 1.628 59.678 58.200 -0.250 0.000 1.005 423 S CB -0.910 62.185 63.200 -0.176 0.000 0.867 423 S HN 0.328 nan 8.310 nan 0.000 0.449 424 T N 3.237 117.626 114.554 -0.276 0.000 2.580 424 T HA -0.102 4.250 4.350 0.002 0.000 0.265 424 T C 2.268 176.622 174.700 -0.577 0.000 1.063 424 T CA 1.770 63.663 62.100 -0.346 0.000 1.170 424 T CB -1.157 67.541 68.868 -0.285 0.000 0.863 424 T HN 0.622 nan 8.240 nan 0.000 0.418 425 A N 1.796 124.073 122.820 -0.905 0.000 1.909 425 A HA -0.172 4.149 4.320 0.002 0.000 0.221 425 A C 2.667 180.000 177.584 -0.417 0.000 1.223 425 A CA 2.801 54.347 52.037 -0.819 0.000 0.658 425 A CB -1.446 17.192 19.000 -0.602 0.000 0.831 425 A HN 0.606 nan 8.150 nan 0.000 0.462 426 A N -1.073 121.550 122.820 -0.329 0.000 1.908 426 A HA 0.076 4.397 4.320 0.002 0.000 0.218 426 A C 2.472 179.900 177.584 -0.260 0.000 1.181 426 A CA 2.197 54.087 52.037 -0.246 0.000 0.627 426 A CB -1.443 17.414 19.000 -0.238 0.000 0.818 426 A HN 0.969 nan 8.150 nan 0.000 0.445 427 G N -0.878 107.734 108.800 -0.313 0.000 2.422 427 G HA2 -0.029 3.933 3.960 0.002 0.000 0.218 427 G HA3 -0.029 3.933 3.960 0.002 0.000 0.218 427 G C 1.418 176.119 174.900 -0.332 0.000 1.140 427 G CA 1.029 45.923 45.100 -0.344 0.000 0.775 427 G HN 0.326 nan 8.290 nan 0.000 0.545 428 V N 1.300 121.007 119.914 -0.344 0.000 2.469 428 V HA -0.214 3.907 4.120 0.002 0.000 0.251 428 V C 2.791 178.726 176.094 -0.265 0.000 1.064 428 V CA 2.357 64.438 62.300 -0.366 0.000 1.066 428 V CB -0.169 31.423 31.823 -0.385 0.000 0.667 428 V HN 0.678 nan 8.190 nan 0.000 0.461 429 Q N 0.067 119.755 119.800 -0.187 0.000 2.339 429 Q HA 0.011 4.352 4.340 0.002 0.000 0.205 429 Q C 2.065 178.016 176.000 -0.081 0.000 0.925 429 Q CA 1.043 56.789 55.803 -0.094 0.000 0.898 429 Q CB -0.374 28.346 28.738 -0.030 0.000 1.013 429 Q HN 0.428 nan 8.270 nan 0.000 0.504 430 R N 0.137 120.564 120.500 -0.120 0.000 2.148 430 R HA 0.110 4.451 4.340 0.002 0.000 0.227 430 R C 2.072 178.323 176.300 -0.082 0.000 1.103 430 R CA 1.160 57.213 56.100 -0.078 0.000 0.983 430 R CB -0.244 29.992 30.300 -0.107 0.000 0.874 430 R HN 0.443 nan 8.270 nan 0.000 0.451 431 A N 0.523 123.240 122.820 -0.171 0.000 1.855 431 A HA -0.130 4.191 4.320 0.002 0.000 0.213 431 A C 2.147 179.703 177.584 -0.047 0.000 1.195 431 A CA 1.652 53.599 52.037 -0.151 0.000 0.610 431 A CB -0.444 18.415 19.000 -0.234 0.000 0.837 431 A HN 0.392 nan 8.150 nan 0.000 0.444 432 S N -1.763 113.895 115.700 -0.071 0.000 2.414 432 S HA 0.303 4.774 4.470 0.002 0.000 0.227 432 S C 1.682 176.283 174.600 0.001 0.000 1.022 432 S CA 1.354 59.538 58.200 -0.027 0.000 0.958 432 S CB -0.550 62.632 63.200 -0.031 0.000 0.797 432 S HN 1.968 nan 8.310 nan 0.000 0.493 433 G N 1.280 110.081 108.800 0.002 0.000 2.168 433 G HA2 -0.283 3.678 3.960 0.002 0.000 0.263 433 G HA3 -0.283 3.678 3.960 0.002 0.000 0.263 433 G C -0.019 174.899 174.900 0.030 0.000 0.977 433 G CA 0.552 45.666 45.100 0.023 0.000 0.659 433 G HN 0.626 nan 8.290 nan 0.000 0.533 434 K N 0.869 121.283 120.400 0.024 0.000 2.185 434 K HA 0.420 4.741 4.320 0.002 0.000 0.271 434 K C -2.353 174.290 176.600 0.071 0.000 1.013 434 K CA -1.936 54.370 56.287 0.031 0.000 0.943 434 K CB 0.855 33.362 32.500 0.013 0.000 0.998 434 K HN -0.017 nan 8.250 nan 0.000 0.468 435 P HA -0.040 nan 4.420 nan 0.000 0.265 435 P C -0.964 176.473 177.300 0.228 0.000 1.187 435 P CA 0.380 63.581 63.100 0.168 0.000 0.766 435 P CB 0.540 32.250 31.700 0.017 0.000 0.820 436 T N 3.344 118.131 114.554 0.388 0.000 2.861 436 T HA 0.479 4.830 4.350 0.002 0.000 0.287 436 T C -0.914 174.088 174.700 0.502 0.000 1.003 436 T CA -0.393 61.921 62.100 0.356 0.000 0.977 436 T CB 0.805 69.800 68.868 0.213 0.000 0.996 436 T HN 0.107 nan 8.240 nan 0.000 0.448 437 L N 3.409 124.920 121.223 0.481 0.000 2.287 437 L HA 0.842 5.184 4.340 0.002 0.000 0.287 437 L C -0.606 176.460 176.870 0.328 0.000 1.022 437 L CA -0.516 54.589 54.840 0.442 0.000 0.814 437 L CB 0.627 42.974 42.059 0.479 0.000 1.217 437 L HN 0.792 nan 8.230 nan 0.000 0.420 438 A N 6.820 129.795 122.820 0.259 0.000 2.330 438 A HA 0.813 5.134 4.320 0.002 0.000 0.313 438 A C -0.926 176.759 177.584 0.168 0.000 1.124 438 A CA -0.508 51.677 52.037 0.248 0.000 0.774 438 A CB 0.651 19.785 19.000 0.222 0.000 1.198 438 A HN 0.652 nan 8.150 nan 0.000 0.465 439 I N 2.153 122.812 120.570 0.148 0.000 2.433 439 I HA 0.712 4.884 4.170 0.002 0.000 0.292 439 I C -0.697 175.451 176.117 0.052 0.000 1.001 439 I CA -1.028 60.320 61.300 0.080 0.000 1.119 439 I CB 1.675 39.717 38.000 0.070 0.000 1.289 439 I HN 0.346 nan 8.210 nan 0.000 0.438 440 V N 3.161 123.078 119.914 0.007 0.000 3.178 440 V HA 0.646 4.767 4.120 0.002 0.000 0.302 440 V C 0.216 176.279 176.094 -0.052 0.000 1.262 440 V CA -0.459 61.835 62.300 -0.011 0.000 1.030 440 V CB 2.539 34.370 31.823 0.013 0.000 1.074 440 V HN 0.931 nan 8.190 nan 0.000 0.438 441 G N 0.993 109.772 108.800 -0.034 0.000 2.572 441 G HA2 0.304 4.266 3.960 0.002 0.000 0.261 441 G HA3 0.304 4.266 3.960 0.002 0.000 0.261 441 G C 0.669 175.552 174.900 -0.029 0.000 1.197 441 G CA 0.432 45.515 45.100 -0.029 0.000 0.870 441 G HN 0.857 nan 8.290 nan 0.000 0.548 442 D N 0.218 120.622 120.400 0.008 0.000 2.117 442 D HA -0.148 4.493 4.640 0.002 0.000 0.198 442 D C 2.353 178.773 176.300 0.200 0.000 0.982 442 D CA 0.628 54.683 54.000 0.091 0.000 0.828 442 D CB -0.138 40.781 40.800 0.198 0.000 0.967 442 D HN 0.346 nan 8.370 nan 0.000 0.464 443 L N 0.895 122.205 121.223 0.145 0.000 2.046 443 L HA -0.142 4.199 4.340 0.002 0.000 0.208 443 L C 2.756 179.742 176.870 0.193 0.000 1.077 443 L CA 1.101 56.040 54.840 0.166 0.000 0.747 443 L CB -0.488 41.660 42.059 0.148 0.000 0.896 443 L HN 0.012 nan 8.230 nan 0.000 0.432 444 S N 0.203 115.982 115.700 0.131 0.000 2.370 444 S HA -0.212 4.259 4.470 0.002 0.000 0.226 444 S C 2.108 176.786 174.600 0.129 0.000 1.033 444 S CA 1.445 59.710 58.200 0.109 0.000 1.011 444 S CB -0.276 62.945 63.200 0.035 0.000 0.852 444 S HN 0.532 nan 8.310 nan 0.000 0.457 445 A N 0.753 123.639 122.820 0.111 0.000 1.970 445 A HA 0.199 4.520 4.320 0.002 0.000 0.216 445 A C 2.075 179.831 177.584 0.286 0.000 1.170 445 A CA 0.637 52.745 52.037 0.119 0.000 0.645 445 A CB -0.474 18.469 19.000 -0.096 0.000 0.816 445 A HN 0.416 nan 8.150 nan 0.000 0.447 446 L N -2.175 119.253 121.223 0.342 0.000 2.056 446 L HA -0.164 4.177 4.340 0.002 0.000 0.207 446 L C 2.480 179.463 176.870 0.189 0.000 1.078 446 L CA 1.401 56.388 54.840 0.246 0.000 0.749 446 L CB -0.634 41.525 42.059 0.166 0.000 0.901 446 L HN 0.470 nan 8.230 nan 0.000 0.433 447 Y N 0.479 120.829 120.300 0.083 0.000 2.114 447 Y HA -0.314 4.237 4.550 0.002 0.000 0.282 447 Y C 1.992 177.914 175.900 0.038 0.000 1.165 447 Y CA 1.898 60.029 58.100 0.050 0.000 1.148 447 Y CB -0.103 38.375 38.460 0.030 0.000 0.972 447 Y HN 0.170 nan 8.280 nan 0.000 0.504 448 D N -0.695 119.862 120.400 0.262 0.000 2.525 448 D HA 0.018 4.659 4.640 0.002 0.000 0.229 448 D C 1.655 178.010 176.300 0.092 0.000 1.202 448 D CA -0.028 54.055 54.000 0.138 0.000 0.828 448 D CB -0.397 40.407 40.800 0.006 0.000 1.008 448 D HN 0.277 nan 8.370 nan 0.000 0.493 449 L N 1.392 122.694 121.223 0.131 0.000 2.089 449 L HA -0.244 4.097 4.340 0.002 0.000 0.213 449 L C 1.698 178.590 176.870 0.035 0.000 1.079 449 L CA 1.939 56.849 54.840 0.117 0.000 0.758 449 L CB -0.579 41.573 42.059 0.154 0.000 0.891 449 L HN 0.216 nan 8.230 nan 0.000 0.433 450 N N -0.503 118.250 118.700 0.088 0.000 2.457 450 N HA -0.060 4.681 4.740 0.002 0.000 0.180 450 N C 1.587 177.070 175.510 -0.046 0.000 1.050 450 N CA 1.098 54.206 53.050 0.098 0.000 0.906 450 N CB -0.663 38.025 38.487 0.334 0.000 0.968 450 N HN 0.292 nan 8.380 nan 0.000 0.445 451 A N 0.691 123.471 122.820 -0.066 0.000 2.178 451 A HA 0.048 4.370 4.320 0.002 0.000 0.218 451 A C 1.987 179.381 177.584 -0.317 0.000 1.157 451 A CA 0.501 52.417 52.037 -0.201 0.000 0.689 451 A CB -0.905 17.985 19.000 -0.184 0.000 0.787 451 A HN 0.382 nan 8.150 nan 0.000 0.465 452 L N -1.213 119.752 121.223 -0.429 0.000 2.450 452 L HA -0.246 4.095 4.340 0.002 0.000 0.225 452 L C 2.774 179.226 176.870 -0.697 0.000 1.145 452 L CA 0.800 55.274 54.840 -0.610 0.000 0.801 452 L CB -0.428 41.137 42.059 -0.824 0.000 0.924 452 L HN 0.475 nan 8.230 nan 0.000 0.447 453 A N -0.459 122.027 122.820 -0.557 0.000 2.021 453 A HA 0.015 4.336 4.320 0.002 0.000 0.216 453 A C 2.106 179.668 177.584 -0.036 0.000 1.163 453 A CA 0.665 52.659 52.037 -0.071 0.000 0.676 453 A CB -0.241 18.966 19.000 0.344 0.000 0.818 453 A HN 0.384 nan 8.150 nan 0.000 0.453 454 L N -0.636 120.458 121.223 -0.215 0.000 2.554 454 L HA 0.121 4.462 4.340 0.002 0.000 0.226 454 L C 1.404 178.186 176.870 -0.146 0.000 1.137 454 L CA 0.288 54.984 54.840 -0.240 0.000 0.863 454 L CB -0.018 41.766 42.059 -0.458 0.000 0.985 454 L HN 0.349 nan 8.230 nan 0.000 0.451 455 L N -1.295 119.855 121.223 -0.121 0.000 2.640 455 L HA 0.099 4.440 4.340 0.002 0.000 0.230 455 L C 1.892 178.755 176.870 -0.012 0.000 1.123 455 L CA -0.002 54.793 54.840 -0.076 0.000 0.900 455 L CB -0.013 41.990 42.059 -0.093 0.000 1.146 455 L HN 0.113 nan 8.230 nan 0.000 0.484 456 R N -0.047 120.467 120.500 0.022 0.000 2.323 456 R HA 0.027 4.368 4.340 0.002 0.000 0.198 456 R C 0.309 176.642 176.300 0.055 0.000 0.988 456 R CA 0.534 56.673 56.100 0.066 0.000 1.041 456 R CB 0.060 30.431 30.300 0.118 0.000 0.926 456 R HN 0.255 nan 8.270 nan 0.000 0.476 457 Q N 1.079 120.901 119.800 0.036 0.000 3.122 457 Q HA 0.183 4.524 4.340 0.002 0.000 0.282 457 Q C -1.079 174.940 176.000 0.031 0.000 0.947 457 Q CA -0.214 55.614 55.803 0.041 0.000 0.812 457 Q CB 1.694 30.463 28.738 0.051 0.000 1.333 457 Q HN 0.065 nan 8.270 nan 0.000 0.430 458 V N -1.520 118.414 119.914 0.033 0.000 2.581 458 V HA 0.508 4.630 4.120 0.002 0.000 0.303 458 V C 1.188 177.311 176.094 0.049 0.000 1.041 458 V CA -0.506 61.813 62.300 0.033 0.000 0.907 458 V CB 1.743 33.584 31.823 0.030 0.000 0.994 458 V HN 0.427 nan 8.190 nan 0.000 0.442 459 S N 2.018 117.747 115.700 0.049 0.000 2.446 459 S HA 0.478 4.949 4.470 0.002 0.000 0.225 459 S C 0.817 175.458 174.600 0.068 0.000 1.016 459 S CA 0.475 58.709 58.200 0.056 0.000 0.943 459 S CB -0.034 63.197 63.200 0.052 0.000 0.786 459 S HN 1.703 nan 8.310 nan 0.000 0.508 460 A N 1.460 124.329 122.820 0.081 0.000 2.479 460 A HA 0.798 5.119 4.320 0.002 0.000 0.296 460 A C -3.175 174.504 177.584 0.157 0.000 1.121 460 A CA -2.381 49.724 52.037 0.113 0.000 0.743 460 A CB 0.512 19.576 19.000 0.108 0.000 1.323 460 A HN 0.092 nan 8.150 nan 0.000 0.415 461 P HA 0.225 nan 4.420 nan 0.000 0.264 461 P C -0.901 176.579 177.300 0.300 0.000 1.183 461 P CA 0.475 63.740 63.100 0.276 0.000 0.763 461 P CB 0.310 32.304 31.700 0.491 0.000 0.807 462 L N 3.949 125.265 121.223 0.155 0.000 2.406 462 L HA 0.452 4.793 4.340 0.002 0.000 0.272 462 L C -1.063 175.812 176.870 0.007 0.000 0.980 462 L CA -0.945 53.977 54.840 0.137 0.000 0.831 462 L CB 1.653 43.761 42.059 0.082 0.000 1.253 462 L HN 0.005 nan 8.230 nan 0.000 0.406 463 V N 5.245 125.142 119.914 -0.028 0.000 2.481 463 V HA 0.412 4.533 4.120 0.002 0.000 0.286 463 V C -0.315 175.769 176.094 -0.016 0.000 1.042 463 V CA -0.569 61.649 62.300 -0.136 0.000 0.928 463 V CB 1.774 33.420 31.823 -0.296 0.000 0.986 463 V HN 0.582 nan 8.190 nan 0.000 0.462 464 L N 6.038 127.227 121.223 -0.056 0.000 2.325 464 L HA 0.597 4.938 4.340 0.002 0.000 0.281 464 L C -0.544 176.287 176.870 -0.066 0.000 1.004 464 L CA 0.091 54.915 54.840 -0.026 0.000 0.823 464 L CB 1.170 43.209 42.059 -0.034 0.000 1.236 464 L HN 0.503 nan 8.230 nan 0.000 0.415 465 I N 6.248 126.801 120.570 -0.029 0.000 2.304 465 I HA 0.270 4.442 4.170 0.002 0.000 0.291 465 I C -0.571 175.491 176.117 -0.092 0.000 1.018 465 I CA -0.766 60.497 61.300 -0.061 0.000 1.260 465 I CB 1.544 39.550 38.000 0.011 0.000 1.390 465 I HN 0.265 nan 8.210 nan 0.000 0.475 466 V N 7.654 127.471 119.914 -0.162 0.000 2.288 466 V HA 0.126 4.247 4.120 0.002 0.000 0.266 466 V C 0.411 176.402 176.094 -0.172 0.000 1.048 466 V CA -0.662 61.488 62.300 -0.250 0.000 0.842 466 V CB 1.127 32.613 31.823 -0.562 0.000 1.064 466 V HN 0.429 nan 8.190 nan 0.000 0.472 467 V N 4.531 124.375 119.914 -0.116 0.000 2.434 467 V HA 0.051 4.172 4.120 0.002 0.000 0.281 467 V C 0.711 176.768 176.094 -0.062 0.000 1.005 467 V CA 0.197 62.447 62.300 -0.085 0.000 1.089 467 V CB 0.149 31.935 31.823 -0.062 0.000 0.978 467 V HN 0.842 nan 8.190 nan 0.000 0.474 468 N N 5.113 123.799 118.700 -0.023 0.000 2.527 468 N HA 0.189 4.930 4.740 0.002 0.000 0.236 468 N C 0.257 175.791 175.510 0.040 0.000 0.999 468 N CA -0.582 52.495 53.050 0.046 0.000 0.935 468 N CB 0.659 39.234 38.487 0.146 0.000 1.132 468 N HN 0.728 nan 8.380 nan 0.000 0.511 469 N N 2.163 120.881 118.700 0.030 0.000 2.389 469 N HA 0.110 4.851 4.740 0.002 0.000 0.260 469 N C -0.445 175.087 175.510 0.037 0.000 1.191 469 N CA -0.533 52.533 53.050 0.027 0.000 0.885 469 N CB -0.378 38.116 38.487 0.012 0.000 1.162 469 N HN 0.298 nan 8.380 nan 0.000 0.512 470 N N 0.693 119.418 118.700 0.041 0.000 2.650 470 N HA -0.131 4.610 4.740 0.002 0.000 0.272 470 N C 0.203 175.740 175.510 0.045 0.000 1.058 470 N CA 1.563 54.631 53.050 0.030 0.000 0.765 470 N CB -1.242 37.254 38.487 0.014 0.000 0.902 470 N HN 0.960 nan 8.380 nan 0.000 0.551 471 G N -0.912 107.925 108.800 0.062 0.000 2.434 471 G HA2 0.304 4.265 3.960 0.002 0.000 0.671 471 G HA3 0.304 4.265 3.960 0.002 0.000 0.671 471 G C 0.222 175.175 174.900 0.089 0.000 1.280 471 G CA 0.037 45.186 45.100 0.081 0.000 0.975 471 G HN 0.994 nan 8.290 nan 0.000 0.510 472 G N -0.341 108.540 108.800 0.134 0.000 3.209 472 G HA2 0.438 4.399 3.960 0.002 0.000 0.274 472 G HA3 0.438 4.399 3.960 0.002 0.000 0.274 472 G C 0.911 175.848 174.900 0.062 0.000 0.850 472 G CA 0.160 45.327 45.100 0.112 0.000 1.907 472 G HN 0.542 nan 8.290 nan 0.000 0.591 473 Q N 0.897 120.708 119.800 0.019 0.000 2.508 473 Q HA -0.114 4.227 4.340 0.002 0.000 0.214 473 Q C 2.208 178.179 176.000 -0.048 0.000 0.979 473 Q CA 0.192 56.004 55.803 0.015 0.000 0.911 473 Q CB -0.067 28.677 28.738 0.011 0.000 0.969 473 Q HN 0.740 nan 8.270 nan 0.000 0.504 474 I N -0.401 120.058 120.570 -0.184 0.000 2.361 474 I HA -0.227 3.944 4.170 0.002 0.000 0.251 474 I C 1.082 177.059 176.117 -0.234 0.000 1.133 474 I CA 1.217 62.350 61.300 -0.278 0.000 1.413 474 I CB -0.132 37.602 38.000 -0.444 0.000 1.073 474 I HN -0.057 nan 8.210 nan 0.000 0.424 475 F N -0.086 119.907 119.950 0.073 0.000 2.811 475 F HA 0.113 4.641 4.527 0.002 0.000 0.301 475 F C 2.451 178.274 175.800 0.038 0.000 1.151 475 F CA 0.473 58.526 58.000 0.088 0.000 1.412 475 F CB -1.072 38.042 39.000 0.189 0.000 1.113 475 F HN -0.017 nan 8.300 nan 0.000 0.579 476 S N 0.004 115.788 115.700 0.141 0.000 2.425 476 S HA -0.046 4.425 4.470 0.002 0.000 0.225 476 S C 1.993 176.621 174.600 0.048 0.000 1.024 476 S CA 0.334 58.582 58.200 0.080 0.000 0.951 476 S CB -0.214 63.019 63.200 0.055 0.000 0.796 476 S HN 0.272 nan 8.310 nan 0.000 0.498 477 L N 1.840 123.081 121.223 0.030 0.000 2.023 477 L HA 0.208 4.549 4.340 0.002 0.000 0.205 477 L C 0.511 177.399 176.870 0.031 0.000 1.073 477 L CA 1.333 56.182 54.840 0.014 0.000 0.745 477 L CB -0.663 41.388 42.059 -0.013 0.000 0.900 477 L HN 0.222 nan 8.230 nan 0.000 0.435 478 L N 1.666 122.928 121.223 0.064 0.000 2.483 478 L HA 0.114 4.455 4.340 0.002 0.000 0.276 478 L C -1.568 175.332 176.870 0.051 0.000 1.213 478 L CA -1.228 53.662 54.840 0.083 0.000 0.843 478 L CB -0.077 42.083 42.059 0.168 0.000 1.107 478 L HN 0.136 nan 8.230 nan 0.000 0.487 479 P HA 0.031 nan 4.420 nan 0.000 0.228 479 P C -0.161 177.110 177.300 -0.048 0.000 1.748 479 P CA -0.330 62.766 63.100 -0.006 0.000 0.909 479 P CB -0.859 30.841 31.700 0.000 0.000 1.882 480 T N -1.011 113.488 114.554 -0.093 0.000 2.918 480 T HA 0.252 4.603 4.350 0.002 0.000 0.302 480 T C -2.151 172.393 174.700 -0.260 0.000 1.045 480 T CA -1.960 59.978 62.100 -0.270 0.000 1.114 480 T CB -0.410 68.167 68.868 -0.485 0.000 0.965 480 T HN 0.069 nan 8.240 nan 0.000 0.540 481 P HA 0.064 nan 4.420 nan 0.000 0.260 481 P C 0.888 178.107 177.300 -0.135 0.000 1.207 481 P CA 0.111 63.111 63.100 -0.167 0.000 0.780 481 P CB 0.502 32.124 31.700 -0.131 0.000 0.789 482 Q N 1.624 121.380 119.800 -0.074 0.000 2.112 482 Q HA -0.190 4.152 4.340 0.002 0.000 0.206 482 Q C 2.044 178.040 176.000 -0.006 0.000 0.987 482 Q CA 2.018 57.798 55.803 -0.039 0.000 0.858 482 Q CB -0.381 28.346 28.738 -0.018 0.000 0.905 482 Q HN 0.486 nan 8.270 nan 0.000 0.420 483 S N 0.455 116.160 115.700 0.008 0.000 2.368 483 S HA -0.133 4.338 4.470 0.002 0.000 0.225 483 S C 1.640 176.298 174.600 0.096 0.000 1.030 483 S CA 1.267 59.492 58.200 0.042 0.000 0.999 483 S CB 0.043 63.265 63.200 0.036 0.000 0.844 483 S HN 0.391 nan 8.310 nan 0.000 0.459 484 E N 0.777 121.051 120.200 0.124 0.000 2.400 484 E HA 0.025 4.376 4.350 0.002 0.000 0.195 484 E C 1.952 178.760 176.600 0.346 0.000 1.012 484 E CA 0.081 56.670 56.400 0.315 0.000 0.875 484 E CB -0.430 29.476 29.700 0.342 0.000 0.859 484 E HN 0.479 nan 8.360 nan 0.000 0.498 485 R N 1.962 122.542 120.500 0.133 0.000 2.190 485 R HA -0.275 4.066 4.340 0.002 0.000 0.255 485 R C 2.147 178.549 176.300 0.171 0.000 1.143 485 R CA 2.321 58.469 56.100 0.081 0.000 0.965 485 R CB -0.213 30.073 30.300 -0.023 0.000 0.889 485 R HN 0.285 nan 8.270 nan 0.000 0.448 486 E N -0.425 119.843 120.200 0.115 0.000 2.007 486 E HA -0.244 4.107 4.350 0.002 0.000 0.194 486 E C 2.133 178.748 176.600 0.026 0.000 0.999 486 E CA 1.719 58.162 56.400 0.071 0.000 0.811 486 E CB -0.128 29.591 29.700 0.033 0.000 0.762 486 E HN 0.550 nan 8.360 nan 0.000 0.450 487 R N -0.701 119.754 120.500 -0.075 0.000 2.148 487 R HA -0.055 4.286 4.340 0.002 0.000 0.223 487 R C 1.578 177.653 176.300 -0.375 0.000 1.088 487 R CA 1.294 57.212 56.100 -0.304 0.000 0.985 487 R CB -0.240 29.745 30.300 -0.524 0.000 0.880 487 R HN 0.157 nan 8.270 nan 0.000 0.451 488 F N -1.178 118.812 119.950 0.068 0.000 2.731 488 F HA 0.319 4.848 4.527 0.002 0.000 0.298 488 F C 0.832 176.506 175.800 -0.210 0.000 1.106 488 F CA -0.060 57.919 58.000 -0.035 0.000 1.329 488 F CB 0.371 39.367 39.000 -0.006 0.000 1.100 488 F HN -0.111 nan 8.300 nan 0.000 0.592 489 Y N -1.531 118.787 120.300 0.030 0.000 3.105 489 Y HA 0.170 4.722 4.550 0.002 0.000 0.216 489 Y C 1.916 177.857 175.900 0.069 0.000 0.943 489 Y CA -0.113 57.904 58.100 -0.138 0.000 1.535 489 Y CB -0.340 38.012 38.460 -0.181 0.000 1.475 489 Y HN -0.300 nan 8.280 nan 0.000 0.435 490 L N 0.037 121.452 121.223 0.321 0.000 2.017 490 L HA -0.176 4.165 4.340 0.002 0.000 0.208 490 L C 0.493 177.479 176.870 0.193 0.000 1.073 490 L CA 1.163 56.175 54.840 0.288 0.000 0.745 490 L CB -0.655 41.518 42.059 0.190 0.000 0.894 490 L HN 0.318 nan 8.230 nan 0.000 0.432 491 M N 0.076 119.741 119.600 0.109 0.000 3.299 491 M HA -0.112 4.369 4.480 0.002 0.000 0.169 491 M C -2.283 174.045 176.300 0.047 0.000 1.347 491 M CA -0.383 54.945 55.300 0.046 0.000 0.856 491 M CB -1.667 30.956 32.600 0.038 0.000 1.266 491 M HN 0.030 nan 8.290 nan 0.000 0.639 492 P HA 0.065 nan 4.420 nan 0.000 0.275 492 P C -0.123 177.173 177.300 -0.007 0.000 1.227 492 P CA 0.229 63.340 63.100 0.019 0.000 0.781 492 P CB 0.731 32.439 31.700 0.013 0.000 0.906 493 Q N 0.799 120.591 119.800 -0.014 0.000 2.217 493 Q HA 0.101 4.442 4.340 0.002 0.000 0.217 493 Q C -0.109 175.852 176.000 -0.066 0.000 0.844 493 Q CA -0.241 55.539 55.803 -0.039 0.000 0.957 493 Q CB -0.223 28.494 28.738 -0.036 0.000 1.127 493 Q HN 0.478 nan 8.270 nan 0.000 0.503 494 N N 0.597 119.256 118.700 -0.069 0.000 2.696 494 N HA -0.162 4.579 4.740 0.002 0.000 0.256 494 N C -0.843 174.576 175.510 -0.151 0.000 1.031 494 N CA 0.524 53.518 53.050 -0.094 0.000 0.730 494 N CB -1.105 37.350 38.487 -0.053 0.000 0.894 494 N HN 0.103 nan 8.380 nan 0.000 0.544 495 V N 0.070 119.835 119.914 -0.248 0.000 3.141 495 V HA 0.579 4.700 4.120 0.002 0.000 0.312 495 V C -0.377 175.398 176.094 -0.533 0.000 1.157 495 V CA -0.658 61.456 62.300 -0.310 0.000 1.041 495 V CB 2.617 34.261 31.823 -0.298 0.000 1.071 495 V HN 0.410 nan 8.190 nan 0.000 0.441 496 H N 1.489 120.473 119.070 -0.144 0.000 2.906 496 H HA 0.465 5.022 4.556 0.002 0.000 0.337 496 H C -0.971 174.200 175.328 -0.263 0.000 1.257 496 H CA -0.277 55.771 56.048 -0.000 0.000 1.192 496 H CB 1.740 31.562 29.762 0.100 0.000 1.912 496 H HN 0.559 nan 8.280 nan 0.000 0.573 497 F N -0.321 119.710 119.950 0.136 0.000 2.661 497 F HA 0.160 4.688 4.527 0.002 0.000 0.306 497 F C 2.028 177.574 175.800 -0.424 0.000 1.094 497 F CA -0.116 57.869 58.000 -0.025 0.000 1.254 497 F CB 0.277 39.330 39.000 0.088 0.000 1.040 497 F HN 0.546 nan 8.300 nan 0.000 0.562 498 E N 0.082 119.916 120.200 -0.610 0.000 2.049 498 E HA -0.230 4.121 4.350 0.002 0.000 0.198 498 E C 1.962 178.193 176.600 -0.615 0.000 1.007 498 E CA 1.737 57.430 56.400 -1.179 0.000 0.809 498 E CB -0.033 29.239 29.700 -0.713 0.000 0.749 498 E HN 0.400 nan 8.360 nan 0.000 0.450 499 H N -0.744 118.170 119.070 -0.260 0.000 2.428 499 H HA -0.003 4.554 4.556 0.002 0.000 0.296 499 H C 1.996 177.268 175.328 -0.093 0.000 1.062 499 H CA 1.107 57.063 56.048 -0.153 0.000 1.350 499 H CB -0.202 29.490 29.762 -0.117 0.000 1.403 499 H HN 0.292 nan 8.280 nan 0.000 0.533 500 A N 1.313 124.165 122.820 0.052 0.000 1.865 500 A HA -0.156 4.165 4.320 0.002 0.000 0.217 500 A C 2.682 180.414 177.584 0.247 0.000 1.191 500 A CA 2.084 54.226 52.037 0.175 0.000 0.623 500 A CB -0.862 18.261 19.000 0.205 0.000 0.826 500 A HN 0.429 nan 8.150 nan 0.000 0.444 501 A N -0.652 122.227 122.820 0.099 0.000 1.968 501 A HA 0.306 4.627 4.320 0.002 0.000 0.217 501 A C 2.393 180.031 177.584 0.089 0.000 1.169 501 A CA 1.644 53.757 52.037 0.126 0.000 0.638 501 A CB -0.793 18.249 19.000 0.069 0.000 0.812 501 A HN 1.060 nan 8.150 nan 0.000 0.446 502 A N -0.441 122.370 122.820 -0.014 0.000 2.015 502 A HA -0.055 4.266 4.320 0.002 0.000 0.219 502 A C 2.161 179.732 177.584 -0.022 0.000 1.163 502 A CA 1.645 53.667 52.037 -0.026 0.000 0.646 502 A CB -0.510 18.447 19.000 -0.072 0.000 0.806 502 A HN 0.667 nan 8.150 nan 0.000 0.448 503 M N -1.811 117.761 119.600 -0.046 0.000 2.156 503 M HA 0.027 4.508 4.480 0.002 0.000 0.264 503 M C 0.708 176.765 176.300 -0.405 0.000 1.067 503 M CA 1.716 56.849 55.300 -0.279 0.000 1.131 503 M CB -0.027 32.304 32.600 -0.448 0.000 1.368 503 M HN 0.285 nan 8.290 nan 0.000 0.416 504 F N 1.177 121.149 119.950 0.035 0.000 2.693 504 F HA 0.257 4.786 4.527 0.002 0.000 0.303 504 F C 0.223 176.044 175.800 0.034 0.000 1.097 504 F CA 0.009 58.037 58.000 0.047 0.000 1.330 504 F CB -0.233 38.805 39.000 0.063 0.000 1.067 504 F HN 0.226 nan 8.300 nan 0.000 0.565 505 E N 1.007 121.276 120.200 0.115 0.000 2.320 505 E HA -0.207 4.144 4.350 0.002 0.000 0.234 505 E C -0.585 176.067 176.600 0.087 0.000 1.183 505 E CA 0.010 56.453 56.400 0.072 0.000 0.713 505 E CB -1.488 28.244 29.700 0.052 0.000 1.226 505 E HN 0.381 nan 8.360 nan 0.000 0.382 506 L N 0.068 121.356 121.223 0.108 0.000 2.379 506 L HA 0.414 4.755 4.340 0.002 0.000 0.269 506 L C 0.823 177.722 176.870 0.048 0.000 1.084 506 L CA -0.849 54.040 54.840 0.082 0.000 0.802 506 L CB 0.794 42.914 42.059 0.101 0.000 1.175 506 L HN -0.066 nan 8.230 nan 0.000 0.448 507 K N 0.929 121.337 120.400 0.014 0.000 2.355 507 K HA 0.218 4.540 4.320 0.002 0.000 0.270 507 K C -1.168 175.406 176.600 -0.044 0.000 1.003 507 K CA 0.340 56.597 56.287 -0.049 0.000 0.957 507 K CB 0.461 32.915 32.500 -0.076 0.000 0.939 507 K HN 0.376 nan 8.250 nan 0.000 0.482 508 Y N 2.612 122.694 120.300 -0.365 0.000 2.479 508 Y HA 0.336 4.887 4.550 0.002 0.000 0.338 508 Y C -1.261 174.262 175.900 -0.628 0.000 1.055 508 Y CA -0.668 57.225 58.100 -0.345 0.000 1.023 508 Y CB 1.268 39.631 38.460 -0.162 0.000 1.287 508 Y HN 0.675 nan 8.280 nan 0.000 0.447 509 H N 4.445 123.085 119.070 -0.716 0.000 2.821 509 H HA 0.490 5.047 4.556 0.002 0.000 0.373 509 H C -1.142 173.627 175.328 -0.931 0.000 1.165 509 H CA -1.211 54.428 56.048 -0.681 0.000 1.154 509 H CB 2.581 32.113 29.762 -0.383 0.000 1.765 509 H HN 0.599 nan 8.280 nan 0.000 0.549 510 R N 2.539 122.764 120.500 -0.459 0.000 2.402 510 R HA 0.243 4.584 4.340 0.002 0.000 0.290 510 R C -2.780 173.446 176.300 -0.123 0.000 1.321 510 R CA -1.658 54.276 56.100 -0.277 0.000 1.283 510 R CB 0.646 30.863 30.300 -0.137 0.000 1.111 510 R HN 0.384 nan 8.270 nan 0.000 0.578 511 P HA 0.118 nan 4.420 nan 0.000 0.282 511 P C -0.355 176.953 177.300 0.014 0.000 1.262 511 P CA -0.218 62.842 63.100 -0.067 0.000 0.773 511 P CB 1.607 33.272 31.700 -0.058 0.000 0.879 512 Q N 1.919 121.605 119.800 -0.189 0.000 2.408 512 Q HA 0.065 4.406 4.340 0.002 0.000 0.205 512 Q C 0.185 175.653 176.000 -0.886 0.000 0.919 512 Q CA 0.734 56.375 55.803 -0.269 0.000 0.932 512 Q CB 0.162 28.787 28.738 -0.189 0.000 1.058 512 Q HN 0.691 nan 8.270 nan 0.000 0.517 513 N N -2.963 114.919 118.700 -1.362 0.000 3.308 513 N HA 0.046 4.788 4.740 0.002 0.000 0.276 513 N C -0.527 174.254 175.510 -1.214 0.000 1.533 513 N CA -0.759 51.178 53.050 -1.854 0.000 0.878 513 N CB -0.539 37.499 38.487 -0.749 0.000 1.566 513 N HN -0.121 nan 8.380 nan 0.000 0.546 514 W N -0.325 120.733 121.300 -0.404 0.000 2.363 514 W HA 0.024 4.685 4.660 0.002 0.000 0.296 514 W C 1.953 178.487 176.519 0.025 0.000 1.212 514 W CA 0.756 58.120 57.345 0.032 0.000 1.260 514 W CB -0.228 29.317 29.460 0.143 0.000 1.131 514 W HN 0.531 nan 8.180 nan 0.000 0.530 515 Q N 0.230 120.103 119.800 0.122 0.000 2.167 515 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 515 Q C 1.905 177.910 176.000 0.008 0.000 0.970 515 Q CA 1.403 57.251 55.803 0.075 0.000 0.855 515 Q CB -0.261 28.496 28.738 0.032 0.000 0.911 515 Q HN 0.462 nan 8.270 nan 0.000 0.438 516 E N 0.291 120.442 120.200 -0.082 0.000 2.112 516 E HA -0.143 4.208 4.350 0.002 0.000 0.190 516 E C 1.884 178.407 176.600 -0.128 0.000 0.979 516 E CA 0.311 56.636 56.400 -0.125 0.000 0.814 516 E CB 0.064 29.660 29.700 -0.173 0.000 0.762 516 E HN 0.127 nan 8.360 nan 0.000 0.460 517 L N 1.658 122.845 121.223 -0.060 0.000 2.042 517 L HA -0.213 4.128 4.340 0.002 0.000 0.210 517 L C 1.785 178.695 176.870 0.066 0.000 1.076 517 L CA 1.907 56.739 54.840 -0.015 0.000 0.749 517 L CB -0.149 42.024 42.059 0.191 0.000 0.893 517 L HN 0.044 nan 8.230 nan 0.000 0.432 518 E N -1.696 118.625 120.200 0.201 0.000 2.216 518 E HA -0.123 4.228 4.350 0.002 0.000 0.192 518 E C 1.827 178.530 176.600 0.171 0.000 0.988 518 E CA 1.237 57.823 56.400 0.309 0.000 0.834 518 E CB 0.060 29.964 29.700 0.339 0.000 0.772 518 E HN 0.553 nan 8.360 nan 0.000 0.479 519 T N 0.531 115.105 114.554 0.034 0.000 2.851 519 T HA -0.055 4.296 4.350 0.002 0.000 0.262 519 T C 2.005 176.600 174.700 -0.174 0.000 1.043 519 T CA 0.884 62.958 62.100 -0.043 0.000 1.140 519 T CB -0.164 68.659 68.868 -0.074 0.000 0.872 519 T HN 0.203 nan 8.240 nan 0.000 0.446 520 A N 1.466 124.074 122.820 -0.353 0.000 1.884 520 A HA -0.117 4.204 4.320 0.002 0.000 0.219 520 A C 1.971 179.280 177.584 -0.458 0.000 1.197 520 A CA 1.680 53.329 52.037 -0.647 0.000 0.637 520 A CB -1.198 17.349 19.000 -0.754 0.000 0.827 520 A HN 0.424 nan 8.150 nan 0.000 0.450 521 F N 0.031 119.819 119.950 -0.271 0.000 2.126 521 F HA -0.117 4.411 4.527 0.002 0.000 0.299 521 F C 2.838 178.544 175.800 -0.156 0.000 1.096 521 F CA 1.071 58.890 58.000 -0.301 0.000 1.255 521 F CB -0.714 38.254 39.000 -0.054 0.000 0.997 521 F HN 0.263 nan 8.300 nan 0.000 0.479 522 A N -0.503 122.452 122.820 0.225 0.000 1.972 522 A HA -0.262 4.059 4.320 0.002 0.000 0.219 522 A C 1.855 179.512 177.584 0.123 0.000 1.169 522 A CA 2.090 54.264 52.037 0.227 0.000 0.635 522 A CB -1.084 18.018 19.000 0.171 0.000 0.810 522 A HN 0.426 nan 8.150 nan 0.000 0.446 523 D N -0.534 119.870 120.400 0.007 0.000 2.117 523 D HA 0.014 4.655 4.640 0.002 0.000 0.198 523 D C 2.012 178.313 176.300 0.002 0.000 0.982 523 D CA 1.483 55.482 54.000 -0.002 0.000 0.828 523 D CB -0.142 40.622 40.800 -0.059 0.000 0.967 523 D HN 0.337 nan 8.370 nan 0.000 0.464 524 A N -0.015 122.737 122.820 -0.114 0.000 1.854 524 A HA -0.077 4.244 4.320 0.002 0.000 0.214 524 A C 1.964 179.510 177.584 -0.063 0.000 1.192 524 A CA 1.027 52.946 52.037 -0.197 0.000 0.611 524 A CB -1.443 17.255 19.000 -0.503 0.000 0.832 524 A HN 0.529 nan 8.150 nan 0.000 0.442 525 W N -0.165 121.208 121.300 0.122 0.000 2.747 525 W HA -0.009 4.652 4.660 0.002 0.000 0.244 525 W C 2.248 178.818 176.519 0.086 0.000 1.270 525 W CA 0.305 57.720 57.345 0.116 0.000 1.333 525 W CB -0.024 29.515 29.460 0.132 0.000 1.139 525 W HN 0.280 nan 8.180 nan 0.000 0.662 526 R N -0.238 120.414 120.500 0.253 0.000 2.161 526 R HA -0.007 4.334 4.340 0.002 0.000 0.213 526 R C 1.038 177.419 176.300 0.136 0.000 1.055 526 R CA 1.317 57.520 56.100 0.171 0.000 0.996 526 R CB -0.099 30.274 30.300 0.123 0.000 0.901 526 R HN 0.021 nan 8.270 nan 0.000 0.456 527 T N -2.251 112.380 114.554 0.128 0.000 2.900 527 T HA 0.367 4.718 4.350 0.002 0.000 0.295 527 T C -2.855 171.913 174.700 0.114 0.000 1.044 527 T CA -2.388 59.774 62.100 0.103 0.000 0.995 527 T CB 2.698 71.611 68.868 0.074 0.000 1.072 527 T HN -0.263 nan 8.240 nan 0.000 0.473 528 P HA 0.232 nan 4.420 nan 0.000 0.231 528 P C -0.249 177.099 177.300 0.080 0.000 1.756 528 P CA 0.058 63.219 63.100 0.102 0.000 0.990 528 P CB -0.660 31.091 31.700 0.085 0.000 1.973 529 T N -2.904 111.694 114.554 0.074 0.000 2.906 529 T HA 0.437 4.788 4.350 0.002 0.000 0.295 529 T C -0.109 174.613 174.700 0.037 0.000 1.075 529 T CA -0.718 61.413 62.100 0.052 0.000 1.005 529 T CB 0.829 69.724 68.868 0.045 0.000 1.136 529 T HN -0.211 nan 8.240 nan 0.000 0.498 530 T N 2.727 117.296 114.554 0.024 0.000 2.870 530 T HA 0.449 4.800 4.350 0.002 0.000 0.300 530 T C -0.056 174.636 174.700 -0.012 0.000 0.989 530 T CA 0.072 62.174 62.100 0.003 0.000 1.139 530 T CB 0.421 69.289 68.868 -0.001 0.000 0.920 530 T HN 0.746 nan 8.240 nan 0.000 0.537 531 T N 3.114 117.635 114.554 -0.054 0.000 2.841 531 T HA 0.473 4.825 4.350 0.002 0.000 0.283 531 T C -0.262 174.392 174.700 -0.076 0.000 1.000 531 T CA -0.546 61.512 62.100 -0.069 0.000 0.977 531 T CB 1.241 70.044 68.868 -0.108 0.000 0.979 531 T HN 0.312 nan 8.240 nan 0.000 0.446 532 V N 4.942 124.844 119.914 -0.021 0.000 2.407 532 V HA 0.483 4.605 4.120 0.002 0.000 0.278 532 V C -0.120 175.938 176.094 -0.060 0.000 1.037 532 V CA -0.643 61.666 62.300 0.015 0.000 0.900 532 V CB 0.974 32.889 31.823 0.154 0.000 0.983 532 V HN 0.761 nan 8.190 nan 0.000 0.459 533 I N 4.373 124.854 120.570 -0.147 0.000 2.389 533 I HA 0.421 4.592 4.170 0.002 0.000 0.288 533 I C 0.026 176.038 176.117 -0.175 0.000 0.999 533 I CA -0.304 60.851 61.300 -0.242 0.000 1.129 533 I CB 1.741 39.517 38.000 -0.373 0.000 1.288 533 I HN 0.670 nan 8.210 nan 0.000 0.444 534 E N 7.919 128.014 120.200 -0.175 0.000 2.113 534 E HA 0.363 4.714 4.350 0.002 0.000 0.273 534 E C -1.099 175.463 176.600 -0.064 0.000 0.924 534 E CA -0.684 55.690 56.400 -0.044 0.000 0.764 534 E CB 1.387 31.217 29.700 0.217 0.000 1.104 534 E HN 0.541 nan 8.360 nan 0.000 0.406 535 M N 5.658 125.208 119.600 -0.083 0.000 2.061 535 M HA 0.241 4.722 4.480 0.002 0.000 0.346 535 M C -1.358 174.906 176.300 -0.059 0.000 1.112 535 M CA -0.731 54.499 55.300 -0.117 0.000 1.021 535 M CB 1.151 33.612 32.600 -0.231 0.000 1.530 535 M HN 0.332 nan 8.290 nan 0.000 0.437 536 V N 6.444 126.361 119.914 0.006 0.000 2.406 536 V HA 0.355 4.476 4.120 0.002 0.000 0.272 536 V C 0.147 176.242 176.094 0.002 0.000 1.043 536 V CA -0.421 61.918 62.300 0.065 0.000 0.915 536 V CB 1.143 33.060 31.823 0.158 0.000 0.988 536 V HN 0.721 nan 8.190 nan 0.000 0.466 537 V N 3.219 123.126 119.914 -0.012 0.000 3.229 537 V HA 0.688 4.809 4.120 0.002 0.000 0.310 537 V C -0.136 175.969 176.094 0.018 0.000 1.206 537 V CA -1.278 61.008 62.300 -0.024 0.000 1.051 537 V CB 2.108 33.889 31.823 -0.069 0.000 1.183 537 V HN 0.671 nan 8.190 nan 0.000 0.466 538 N N 1.877 120.587 118.700 0.018 0.000 2.408 538 N HA 0.159 4.901 4.740 0.002 0.000 0.257 538 N C 0.276 175.799 175.510 0.022 0.000 1.064 538 N CA 0.388 53.455 53.050 0.028 0.000 0.952 538 N CB 1.271 39.777 38.487 0.032 0.000 1.093 538 N HN 0.944 nan 8.380 nan 0.000 0.490 539 D N 1.593 122.009 120.400 0.027 0.000 2.797 539 D HA -0.344 4.297 4.640 0.002 0.000 0.222 539 D C 1.478 177.791 176.300 0.022 0.000 1.070 539 D CA 2.757 56.773 54.000 0.026 0.000 0.926 539 D CB -0.994 39.826 40.800 0.034 0.000 1.136 539 D HN 0.576 nan 8.370 nan 0.000 0.487 540 T N -3.898 110.671 114.554 0.025 0.000 3.113 540 T HA -0.032 4.319 4.350 0.002 0.000 0.263 540 T C 1.257 175.967 174.700 0.017 0.000 1.143 540 T CA 0.937 63.050 62.100 0.022 0.000 1.090 540 T CB -0.254 68.629 68.868 0.025 0.000 0.922 540 T HN -0.031 nan 8.240 nan 0.000 0.521 541 D N 2.200 122.611 120.400 0.018 0.000 2.126 541 D HA -0.056 4.585 4.640 0.002 0.000 0.190 541 D C 2.388 178.697 176.300 0.015 0.000 1.001 541 D CA 1.750 55.762 54.000 0.019 0.000 0.841 541 D CB -0.981 39.832 40.800 0.021 0.000 0.949 541 D HN 0.559 nan 8.370 nan 0.000 0.446 542 G N 0.147 108.952 108.800 0.008 0.000 2.469 542 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 542 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 542 G C 1.598 176.500 174.900 0.002 0.000 1.150 542 G CA 1.387 46.490 45.100 0.004 0.000 0.763 542 G HN 0.434 nan 8.290 nan 0.000 0.561 543 A N -0.499 122.321 122.820 0.000 0.000 1.975 543 A HA 0.160 4.482 4.320 0.002 0.000 0.215 543 A C 2.239 179.823 177.584 0.001 0.000 1.170 543 A CA 1.457 53.491 52.037 -0.004 0.000 0.656 543 A CB -0.215 18.782 19.000 -0.005 0.000 0.821 543 A HN 0.397 nan 8.150 nan 0.000 0.449 544 Q N -0.603 119.201 119.800 0.007 0.000 2.079 544 Q HA -0.118 4.223 4.340 0.002 0.000 0.200 544 Q C 2.034 178.040 176.000 0.010 0.000 0.974 544 Q CA 1.860 57.669 55.803 0.010 0.000 0.840 544 Q CB -0.208 28.540 28.738 0.016 0.000 0.898 544 Q HN 0.663 nan 8.270 nan 0.000 0.430 545 T N 1.442 116.002 114.554 0.011 0.000 2.759 545 T HA -0.183 4.168 4.350 0.002 0.000 0.269 545 T C 1.667 176.366 174.700 -0.002 0.000 1.042 545 T CA 1.154 63.259 62.100 0.009 0.000 1.140 545 T CB -0.209 68.669 68.868 0.016 0.000 0.864 545 T HN 0.162 nan 8.240 nan 0.000 0.455 546 L N 0.644 121.863 121.223 -0.005 0.000 2.109 546 L HA 0.071 4.412 4.340 0.002 0.000 0.207 546 L C 2.440 179.300 176.870 -0.017 0.000 1.086 546 L CA 1.600 56.431 54.840 -0.015 0.000 0.760 546 L CB -0.644 41.405 42.059 -0.018 0.000 0.910 546 L HN 0.172 nan 8.230 nan 0.000 0.437 547 Q N -0.775 119.019 119.800 -0.010 0.000 2.020 547 Q HA -0.274 4.067 4.340 0.002 0.000 0.202 547 Q C 2.288 178.284 176.000 -0.008 0.000 0.982 547 Q CA 2.332 58.130 55.803 -0.009 0.000 0.838 547 Q CB -0.189 28.549 28.738 0.000 0.000 0.899 547 Q HN 0.598 nan 8.270 nan 0.000 0.423 548 Q N 0.044 119.844 119.800 0.001 0.000 2.112 548 Q HA -0.189 4.152 4.340 0.002 0.000 0.206 548 Q C 2.034 178.034 176.000 -0.000 0.000 0.987 548 Q CA 1.277 57.085 55.803 0.009 0.000 0.858 548 Q CB -0.092 28.654 28.738 0.013 0.000 0.905 548 Q HN 0.368 nan 8.270 nan 0.000 0.420 549 L N -0.020 121.195 121.223 -0.013 0.000 2.179 549 L HA -0.119 4.222 4.340 0.002 0.000 0.208 549 L C 2.208 179.057 176.870 -0.035 0.000 1.096 549 L CA 0.272 55.099 54.840 -0.022 0.000 0.779 549 L CB -0.216 41.825 42.059 -0.031 0.000 0.922 549 L HN 0.357 nan 8.230 nan 0.000 0.443 550 L N 0.037 121.234 121.223 -0.044 0.000 1.994 550 L HA -0.191 4.150 4.340 0.002 0.000 0.208 550 L C 2.670 179.476 176.870 -0.106 0.000 1.071 550 L CA 2.214 57.015 54.840 -0.064 0.000 0.745 550 L CB -0.858 41.166 42.059 -0.057 0.000 0.892 550 L HN 0.251 nan 8.230 nan 0.000 0.431 551 A N -0.570 122.184 122.820 -0.111 0.000 1.908 551 A HA -0.301 4.020 4.320 0.002 0.000 0.218 551 A C 2.224 179.652 177.584 -0.261 0.000 1.181 551 A CA 1.926 53.833 52.037 -0.217 0.000 0.627 551 A CB -0.692 18.279 19.000 -0.049 0.000 0.818 551 A HN 0.672 nan 8.150 nan 0.000 0.445 552 Q N -0.302 119.470 119.800 -0.047 0.000 2.030 552 Q HA -0.158 4.183 4.340 0.002 0.000 0.204 552 Q C 1.989 177.997 176.000 0.012 0.000 0.986 552 Q CA 2.306 58.134 55.803 0.041 0.000 0.843 552 Q CB -0.212 28.543 28.738 0.029 0.000 0.904 552 Q HN 0.454 nan 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