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 2yqu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYDLLVIGAG PGGYVAAIRA AQLGMKVGVV EKEKALGGTc LRVGcIPSKA DATA SEQUENCE LLETTERIYE AKKGLLGAKV KGVELDLPAL MAHKDKVVQA NTQGVEFLFK DATA SEQUENCE KNGIARHQGT ARFLSERKVL VEETGEELEA RYILIATGSA PLIPPWAQVD DATA SEQUENCE YERVVTSTEA LSFPEVPKRL IVVGGGVIGL ELGVVWHRLG AEVIVLEYMD DATA SEQUENCE RILPTMDLEV SRAAERVFKK QGLTIRTGVR VTAVVPEAKG ARVELEGGEV DATA SEQUENCE LEADRVLVAV GRRPYTEGLS LENAGLSTDE RGRIPVDEHL RTRVPHIYAI DATA SEQUENCE GDVVRGPMLA HKASEEGIAA VEHMVRGFGH VDYQAIPSVV YTHPEIAAVG DATA SEQUENCE YTEEELKAQG IPYKVGKFPY SASGRARAMG ETEGFIKVLA HAKTDRILGV DATA SEQUENCE HGIGARVGDV LAEAALALFF KASAEDLGRA PHAHPSLSEI LKEAALAAWE DATA SEQUENCE RPIHL 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 0.000 176.222 176.300 -0.131 0.000 1.140 1 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 Y N 1.289 121.597 120.300 0.013 0.000 2.379 2 Y HA 0.116 4.666 4.550 -0.000 0.000 0.337 2 Y C 0.891 176.811 175.900 0.033 0.000 1.238 2 Y CA -0.086 58.029 58.100 0.024 0.000 1.405 2 Y CB 0.380 38.858 38.460 0.029 0.000 1.310 2 Y HN 0.642 nan 8.280 nan 0.000 0.569 3 D N 1.023 121.566 120.400 0.238 0.000 2.162 3 D HA -0.033 4.606 4.640 -0.000 0.000 0.203 3 D C -0.277 176.177 176.300 0.256 0.000 0.967 3 D CA 1.239 55.360 54.000 0.202 0.000 0.840 3 D CB 0.264 41.168 40.800 0.173 0.000 0.972 3 D HN 0.185 nan 8.370 nan 0.000 0.482 4 L N 0.637 121.972 121.223 0.187 0.000 2.438 4 L HA 0.422 4.762 4.340 -0.000 0.000 0.270 4 L C -1.822 175.043 176.870 -0.008 0.000 0.972 4 L CA -0.912 54.003 54.840 0.124 0.000 0.831 4 L CB 2.081 44.163 42.059 0.037 0.000 1.273 4 L HN -0.237 nan 8.230 nan 0.000 0.405 5 L N 6.028 127.261 121.223 0.016 0.000 2.305 5 L HA 0.740 5.080 4.340 -0.000 0.000 0.284 5 L C -1.207 175.638 176.870 -0.042 0.000 1.013 5 L CA -0.304 54.477 54.840 -0.099 0.000 0.819 5 L CB 1.848 43.892 42.059 -0.025 0.000 1.227 5 L HN 0.429 nan 8.230 nan 0.000 0.417 6 V N 6.617 126.484 119.914 -0.079 0.000 2.398 6 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 6 V C 0.108 176.197 176.094 -0.008 0.000 1.026 6 V CA -0.443 61.847 62.300 -0.018 0.000 0.868 6 V CB 1.551 33.367 31.823 -0.011 0.000 0.982 6 V HN 0.579 nan 8.190 nan 0.000 0.443 7 I N 4.605 125.181 120.570 0.011 0.000 2.307 7 I HA 0.719 4.889 4.170 -0.000 0.000 0.289 7 I C 0.672 176.820 176.117 0.053 0.000 1.021 7 I CA 0.082 61.386 61.300 0.007 0.000 1.224 7 I CB 1.140 39.117 38.000 -0.038 0.000 1.376 7 I HN 0.895 nan 8.210 nan 0.000 0.470 8 G N 4.441 113.282 108.800 0.068 0.000 2.906 8 G HA2 0.160 4.120 3.960 -0.000 0.000 0.686 8 G HA3 0.160 4.120 3.960 -0.000 0.000 0.686 8 G C -0.426 174.547 174.900 0.122 0.000 1.170 8 G CA -0.330 44.821 45.100 0.086 0.000 0.775 8 G HN 0.889 nan 8.290 nan 0.000 0.630 9 A N 1.334 124.232 122.820 0.131 0.000 2.676 9 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 9 A C 1.327 179.036 177.584 0.208 0.000 1.132 9 A CA 1.137 53.294 52.037 0.199 0.000 0.972 9 A CB -0.127 18.959 19.000 0.143 0.000 1.197 9 A HN 2.199 nan 8.150 nan 0.000 0.524 10 G N 0.104 109.000 108.800 0.161 0.000 2.553 10 G HA2 0.399 4.359 3.960 -0.000 0.000 0.278 10 G HA3 0.399 4.359 3.960 -0.000 0.000 0.278 10 G C -1.151 173.844 174.900 0.159 0.000 1.349 10 G CA -0.927 44.269 45.100 0.160 0.000 1.037 10 G HN 0.089 nan 8.290 nan 0.000 0.508 11 P HA -0.142 nan 4.420 nan 0.000 0.216 11 P C 1.980 179.128 177.300 -0.254 0.000 1.154 11 P CA 1.994 64.992 63.100 -0.169 0.000 0.865 11 P CB -0.055 31.610 31.700 -0.058 0.000 0.789 12 G N -0.589 108.152 108.800 -0.099 0.000 2.434 12 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 12 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 12 G C 1.815 176.680 174.900 -0.058 0.000 1.202 12 G CA 0.966 46.025 45.100 -0.069 0.000 0.788 12 G HN 0.365 nan 8.290 nan 0.000 0.539 13 G N 0.308 109.115 108.800 0.011 0.000 2.414 13 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 13 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 13 G C 1.750 176.731 174.900 0.136 0.000 1.188 13 G CA 1.399 46.544 45.100 0.074 0.000 0.783 13 G HN 0.597 nan 8.290 nan 0.000 0.537 14 Y N 0.962 121.356 120.300 0.157 0.000 2.242 14 Y HA 0.080 4.630 4.550 0.000 0.000 0.291 14 Y C 2.368 178.404 175.900 0.227 0.000 1.137 14 Y CA 1.030 59.307 58.100 0.294 0.000 1.181 14 Y CB -0.722 37.828 38.460 0.150 0.000 0.989 14 Y HN 0.014 nan 8.280 nan 0.000 0.527 15 V N 1.385 121.028 119.914 -0.453 0.000 2.453 15 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 15 V C 2.893 178.938 176.094 -0.081 0.000 1.048 15 V CA 1.597 63.726 62.300 -0.286 0.000 1.049 15 V CB -1.461 30.121 31.823 -0.402 0.000 0.672 15 V HN 0.621 nan 8.190 nan 0.000 0.457 16 A N 0.302 123.077 122.820 -0.075 0.000 1.908 16 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 16 A C 2.440 180.001 177.584 -0.038 0.000 1.181 16 A CA 2.294 54.301 52.037 -0.051 0.000 0.627 16 A CB -0.820 18.151 19.000 -0.047 0.000 0.818 16 A HN 0.569 nan 8.150 nan 0.000 0.445 17 A N -0.174 122.641 122.820 -0.008 0.000 1.902 17 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 17 A C 2.137 179.680 177.584 -0.068 0.000 1.181 17 A CA 1.573 53.563 52.037 -0.078 0.000 0.623 17 A CB -0.614 18.283 19.000 -0.172 0.000 0.818 17 A HN 0.508 nan 8.150 nan 0.000 0.443 18 I N -1.219 119.374 120.570 0.039 0.000 2.179 18 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 18 I C 2.673 178.802 176.117 0.020 0.000 1.088 18 I CA 1.673 63.011 61.300 0.063 0.000 1.357 18 I CB -0.248 37.855 38.000 0.171 0.000 1.051 18 I HN 0.253 nan 8.210 nan 0.000 0.409 19 R N 1.546 122.049 120.500 0.006 0.000 2.081 19 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 19 R C 2.209 178.494 176.300 -0.025 0.000 1.131 19 R CA 1.839 57.934 56.100 -0.009 0.000 0.960 19 R CB -0.747 29.540 30.300 -0.021 0.000 0.856 19 R HN 0.369 nan 8.270 nan 0.000 0.436 20 A N 0.183 122.976 122.820 -0.046 0.000 1.908 20 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 20 A C 2.385 179.945 177.584 -0.041 0.000 1.181 20 A CA 1.923 53.925 52.037 -0.058 0.000 0.627 20 A CB -1.153 17.800 19.000 -0.079 0.000 0.818 20 A HN 0.481 nan 8.150 nan 0.000 0.445 21 A N -0.718 122.076 122.820 -0.043 0.000 1.908 21 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 21 A C 2.105 179.682 177.584 -0.012 0.000 1.181 21 A CA 1.745 53.763 52.037 -0.032 0.000 0.627 21 A CB -0.649 18.324 19.000 -0.044 0.000 0.818 21 A HN 0.665 nan 8.150 nan 0.000 0.445 22 Q N -0.700 119.097 119.800 -0.004 0.000 2.170 22 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 22 Q C 1.699 177.700 176.000 0.003 0.000 0.976 22 Q CA 1.187 56.993 55.803 0.005 0.000 0.858 22 Q CB -0.269 28.477 28.738 0.012 0.000 0.907 22 Q HN 0.683 nan 8.270 nan 0.000 0.433 23 L N -1.212 120.008 121.223 -0.005 0.000 2.554 23 L HA 0.109 4.449 4.340 -0.000 0.000 0.226 23 L C 1.130 178.000 176.870 0.000 0.000 1.137 23 L CA 0.490 55.327 54.840 -0.004 0.000 0.863 23 L CB 0.174 42.222 42.059 -0.018 0.000 0.985 23 L HN 0.409 nan 8.230 nan 0.000 0.451 24 G N -0.521 108.279 108.800 0.001 0.000 2.148 24 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.203 24 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.203 24 G C 0.234 175.143 174.900 0.015 0.000 0.993 24 G CA -0.398 44.707 45.100 0.009 0.000 0.661 24 G HN 0.160 nan 8.290 nan 0.000 0.518 25 M N 0.361 119.967 119.600 0.010 0.000 2.242 25 M HA 0.313 4.793 4.480 -0.000 0.000 0.344 25 M C 0.675 176.995 176.300 0.032 0.000 1.140 25 M CA -0.019 55.297 55.300 0.027 0.000 1.160 25 M CB 1.033 33.640 32.600 0.011 0.000 1.491 25 M HN 0.135 nan 8.290 nan 0.000 0.459 26 K N 2.666 123.109 120.400 0.071 0.000 2.285 26 K HA 0.458 4.778 4.320 -0.000 0.000 0.286 26 K C -1.655 175.027 176.600 0.136 0.000 1.072 26 K CA -0.325 56.028 56.287 0.109 0.000 0.913 26 K CB 0.599 33.185 32.500 0.143 0.000 1.067 26 K HN 0.532 nan 8.250 nan 0.000 0.479 27 V N 3.060 122.992 119.914 0.030 0.000 2.604 27 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 27 V C 0.347 176.207 176.094 -0.388 0.000 1.043 27 V CA -0.884 61.324 62.300 -0.153 0.000 0.888 27 V CB 1.767 33.483 31.823 -0.179 0.000 0.995 27 V HN 0.929 nan 8.190 nan 0.000 0.429 28 G N 2.322 110.613 108.800 -0.848 0.000 2.481 28 G HA2 0.704 4.664 3.960 -0.000 0.000 0.315 28 G HA3 0.704 4.664 3.960 -0.000 0.000 0.315 28 G C -1.515 173.130 174.900 -0.425 0.000 1.231 28 G CA -0.640 43.914 45.100 -0.909 0.000 0.968 28 G HN 0.580 nan 8.290 nan 0.000 0.482 29 V N 1.018 120.841 119.914 -0.152 0.000 2.577 29 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 29 V C -0.357 175.806 176.094 0.115 0.000 1.042 29 V CA -0.707 61.586 62.300 -0.011 0.000 0.872 29 V CB 1.765 33.634 31.823 0.077 0.000 0.998 29 V HN 0.617 nan 8.190 nan 0.000 0.423 30 V N 3.441 123.392 119.914 0.062 0.000 2.398 30 V HA 0.729 4.849 4.120 -0.000 0.000 0.286 30 V C -0.356 175.784 176.094 0.077 0.000 1.026 30 V CA -0.467 61.879 62.300 0.076 0.000 0.868 30 V CB 1.575 33.391 31.823 -0.012 0.000 0.982 30 V HN 0.975 nan 8.190 nan 0.000 0.443 31 E N 3.589 123.842 120.200 0.087 0.000 2.278 31 E HA 0.396 4.746 4.350 -0.000 0.000 0.272 31 E C 0.453 177.080 176.600 0.045 0.000 0.890 31 E CA -0.717 55.722 56.400 0.064 0.000 0.770 31 E CB 1.943 31.683 29.700 0.067 0.000 1.212 31 E HN 0.627 nan 8.360 nan 0.000 0.415 32 K N 2.628 123.047 120.400 0.032 0.000 2.228 32 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 32 K C 0.135 176.737 176.600 0.003 0.000 1.051 32 K CA 0.357 56.657 56.287 0.023 0.000 0.960 32 K CB 0.136 32.654 32.500 0.030 0.000 0.743 32 K HN 0.303 nan 8.250 nan 0.000 0.458 33 E N 1.956 122.149 120.200 -0.011 0.000 2.349 33 E HA 0.017 4.367 4.350 -0.000 0.000 0.265 33 E C 0.352 176.936 176.600 -0.027 0.000 1.064 33 E CA -0.070 56.313 56.400 -0.029 0.000 0.886 33 E CB 1.682 31.354 29.700 -0.047 0.000 1.036 33 E HN 0.171 nan 8.360 nan 0.000 0.413 34 K N 1.461 121.841 120.400 -0.033 0.000 2.026 34 K HA -0.083 4.236 4.320 -0.000 0.000 0.208 34 K C 0.516 177.087 176.600 -0.049 0.000 1.048 34 K CA 1.280 57.547 56.287 -0.033 0.000 0.929 34 K CB 0.115 32.595 32.500 -0.034 0.000 0.713 34 K HN 0.475 nan 8.250 nan 0.000 0.439 35 A N 1.073 123.855 122.820 -0.063 0.000 2.304 35 A HA 0.451 4.771 4.320 -0.000 0.000 0.301 35 A C -0.343 177.175 177.584 -0.110 0.000 1.132 35 A CA -0.729 51.254 52.037 -0.090 0.000 0.819 35 A CB 0.443 19.388 19.000 -0.091 0.000 1.094 35 A HN 0.303 nan 8.150 nan 0.000 0.492 36 L N 0.778 121.899 121.223 -0.170 0.000 2.468 36 L HA 0.595 4.935 4.340 -0.000 0.000 0.254 36 L C 1.482 178.220 176.870 -0.220 0.000 1.171 36 L CA 0.666 55.371 54.840 -0.226 0.000 0.809 36 L CB 0.722 42.522 42.059 -0.432 0.000 1.155 36 L HN 1.147 nan 8.230 nan 0.000 0.473 37 G N -0.454 108.237 108.800 -0.182 0.000 2.211 37 G HA2 0.061 4.021 3.960 -0.000 0.000 0.201 37 G HA3 0.061 4.021 3.960 -0.000 0.000 0.201 37 G C 0.552 175.471 174.900 0.032 0.000 0.997 37 G CA -0.129 44.907 45.100 -0.108 0.000 0.652 37 G HN 1.420 nan 8.290 nan 0.000 0.500 38 G N -0.973 107.832 108.800 0.008 0.000 2.645 38 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.239 38 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.239 38 G C 0.948 175.839 174.900 -0.015 0.000 1.331 38 G CA 0.872 45.980 45.100 0.013 0.000 0.890 38 G HN 1.254 nan 8.290 nan 0.000 0.572 39 T N -0.508 114.034 114.554 -0.020 0.000 2.720 39 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 39 T C 2.492 177.180 174.700 -0.020 0.000 1.037 39 T CA 2.632 64.712 62.100 -0.032 0.000 1.144 39 T CB -0.656 68.192 68.868 -0.034 0.000 0.864 39 T HN 1.037 nan 8.240 nan 0.000 0.444 40 c N 0.669 119.269 118.600 0.000 0.000 2.413 40 c HA 0.006 4.576 4.570 -0.000 0.000 0.277 40 c C 2.579 176.665 174.090 -0.007 0.000 1.228 40 c CA 0.662 56.995 56.329 0.006 0.000 1.731 40 c CB -1.376 41.153 42.510 0.031 0.000 2.042 40 c HN 0.587 nan 8.230 nan 0.000 0.468 41 L N -0.141 121.078 121.223 -0.008 0.000 2.095 41 L HA -0.013 4.327 4.340 -0.000 0.000 0.204 41 L C 3.002 179.838 176.870 -0.057 0.000 1.080 41 L CA 1.323 56.141 54.840 -0.038 0.000 0.759 41 L CB -0.488 41.535 42.059 -0.059 0.000 0.914 41 L HN 0.360 nan 8.230 nan 0.000 0.439 42 R N -0.984 119.483 120.500 -0.055 0.000 2.062 42 R HA -0.027 4.313 4.340 -0.000 0.000 0.226 42 R C 1.194 177.459 176.300 -0.058 0.000 1.125 42 R CA 1.591 57.654 56.100 -0.063 0.000 0.966 42 R CB 0.118 30.380 30.300 -0.065 0.000 0.861 42 R HN 0.394 nan 8.270 nan 0.000 0.433 43 V N -4.091 115.793 119.914 -0.050 0.000 3.265 43 V HA 0.515 4.635 4.120 -0.000 0.000 0.346 43 V C 0.086 176.159 176.094 -0.035 0.000 1.447 43 V CA -0.025 62.247 62.300 -0.046 0.000 1.179 43 V CB 0.707 32.500 31.823 -0.051 0.000 1.103 43 V HN 0.281 nan 8.190 nan 0.000 0.530 44 G N -0.007 108.775 108.800 -0.031 0.000 3.359 44 G HA2 0.207 4.167 3.960 -0.000 0.000 0.187 44 G HA3 0.207 4.167 3.960 -0.000 0.000 0.187 44 G C 0.974 175.865 174.900 -0.016 0.000 1.294 44 G CA 0.690 45.779 45.100 -0.017 0.000 0.769 44 G HN 0.268 nan 8.290 nan 0.000 0.733 45 c N 0.964 119.560 118.600 -0.008 0.000 2.385 45 c HA -0.049 4.521 4.570 -0.000 0.000 0.275 45 c C 2.759 176.819 174.090 -0.050 0.000 1.207 45 c CA 0.454 56.775 56.329 -0.013 0.000 1.760 45 c CB -1.202 41.307 42.510 -0.001 0.000 2.051 45 c HN 0.391 nan 8.230 nan 0.000 0.467 46 I N 2.145 122.683 120.570 -0.052 0.000 2.133 46 I HA -0.066 4.104 4.170 -0.000 0.000 0.238 46 I C 0.138 176.207 176.117 -0.081 0.000 1.074 46 I CA 1.532 62.788 61.300 -0.074 0.000 1.342 46 I CB -2.709 35.247 38.000 -0.073 0.000 1.053 46 I HN 0.218 nan 8.210 nan 0.000 0.404 47 P HA -0.103 nan 4.420 nan 0.000 0.217 47 P C 1.850 179.112 177.300 -0.063 0.000 1.150 47 P CA 1.905 64.961 63.100 -0.073 0.000 0.832 47 P CB -0.119 31.543 31.700 -0.062 0.000 0.787 48 S N -0.214 115.456 115.700 -0.050 0.000 2.368 48 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 48 S C 2.013 176.586 174.600 -0.045 0.000 1.029 48 S CA 1.005 59.180 58.200 -0.041 0.000 0.988 48 S CB -0.815 62.379 63.200 -0.012 0.000 0.838 48 S HN -0.044 nan 8.310 nan 0.000 0.462 49 K N 2.199 122.561 120.400 -0.063 0.000 2.148 49 K HA 0.336 4.656 4.320 -0.000 0.000 0.204 49 K C 2.316 178.885 176.600 -0.052 0.000 1.050 49 K CA 1.117 57.352 56.287 -0.086 0.000 0.942 49 K CB -1.176 31.212 32.500 -0.187 0.000 0.724 49 K HN 0.469 nan 8.250 nan 0.000 0.446 50 A N 0.671 123.464 122.820 -0.045 0.000 1.883 50 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 50 A C 2.146 179.750 177.584 0.033 0.000 1.186 50 A CA 1.521 53.567 52.037 0.014 0.000 0.624 50 A CB -0.707 18.255 19.000 -0.065 0.000 0.822 50 A HN 0.227 nan 8.150 nan 0.000 0.444 51 L N -1.030 120.172 121.223 -0.035 0.000 2.093 51 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 51 L C 2.586 179.397 176.870 -0.098 0.000 1.085 51 L CA 0.877 55.660 54.840 -0.094 0.000 0.755 51 L CB -0.476 41.478 42.059 -0.174 0.000 0.904 51 L HN 0.366 nan 8.230 nan 0.000 0.435 52 L N -0.744 120.442 121.223 -0.062 0.000 2.056 52 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 52 L C 2.761 179.628 176.870 -0.006 0.000 1.078 52 L CA 1.061 55.883 54.840 -0.030 0.000 0.749 52 L CB -0.438 41.635 42.059 0.024 0.000 0.901 52 L HN 0.228 nan 8.230 nan 0.000 0.433 53 E N -0.196 120.004 120.200 -0.000 0.000 2.077 53 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 53 E C 2.230 178.819 176.600 -0.019 0.000 0.989 53 E CA 2.048 58.452 56.400 0.006 0.000 0.800 53 E CB -0.355 29.350 29.700 0.008 0.000 0.746 53 E HN 0.601 nan 8.360 nan 0.000 0.452 54 T N -0.622 113.910 114.554 -0.037 0.000 2.812 54 T HA -0.117 4.233 4.350 -0.000 0.000 0.264 54 T C 2.192 176.855 174.700 -0.062 0.000 1.042 54 T CA 1.945 64.001 62.100 -0.073 0.000 1.140 54 T CB -0.817 67.993 68.868 -0.097 0.000 0.870 54 T HN 0.209 nan 8.240 nan 0.000 0.445 55 T N 0.069 114.581 114.554 -0.070 0.000 2.867 55 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 55 T C 1.870 176.562 174.700 -0.012 0.000 1.057 55 T CA 1.091 63.149 62.100 -0.070 0.000 1.136 55 T CB -0.435 68.347 68.868 -0.143 0.000 0.874 55 T HN 0.422 nan 8.240 nan 0.000 0.466 56 E N 1.201 121.398 120.200 -0.005 0.000 2.077 56 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 56 E C 2.436 179.045 176.600 0.015 0.000 0.989 56 E CA 1.043 57.459 56.400 0.026 0.000 0.800 56 E CB -0.058 29.655 29.700 0.021 0.000 0.746 56 E HN 0.337 nan 8.360 nan 0.000 0.452 57 R N 0.402 120.894 120.500 -0.013 0.000 2.081 57 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 57 R C 2.433 178.724 176.300 -0.015 0.000 1.131 57 R CA 1.060 57.143 56.100 -0.028 0.000 0.960 57 R CB -0.507 29.768 30.300 -0.041 0.000 0.856 57 R HN 0.266 nan 8.270 nan 0.000 0.436 58 I N -0.861 119.709 120.570 -0.001 0.000 2.163 58 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 58 I C 1.939 178.088 176.117 0.055 0.000 1.085 58 I CA 1.345 62.653 61.300 0.013 0.000 1.347 58 I CB -0.305 37.700 38.000 0.007 0.000 1.044 58 I HN 0.164 nan 8.210 nan 0.000 0.408 59 Y N 1.844 122.106 120.300 -0.064 0.000 2.181 59 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 59 Y C 2.543 178.408 175.900 -0.058 0.000 1.146 59 Y CA 1.541 59.605 58.100 -0.059 0.000 1.164 59 Y CB -0.192 38.238 38.460 -0.050 0.000 0.982 59 Y HN 0.138 nan 8.280 nan 0.000 0.515 60 E N -0.074 120.086 120.200 -0.067 0.000 2.106 60 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 60 E C 2.400 178.917 176.600 -0.138 0.000 0.984 60 E CA 1.104 57.411 56.400 -0.155 0.000 0.806 60 E CB -0.652 28.978 29.700 -0.118 0.000 0.750 60 E HN 0.523 nan 8.360 nan 0.000 0.458 61 A N 1.435 124.201 122.820 -0.089 0.000 1.969 61 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 61 A C 2.066 179.600 177.584 -0.084 0.000 1.169 61 A CA 1.432 53.426 52.037 -0.072 0.000 0.635 61 A CB -0.265 18.707 19.000 -0.047 0.000 0.810 61 A HN 0.107 nan 8.150 nan 0.000 0.445 62 K N -0.160 120.178 120.400 -0.102 0.000 2.097 62 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 62 K C 1.909 178.417 176.600 -0.153 0.000 1.050 62 K CA 1.376 57.600 56.287 -0.106 0.000 0.938 62 K CB -0.106 32.344 32.500 -0.082 0.000 0.718 62 K HN 0.373 nan 8.250 nan 0.000 0.442 63 K N -0.077 120.175 120.400 -0.247 0.000 2.217 63 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 63 K C 0.421 176.941 176.600 -0.135 0.000 1.051 63 K CA 0.697 56.845 56.287 -0.233 0.000 0.952 63 K CB 0.281 32.580 32.500 -0.335 0.000 0.736 63 K HN 0.312 nan 8.250 nan 0.000 0.453 64 G N 0.868 109.600 108.800 -0.113 0.000 2.841 64 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.684 64 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.684 64 G C -1.164 173.697 174.900 -0.066 0.000 1.273 64 G CA -1.061 43.995 45.100 -0.074 0.000 0.811 64 G HN 0.023 nan 8.290 nan 0.000 0.631 65 L N 1.863 123.057 121.223 -0.049 0.000 2.322 65 L HA 0.563 4.903 4.340 -0.000 0.000 0.279 65 L C 1.022 177.875 176.870 -0.027 0.000 1.036 65 L CA -1.037 53.780 54.840 -0.039 0.000 0.807 65 L CB 1.528 43.567 42.059 -0.034 0.000 1.226 65 L HN 0.528 nan 8.230 nan 0.000 0.433 66 L N 2.935 124.146 121.223 -0.021 0.000 2.499 66 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 66 L C 1.249 178.113 176.870 -0.011 0.000 1.195 66 L CA 0.737 55.570 54.840 -0.013 0.000 0.882 66 L CB 0.222 42.278 42.059 -0.006 0.000 1.133 66 L HN 1.002 nan 8.230 nan 0.000 0.483 67 G N 2.258 111.053 108.800 -0.009 0.000 2.143 67 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.248 67 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.248 67 G C 0.007 174.901 174.900 -0.010 0.000 0.991 67 G CA 0.085 45.181 45.100 -0.008 0.000 0.689 67 G HN 1.138 nan 8.290 nan 0.000 0.522 68 A N -1.357 121.455 122.820 -0.013 0.000 2.612 68 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 68 A C -0.733 176.840 177.584 -0.017 0.000 1.075 68 A CA 0.031 52.059 52.037 -0.014 0.000 0.680 68 A CB 1.382 20.373 19.000 -0.016 0.000 1.279 68 A HN 1.135 nan 8.150 nan 0.000 0.411 69 K N 1.011 121.402 120.400 -0.016 0.000 2.339 69 K HA 0.593 4.913 4.320 -0.000 0.000 0.264 69 K C -1.484 175.105 176.600 -0.018 0.000 0.986 69 K CA -0.226 56.051 56.287 -0.017 0.000 0.866 69 K CB 1.276 33.768 32.500 -0.014 0.000 1.103 69 K HN 0.484 nan 8.250 nan 0.000 0.441 70 V N 6.821 126.721 119.914 -0.022 0.000 2.368 70 V HA 0.153 4.273 4.120 -0.000 0.000 0.266 70 V C 0.899 176.981 176.094 -0.020 0.000 1.045 70 V CA -0.545 61.741 62.300 -0.023 0.000 0.899 70 V CB 1.136 32.941 31.823 -0.030 0.000 1.006 70 V HN 0.779 nan 8.190 nan 0.000 0.470 71 K N 3.325 123.715 120.400 -0.016 0.000 2.217 71 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 71 K C 0.866 177.459 176.600 -0.012 0.000 1.051 71 K CA 0.814 57.093 56.287 -0.013 0.000 0.952 71 K CB 0.299 32.793 32.500 -0.010 0.000 0.736 71 K HN 0.837 nan 8.250 nan 0.000 0.453 72 G N -0.209 108.583 108.800 -0.013 0.000 2.716 72 G HA2 0.393 4.353 3.960 -0.000 0.000 0.299 72 G HA3 0.393 4.353 3.960 -0.000 0.000 0.299 72 G C -1.711 173.182 174.900 -0.012 0.000 1.450 72 G CA -0.633 44.460 45.100 -0.011 0.000 0.968 72 G HN -0.136 nan 8.290 nan 0.000 0.566 73 V N 1.484 121.391 119.914 -0.010 0.000 2.447 73 V HA 0.527 4.646 4.120 -0.000 0.000 0.292 73 V C -0.239 175.854 176.094 -0.001 0.000 1.021 73 V CA -0.719 61.575 62.300 -0.009 0.000 0.850 73 V CB 1.598 33.412 31.823 -0.014 0.000 1.005 73 V HN 0.827 nan 8.190 nan 0.000 0.426 74 E N 3.682 123.883 120.200 0.002 0.000 2.158 74 E HA 0.483 4.833 4.350 -0.000 0.000 0.271 74 E C -0.807 175.801 176.600 0.012 0.000 0.911 74 E CA -0.987 55.419 56.400 0.009 0.000 0.767 74 E CB 1.977 31.682 29.700 0.009 0.000 1.120 74 E HN 0.632 nan 8.360 nan 0.000 0.405 75 L N 4.427 125.663 121.223 0.022 0.000 2.490 75 L HA 0.097 4.436 4.340 -0.000 0.000 0.274 75 L C -0.396 176.491 176.870 0.029 0.000 1.201 75 L CA 0.749 55.605 54.840 0.027 0.000 0.869 75 L CB 0.681 42.768 42.059 0.047 0.000 1.123 75 L HN 0.450 nan 8.230 nan 0.000 0.484 76 D N 4.252 124.666 120.400 0.024 0.000 2.460 76 D HA 0.080 4.720 4.640 -0.000 0.000 0.268 76 D C 0.762 177.085 176.300 0.038 0.000 1.153 76 D CA -0.422 53.594 54.000 0.027 0.000 0.929 76 D CB 0.638 41.446 40.800 0.014 0.000 1.015 76 D HN 0.596 nan 8.370 nan 0.000 0.502 77 L N 5.056 126.316 121.223 0.061 0.000 2.042 77 L HA 0.046 4.386 4.340 -0.000 0.000 0.210 77 L C -0.989 175.927 176.870 0.076 0.000 1.076 77 L CA 1.935 56.827 54.840 0.087 0.000 0.749 77 L CB -1.041 41.100 42.059 0.136 0.000 0.893 77 L HN 0.274 nan 8.230 nan 0.000 0.432 78 P HA -0.149 nan 4.420 nan 0.000 0.215 78 P C 1.518 178.844 177.300 0.044 0.000 1.153 78 P CA 2.030 65.161 63.100 0.052 0.000 0.853 78 P CB -0.190 31.534 31.700 0.040 0.000 0.788 79 A N -0.946 121.897 122.820 0.037 0.000 1.930 79 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 79 A C 2.164 179.776 177.584 0.047 0.000 1.175 79 A CA 1.179 53.237 52.037 0.034 0.000 0.627 79 A CB -1.602 17.409 19.000 0.018 0.000 0.815 79 A HN 0.143 nan 8.150 nan 0.000 0.443 80 L N -0.916 120.330 121.223 0.039 0.000 2.017 80 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 80 L C 2.395 179.302 176.870 0.063 0.000 1.073 80 L CA 1.858 56.721 54.840 0.038 0.000 0.745 80 L CB -0.306 41.755 42.059 0.003 0.000 0.894 80 L HN 0.286 nan 8.230 nan 0.000 0.432 81 M N -1.150 118.484 119.600 0.056 0.000 2.254 81 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 81 M C 2.374 178.695 176.300 0.034 0.000 1.066 81 M CA 1.417 56.746 55.300 0.048 0.000 1.123 81 M CB -1.420 31.219 32.600 0.066 0.000 1.388 81 M HN 0.423 nan 8.290 nan 0.000 0.425 82 A N -0.717 122.129 122.820 0.044 0.000 1.898 82 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 82 A C 2.003 179.608 177.584 0.034 0.000 1.181 82 A CA 2.124 54.180 52.037 0.032 0.000 0.620 82 A CB -1.041 17.981 19.000 0.036 0.000 0.819 82 A HN 0.570 nan 8.150 nan 0.000 0.442 83 H N 0.128 119.185 119.070 -0.022 0.000 2.321 83 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 83 H C 2.029 177.335 175.328 -0.036 0.000 1.087 83 H CA 2.232 58.262 56.048 -0.030 0.000 1.319 83 H CB -0.143 29.599 29.762 -0.033 0.000 1.379 83 H HN 0.456 nan 8.280 nan 0.000 0.501 84 K N -0.090 120.236 120.400 -0.124 0.000 2.032 84 K HA -0.185 4.134 4.320 -0.000 0.000 0.209 84 K C 1.546 178.045 176.600 -0.167 0.000 1.048 84 K CA 2.038 58.225 56.287 -0.167 0.000 0.927 84 K CB -0.123 32.341 32.500 -0.059 0.000 0.712 84 K HN 0.363 nan 8.250 nan 0.000 0.441 85 D N 0.447 120.785 120.400 -0.104 0.000 2.144 85 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 85 D C 1.818 178.054 176.300 -0.106 0.000 0.984 85 D CA 1.060 55.009 54.000 -0.085 0.000 0.834 85 D CB -0.013 40.758 40.800 -0.048 0.000 0.955 85 D HN 0.299 nan 8.370 nan 0.000 0.465 86 K N 0.669 120.994 120.400 -0.125 0.000 2.097 86 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 86 K C 1.966 178.471 176.600 -0.159 0.000 1.050 86 K CA 0.633 56.849 56.287 -0.119 0.000 0.938 86 K CB 0.111 32.556 32.500 -0.091 0.000 0.718 86 K HN -0.095 nan 8.250 nan 0.000 0.442 87 V N 0.647 120.409 119.914 -0.254 0.000 2.343 87 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 87 V C 2.284 178.281 176.094 -0.161 0.000 1.051 87 V CA 1.486 63.643 62.300 -0.238 0.000 1.036 87 V CB -0.170 31.452 31.823 -0.336 0.000 0.654 87 V HN 0.154 nan 8.190 nan 0.000 0.451 88 V N 0.457 120.281 119.914 -0.149 0.000 2.295 88 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 88 V C 2.597 178.626 176.094 -0.108 0.000 1.049 88 V CA 2.407 64.637 62.300 -0.116 0.000 1.024 88 V CB -0.775 30.988 31.823 -0.101 0.000 0.648 88 V HN 0.703 nan 8.190 nan 0.000 0.447 89 Q N 0.744 120.484 119.800 -0.100 0.000 2.096 89 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 89 Q C 2.157 178.102 176.000 -0.091 0.000 0.982 89 Q CA 2.621 58.372 55.803 -0.088 0.000 0.850 89 Q CB -0.334 28.360 28.738 -0.073 0.000 0.901 89 Q HN 0.573 nan 8.270 nan 0.000 0.422 90 A N 1.360 124.122 122.820 -0.097 0.000 1.930 90 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 90 A C 1.933 179.453 177.584 -0.108 0.000 1.175 90 A CA 1.394 53.373 52.037 -0.096 0.000 0.627 90 A CB -0.557 18.386 19.000 -0.094 0.000 0.815 90 A HN 0.527 nan 8.150 nan 0.000 0.443 91 N N -0.280 118.351 118.700 -0.114 0.000 2.171 91 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 91 N C 2.026 177.439 175.510 -0.162 0.000 1.021 91 N CA 2.101 55.076 53.050 -0.126 0.000 0.854 91 N CB -0.375 38.045 38.487 -0.111 0.000 0.994 91 N HN 0.705 nan 8.380 nan 0.000 0.426 92 T N -0.692 113.769 114.554 -0.155 0.000 2.821 92 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 92 T C 1.844 176.437 174.700 -0.178 0.000 1.046 92 T CA 1.000 62.988 62.100 -0.186 0.000 1.139 92 T CB -0.344 68.435 68.868 -0.149 0.000 0.871 92 T HN 0.191 nan 8.240 nan 0.000 0.454 93 Q N 0.855 120.581 119.800 -0.124 0.000 2.224 93 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 93 Q C 2.679 178.644 176.000 -0.058 0.000 0.970 93 Q CA 1.156 56.911 55.803 -0.080 0.000 0.865 93 Q CB -0.525 28.180 28.738 -0.055 0.000 0.922 93 Q HN 0.741 nan 8.270 nan 0.000 0.445 94 G N -0.007 108.731 108.800 -0.103 0.000 2.408 94 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 94 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 94 G C 1.459 176.306 174.900 -0.089 0.000 1.150 94 G CA 0.744 45.789 45.100 -0.092 0.000 0.776 94 G HN 0.211 nan 8.290 nan 0.000 0.542 95 V N 0.789 120.548 119.914 -0.258 0.000 2.358 95 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 95 V C 2.743 178.612 176.094 -0.374 0.000 1.047 95 V CA 1.806 63.829 62.300 -0.461 0.000 1.035 95 V CB -0.351 30.969 31.823 -0.839 0.000 0.658 95 V HN 0.319 nan 8.190 nan 0.000 0.452 96 E N -0.233 119.809 120.200 -0.263 0.000 2.058 96 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 96 E C 2.061 178.674 176.600 0.021 0.000 0.997 96 E CA 1.720 58.036 56.400 -0.140 0.000 0.801 96 E CB -0.398 29.252 29.700 -0.084 0.000 0.746 96 E HN 0.648 nan 8.360 nan 0.000 0.450 97 F N 1.387 121.293 119.950 -0.073 0.000 2.095 97 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 97 F C 2.263 178.080 175.800 0.028 0.000 1.104 97 F CA 1.292 59.280 58.000 -0.020 0.000 1.232 97 F CB -0.130 38.850 39.000 -0.033 0.000 0.987 97 F HN -0.082 nan 8.300 nan 0.000 0.475 98 L N -1.178 120.224 121.223 0.299 0.000 2.141 98 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 98 L C 2.411 179.452 176.870 0.284 0.000 1.094 98 L CA 1.038 56.045 54.840 0.278 0.000 0.763 98 L CB -0.760 41.458 42.059 0.264 0.000 0.908 98 L HN 0.173 nan 8.230 nan 0.000 0.437 99 F N 0.422 120.375 119.950 0.003 0.000 2.102 99 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 99 F C 2.770 178.537 175.800 -0.054 0.000 1.105 99 F CA 1.101 59.092 58.000 -0.015 0.000 1.239 99 F CB -0.010 38.975 39.000 -0.024 0.000 0.991 99 F HN -0.004 nan 8.300 nan 0.000 0.474 100 K N 1.088 121.545 120.400 0.094 0.000 2.057 100 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 100 K C 2.085 178.621 176.600 -0.108 0.000 1.050 100 K CA 1.540 57.799 56.287 -0.047 0.000 0.935 100 K CB -0.135 32.287 32.500 -0.130 0.000 0.715 100 K HN 0.052 nan 8.250 nan 0.000 0.439 101 K N 0.394 120.697 120.400 -0.161 0.000 2.057 101 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 101 K C 1.324 177.898 176.600 -0.043 0.000 1.049 101 K CA 1.639 57.842 56.287 -0.140 0.000 0.931 101 K CB 0.039 32.471 32.500 -0.113 0.000 0.714 101 K HN 0.175 nan 8.250 nan 0.000 0.440 102 N N -0.247 118.451 118.700 -0.004 0.000 2.336 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.189 102 N C 0.222 175.710 175.510 -0.037 0.000 1.113 102 N CA 0.938 53.985 53.050 -0.005 0.000 0.858 102 N CB 0.948 39.446 38.487 0.017 0.000 0.970 102 N HN 0.468 nan 8.380 nan 0.000 0.471 103 G N 1.618 110.392 108.800 -0.043 0.000 2.198 103 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 103 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 103 G C -0.027 174.831 174.900 -0.070 0.000 1.042 103 G CA -0.158 44.915 45.100 -0.044 0.000 0.791 103 G HN 0.310 nan 8.290 nan 0.000 0.502 104 I N 1.206 121.692 120.570 -0.140 0.000 2.371 104 I HA 0.514 4.684 4.170 -0.000 0.000 0.290 104 I C 1.020 177.022 176.117 -0.192 0.000 1.028 104 I CA -0.211 60.923 61.300 -0.276 0.000 1.345 104 I CB 1.427 39.022 38.000 -0.675 0.000 1.407 104 I HN 0.335 nan 8.210 nan 0.000 0.501 105 A N 7.746 130.493 122.820 -0.123 0.000 2.388 105 A HA 0.513 4.833 4.320 -0.000 0.000 0.257 105 A C -0.057 177.475 177.584 -0.087 0.000 1.095 105 A CA -0.347 51.657 52.037 -0.055 0.000 0.791 105 A CB 0.542 19.607 19.000 0.108 0.000 1.029 105 A HN 0.716 nan 8.150 nan 0.000 0.489 106 R N 1.915 122.364 120.500 -0.085 0.000 2.599 106 R HA 0.389 4.729 4.340 -0.000 0.000 0.295 106 R C -1.447 174.750 176.300 -0.171 0.000 0.963 106 R CA -0.399 55.706 56.100 0.009 0.000 0.883 106 R CB 0.946 31.340 30.300 0.156 0.000 1.171 106 R HN 0.975 nan 8.270 nan 0.000 0.450 107 H N 2.761 121.864 119.070 0.055 0.000 2.538 107 H HA 0.187 4.743 4.556 -0.000 0.000 0.353 107 H C -0.785 174.566 175.328 0.038 0.000 1.109 107 H CA -0.648 55.428 56.048 0.047 0.000 1.192 107 H CB 2.662 32.450 29.762 0.045 0.000 1.555 107 H HN 0.435 nan 8.280 nan 0.000 0.518 108 Q N 2.013 121.888 119.800 0.126 0.000 2.325 108 Q HA 0.520 4.859 4.340 -0.000 0.000 0.262 108 Q C -0.593 175.449 176.000 0.069 0.000 0.968 108 Q CA -0.660 55.189 55.803 0.076 0.000 0.877 108 Q CB 1.235 29.997 28.738 0.040 0.000 1.253 108 Q HN 1.010 nan 8.270 nan 0.000 0.448 109 G N 1.403 110.236 108.800 0.055 0.000 2.352 109 G HA2 0.019 3.979 3.960 -0.000 0.000 0.302 109 G HA3 0.019 3.979 3.960 -0.000 0.000 0.302 109 G C -1.294 173.625 174.900 0.032 0.000 1.370 109 G CA -0.900 44.224 45.100 0.040 0.000 0.918 109 G HN 0.378 nan 8.290 nan 0.000 0.610 110 T N 1.374 115.942 114.554 0.024 0.000 2.728 110 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 110 T C 0.762 175.457 174.700 -0.008 0.000 0.940 110 T CA 0.719 62.832 62.100 0.022 0.000 1.013 110 T CB 0.904 69.791 68.868 0.032 0.000 0.912 110 T HN 1.348 nan 8.240 nan 0.000 0.484 111 A N 4.557 127.357 122.820 -0.034 0.000 2.409 111 A HA 0.578 4.898 4.320 -0.000 0.000 0.262 111 A C 0.467 177.977 177.584 -0.123 0.000 1.113 111 A CA -0.357 51.618 52.037 -0.103 0.000 0.790 111 A CB 0.278 19.185 19.000 -0.155 0.000 1.046 111 A HN 0.812 nan 8.150 nan 0.000 0.496 112 R N 2.557 122.974 120.500 -0.138 0.000 2.538 112 R HA 0.447 4.787 4.340 -0.000 0.000 0.292 112 R C -1.631 174.612 176.300 -0.094 0.000 1.008 112 R CA -0.592 55.456 56.100 -0.086 0.000 0.896 112 R CB 0.871 31.163 30.300 -0.013 0.000 1.187 112 R HN 0.632 nan 8.270 nan 0.000 0.440 113 F N 4.302 124.258 119.950 0.010 0.000 2.578 113 F HA -0.025 4.502 4.527 -0.000 0.000 0.376 113 F C 1.117 176.924 175.800 0.012 0.000 1.085 113 F CA -0.142 57.867 58.000 0.015 0.000 1.260 113 F CB 0.669 39.677 39.000 0.013 0.000 1.095 113 F HN 0.482 nan 8.300 nan 0.000 0.573 114 L N 1.746 123.092 121.223 0.205 0.000 2.388 114 L HA 0.158 4.498 4.340 -0.000 0.000 0.209 114 L C 0.869 177.814 176.870 0.125 0.000 1.061 114 L CA 0.725 55.640 54.840 0.124 0.000 0.834 114 L CB -0.603 41.501 42.059 0.075 0.000 1.029 114 L HN 0.668 nan 8.230 nan 0.000 0.473 115 S N -2.192 113.608 115.700 0.168 0.000 2.819 115 S HA 0.237 4.707 4.470 -0.000 0.000 0.299 115 S C 0.632 175.335 174.600 0.172 0.000 1.192 115 S CA -0.045 58.229 58.200 0.124 0.000 0.847 115 S CB 0.781 64.033 63.200 0.086 0.000 1.224 115 S HN 0.230 nan 8.310 nan 0.000 0.537 116 E N 0.341 120.609 120.200 0.114 0.000 2.338 116 E HA -0.007 4.343 4.350 -0.000 0.000 0.197 116 E C 1.268 178.082 176.600 0.357 0.000 1.007 116 E CA 0.548 57.040 56.400 0.153 0.000 0.849 116 E CB -0.288 29.504 29.700 0.154 0.000 0.774 116 E HN 0.563 nan 8.360 nan 0.000 0.506 117 R N 0.149 120.795 120.500 0.244 0.000 2.509 117 R HA 0.291 4.631 4.340 -0.000 0.000 0.297 117 R C 0.020 176.412 176.300 0.153 0.000 0.951 117 R CA -0.162 56.049 56.100 0.185 0.000 1.103 117 R CB 0.671 30.987 30.300 0.027 0.000 1.283 117 R HN -0.083 nan 8.270 nan 0.000 0.534 118 K N 1.321 121.825 120.400 0.173 0.000 2.427 118 K HA 0.456 4.776 4.320 -0.000 0.000 0.252 118 K C -1.484 175.174 176.600 0.097 0.000 0.931 118 K CA -0.550 55.800 56.287 0.106 0.000 0.793 118 K CB 2.516 35.059 32.500 0.071 0.000 1.211 118 K HN -0.204 nan 8.250 nan 0.000 0.426 119 V N 4.561 124.477 119.914 0.004 0.000 2.577 119 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 119 V C -0.953 175.095 176.094 -0.076 0.000 1.042 119 V CA -1.022 61.219 62.300 -0.098 0.000 0.872 119 V CB 1.604 33.291 31.823 -0.226 0.000 0.998 119 V HN 0.684 nan 8.190 nan 0.000 0.423 120 L N 6.349 127.534 121.223 -0.063 0.000 2.276 120 L HA 0.569 4.909 4.340 -0.000 0.000 0.286 120 L C -0.196 176.641 176.870 -0.056 0.000 1.061 120 L CA 0.277 55.092 54.840 -0.042 0.000 0.807 120 L CB 1.514 43.564 42.059 -0.015 0.000 1.177 120 L HN 0.463 nan 8.230 nan 0.000 0.429 121 V N 6.555 126.442 119.914 -0.045 0.000 2.372 121 V HA 0.166 4.286 4.120 -0.000 0.000 0.261 121 V C 1.187 177.282 176.094 0.001 0.000 1.055 121 V CA -0.225 62.062 62.300 -0.022 0.000 0.930 121 V CB 0.281 32.105 31.823 0.000 0.000 1.031 121 V HN 0.897 nan 8.190 nan 0.000 0.479 122 E N 2.627 122.828 120.200 0.002 0.000 2.153 122 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 122 E C 1.441 178.050 176.600 0.015 0.000 0.988 122 E CA 1.224 57.629 56.400 0.008 0.000 0.811 122 E CB 0.344 30.049 29.700 0.008 0.000 0.746 122 E HN 0.752 nan 8.360 nan 0.000 0.466 123 E N -0.275 119.937 120.200 0.020 0.000 2.076 123 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 123 E C 2.143 178.759 176.600 0.026 0.000 0.979 123 E CA 1.656 58.069 56.400 0.022 0.000 0.807 123 E CB -0.136 29.579 29.700 0.024 0.000 0.761 123 E HN 0.297 nan 8.360 nan 0.000 0.454 124 T N -3.451 111.125 114.554 0.037 0.000 3.081 124 T HA 0.204 4.554 4.350 -0.000 0.000 0.255 124 T C 1.688 176.409 174.700 0.035 0.000 1.113 124 T CA 0.523 62.649 62.100 0.043 0.000 1.082 124 T CB 0.157 69.069 68.868 0.073 0.000 0.939 124 T HN 0.260 nan 8.240 nan 0.000 0.506 125 G N 1.340 110.156 108.800 0.026 0.000 2.189 125 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 125 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 125 G C -0.158 174.753 174.900 0.018 0.000 0.975 125 G CA 0.312 45.424 45.100 0.019 0.000 0.644 125 G HN 0.679 nan 8.290 nan 0.000 0.537 126 E N 0.831 121.048 120.200 0.027 0.000 2.384 126 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 126 E C 0.157 176.754 176.600 -0.005 0.000 1.012 126 E CA 0.177 56.592 56.400 0.025 0.000 0.901 126 E CB 0.500 30.235 29.700 0.059 0.000 0.967 126 E HN 0.541 nan 8.360 nan 0.000 0.435 127 E N 3.105 123.301 120.200 -0.006 0.000 2.133 127 E HA 0.298 4.648 4.350 -0.000 0.000 0.274 127 E C -0.724 175.863 176.600 -0.022 0.000 0.930 127 E CA -0.346 56.045 56.400 -0.014 0.000 0.770 127 E CB 1.092 30.790 29.700 -0.004 0.000 1.104 127 E HN 0.257 nan 8.360 nan 0.000 0.403 128 L N 2.760 123.965 121.223 -0.030 0.000 2.322 128 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 128 L C 0.034 176.922 176.870 0.029 0.000 1.014 128 L CA -0.652 54.183 54.840 -0.008 0.000 0.815 128 L CB 1.514 43.556 42.059 -0.028 0.000 1.247 128 L HN 0.438 nan 8.230 nan 0.000 0.421 129 E N 1.655 121.875 120.200 0.034 0.000 2.221 129 E HA 0.841 5.191 4.350 -0.000 0.000 0.268 129 E C -0.939 175.723 176.600 0.104 0.000 0.933 129 E CA -0.718 55.711 56.400 0.048 0.000 0.809 129 E CB 2.639 32.341 29.700 0.003 0.000 1.190 129 E HN 0.682 nan 8.360 nan 0.000 0.406 130 A N 1.370 124.252 122.820 0.104 0.000 2.606 130 A HA 0.376 4.696 4.320 -0.000 0.000 0.293 130 A C 0.134 177.741 177.584 0.038 0.000 1.082 130 A CA -0.631 51.484 52.037 0.132 0.000 0.685 130 A CB 1.625 20.748 19.000 0.204 0.000 1.284 130 A HN 0.718 nan 8.150 nan 0.000 0.408 131 R N -0.416 120.079 120.500 -0.008 0.000 2.073 131 R HA 0.044 4.384 4.340 -0.000 0.000 0.229 131 R C -0.593 175.514 176.300 -0.321 0.000 1.120 131 R CA 1.499 57.459 56.100 -0.232 0.000 0.967 131 R CB -0.118 30.021 30.300 -0.268 0.000 0.862 131 R HN 0.694 nan 8.270 nan 0.000 0.436 132 Y N -0.341 120.054 120.300 0.159 0.000 2.446 132 Y HA 0.493 5.043 4.550 -0.000 0.000 0.345 132 Y C -0.355 175.680 175.900 0.224 0.000 0.984 132 Y CA -1.081 57.166 58.100 0.245 0.000 1.058 132 Y CB 1.957 40.506 38.460 0.149 0.000 1.220 132 Y HN -0.107 nan 8.280 nan 0.000 0.455 133 I N 3.955 124.793 120.570 0.446 0.000 2.509 133 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 133 I C -1.451 174.849 176.117 0.304 0.000 1.020 133 I CA -0.994 60.498 61.300 0.319 0.000 1.088 133 I CB 2.152 40.373 38.000 0.368 0.000 1.267 133 I HN 0.331 nan 8.210 nan 0.000 0.430 134 L N 7.841 129.183 121.223 0.199 0.000 2.342 134 L HA 0.561 4.900 4.340 -0.000 0.000 0.276 134 L C -0.814 176.145 176.870 0.149 0.000 0.997 134 L CA -0.106 54.837 54.840 0.173 0.000 0.838 134 L CB 1.077 43.181 42.059 0.076 0.000 1.224 134 L HN 0.393 nan 8.230 nan 0.000 0.416 135 I N 5.551 126.231 120.570 0.183 0.000 2.337 135 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 135 I C 0.580 176.770 176.117 0.121 0.000 1.046 135 I CA 0.124 61.520 61.300 0.160 0.000 1.324 135 I CB 1.239 39.361 38.000 0.203 0.000 1.409 135 I HN 0.830 nan 8.210 nan 0.000 0.494 136 A N 3.742 126.622 122.820 0.100 0.000 3.176 136 A HA 0.247 4.567 4.320 -0.000 0.000 0.265 136 A C 0.913 178.551 177.584 0.090 0.000 0.936 136 A CA -0.370 51.718 52.037 0.085 0.000 1.033 136 A CB -0.351 18.690 19.000 0.070 0.000 1.158 136 A HN 0.732 nan 8.150 nan 0.000 0.485 137 T N -3.026 111.596 114.554 0.112 0.000 3.148 137 T HA 0.425 4.775 4.350 -0.000 0.000 0.253 137 T C 1.397 176.192 174.700 0.159 0.000 1.134 137 T CA 1.039 63.230 62.100 0.151 0.000 1.051 137 T CB -0.213 68.772 68.868 0.194 0.000 0.959 137 T HN 2.013 nan 8.240 nan 0.000 0.525 138 G N 1.706 110.573 108.800 0.111 0.000 2.539 138 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.256 138 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.256 138 G C -0.021 174.944 174.900 0.109 0.000 1.233 138 G CA 0.181 45.328 45.100 0.079 0.000 0.936 138 G HN 1.547 nan 8.290 nan 0.000 0.571 139 S N -1.266 114.474 115.700 0.067 0.000 2.732 139 S HA 1.032 5.502 4.470 -0.000 0.000 0.293 139 S C -0.233 174.377 174.600 0.017 0.000 1.159 139 S CA 0.505 58.755 58.200 0.083 0.000 0.847 139 S CB 1.697 64.927 63.200 0.050 0.000 1.169 139 S HN 2.676 nan 8.310 nan 0.000 0.501 140 A N 0.225 123.073 122.820 0.046 0.000 2.587 140 A HA 0.887 5.207 4.320 -0.000 0.000 0.293 140 A C -3.312 174.286 177.584 0.023 0.000 1.087 140 A CA -1.967 50.067 52.037 -0.004 0.000 0.692 140 A CB 0.672 19.689 19.000 0.029 0.000 1.291 140 A HN 0.579 nan 8.150 nan 0.000 0.407 141 P HA 0.192 nan 4.420 nan 0.000 0.264 141 P C -0.546 176.761 177.300 0.010 0.000 1.183 141 P CA 0.102 63.211 63.100 0.016 0.000 0.763 141 P CB 0.265 31.982 31.700 0.029 0.000 0.807 142 L N 5.586 126.804 121.223 -0.009 0.000 2.315 142 L HA 0.273 4.613 4.340 -0.000 0.000 0.283 142 L C -0.487 176.325 176.870 -0.097 0.000 1.089 142 L CA 0.425 55.241 54.840 -0.040 0.000 0.833 142 L CB -0.410 41.627 42.059 -0.036 0.000 1.170 142 L HN 0.268 nan 8.230 nan 0.000 0.442 143 I N 7.633 128.127 120.570 -0.127 0.000 2.428 143 I HA 0.318 4.488 4.170 -0.000 0.000 0.279 143 I C -1.938 173.984 176.117 -0.325 0.000 1.040 143 I CA -1.769 59.401 61.300 -0.217 0.000 1.171 143 I CB 0.950 38.861 38.000 -0.148 0.000 1.312 143 I HN 0.524 nan 8.210 nan 0.000 0.470 144 P HA 0.127 nan 4.420 nan 0.000 0.268 144 P C -2.019 174.864 177.300 -0.696 0.000 1.208 144 P CA -0.984 61.672 63.100 -0.740 0.000 0.777 144 P CB 0.058 30.910 31.700 -1.414 0.000 0.875 145 P HA -0.127 nan 4.420 nan 0.000 0.219 145 P C 1.051 178.265 177.300 -0.143 0.000 1.146 145 P CA 1.244 64.213 63.100 -0.219 0.000 0.808 145 P CB -0.358 31.290 31.700 -0.086 0.000 0.779 146 W N -0.807 120.477 121.300 -0.027 0.000 2.800 146 W HA 0.401 5.061 4.660 -0.000 0.000 0.249 146 W C -0.017 176.483 176.519 -0.032 0.000 1.294 146 W CA -0.095 57.233 57.345 -0.028 0.000 1.402 146 W CB -0.848 28.593 29.460 -0.030 0.000 1.126 146 W HN -0.122 nan 8.180 nan 0.000 0.652 147 A N 2.510 125.223 122.820 -0.179 0.000 2.316 147 A HA 0.319 4.639 4.320 -0.000 0.000 0.311 147 A C -0.005 177.513 177.584 -0.109 0.000 1.339 147 A CA -0.476 51.503 52.037 -0.098 0.000 0.960 147 A CB 0.073 18.855 19.000 -0.364 0.000 1.152 147 A HN 0.314 nan 8.150 nan 0.000 0.547 148 Q N 2.239 122.018 119.800 -0.034 0.000 2.553 148 Q HA 0.272 4.612 4.340 -0.000 0.000 0.221 148 Q C -0.704 175.226 176.000 -0.118 0.000 1.219 148 Q CA -0.258 55.506 55.803 -0.064 0.000 0.955 148 Q CB 0.899 29.624 28.738 -0.021 0.000 1.399 148 Q HN 0.539 nan 8.270 nan 0.000 0.551 149 V N 3.553 123.340 119.914 -0.210 0.000 2.427 149 V HA -0.013 4.107 4.120 -0.000 0.000 0.268 149 V C 0.679 176.507 176.094 -0.444 0.000 1.046 149 V CA 0.071 62.146 62.300 -0.375 0.000 0.970 149 V CB 0.780 32.274 31.823 -0.549 0.000 1.001 149 V HN 0.720 nan 8.190 nan 0.000 0.476 150 D N 3.330 123.543 120.400 -0.311 0.000 2.395 150 D HA -0.012 4.628 4.640 -0.000 0.000 0.213 150 D C 0.505 176.785 176.300 -0.033 0.000 1.110 150 D CA -0.490 53.423 54.000 -0.145 0.000 0.835 150 D CB -0.295 40.480 40.800 -0.041 0.000 0.965 150 D HN 0.561 nan 8.370 nan 0.000 0.505 151 Y N -0.243 120.064 120.300 0.011 0.000 4.324 151 Y HA -0.323 4.227 4.550 -0.000 0.000 0.224 151 Y C 1.176 177.094 175.900 0.030 0.000 1.113 151 Y CA 1.226 59.336 58.100 0.016 0.000 1.887 151 Y CB -2.096 36.366 38.460 0.003 0.000 1.602 151 Y HN 0.201 nan 8.280 nan 0.000 0.654 152 E N -1.066 119.193 120.200 0.099 0.000 3.312 152 E HA 0.195 4.545 4.350 -0.000 0.000 0.178 152 E C 1.760 178.390 176.600 0.050 0.000 1.204 152 E CA -0.282 56.167 56.400 0.081 0.000 1.335 152 E CB 0.149 29.881 29.700 0.052 0.000 1.680 152 E HN 0.020 nan 8.360 nan 0.000 0.503 153 R N 0.624 121.127 120.500 0.004 0.000 2.128 153 R HA 0.207 4.547 4.340 -0.000 0.000 0.211 153 R C 0.330 176.615 176.300 -0.025 0.000 1.067 153 R CA 0.488 56.570 56.100 -0.030 0.000 1.010 153 R CB 0.365 30.641 30.300 -0.040 0.000 0.922 153 R HN 0.054 nan 8.270 nan 0.000 0.457 154 V N 3.007 122.901 119.914 -0.032 0.000 2.347 154 V HA 0.336 4.456 4.120 -0.000 0.000 0.280 154 V C 0.147 176.194 176.094 -0.079 0.000 1.021 154 V CA -0.768 61.505 62.300 -0.044 0.000 0.847 154 V CB 1.464 33.248 31.823 -0.065 0.000 0.990 154 V HN 0.013 nan 8.190 nan 0.000 0.444 155 V N 1.925 121.829 119.914 -0.018 0.000 3.141 155 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 155 V C 0.017 176.118 176.094 0.012 0.000 1.157 155 V CA -0.335 61.971 62.300 0.011 0.000 1.041 155 V CB 2.116 34.020 31.823 0.135 0.000 1.071 155 V HN 0.822 nan 8.190 nan 0.000 0.441 156 T N -1.145 113.446 114.554 0.061 0.000 2.893 156 T HA 0.412 4.762 4.350 -0.000 0.000 0.279 156 T C 1.375 176.097 174.700 0.036 0.000 0.991 156 T CA 0.231 62.368 62.100 0.061 0.000 0.950 156 T CB 1.030 69.967 68.868 0.115 0.000 1.223 156 T HN 1.625 nan 8.240 nan 0.000 0.585 157 S N -0.188 115.526 115.700 0.023 0.000 2.400 157 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 157 S C 1.963 176.546 174.600 -0.028 0.000 1.025 157 S CA 1.601 59.801 58.200 0.000 0.000 0.993 157 S CB -1.630 61.575 63.200 0.007 0.000 0.808 157 S HN 0.795 nan 8.310 nan 0.000 0.478 158 T N 2.365 116.910 114.554 -0.014 0.000 2.684 158 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 158 T C 1.683 176.347 174.700 -0.061 0.000 1.036 158 T CA 1.901 63.982 62.100 -0.032 0.000 1.148 158 T CB -0.432 68.421 68.868 -0.025 0.000 0.863 158 T HN 0.535 nan 8.240 nan 0.000 0.436 159 E N 1.100 121.267 120.200 -0.054 0.000 2.216 159 E HA 0.204 4.553 4.350 -0.000 0.000 0.192 159 E C 2.209 178.556 176.600 -0.422 0.000 0.988 159 E CA 0.697 57.034 56.400 -0.104 0.000 0.834 159 E CB -0.346 29.374 29.700 0.033 0.000 0.772 159 E HN 0.464 nan 8.360 nan 0.000 0.479 160 A N 0.376 122.910 122.820 -0.478 0.000 2.119 160 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 160 A C 1.822 179.198 177.584 -0.347 0.000 1.153 160 A CA 0.636 52.149 52.037 -0.874 0.000 0.692 160 A CB -0.424 18.398 19.000 -0.297 0.000 0.799 160 A HN 0.206 nan 8.150 nan 0.000 0.458 161 L N -0.780 120.352 121.223 -0.153 0.000 2.552 161 L HA 0.043 4.383 4.340 -0.000 0.000 0.227 161 L C 0.794 177.698 176.870 0.057 0.000 1.146 161 L CA 0.671 55.507 54.840 -0.007 0.000 0.858 161 L CB 0.200 42.240 42.059 -0.032 0.000 0.969 161 L HN 0.234 nan 8.230 nan 0.000 0.451 162 S N -1.291 114.398 115.700 -0.018 0.000 3.073 162 S HA 0.294 4.764 4.470 -0.000 0.000 0.252 162 S C 0.073 174.731 174.600 0.097 0.000 0.953 162 S CA -0.635 57.603 58.200 0.064 0.000 1.105 162 S CB 0.063 63.273 63.200 0.015 0.000 1.070 162 S HN 0.046 nan 8.310 nan 0.000 0.574 163 F N 3.460 123.472 119.950 0.102 0.000 2.623 163 F HA 0.087 4.614 4.527 -0.000 0.000 0.383 163 F C -0.749 175.038 175.800 -0.022 0.000 1.077 163 F CA -1.484 56.428 58.000 -0.148 0.000 1.268 163 F CB 0.573 39.160 39.000 -0.689 0.000 1.053 163 F HN 0.146 nan 8.300 nan 0.000 0.571 164 P HA -0.101 nan 4.420 nan 0.000 0.233 164 P C -0.328 177.024 177.300 0.087 0.000 1.167 164 P CA 1.208 64.374 63.100 0.110 0.000 0.770 164 P CB 0.157 31.898 31.700 0.068 0.000 0.837 165 E N -1.456 118.771 120.200 0.044 0.000 2.445 165 E HA 0.217 4.567 4.350 -0.000 0.000 0.279 165 E C -1.198 175.381 176.600 -0.036 0.000 1.018 165 E CA -1.125 55.298 56.400 0.038 0.000 0.816 165 E CB 1.171 30.869 29.700 -0.004 0.000 1.356 165 E HN -0.307 nan 8.360 nan 0.000 0.462 166 V N 2.714 122.667 119.914 0.064 0.000 2.521 166 V HA 0.188 4.308 4.120 -0.000 0.000 0.286 166 V C -1.828 174.183 176.094 -0.137 0.000 1.034 166 V CA -0.863 61.472 62.300 0.060 0.000 1.045 166 V CB 0.197 32.151 31.823 0.218 0.000 0.974 166 V HN 0.517 nan 8.190 nan 0.000 0.480 167 P HA 0.137 nan 4.420 nan 0.000 0.271 167 P C 0.470 177.680 177.300 -0.151 0.000 1.226 167 P CA -0.317 62.577 63.100 -0.344 0.000 0.765 167 P CB 1.002 32.349 31.700 -0.588 0.000 0.835 168 K N 3.557 123.891 120.400 -0.111 0.000 2.063 168 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 168 K C 0.453 177.030 176.600 -0.038 0.000 1.048 168 K CA 1.179 57.436 56.287 -0.050 0.000 0.928 168 K CB 0.182 32.656 32.500 -0.043 0.000 0.713 168 K HN 0.434 nan 8.250 nan 0.000 0.442 169 R N 0.616 121.073 120.500 -0.072 0.000 2.513 169 R HA 0.323 4.663 4.340 -0.000 0.000 0.301 169 R C -1.631 174.613 176.300 -0.092 0.000 0.968 169 R CA -0.807 55.262 56.100 -0.051 0.000 0.872 169 R CB 1.780 32.056 30.300 -0.040 0.000 1.177 169 R HN 0.009 nan 8.270 nan 0.000 0.444 170 L N 4.463 125.655 121.223 -0.052 0.000 2.362 170 L HA 0.577 4.917 4.340 -0.000 0.000 0.275 170 L C -1.227 175.641 176.870 -0.003 0.000 0.998 170 L CA -0.415 54.391 54.840 -0.058 0.000 0.820 170 L CB 1.630 43.676 42.059 -0.022 0.000 1.270 170 L HN 0.579 nan 8.230 nan 0.000 0.415 171 I N 5.475 126.044 120.570 -0.003 0.000 2.354 171 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 171 I C -0.712 175.431 176.117 0.044 0.000 0.989 171 I CA -0.898 60.414 61.300 0.020 0.000 1.188 171 I CB 1.899 39.907 38.000 0.014 0.000 1.342 171 I HN 0.270 nan 8.210 nan 0.000 0.457 172 V N 7.351 127.295 119.914 0.049 0.000 2.350 172 V HA 0.225 4.345 4.120 -0.000 0.000 0.276 172 V C 0.115 176.245 176.094 0.061 0.000 1.028 172 V CA -0.687 61.649 62.300 0.060 0.000 0.860 172 V CB 1.473 33.326 31.823 0.049 0.000 0.990 172 V HN 0.382 nan 8.190 nan 0.000 0.453 173 V N 4.841 124.804 119.914 0.082 0.000 2.353 173 V HA 0.804 4.924 4.120 -0.000 0.000 0.264 173 V C 0.722 176.881 176.094 0.109 0.000 1.049 173 V CA 0.484 62.850 62.300 0.110 0.000 0.896 173 V CB 0.344 32.270 31.823 0.171 0.000 1.025 173 V HN 1.242 nan 8.190 nan 0.000 0.475 174 G N 3.583 112.441 108.800 0.097 0.000 3.014 174 G HA2 0.240 4.200 3.960 -0.000 0.000 0.683 174 G HA3 0.240 4.200 3.960 -0.000 0.000 0.683 174 G C 0.065 175.000 174.900 0.058 0.000 1.271 174 G CA -0.484 44.670 45.100 0.089 0.000 0.843 174 G HN 1.085 nan 8.290 nan 0.000 0.612 175 G N 0.388 109.222 108.800 0.057 0.000 3.707 175 G HA2 0.655 4.615 3.960 -0.000 0.000 0.286 175 G HA3 0.655 4.615 3.960 -0.000 0.000 0.286 175 G C 0.873 175.793 174.900 0.033 0.000 1.112 175 G CA 0.979 46.101 45.100 0.036 0.000 0.861 175 G HN 1.279 nan 8.290 nan 0.000 0.534 176 G N -0.587 108.234 108.800 0.034 0.000 2.563 176 G HA2 0.330 4.290 3.960 -0.000 0.000 0.283 176 G HA3 0.330 4.290 3.960 -0.000 0.000 0.283 176 G C 1.176 176.085 174.900 0.014 0.000 1.309 176 G CA -0.031 45.087 45.100 0.031 0.000 1.022 176 G HN 0.020 nan 8.290 nan 0.000 0.501 177 V N 0.168 120.092 119.914 0.016 0.000 2.255 177 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 177 V C 2.837 178.936 176.094 0.008 0.000 1.051 177 V CA 1.792 64.098 62.300 0.010 0.000 1.018 177 V CB -0.763 31.069 31.823 0.014 0.000 0.641 177 V HN 0.587 nan 8.190 nan 0.000 0.445 178 I N 0.684 121.265 120.570 0.018 0.000 2.179 178 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 178 I C 2.570 178.697 176.117 0.017 0.000 1.088 178 I CA 1.832 63.146 61.300 0.022 0.000 1.357 178 I CB -0.887 37.127 38.000 0.024 0.000 1.051 178 I HN 0.412 nan 8.210 nan 0.000 0.409 179 G N 0.541 109.350 108.800 0.015 0.000 2.403 179 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 179 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 179 G C 1.611 176.500 174.900 -0.017 0.000 1.154 179 G CA 0.269 45.380 45.100 0.019 0.000 0.784 179 G HN 0.187 nan 8.290 nan 0.000 0.538 180 L N 0.704 121.887 121.223 -0.066 0.000 2.027 180 L HA 0.078 4.418 4.340 -0.000 0.000 0.206 180 L C 2.667 179.424 176.870 -0.190 0.000 1.074 180 L CA 1.832 56.560 54.840 -0.186 0.000 0.745 180 L CB -0.690 41.232 42.059 -0.229 0.000 0.898 180 L HN 0.325 nan 8.230 nan 0.000 0.433 181 E N -0.637 119.507 120.200 -0.093 0.000 2.058 181 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 181 E C 2.216 178.796 176.600 -0.033 0.000 0.997 181 E CA 1.754 58.127 56.400 -0.046 0.000 0.801 181 E CB -0.299 29.410 29.700 0.016 0.000 0.746 181 E HN 0.485 nan 8.360 nan 0.000 0.450 182 L N 0.063 121.293 121.223 0.011 0.000 2.156 182 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 182 L C 2.554 179.529 176.870 0.175 0.000 1.095 182 L CA 0.837 55.726 54.840 0.083 0.000 0.770 182 L CB -0.598 41.541 42.059 0.133 0.000 0.914 182 L HN 0.227 nan 8.230 nan 0.000 0.439 183 G N -0.043 108.814 108.800 0.096 0.000 2.446 183 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 183 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 183 G C 1.596 176.537 174.900 0.068 0.000 1.168 183 G CA 0.974 46.130 45.100 0.093 0.000 0.771 183 G HN 0.173 nan 8.290 nan 0.000 0.551 184 V N 0.358 120.240 119.914 -0.053 0.000 2.343 184 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 184 V C 3.036 179.095 176.094 -0.058 0.000 1.051 184 V CA 1.364 63.630 62.300 -0.056 0.000 1.036 184 V CB -0.272 31.487 31.823 -0.105 0.000 0.654 184 V HN 0.243 nan 8.190 nan 0.000 0.451 185 V N -1.074 118.768 119.914 -0.121 0.000 2.282 185 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 185 V C 2.066 177.949 176.094 -0.352 0.000 1.057 185 V CA 2.558 64.672 62.300 -0.310 0.000 1.032 185 V CB -0.687 30.837 31.823 -0.498 0.000 0.645 185 V HN 0.683 nan 8.190 nan 0.000 0.447 186 W N -1.178 120.151 121.300 0.048 0.000 2.523 186 W HA -0.007 4.653 4.660 -0.000 0.000 0.278 186 W C 2.529 179.072 176.519 0.039 0.000 1.236 186 W CA 0.883 58.272 57.345 0.073 0.000 1.306 186 W CB -0.458 29.091 29.460 0.148 0.000 1.101 186 W HN 0.379 nan 8.180 nan 0.000 0.577 187 H N 0.852 119.991 119.070 0.115 0.000 2.352 187 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 187 H C 2.079 177.356 175.328 -0.085 0.000 1.097 187 H CA 2.041 58.098 56.048 0.015 0.000 1.311 187 H CB -0.052 29.684 29.762 -0.044 0.000 1.377 187 H HN -0.045 nan 8.280 nan 0.000 0.504 188 R N -0.291 119.997 120.500 -0.354 0.000 2.152 188 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 188 R C 1.712 177.928 176.300 -0.140 0.000 1.117 188 R CA 1.374 57.176 56.100 -0.496 0.000 0.981 188 R CB -0.041 30.017 30.300 -0.405 0.000 0.870 188 R HN 0.379 nan 8.270 nan 0.000 0.451 189 L N -0.953 120.234 121.223 -0.059 0.000 2.611 189 L HA 0.243 4.583 4.340 -0.000 0.000 0.229 189 L C 0.977 177.892 176.870 0.076 0.000 1.137 189 L CA 0.321 55.186 54.840 0.042 0.000 0.901 189 L CB 0.603 42.720 42.059 0.097 0.000 1.098 189 L HN 0.469 nan 8.230 nan 0.000 0.456 190 G N -0.220 108.594 108.800 0.024 0.000 2.192 190 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 190 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 190 G C 0.342 175.278 174.900 0.060 0.000 0.999 190 G CA -0.198 44.919 45.100 0.029 0.000 0.659 190 G HN 0.383 nan 8.290 nan 0.000 0.503 191 A N 0.450 123.336 122.820 0.111 0.000 2.425 191 A HA 0.589 4.909 4.320 -0.000 0.000 0.249 191 A C 0.408 178.089 177.584 0.161 0.000 1.084 191 A CA 0.144 52.259 52.037 0.129 0.000 0.781 191 A CB 0.234 19.348 19.000 0.189 0.000 1.019 191 A HN 0.433 nan 8.150 nan 0.000 0.490 192 E N 1.263 121.532 120.200 0.114 0.000 2.180 192 E HA 0.367 4.717 4.350 -0.000 0.000 0.283 192 E C -1.012 175.648 176.600 0.100 0.000 1.061 192 E CA -0.205 56.268 56.400 0.123 0.000 0.861 192 E CB 1.037 30.779 29.700 0.071 0.000 1.056 192 E HN 0.356 nan 8.360 nan 0.000 0.407 193 V N 5.618 125.600 119.914 0.113 0.000 2.495 193 V HA 0.412 4.532 4.120 -0.000 0.000 0.298 193 V C -0.047 176.058 176.094 0.017 0.000 1.031 193 V CA -0.642 61.698 62.300 0.066 0.000 0.871 193 V CB 1.330 33.202 31.823 0.082 0.000 0.988 193 V HN 0.563 nan 8.190 nan 0.000 0.432 194 I N 4.656 125.235 120.570 0.015 0.000 2.465 194 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 194 I C -0.748 175.374 176.117 0.007 0.000 1.014 194 I CA -0.852 60.452 61.300 0.006 0.000 1.093 194 I CB 2.210 40.215 38.000 0.010 0.000 1.267 194 I HN 0.265 nan 8.210 nan 0.000 0.431 195 V N 7.248 127.162 119.914 -0.000 0.000 2.417 195 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 195 V C -0.148 175.957 176.094 0.018 0.000 1.024 195 V CA -0.524 61.779 62.300 0.004 0.000 0.861 195 V CB 1.713 33.523 31.823 -0.021 0.000 0.985 195 V HN 0.460 nan 8.190 nan 0.000 0.436 196 L N 4.297 125.539 121.223 0.032 0.000 2.313 196 L HA 0.762 5.102 4.340 -0.000 0.000 0.283 196 L C -0.447 176.460 176.870 0.061 0.000 1.013 196 L CA -0.422 54.441 54.840 0.039 0.000 0.816 196 L CB 1.824 43.905 42.059 0.036 0.000 1.236 196 L HN 0.601 nan 8.230 nan 0.000 0.419 197 E N 1.255 121.494 120.200 0.064 0.000 2.275 197 E HA 0.151 4.501 4.350 -0.000 0.000 0.270 197 E C -0.382 176.286 176.600 0.112 0.000 0.882 197 E CA -0.577 55.878 56.400 0.092 0.000 0.758 197 E CB 1.345 31.085 29.700 0.068 0.000 1.195 197 E HN 0.388 nan 8.360 nan 0.000 0.419 198 Y N 4.891 125.205 120.300 0.023 0.000 2.184 198 Y HA 0.139 4.689 4.550 -0.000 0.000 0.290 198 Y C 0.711 176.621 175.900 0.016 0.000 1.129 198 Y CA 1.316 59.424 58.100 0.013 0.000 1.144 198 Y CB 0.163 38.638 38.460 0.024 0.000 0.995 198 Y HN 0.557 nan 8.280 nan 0.000 0.513 199 M N 1.207 120.791 119.600 -0.027 0.000 2.167 199 M HA 0.007 4.487 4.480 -0.000 0.000 0.300 199 M C 0.988 177.231 176.300 -0.097 0.000 1.171 199 M CA 0.624 55.859 55.300 -0.109 0.000 1.171 199 M CB 0.266 32.878 32.600 0.021 0.000 1.396 199 M HN 0.300 nan 8.290 nan 0.000 0.466 200 D N 0.622 120.969 120.400 -0.088 0.000 2.324 200 D HA 0.016 4.656 4.640 -0.000 0.000 0.235 200 D C -0.074 176.216 176.300 -0.016 0.000 1.095 200 D CA 0.150 54.115 54.000 -0.060 0.000 0.871 200 D CB -0.065 40.699 40.800 -0.060 0.000 0.906 200 D HN 0.613 nan 8.370 nan 0.000 0.522 201 R N -0.658 119.844 120.500 0.003 0.000 2.712 201 R HA 0.494 4.834 4.340 -0.000 0.000 0.272 201 R C -0.570 175.756 176.300 0.042 0.000 1.032 201 R CA -1.076 55.040 56.100 0.027 0.000 0.874 201 R CB 0.508 30.827 30.300 0.033 0.000 1.256 201 R HN 0.045 nan 8.270 nan 0.000 0.468 202 I N -1.205 119.399 120.570 0.058 0.000 2.918 202 I HA 0.424 4.594 4.170 -0.000 0.000 0.316 202 I C 0.199 176.358 176.117 0.070 0.000 1.001 202 I CA -1.322 60.017 61.300 0.066 0.000 1.142 202 I CB 0.856 38.905 38.000 0.082 0.000 1.356 202 I HN 0.719 nan 8.210 nan 0.000 0.524 203 L N 1.037 122.299 121.223 0.065 0.000 3.823 203 L HA -0.142 4.198 4.340 -0.000 0.000 0.525 203 L C -1.615 175.289 176.870 0.057 0.000 1.247 203 L CA -0.427 54.449 54.840 0.060 0.000 0.776 203 L CB -1.415 40.687 42.059 0.073 0.000 1.443 203 L HN 0.668 nan 8.230 nan 0.000 0.831 204 P HA -0.160 nan 4.420 nan 0.000 0.225 204 P C 1.437 178.770 177.300 0.055 0.000 1.148 204 P CA 1.804 64.937 63.100 0.055 0.000 0.779 204 P CB 0.001 31.735 31.700 0.056 0.000 0.780 205 T N -5.013 109.570 114.554 0.048 0.000 3.067 205 T HA 0.080 4.430 4.350 -0.000 0.000 0.261 205 T C 1.168 175.900 174.700 0.053 0.000 1.110 205 T CA 0.104 62.231 62.100 0.045 0.000 1.113 205 T CB -0.464 68.421 68.868 0.028 0.000 0.917 205 T HN -0.146 nan 8.240 nan 0.000 0.499 206 M N 2.507 122.142 119.600 0.059 0.000 2.202 206 M HA 0.278 4.758 4.480 -0.000 0.000 0.316 206 M C 0.491 176.875 176.300 0.139 0.000 1.138 206 M CA -0.757 54.592 55.300 0.081 0.000 1.151 206 M CB 0.123 32.764 32.600 0.069 0.000 1.422 206 M HN 0.257 nan 8.290 nan 0.000 0.471 207 D N 0.937 121.484 120.400 0.246 0.000 2.472 207 D HA -0.042 4.598 4.640 -0.000 0.000 0.237 207 D C 0.814 177.201 176.300 0.145 0.000 1.141 207 D CA -0.256 53.883 54.000 0.232 0.000 0.875 207 D CB 1.097 42.083 40.800 0.310 0.000 1.192 207 D HN 0.320 nan 8.370 nan 0.000 0.450 208 L N 4.145 125.427 121.223 0.098 0.000 2.042 208 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 208 L C 2.384 179.309 176.870 0.090 0.000 1.076 208 L CA 1.679 56.566 54.840 0.079 0.000 0.749 208 L CB -0.762 41.329 42.059 0.054 0.000 0.893 208 L HN 0.633 nan 8.230 nan 0.000 0.432 209 E N -1.078 119.185 120.200 0.104 0.000 2.085 209 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 209 E C 2.190 178.930 176.600 0.232 0.000 0.994 209 E CA 1.530 58.013 56.400 0.138 0.000 0.801 209 E CB 0.053 29.828 29.700 0.124 0.000 0.743 209 E HN 0.296 nan 8.360 nan 0.000 0.453 210 V N 0.067 120.127 119.914 0.243 0.000 2.358 210 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 210 V C 2.302 178.447 176.094 0.085 0.000 1.047 210 V CA 1.732 64.129 62.300 0.160 0.000 1.035 210 V CB -0.376 31.511 31.823 0.107 0.000 0.658 210 V HN 0.231 nan 8.190 nan 0.000 0.452 211 S N -0.425 115.330 115.700 0.092 0.000 2.365 211 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 211 S C 2.127 176.769 174.600 0.070 0.000 1.039 211 S CA 1.653 59.900 58.200 0.078 0.000 1.033 211 S CB -0.318 62.928 63.200 0.076 0.000 0.887 211 S HN 0.509 nan 8.310 nan 0.000 0.447 212 R N 0.807 121.350 120.500 0.071 0.000 2.081 212 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 212 R C 2.589 178.917 176.300 0.046 0.000 1.131 212 R CA 1.262 57.396 56.100 0.056 0.000 0.960 212 R CB -0.500 29.831 30.300 0.052 0.000 0.856 212 R HN 0.415 nan 8.270 nan 0.000 0.436 213 A N 1.177 124.037 122.820 0.066 0.000 1.930 213 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 213 A C 2.356 179.894 177.584 -0.077 0.000 1.175 213 A CA 1.583 53.642 52.037 0.037 0.000 0.627 213 A CB -0.517 18.564 19.000 0.135 0.000 0.815 213 A HN 0.392 nan 8.150 nan 0.000 0.443 214 A N -0.190 122.579 122.820 -0.086 0.000 1.877 214 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 214 A C 2.020 179.521 177.584 -0.139 0.000 1.186 214 A CA 1.882 53.793 52.037 -0.210 0.000 0.620 214 A CB -0.608 18.391 19.000 -0.001 0.000 0.822 214 A HN 0.671 nan 8.150 nan 0.000 0.443 215 E N -0.351 119.880 120.200 0.052 0.000 2.085 215 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 215 E C 2.272 178.900 176.600 0.046 0.000 0.994 215 E CA 1.307 57.775 56.400 0.113 0.000 0.801 215 E CB -0.128 29.624 29.700 0.086 0.000 0.743 215 E HN 0.574 nan 8.360 nan 0.000 0.453 216 R N -0.161 120.333 120.500 -0.010 0.000 2.091 216 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 216 R C 2.453 178.719 176.300 -0.057 0.000 1.136 216 R CA 1.503 57.590 56.100 -0.020 0.000 0.959 216 R CB -0.257 30.030 30.300 -0.021 0.000 0.856 216 R HN 0.153 nan 8.270 nan 0.000 0.437 217 V N 0.286 120.098 119.914 -0.170 0.000 2.358 217 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 217 V C 1.932 177.921 176.094 -0.175 0.000 1.047 217 V CA 1.773 63.926 62.300 -0.245 0.000 1.035 217 V CB -0.478 31.069 31.823 -0.460 0.000 0.658 217 V HN 0.238 nan 8.190 nan 0.000 0.452 218 F N 0.059 120.003 119.950 -0.011 0.000 2.259 218 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 218 F C 2.423 178.193 175.800 -0.051 0.000 1.088 218 F CA 1.144 59.123 58.000 -0.035 0.000 1.358 218 F CB -0.239 38.734 39.000 -0.046 0.000 1.040 218 F HN 0.030 nan 8.300 nan 0.000 0.505 219 K N 0.570 121.049 120.400 0.132 0.000 2.057 219 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 219 K C 2.079 178.715 176.600 0.060 0.000 1.050 219 K CA 1.171 57.500 56.287 0.070 0.000 0.935 219 K CB -0.187 32.344 32.500 0.052 0.000 0.715 219 K HN 0.099 nan 8.250 nan 0.000 0.439 220 K N 1.281 121.713 120.400 0.053 0.000 2.097 220 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 220 K C 1.958 178.622 176.600 0.106 0.000 1.049 220 K CA 1.471 57.794 56.287 0.060 0.000 0.933 220 K CB 0.104 32.625 32.500 0.035 0.000 0.717 220 K HN 0.189 nan 8.250 nan 0.000 0.442 221 Q N -1.404 118.479 119.800 0.137 0.000 2.291 221 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 221 Q C 0.893 177.057 176.000 0.273 0.000 0.970 221 Q CA 1.008 56.959 55.803 0.247 0.000 0.876 221 Q CB 0.379 29.290 28.738 0.288 0.000 0.935 221 Q HN 0.641 nan 8.270 nan 0.000 0.455 222 G N -0.404 108.449 108.800 0.089 0.000 2.183 222 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.168 222 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.168 222 G C -0.407 174.408 174.900 -0.141 0.000 1.008 222 G CA -0.616 44.528 45.100 0.074 0.000 0.677 222 G HN 0.059 nan 8.290 nan 0.000 0.498 223 L N 1.892 122.937 121.223 -0.297 0.000 2.417 223 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 223 L C 0.952 177.784 176.870 -0.063 0.000 1.158 223 L CA 0.360 55.060 54.840 -0.232 0.000 0.819 223 L CB 1.105 43.028 42.059 -0.226 0.000 1.112 223 L HN 0.081 nan 8.230 nan 0.000 0.458 224 T N 4.112 118.646 114.554 -0.034 0.000 2.743 224 T HA 0.514 4.864 4.350 -0.000 0.000 0.293 224 T C -0.158 174.541 174.700 -0.001 0.000 0.945 224 T CA -0.182 61.917 62.100 -0.002 0.000 1.030 224 T CB 0.251 69.123 68.868 0.007 0.000 0.912 224 T HN 0.151 nan 8.240 nan 0.000 0.483 225 I N 4.238 124.817 120.570 0.015 0.000 2.389 225 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 225 I C 0.249 176.379 176.117 0.021 0.000 0.999 225 I CA -0.718 60.595 61.300 0.022 0.000 1.129 225 I CB 1.563 39.592 38.000 0.048 0.000 1.288 225 I HN 0.497 nan 8.210 nan 0.000 0.444 226 R N 3.852 124.363 120.500 0.017 0.000 2.422 226 R HA 0.437 4.777 4.340 -0.000 0.000 0.307 226 R C 0.051 176.359 176.300 0.014 0.000 1.004 226 R CA -0.501 55.607 56.100 0.013 0.000 0.882 226 R CB 2.039 32.344 30.300 0.009 0.000 1.164 226 R HN 0.736 nan 8.270 nan 0.000 0.489 227 T N -1.771 112.788 114.554 0.008 0.000 2.862 227 T HA 0.472 4.822 4.350 -0.000 0.000 0.276 227 T C 1.119 175.803 174.700 -0.027 0.000 0.974 227 T CA 0.060 62.159 62.100 -0.002 0.000 0.966 227 T CB 1.623 70.489 68.868 -0.003 0.000 1.072 227 T HN 0.710 nan 8.240 nan 0.000 0.538 228 G N -0.423 108.337 108.800 -0.068 0.000 2.225 228 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.267 228 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.267 228 G C -0.119 174.738 174.900 -0.071 0.000 1.024 228 G CA 0.098 45.126 45.100 -0.119 0.000 0.784 228 G HN 1.094 nan 8.290 nan 0.000 0.507 229 V N 0.031 119.940 119.914 -0.009 0.000 2.444 229 V HA 0.549 4.669 4.120 -0.000 0.000 0.294 229 V C 0.535 176.698 176.094 0.115 0.000 1.022 229 V CA -0.931 61.388 62.300 0.032 0.000 0.850 229 V CB 1.796 33.628 31.823 0.014 0.000 0.992 229 V HN 0.436 nan 8.190 nan 0.000 0.426 230 R N 3.961 124.531 120.500 0.116 0.000 2.198 230 R HA 0.574 4.914 4.340 -0.000 0.000 0.339 230 R C -0.951 175.261 176.300 -0.146 0.000 1.020 230 R CA -0.369 55.775 56.100 0.074 0.000 0.864 230 R CB 1.250 31.607 30.300 0.094 0.000 1.105 230 R HN 0.562 nan 8.270 nan 0.000 0.463 231 V N 4.647 124.398 119.914 -0.270 0.000 2.555 231 V HA 0.046 4.166 4.120 -0.000 0.000 0.286 231 V C 1.291 176.856 176.094 -0.881 0.000 1.044 231 V CA 0.339 62.364 62.300 -0.457 0.000 1.026 231 V CB 1.325 32.905 31.823 -0.405 0.000 0.981 231 V HN 1.034 nan 8.190 nan 0.000 0.480 232 T N 0.794 114.967 114.554 -0.635 0.000 2.990 232 T HA 0.594 4.944 4.350 -0.000 0.000 0.250 232 T C 0.358 174.795 174.700 -0.437 0.000 1.041 232 T CA 0.476 62.201 62.100 -0.625 0.000 1.010 232 T CB 0.546 69.233 68.868 -0.302 0.000 1.003 232 T HN 1.027 nan 8.240 nan 0.000 0.499 233 A N 0.430 123.105 122.820 -0.242 0.000 2.589 233 A HA 0.681 5.001 4.320 -0.000 0.000 0.296 233 A C -1.686 175.976 177.584 0.131 0.000 1.062 233 A CA -0.718 51.361 52.037 0.070 0.000 0.686 233 A CB 1.722 20.748 19.000 0.044 0.000 1.282 233 A HN 0.275 nan 8.150 nan 0.000 0.404 234 V N 1.540 121.602 119.914 0.247 0.000 2.525 234 V HA 0.628 4.748 4.120 -0.000 0.000 0.299 234 V C -0.766 175.381 176.094 0.089 0.000 1.034 234 V CA -0.518 61.874 62.300 0.154 0.000 0.863 234 V CB 1.519 33.458 31.823 0.194 0.000 0.999 234 V HN 0.831 nan 8.190 nan 0.000 0.423 235 V N 6.615 126.556 119.914 0.045 0.000 2.638 235 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 235 V C -2.433 173.663 176.094 0.002 0.000 1.052 235 V CA -1.938 60.375 62.300 0.021 0.000 0.885 235 V CB 2.587 34.422 31.823 0.021 0.000 0.999 235 V HN 0.683 nan 8.190 nan 0.000 0.424 236 P HA 0.356 nan 4.420 nan 0.000 0.271 236 P C -0.585 176.708 177.300 -0.013 0.000 1.218 236 P CA -0.018 63.072 63.100 -0.016 0.000 0.780 236 P CB 1.265 32.952 31.700 -0.022 0.000 0.901 237 E N 0.220 120.410 120.200 -0.017 0.000 2.428 237 E HA 0.512 4.862 4.350 -0.000 0.000 0.259 237 E C 1.180 177.769 176.600 -0.018 0.000 0.930 237 E CA -1.002 55.389 56.400 -0.015 0.000 0.823 237 E CB 1.037 30.727 29.700 -0.017 0.000 1.403 237 E HN 0.253 nan 8.360 nan 0.000 0.415 238 A N 1.118 123.929 122.820 -0.016 0.000 1.892 238 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 238 A C 1.213 178.784 177.584 -0.021 0.000 1.188 238 A CA 2.136 54.163 52.037 -0.015 0.000 0.631 238 A CB -0.408 18.585 19.000 -0.013 0.000 0.822 238 A HN 0.479 nan 8.150 nan 0.000 0.447 239 K N -2.345 118.039 120.400 -0.027 0.000 3.165 239 K HA 0.523 4.843 4.320 -0.000 0.000 0.206 239 K C 0.139 176.710 176.600 -0.049 0.000 1.123 239 K CA 0.157 56.422 56.287 -0.036 0.000 0.978 239 K CB 0.098 32.578 32.500 -0.032 0.000 0.749 239 K HN 0.559 nan 8.250 nan 0.000 0.454 240 G N 0.152 108.923 108.800 -0.049 0.000 2.393 240 G HA2 0.590 4.550 3.960 -0.000 0.000 0.264 240 G HA3 0.590 4.550 3.960 -0.000 0.000 0.264 240 G C -1.851 173.021 174.900 -0.047 0.000 1.221 240 G CA -0.257 44.808 45.100 -0.059 0.000 0.912 240 G HN 0.444 nan 8.290 nan 0.000 0.483 241 A N -0.670 122.125 122.820 -0.043 0.000 2.605 241 A HA 0.853 5.173 4.320 -0.000 0.000 0.294 241 A C -0.572 177.001 177.584 -0.020 0.000 1.062 241 A CA -0.032 51.989 52.037 -0.028 0.000 0.682 241 A CB 1.446 20.429 19.000 -0.028 0.000 1.278 241 A HN 1.562 nan 8.150 nan 0.000 0.410 242 R N 0.136 120.631 120.500 -0.008 0.000 2.732 242 R HA 0.857 5.197 4.340 -0.000 0.000 0.278 242 R C -1.604 174.699 176.300 0.006 0.000 0.976 242 R CA -0.745 55.352 56.100 -0.005 0.000 0.963 242 R CB 1.806 32.103 30.300 -0.006 0.000 1.150 242 R HN 0.387 nan 8.270 nan 0.000 0.478 243 V N 2.035 121.949 119.914 0.001 0.000 2.409 243 V HA 0.258 4.378 4.120 -0.000 0.000 0.290 243 V C -0.543 175.537 176.094 -0.022 0.000 1.017 243 V CA -0.787 61.514 62.300 0.002 0.000 0.841 243 V CB 1.367 33.194 31.823 0.007 0.000 1.003 243 V HN 0.804 nan 8.190 nan 0.000 0.426 244 E N 4.815 124.992 120.200 -0.039 0.000 2.249 244 E HA 0.638 4.988 4.350 -0.000 0.000 0.280 244 E C -0.997 175.541 176.600 -0.103 0.000 1.016 244 E CA -0.483 55.881 56.400 -0.059 0.000 0.830 244 E CB 1.883 31.550 29.700 -0.054 0.000 1.081 244 E HN 0.505 nan 8.360 nan 0.000 0.395 245 L N 1.667 122.840 121.223 -0.084 0.000 2.330 245 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 245 L C 0.378 177.196 176.870 -0.088 0.000 1.013 245 L CA -0.954 53.829 54.840 -0.095 0.000 0.816 245 L CB 1.359 43.383 42.059 -0.058 0.000 1.287 245 L HN 0.589 nan 8.230 nan 0.000 0.435 246 E N 0.872 121.016 120.200 -0.092 0.000 2.480 246 E HA 0.188 4.538 4.350 -0.000 0.000 0.258 246 E C 0.872 177.447 176.600 -0.041 0.000 0.984 246 E CA 1.054 57.414 56.400 -0.067 0.000 0.930 246 E CB 0.282 29.952 29.700 -0.050 0.000 0.936 246 E HN 0.774 nan 8.360 nan 0.000 0.466 247 G N 2.743 111.521 108.800 -0.036 0.000 2.218 247 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 247 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 247 G C 0.810 175.696 174.900 -0.024 0.000 0.994 247 G CA 0.083 45.168 45.100 -0.025 0.000 0.637 247 G HN 1.573 nan 8.290 nan 0.000 0.505 248 G N -0.364 108.417 108.800 -0.030 0.000 2.284 248 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.201 248 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.201 248 G C 0.054 174.939 174.900 -0.025 0.000 0.998 248 G CA 1.028 46.112 45.100 -0.026 0.000 0.651 248 G HN 1.237 nan 8.290 nan 0.000 0.489 249 E N 0.776 120.960 120.200 -0.026 0.000 2.384 249 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 249 E C -0.365 176.219 176.600 -0.025 0.000 1.012 249 E CA -0.095 56.291 56.400 -0.022 0.000 0.901 249 E CB 0.833 30.521 29.700 -0.020 0.000 0.967 249 E HN 0.164 nan 8.360 nan 0.000 0.435 250 V N 6.418 126.321 119.914 -0.020 0.000 2.444 250 V HA 0.321 4.440 4.120 -0.000 0.000 0.294 250 V C -0.093 175.992 176.094 -0.015 0.000 1.022 250 V CA -0.711 61.578 62.300 -0.019 0.000 0.850 250 V CB 1.319 33.133 31.823 -0.016 0.000 0.992 250 V HN 0.622 nan 8.190 nan 0.000 0.426 251 L N 3.982 125.196 121.223 -0.014 0.000 2.334 251 L HA 0.657 4.997 4.340 -0.000 0.000 0.275 251 L C 0.003 176.865 176.870 -0.012 0.000 1.036 251 L CA -0.449 54.384 54.840 -0.011 0.000 0.807 251 L CB 1.910 43.964 42.059 -0.009 0.000 1.231 251 L HN 0.612 nan 8.230 nan 0.000 0.438 252 E N 1.020 121.212 120.200 -0.014 0.000 2.238 252 E HA 0.805 5.155 4.350 -0.000 0.000 0.267 252 E C -1.174 175.411 176.600 -0.026 0.000 0.887 252 E CA -0.582 55.807 56.400 -0.019 0.000 0.769 252 E CB 2.568 32.257 29.700 -0.019 0.000 1.187 252 E HN 0.671 nan 8.360 nan 0.000 0.416 253 A N 1.942 124.740 122.820 -0.038 0.000 2.602 253 A HA 0.304 4.624 4.320 -0.000 0.000 0.290 253 A C -0.318 177.215 177.584 -0.084 0.000 1.114 253 A CA -0.618 51.385 52.037 -0.057 0.000 0.683 253 A CB 1.201 20.168 19.000 -0.055 0.000 1.281 253 A HN 0.680 nan 8.150 nan 0.000 0.416 254 D N 0.060 120.386 120.400 -0.123 0.000 2.162 254 D HA 0.021 4.661 4.640 -0.000 0.000 0.203 254 D C 0.008 176.176 176.300 -0.220 0.000 0.967 254 D CA 1.031 54.932 54.000 -0.165 0.000 0.840 254 D CB 0.263 40.943 40.800 -0.200 0.000 0.972 254 D HN 0.317 nan 8.370 nan 0.000 0.482 255 R N 0.263 120.605 120.500 -0.263 0.000 2.725 255 R HA 0.547 4.887 4.340 -0.000 0.000 0.277 255 R C -0.959 175.265 176.300 -0.127 0.000 0.987 255 R CA -0.739 55.199 56.100 -0.270 0.000 0.901 255 R CB 2.492 32.406 30.300 -0.644 0.000 1.207 255 R HN -0.216 nan 8.270 nan 0.000 0.463 256 V N 3.009 122.899 119.914 -0.039 0.000 2.531 256 V HA 0.324 4.444 4.120 -0.000 0.000 0.301 256 V C -0.700 175.434 176.094 0.066 0.000 1.034 256 V CA -0.941 61.368 62.300 0.015 0.000 0.865 256 V CB 1.990 33.824 31.823 0.017 0.000 0.995 256 V HN 0.515 nan 8.190 nan 0.000 0.424 257 L N 7.009 128.289 121.223 0.095 0.000 2.257 257 L HA 0.574 4.914 4.340 -0.000 0.000 0.290 257 L C -0.262 176.652 176.870 0.073 0.000 1.044 257 L CA 0.168 55.071 54.840 0.105 0.000 0.810 257 L CB 1.450 43.590 42.059 0.135 0.000 1.193 257 L HN 0.442 nan 8.230 nan 0.000 0.425 258 V N 6.117 126.059 119.914 0.046 0.000 2.339 258 V HA 0.601 4.721 4.120 -0.000 0.000 0.261 258 V C 0.693 176.804 176.094 0.027 0.000 1.058 258 V CA 0.170 62.491 62.300 0.035 0.000 0.897 258 V CB 0.474 32.283 31.823 -0.023 0.000 1.052 258 V HN 0.942 nan 8.190 nan 0.000 0.480 259 A N 4.384 127.232 122.820 0.047 0.000 3.297 259 A HA 0.508 4.828 4.320 -0.000 0.000 0.304 259 A C 0.529 178.142 177.584 0.049 0.000 0.963 259 A CA -0.045 52.016 52.037 0.040 0.000 0.935 259 A CB 0.794 19.820 19.000 0.043 0.000 1.093 259 A HN 0.992 nan 8.150 nan 0.000 0.480 260 V N -2.448 117.493 119.914 0.046 0.000 3.596 260 V HA 0.632 4.752 4.120 -0.000 0.000 0.289 260 V C 0.696 176.817 176.094 0.044 0.000 1.336 260 V CA 0.475 62.814 62.300 0.065 0.000 1.137 260 V CB -0.829 31.048 31.823 0.090 0.000 0.966 260 V HN 1.634 nan 8.190 nan 0.000 0.428 261 G N 0.170 108.987 108.800 0.028 0.000 2.369 261 G HA2 0.283 4.243 3.960 -0.000 0.000 0.307 261 G HA3 0.283 4.243 3.960 -0.000 0.000 0.307 261 G C -1.207 173.702 174.900 0.015 0.000 1.327 261 G CA -0.996 44.119 45.100 0.024 0.000 0.963 261 G HN 0.385 nan 8.290 nan 0.000 0.590 262 R N -0.635 119.876 120.500 0.017 0.000 2.744 262 R HA 0.726 5.066 4.340 -0.000 0.000 0.279 262 R C -0.277 176.038 176.300 0.026 0.000 0.977 262 R CA -0.972 55.140 56.100 0.020 0.000 0.906 262 R CB 2.701 33.012 30.300 0.018 0.000 1.197 262 R HN 0.606 nan 8.270 nan 0.000 0.463 263 R N 2.243 122.767 120.500 0.039 0.000 2.562 263 R HA 0.422 4.762 4.340 -0.000 0.000 0.298 263 R C -2.510 173.835 176.300 0.075 0.000 0.961 263 R CA -2.062 54.066 56.100 0.045 0.000 0.881 263 R CB 1.508 31.831 30.300 0.040 0.000 1.159 263 R HN 0.283 nan 8.270 nan 0.000 0.450 264 P HA -0.128 nan 4.420 nan 0.000 0.264 264 P C -1.589 175.783 177.300 0.120 0.000 1.183 264 P CA 0.443 63.592 63.100 0.081 0.000 0.763 264 P CB 0.146 31.873 31.700 0.045 0.000 0.807 265 Y N 2.883 123.192 120.300 0.015 0.000 2.342 265 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 265 Y C 0.681 176.597 175.900 0.027 0.000 0.965 265 Y CA -0.023 58.087 58.100 0.017 0.000 1.159 265 Y CB 1.045 39.514 38.460 0.014 0.000 1.157 265 Y HN 0.401 nan 8.280 nan 0.000 0.486 266 T N 0.665 114.982 114.554 -0.395 0.000 3.275 266 T HA 0.166 4.516 4.350 -0.000 0.000 0.298 266 T C -0.034 174.426 174.700 -0.401 0.000 0.988 266 T CA -0.517 61.417 62.100 -0.277 0.000 0.936 266 T CB -0.285 68.526 68.868 -0.095 0.000 1.159 266 T HN 0.677 nan 8.240 nan 0.000 0.519 267 E N 1.187 120.892 120.200 -0.825 0.000 2.415 267 E HA 0.381 4.731 4.350 -0.000 0.000 0.263 267 E C 1.338 177.784 176.600 -0.257 0.000 0.995 267 E CA 1.043 57.140 56.400 -0.504 0.000 0.915 267 E CB -0.241 29.137 29.700 -0.537 0.000 0.951 267 E HN 0.587 nan 8.360 nan 0.000 0.449 268 G N 3.771 112.504 108.800 -0.111 0.000 2.162 268 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 268 G C 0.481 175.374 174.900 -0.010 0.000 0.976 268 G CA 0.360 45.439 45.100 -0.035 0.000 0.655 268 G HN 0.547 nan 8.290 nan 0.000 0.533 269 L N 1.112 122.330 121.223 -0.007 0.000 2.446 269 L HA 0.458 4.798 4.340 -0.000 0.000 0.219 269 L C 1.629 178.597 176.870 0.162 0.000 1.116 269 L CA 1.716 56.593 54.840 0.061 0.000 0.844 269 L CB -0.218 41.895 42.059 0.090 0.000 0.970 269 L HN 0.683 nan 8.230 nan 0.000 0.457 270 S N -0.262 115.499 115.700 0.101 0.000 3.524 270 S HA -0.227 4.243 4.470 -0.000 0.000 0.377 270 S C 1.393 176.086 174.600 0.155 0.000 0.949 270 S CA 0.661 58.925 58.200 0.108 0.000 1.264 270 S CB -1.864 61.398 63.200 0.104 0.000 0.918 270 S HN 0.461 nan 8.310 nan 0.000 0.517 271 L N 0.912 122.199 121.223 0.106 0.000 2.081 271 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 271 L C 2.856 179.657 176.870 -0.114 0.000 1.080 271 L CA 2.027 56.858 54.840 -0.016 0.000 0.754 271 L CB -0.441 41.600 42.059 -0.029 0.000 0.893 271 L HN 0.680 nan 8.230 nan 0.000 0.433 272 E N 0.186 120.356 120.200 -0.049 0.000 2.171 272 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 272 E C 1.392 177.958 176.600 -0.057 0.000 0.997 272 E CA 1.689 58.056 56.400 -0.054 0.000 0.810 272 E CB -0.687 28.998 29.700 -0.026 0.000 0.738 272 E HN 0.516 nan 8.360 nan 0.000 0.467 273 N N 1.326 120.011 118.700 -0.024 0.000 2.381 273 N HA -0.019 4.721 4.740 -0.000 0.000 0.182 273 N C 1.440 176.912 175.510 -0.063 0.000 1.025 273 N CA 1.428 54.478 53.050 -0.000 0.000 0.888 273 N CB -0.148 38.390 38.487 0.085 0.000 0.965 273 N HN 0.413 nan 8.380 nan 0.000 0.438 274 A N -0.422 122.255 122.820 -0.240 0.000 2.275 274 A HA 0.462 4.782 4.320 -0.000 0.000 0.212 274 A C 1.362 178.791 177.584 -0.258 0.000 1.201 274 A CA 0.567 52.373 52.037 -0.385 0.000 0.843 274 A CB -0.168 18.206 19.000 -1.044 0.000 0.873 274 A HN 0.241 nan 8.150 nan 0.000 0.492 275 G N -0.944 107.748 108.800 -0.179 0.000 2.149 275 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 275 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 275 G C -0.115 174.701 174.900 -0.140 0.000 1.018 275 G CA 0.391 45.415 45.100 -0.126 0.000 0.728 275 G HN 0.454 nan 8.290 nan 0.000 0.508 276 L N 0.257 121.376 121.223 -0.173 0.000 2.319 276 L HA 0.884 5.224 4.340 -0.000 0.000 0.267 276 L C 0.566 177.374 176.870 -0.103 0.000 1.011 276 L CA -0.460 54.289 54.840 -0.153 0.000 0.818 276 L CB 2.279 44.210 42.059 -0.212 0.000 1.316 276 L HN 0.468 nan 8.230 nan 0.000 0.432 277 S N -1.346 114.308 115.700 -0.077 0.000 2.607 277 S HA 0.692 5.162 4.470 -0.000 0.000 0.273 277 S C -0.627 173.948 174.600 -0.042 0.000 1.148 277 S CA -0.756 57.413 58.200 -0.053 0.000 0.833 277 S CB 1.826 65.000 63.200 -0.044 0.000 1.130 277 S HN 0.654 nan 8.310 nan 0.000 0.470 278 T N -0.622 113.912 114.554 -0.032 0.000 2.934 278 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 278 T C -0.184 174.503 174.700 -0.022 0.000 1.005 278 T CA -0.546 61.540 62.100 -0.024 0.000 1.041 278 T CB 0.616 69.470 68.868 -0.022 0.000 1.042 278 T HN 0.789 nan 8.240 nan 0.000 0.505 279 D N 0.879 121.269 120.400 -0.018 0.000 2.425 279 D HA 0.178 4.818 4.640 -0.000 0.000 0.274 279 D C 0.969 177.262 176.300 -0.012 0.000 1.242 279 D CA -0.575 53.416 54.000 -0.015 0.000 1.060 279 D CB 0.127 40.919 40.800 -0.014 0.000 1.112 279 D HN 0.544 nan 8.370 nan 0.000 0.561 280 E N -1.283 118.911 120.200 -0.009 0.000 2.204 280 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 280 E C 1.809 178.406 176.600 -0.005 0.000 0.989 280 E CA 0.963 57.359 56.400 -0.006 0.000 0.824 280 E CB -0.081 29.617 29.700 -0.003 0.000 0.756 280 E HN 0.322 nan 8.360 nan 0.000 0.477 281 R N -0.922 119.576 120.500 -0.003 0.000 2.317 281 R HA 0.195 4.535 4.340 -0.000 0.000 0.208 281 R C 0.803 177.104 176.300 0.000 0.000 0.914 281 R CA 0.535 56.636 56.100 0.000 0.000 1.060 281 R CB 0.612 30.913 30.300 0.002 0.000 1.015 281 R HN 0.260 nan 8.270 nan 0.000 0.498 282 G N 1.434 110.231 108.800 -0.004 0.000 2.175 282 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 282 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 282 G C 0.040 174.939 174.900 -0.001 0.000 0.982 282 G CA -0.273 44.823 45.100 -0.006 0.000 0.641 282 G HN 0.255 nan 8.290 nan 0.000 0.527 283 R N -0.287 120.213 120.500 -0.000 0.000 2.582 283 R HA 0.588 4.928 4.340 -0.000 0.000 0.271 283 R C 0.504 176.803 176.300 -0.002 0.000 1.078 283 R CA -0.384 55.718 56.100 0.003 0.000 1.127 283 R CB 0.787 31.086 30.300 -0.001 0.000 1.038 283 R HN 0.279 nan 8.270 nan 0.000 0.500 284 I N 3.905 124.478 120.570 0.004 0.000 2.312 284 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 284 I C -1.977 174.134 176.117 -0.010 0.000 1.031 284 I CA -2.270 59.028 61.300 -0.004 0.000 1.293 284 I CB 1.159 39.166 38.000 0.011 0.000 1.403 284 I HN 0.231 nan 8.210 nan 0.000 0.484 285 P HA 0.072 nan 4.420 nan 0.000 0.267 285 P C -0.742 176.540 177.300 -0.030 0.000 1.205 285 P CA -0.016 63.068 63.100 -0.026 0.000 0.765 285 P CB 0.645 32.327 31.700 -0.030 0.000 0.828 286 V N -0.240 119.658 119.914 -0.026 0.000 3.130 286 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 286 V C -0.357 175.721 176.094 -0.027 0.000 1.158 286 V CA -1.167 61.115 62.300 -0.029 0.000 1.029 286 V CB 2.120 33.940 31.823 -0.005 0.000 1.057 286 V HN 0.461 nan 8.190 nan 0.000 0.436 287 D N 0.615 120.998 120.400 -0.028 0.000 2.507 287 D HA 0.222 4.862 4.640 -0.000 0.000 0.280 287 D C 0.937 177.229 176.300 -0.013 0.000 1.219 287 D CA 0.113 54.106 54.000 -0.010 0.000 1.085 287 D CB 0.365 41.171 40.800 0.010 0.000 1.134 287 D HN 0.831 nan 8.370 nan 0.000 0.583 288 E N -1.688 118.497 120.200 -0.026 0.000 2.418 288 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 288 E C 0.695 177.118 176.600 -0.295 0.000 1.026 288 E CA 0.814 57.139 56.400 -0.125 0.000 0.862 288 E CB -0.423 29.186 29.700 -0.152 0.000 0.799 288 E HN 0.468 nan 8.360 nan 0.000 0.518 289 H N 0.498 119.501 119.070 -0.111 0.000 2.520 289 H HA 0.271 4.827 4.556 -0.000 0.000 0.284 289 H C 0.437 175.731 175.328 -0.057 0.000 1.037 289 H CA 0.259 56.173 56.048 -0.223 0.000 1.168 289 H CB 0.551 29.879 29.762 -0.723 0.000 1.497 289 H HN 0.097 nan 8.280 nan 0.000 0.547 290 L N 0.178 121.440 121.223 0.066 0.000 4.560 290 L HA -0.261 4.079 4.340 -0.000 0.000 0.415 290 L C 0.106 176.985 176.870 0.016 0.000 1.123 290 L CA 0.576 55.484 54.840 0.113 0.000 0.991 290 L CB -1.424 40.767 42.059 0.220 0.000 2.127 290 L HN 0.224 nan 8.230 nan 0.000 0.765 291 R N 0.790 121.163 120.500 -0.212 0.000 2.390 291 R HA 0.436 4.776 4.340 -0.000 0.000 0.291 291 R C 1.103 177.277 176.300 -0.211 0.000 1.070 291 R CA 0.385 56.208 56.100 -0.461 0.000 1.014 291 R CB 0.914 30.934 30.300 -0.467 0.000 1.007 291 R HN 0.251 nan 8.270 nan 0.000 0.466 292 T N -0.931 113.508 114.554 -0.192 0.000 2.715 292 T HA 0.034 4.384 4.350 -0.000 0.000 0.320 292 T C 1.317 175.935 174.700 -0.136 0.000 1.046 292 T CA -0.506 61.517 62.100 -0.128 0.000 0.983 292 T CB 0.559 69.356 68.868 -0.120 0.000 1.183 292 T HN 0.771 nan 8.240 nan 0.000 0.522 293 R N -0.504 119.929 120.500 -0.112 0.000 2.237 293 R HA 0.106 4.446 4.340 -0.000 0.000 0.219 293 R C 0.098 176.332 176.300 -0.110 0.000 1.080 293 R CA 0.406 56.449 56.100 -0.095 0.000 0.995 293 R CB -0.583 29.671 30.300 -0.076 0.000 0.875 293 R HN 0.373 nan 8.270 nan 0.000 0.462 294 V N 3.527 123.347 119.914 -0.157 0.000 2.353 294 V HA 0.159 4.279 4.120 -0.000 0.000 0.264 294 V C -1.638 174.315 176.094 -0.235 0.000 1.049 294 V CA -1.699 60.484 62.300 -0.194 0.000 0.896 294 V CB 1.519 33.174 31.823 -0.280 0.000 1.025 294 V HN 0.093 nan 8.190 nan 0.000 0.475 295 P HA -0.160 nan 4.420 nan 0.000 0.219 295 P C 1.186 178.473 177.300 -0.022 0.000 1.146 295 P CA 1.279 64.330 63.100 -0.083 0.000 0.808 295 P CB -0.018 31.692 31.700 0.016 0.000 0.779 296 H N -1.941 117.178 119.070 0.082 0.000 2.539 296 H HA 0.225 4.781 4.556 -0.000 0.000 0.267 296 H C 0.298 175.854 175.328 0.380 0.000 0.982 296 H CA -0.090 56.124 56.048 0.277 0.000 1.146 296 H CB -0.373 29.422 29.762 0.054 0.000 1.382 296 H HN 0.144 nan 8.280 nan 0.000 0.577 297 I N 1.891 122.378 120.570 -0.137 0.000 2.362 297 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 297 I C -0.938 175.216 176.117 0.061 0.000 0.994 297 I CA -0.913 60.408 61.300 0.035 0.000 1.158 297 I CB 1.030 38.937 38.000 -0.155 0.000 1.315 297 I HN -0.085 nan 8.210 nan 0.000 0.451 298 Y N 4.243 124.597 120.300 0.090 0.000 2.567 298 Y HA 0.803 5.353 4.550 -0.000 0.000 0.333 298 Y C 0.290 176.234 175.900 0.073 0.000 1.106 298 Y CA -0.930 57.218 58.100 0.080 0.000 1.157 298 Y CB 1.942 40.458 38.460 0.092 0.000 1.277 298 Y HN 0.564 nan 8.280 nan 0.000 0.490 299 A N 2.247 125.193 122.820 0.211 0.000 2.486 299 A HA 0.890 5.209 4.320 -0.000 0.000 0.300 299 A C -1.264 176.395 177.584 0.125 0.000 1.048 299 A CA -0.606 51.518 52.037 0.144 0.000 0.696 299 A CB 1.157 20.213 19.000 0.093 0.000 1.278 299 A HN 0.763 nan 8.150 nan 0.000 0.405 300 I N -1.568 119.063 120.570 0.101 0.000 3.195 300 I HA 0.919 5.089 4.170 -0.000 0.000 0.313 300 I C 0.459 176.613 176.117 0.060 0.000 1.237 300 I CA -0.267 61.082 61.300 0.081 0.000 0.963 300 I CB 1.872 39.915 38.000 0.071 0.000 1.278 300 I HN 2.074 nan 8.210 nan 0.000 0.460 301 G N 2.571 111.399 108.800 0.048 0.000 2.553 301 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.242 301 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.242 301 G C 0.017 174.934 174.900 0.029 0.000 1.277 301 G CA 0.664 45.782 45.100 0.029 0.000 0.910 301 G HN 0.862 nan 8.290 nan 0.000 0.576 302 D N -0.550 119.865 120.400 0.025 0.000 2.309 302 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 302 D C 2.329 178.654 176.300 0.040 0.000 0.968 302 D CA 1.179 55.195 54.000 0.026 0.000 0.882 302 D CB -0.028 40.789 40.800 0.027 0.000 0.918 302 D HN 0.427 nan 8.370 nan 0.000 0.503 303 V N 0.253 120.198 119.914 0.053 0.000 3.217 303 V HA -0.016 4.104 4.120 -0.000 0.000 0.264 303 V C 0.791 176.909 176.094 0.040 0.000 1.135 303 V CA 0.460 62.795 62.300 0.058 0.000 1.142 303 V CB 0.077 31.947 31.823 0.078 0.000 0.754 303 V HN 0.042 nan 8.190 nan 0.000 0.484 304 V N -0.759 119.174 119.914 0.032 0.000 3.204 304 V HA 0.647 4.767 4.120 -0.000 0.000 0.316 304 V C 0.356 176.448 176.094 -0.003 0.000 1.160 304 V CA -1.275 61.034 62.300 0.016 0.000 1.044 304 V CB 1.423 33.260 31.823 0.024 0.000 1.136 304 V HN 0.422 nan 8.190 nan 0.000 0.455 305 R N 1.426 121.911 120.500 -0.025 0.000 2.811 305 R HA 0.585 4.925 4.340 -0.000 0.000 0.265 305 R C 0.285 176.539 176.300 -0.077 0.000 1.026 305 R CA 0.921 56.990 56.100 -0.051 0.000 1.142 305 R CB -0.746 29.510 30.300 -0.073 0.000 1.027 305 R HN 2.623 nan 8.270 nan 0.000 0.465 306 G N 0.909 109.657 108.800 -0.086 0.000 2.541 306 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 306 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 306 G C -2.850 172.026 174.900 -0.040 0.000 1.286 306 G CA -0.734 44.303 45.100 -0.105 0.000 0.894 306 G HN 0.600 nan 8.290 nan 0.000 0.575 307 P HA 0.318 nan 4.420 nan 0.000 0.264 307 P C 0.362 177.647 177.300 -0.026 0.000 1.193 307 P CA 0.213 63.305 63.100 -0.013 0.000 0.763 307 P CB 0.338 32.037 31.700 -0.002 0.000 0.810 308 M N 4.109 123.694 119.600 -0.026 0.000 3.213 308 M HA 0.196 4.675 4.480 -0.000 0.000 0.275 308 M C -0.515 175.750 176.300 -0.060 0.000 1.424 308 M CA 0.389 55.672 55.300 -0.029 0.000 1.561 308 M CB -0.635 31.959 32.600 -0.010 0.000 1.109 308 M HN 0.185 nan 8.290 nan 0.000 0.552 309 L N -0.295 120.858 121.223 -0.118 0.000 2.370 309 L HA 0.629 4.969 4.340 -0.000 0.000 0.266 309 L C 1.045 177.767 176.870 -0.248 0.000 1.002 309 L CA -0.669 54.032 54.840 -0.230 0.000 0.818 309 L CB 1.707 43.497 42.059 -0.449 0.000 1.325 309 L HN 0.495 nan 8.230 nan 0.000 0.418 310 A N 0.999 123.697 122.820 -0.202 0.000 1.877 310 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 310 A C 1.989 179.513 177.584 -0.099 0.000 1.186 310 A CA 1.855 53.835 52.037 -0.095 0.000 0.620 310 A CB -0.908 18.090 19.000 -0.002 0.000 0.822 310 A HN 0.972 nan 8.150 nan 0.000 0.443 311 H N -1.506 117.554 119.070 -0.016 0.000 2.495 311 H HA 0.028 4.584 4.556 -0.000 0.000 0.287 311 H C 1.742 177.041 175.328 -0.048 0.000 1.033 311 H CA 1.244 57.267 56.048 -0.042 0.000 1.307 311 H CB -0.219 29.518 29.762 -0.042 0.000 1.401 311 H HN 0.412 nan 8.280 nan 0.000 0.555 312 K N 1.918 122.194 120.400 -0.207 0.000 2.025 312 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 312 K C 2.333 178.912 176.600 -0.035 0.000 1.049 312 K CA 1.270 57.515 56.287 -0.071 0.000 0.933 312 K CB -0.356 32.103 32.500 -0.069 0.000 0.714 312 K HN 0.306 nan 8.250 nan 0.000 0.438 313 A N 1.295 124.081 122.820 -0.057 0.000 1.883 313 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 313 A C 2.286 179.842 177.584 -0.047 0.000 1.186 313 A CA 2.663 54.680 52.037 -0.033 0.000 0.624 313 A CB -0.850 18.127 19.000 -0.038 0.000 0.822 313 A HN 0.621 nan 8.150 nan 0.000 0.444 314 S N -0.366 115.292 115.700 -0.071 0.000 2.368 314 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 314 S C 1.652 176.207 174.600 -0.075 0.000 1.029 314 S CA 1.288 59.427 58.200 -0.102 0.000 0.988 314 S CB -0.431 62.695 63.200 -0.122 0.000 0.838 314 S HN 0.547 nan 8.310 nan 0.000 0.462 315 E N 1.491 121.655 120.200 -0.059 0.000 2.153 315 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 315 E C 2.076 178.633 176.600 -0.072 0.000 0.988 315 E CA 1.088 57.442 56.400 -0.076 0.000 0.811 315 E CB -0.272 29.365 29.700 -0.105 0.000 0.746 315 E HN 0.754 nan 8.360 nan 0.000 0.466 316 E N -0.062 120.110 120.200 -0.047 0.000 2.107 316 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 316 E C 2.122 178.722 176.600 0.000 0.000 0.982 316 E CA 0.747 57.143 56.400 -0.006 0.000 0.809 316 E CB -0.151 29.578 29.700 0.048 0.000 0.756 316 E HN 0.262 nan 8.360 nan 0.000 0.459 317 G N 1.726 110.512 108.800 -0.022 0.000 2.421 317 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 317 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 317 G C 1.534 176.406 174.900 -0.047 0.000 1.171 317 G CA 0.468 45.547 45.100 -0.036 0.000 0.775 317 G HN 0.080 nan 8.290 nan 0.000 0.543 318 I N 1.880 122.424 120.570 -0.045 0.000 2.179 318 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 318 I C 3.264 179.375 176.117 -0.010 0.000 1.088 318 I CA 1.365 62.645 61.300 -0.032 0.000 1.357 318 I CB -1.333 36.649 38.000 -0.029 0.000 1.051 318 I HN 0.270 nan 8.210 nan 0.000 0.409 319 A N 0.706 123.528 122.820 0.004 0.000 1.930 319 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 319 A C 2.565 180.193 177.584 0.073 0.000 1.175 319 A CA 1.810 53.877 52.037 0.049 0.000 0.627 319 A CB -0.677 18.339 19.000 0.026 0.000 0.815 319 A HN 0.422 nan 8.150 nan 0.000 0.443 320 A N -0.011 122.824 122.820 0.025 0.000 1.873 320 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 320 A C 2.335 179.757 177.584 -0.269 0.000 1.186 320 A CA 2.268 54.279 52.037 -0.043 0.000 0.616 320 A CB -1.219 17.751 19.000 -0.051 0.000 0.823 320 A HN 1.141 nan 8.150 nan 0.000 0.442 321 V N -2.306 117.481 119.914 -0.212 0.000 2.548 321 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 321 V C 1.826 177.820 176.094 -0.167 0.000 1.055 321 V CA 2.114 64.262 62.300 -0.254 0.000 1.065 321 V CB -0.954 30.766 31.823 -0.171 0.000 0.681 321 V HN 0.573 nan 8.190 nan 0.000 0.462 322 E N -0.281 119.886 120.200 -0.054 0.000 2.150 322 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 322 E C 2.175 178.813 176.600 0.064 0.000 0.985 322 E CA 1.381 57.791 56.400 0.017 0.000 0.814 322 E CB -0.315 29.428 29.700 0.071 0.000 0.752 322 E HN 0.826 nan 8.360 nan 0.000 0.466 323 H N 0.435 119.497 119.070 -0.013 0.000 2.363 323 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 323 H C 2.117 177.405 175.328 -0.066 0.000 1.074 323 H CA 1.066 57.139 56.048 0.042 0.000 1.354 323 H CB 0.137 30.016 29.762 0.195 0.000 1.397 323 H HN 0.134 nan 8.280 nan 0.000 0.516 324 M N -0.021 119.386 119.600 -0.321 0.000 2.082 324 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 324 M C 2.491 178.544 176.300 -0.411 0.000 1.069 324 M CA 1.680 56.593 55.300 -0.645 0.000 1.102 324 M CB -0.038 31.917 32.600 -1.076 0.000 1.336 324 M HN 0.097 nan 8.290 nan 0.000 0.404 325 V N -0.655 119.110 119.914 -0.247 0.000 2.500 325 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 325 V C 1.983 178.052 176.094 -0.042 0.000 1.039 325 V CA 1.569 63.805 62.300 -0.107 0.000 1.053 325 V CB -0.397 31.385 31.823 -0.069 0.000 0.695 325 V HN 0.409 nan 8.190 nan 0.000 0.463 326 R N -0.480 120.010 120.500 -0.016 0.000 2.307 326 R HA 0.342 4.682 4.340 -0.000 0.000 0.200 326 R C 1.619 177.985 176.300 0.110 0.000 0.893 326 R CA 0.698 56.850 56.100 0.086 0.000 1.042 326 R CB 0.634 31.026 30.300 0.154 0.000 1.059 326 R HN 0.514 nan 8.270 nan 0.000 0.530 327 G N 0.650 109.377 108.800 -0.122 0.000 2.159 327 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 327 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 327 G C -0.147 174.472 174.900 -0.467 0.000 0.977 327 G CA -0.032 44.805 45.100 -0.438 0.000 0.652 327 G HN 0.219 nan 8.290 nan 0.000 0.531 328 F N -0.389 119.693 119.950 0.220 0.000 2.581 328 F HA 0.692 5.219 4.527 -0.000 0.000 0.311 328 F C 0.530 176.531 175.800 0.335 0.000 1.113 328 F CA -0.094 58.108 58.000 0.338 0.000 0.935 328 F CB 2.313 41.423 39.000 0.183 0.000 1.232 328 F HN 0.426 nan 8.300 nan 0.000 0.445 329 G N 0.830 109.947 108.800 0.528 0.000 2.623 329 G HA2 0.579 4.539 3.960 -0.000 0.000 0.290 329 G HA3 0.579 4.539 3.960 -0.000 0.000 0.290 329 G C -2.595 172.478 174.900 0.289 0.000 1.437 329 G CA -0.777 44.528 45.100 0.342 0.000 0.798 329 G HN 0.945 nan 8.290 nan 0.000 0.488 330 H N -1.635 117.480 119.070 0.076 0.000 3.139 330 H HA 0.503 5.059 4.556 -0.000 0.000 0.325 330 H C -1.871 173.440 175.328 -0.029 0.000 1.146 330 H CA -0.524 55.530 56.048 0.011 0.000 1.351 330 H CB 1.675 31.460 29.762 0.038 0.000 2.005 330 H HN 0.517 nan 8.280 nan 0.000 0.517 331 V N 3.895 123.389 119.914 -0.700 0.000 2.459 331 V HA 0.210 4.330 4.120 -0.000 0.000 0.295 331 V C -0.278 175.213 176.094 -1.005 0.000 1.029 331 V CA -0.694 61.162 62.300 -0.740 0.000 0.874 331 V CB 1.578 32.858 31.823 -0.904 0.000 0.985 331 V HN 0.834 nan 8.190 nan 0.000 0.438 332 D N 3.020 123.150 120.400 -0.450 0.000 2.468 332 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 332 D C 0.542 176.722 176.300 -0.201 0.000 1.155 332 D CA -0.095 53.822 54.000 -0.138 0.000 0.924 332 D CB 0.464 41.425 40.800 0.268 0.000 1.029 332 D HN 0.488 nan 8.370 nan 0.000 0.515 333 Y N 1.223 121.485 120.300 -0.064 0.000 2.333 333 Y HA -0.140 4.410 4.550 -0.000 0.000 0.290 333 Y C 2.202 178.057 175.900 -0.076 0.000 1.144 333 Y CA 0.751 58.814 58.100 -0.062 0.000 1.228 333 Y CB 0.053 38.472 38.460 -0.068 0.000 0.985 333 Y HN 0.385 nan 8.280 nan 0.000 0.542 334 Q N -0.605 119.212 119.800 0.028 0.000 2.436 334 Q HA 0.070 4.410 4.340 -0.000 0.000 0.209 334 Q C 1.779 177.755 176.000 -0.041 0.000 0.965 334 Q CA 0.969 56.716 55.803 -0.092 0.000 0.910 334 Q CB -0.192 28.465 28.738 -0.135 0.000 0.980 334 Q HN 0.485 nan 8.270 nan 0.000 0.491 335 A N -0.112 122.718 122.820 0.017 0.000 2.430 335 A HA 0.256 4.576 4.320 -0.000 0.000 0.243 335 A C 0.652 178.219 177.584 -0.028 0.000 1.254 335 A CA -0.326 51.725 52.037 0.023 0.000 0.914 335 A CB 0.259 19.342 19.000 0.137 0.000 0.998 335 A HN 0.157 nan 8.150 nan 0.000 0.515 336 I N 3.086 123.652 120.570 -0.006 0.000 2.301 336 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 336 I C -2.150 173.997 176.117 0.050 0.000 1.046 336 I CA -1.998 59.327 61.300 0.042 0.000 1.282 336 I CB 1.420 39.484 38.000 0.107 0.000 1.409 336 I HN 0.134 nan 8.210 nan 0.000 0.484 337 P HA 0.100 nan 4.420 nan 0.000 0.278 337 P C -0.712 176.662 177.300 0.124 0.000 1.238 337 P CA -0.400 62.699 63.100 -0.001 0.000 0.794 337 P CB 1.495 33.144 31.700 -0.085 0.000 0.955 338 S N 1.394 117.110 115.700 0.027 0.000 2.519 338 S HA 0.554 5.024 4.470 -0.000 0.000 0.309 338 S C -0.858 173.704 174.600 -0.064 0.000 1.100 338 S CA -0.554 57.662 58.200 0.026 0.000 1.059 338 S CB 0.270 63.468 63.200 -0.004 0.000 1.008 338 S HN 0.198 nan 8.310 nan 0.000 0.478 339 V N 4.694 124.541 119.914 -0.113 0.000 2.789 339 V HA 0.611 4.731 4.120 -0.000 0.000 0.311 339 V C -0.690 175.112 176.094 -0.485 0.000 1.073 339 V CA -0.800 61.288 62.300 -0.353 0.000 0.921 339 V CB 2.112 33.607 31.823 -0.546 0.000 1.009 339 V HN 0.701 nan 8.190 nan 0.000 0.426 340 V N 3.549 123.192 119.914 -0.451 0.000 2.384 340 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 340 V C -0.643 175.236 176.094 -0.359 0.000 1.020 340 V CA -0.412 61.709 62.300 -0.297 0.000 0.850 340 V CB 1.283 33.061 31.823 -0.075 0.000 0.987 340 V HN 0.862 nan 8.190 nan 0.000 0.436 341 Y N 2.388 122.715 120.300 0.045 0.000 2.718 341 Y HA 0.155 4.705 4.550 -0.000 0.000 0.322 341 Y C 1.705 177.644 175.900 0.065 0.000 1.122 341 Y CA -0.543 57.583 58.100 0.044 0.000 1.348 341 Y CB 0.024 38.502 38.460 0.030 0.000 1.174 341 Y HN 0.779 nan 8.280 nan 0.000 0.523 342 T N -2.955 111.699 114.554 0.166 0.000 2.689 342 T HA 0.081 4.431 4.350 -0.000 0.000 0.308 342 T C -0.503 174.326 174.700 0.214 0.000 1.021 342 T CA -0.486 61.740 62.100 0.210 0.000 0.973 342 T CB 0.934 70.006 68.868 0.340 0.000 1.113 342 T HN 0.433 nan 8.240 nan 0.000 0.522 343 H N 1.161 120.315 119.070 0.139 0.000 2.800 343 H HA 0.456 5.012 4.556 -0.000 0.000 0.322 343 H C -2.605 172.754 175.328 0.053 0.000 0.979 343 H CA -1.986 54.112 56.048 0.082 0.000 1.277 343 H CB 1.201 31.019 29.762 0.093 0.000 1.484 343 H HN 0.460 nan 8.280 nan 0.000 0.512 344 P HA 0.060 nan 4.420 nan 0.000 0.274 344 P C -0.469 176.704 177.300 -0.211 0.000 1.237 344 P CA -0.315 62.516 63.100 -0.449 0.000 0.793 344 P CB 1.474 32.894 31.700 -0.467 0.000 0.977 345 E N 0.454 120.535 120.200 -0.198 0.000 2.392 345 E HA 0.342 4.692 4.350 -0.000 0.000 0.259 345 E C -0.168 176.325 176.600 -0.178 0.000 1.108 345 E CA -0.262 56.059 56.400 -0.131 0.000 0.916 345 E CB 0.401 30.044 29.700 -0.094 0.000 0.989 345 E HN 0.376 nan 8.360 nan 0.000 0.432 346 I N 0.876 121.348 120.570 -0.163 0.000 2.533 346 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 346 I C -0.633 175.387 176.117 -0.161 0.000 1.056 346 I CA -0.608 60.599 61.300 -0.154 0.000 1.057 346 I CB 1.981 39.933 38.000 -0.080 0.000 1.240 346 I HN 0.493 nan 8.210 nan 0.000 0.423 347 A N 4.339 127.074 122.820 -0.142 0.000 2.606 347 A HA 0.996 5.316 4.320 -0.000 0.000 0.293 347 A C -1.631 175.870 177.584 -0.139 0.000 1.082 347 A CA -0.587 51.367 52.037 -0.137 0.000 0.685 347 A CB 2.025 20.944 19.000 -0.134 0.000 1.284 347 A HN 0.908 nan 8.150 nan 0.000 0.408 348 A N -0.107 122.604 122.820 -0.180 0.000 2.520 348 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 348 A C -1.428 175.990 177.584 -0.278 0.000 1.051 348 A CA -0.380 51.446 52.037 -0.351 0.000 0.690 348 A CB 1.548 20.358 19.000 -0.318 0.000 1.281 348 A HN 2.228 nan 8.150 nan 0.000 0.402 349 V N 1.812 121.517 119.914 -0.348 0.000 2.888 349 V HA 0.803 4.923 4.120 -0.000 0.000 0.309 349 V C 0.615 176.611 176.094 -0.162 0.000 1.114 349 V CA 1.217 63.407 62.300 -0.183 0.000 0.940 349 V CB 1.541 33.301 31.823 -0.104 0.000 1.021 349 V HN 2.920 nan 8.190 nan 0.000 0.426 350 G N 4.668 113.392 108.800 -0.127 0.000 2.569 350 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.259 350 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.259 350 G C -0.523 174.311 174.900 -0.111 0.000 1.263 350 G CA 0.527 45.528 45.100 -0.166 0.000 0.928 350 G HN 1.142 nan 8.290 nan 0.000 0.572 351 Y N 1.716 122.081 120.300 0.108 0.000 2.309 351 Y HA 0.471 5.021 4.550 -0.000 0.000 0.327 351 Y C 1.672 177.703 175.900 0.217 0.000 1.172 351 Y CA 0.009 58.172 58.100 0.104 0.000 1.280 351 Y CB 1.221 39.704 38.460 0.039 0.000 1.234 351 Y HN 0.828 nan 8.280 nan 0.000 0.512 352 T N -1.633 113.149 114.554 0.380 0.000 2.828 352 T HA 0.100 4.450 4.350 -0.000 0.000 0.290 352 T C 0.921 175.595 174.700 -0.042 0.000 1.019 352 T CA -0.726 61.530 62.100 0.261 0.000 1.031 352 T CB 1.011 70.023 68.868 0.241 0.000 1.001 352 T HN 0.745 nan 8.240 nan 0.000 0.531 353 E N 0.525 120.610 120.200 -0.191 0.000 2.130 353 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 353 E C 1.996 178.537 176.600 -0.099 0.000 0.998 353 E CA 1.580 57.836 56.400 -0.241 0.000 0.806 353 E CB -0.080 29.569 29.700 -0.084 0.000 0.738 353 E HN 0.713 nan 8.360 nan 0.000 0.459 354 E N 0.891 121.078 120.200 -0.022 0.000 2.077 354 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 354 E C 1.858 178.450 176.600 -0.013 0.000 0.989 354 E CA 1.117 57.522 56.400 0.007 0.000 0.800 354 E CB -0.072 29.647 29.700 0.032 0.000 0.746 354 E HN 0.304 nan 8.360 nan 0.000 0.452 355 E N 0.075 120.267 120.200 -0.015 0.000 2.072 355 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 355 E C 2.097 178.588 176.600 -0.182 0.000 0.985 355 E CA 0.669 57.031 56.400 -0.063 0.000 0.801 355 E CB -0.088 29.628 29.700 0.028 0.000 0.750 355 E HN 0.206 nan 8.360 nan 0.000 0.452 356 L N 0.900 121.999 121.223 -0.206 0.000 2.017 356 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 356 L C 2.359 179.186 176.870 -0.072 0.000 1.073 356 L CA 1.323 56.026 54.840 -0.229 0.000 0.745 356 L CB -0.381 41.423 42.059 -0.425 0.000 0.894 356 L HN 0.042 nan 8.230 nan 0.000 0.432 357 K N 0.202 120.601 120.400 -0.001 0.000 2.057 357 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 357 K C 2.223 178.830 176.600 0.012 0.000 1.049 357 K CA 1.414 57.740 56.287 0.065 0.000 0.931 357 K CB -0.281 32.268 32.500 0.081 0.000 0.714 357 K HN 0.282 nan 8.250 nan 0.000 0.440 358 A N 1.141 123.950 122.820 -0.019 0.000 1.969 358 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 358 A C 1.804 179.365 177.584 -0.038 0.000 1.169 358 A CA 1.264 53.286 52.037 -0.024 0.000 0.635 358 A CB -0.252 18.731 19.000 -0.027 0.000 0.810 358 A HN 0.308 nan 8.150 nan 0.000 0.445 359 Q N -1.664 118.093 119.800 -0.072 0.000 2.403 359 Q HA 0.239 4.579 4.340 -0.000 0.000 0.203 359 Q C 1.056 177.035 176.000 -0.036 0.000 0.932 359 Q CA 0.307 56.063 55.803 -0.078 0.000 0.945 359 Q CB 0.147 28.785 28.738 -0.166 0.000 1.045 359 Q HN 0.848 nan 8.270 nan 0.000 0.511 360 G N 1.647 110.439 108.800 -0.013 0.000 2.153 360 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 360 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 360 G C 0.081 174.994 174.900 0.021 0.000 0.994 360 G CA -0.034 45.072 45.100 0.010 0.000 0.698 360 G HN 0.331 nan 8.290 nan 0.000 0.521 361 I N 2.613 123.195 120.570 0.022 0.000 2.416 361 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 361 I C -1.410 174.736 176.117 0.048 0.000 1.051 361 I CA -2.043 59.272 61.300 0.026 0.000 1.375 361 I CB 1.067 39.081 38.000 0.023 0.000 1.407 361 I HN -0.048 nan 8.210 nan 0.000 0.516 362 P HA 0.186 nan 4.420 nan 0.000 0.281 362 P C -1.531 175.692 177.300 -0.129 0.000 1.252 362 P CA 0.053 63.085 63.100 -0.113 0.000 0.778 362 P CB 0.510 32.120 31.700 -0.150 0.000 0.895 363 Y N -0.314 119.893 120.300 -0.155 0.000 2.615 363 Y HA 0.695 5.245 4.550 -0.000 0.000 0.341 363 Y C -0.816 175.059 175.900 -0.040 0.000 1.089 363 Y CA -1.457 56.584 58.100 -0.099 0.000 1.049 363 Y CB 1.609 40.040 38.460 -0.049 0.000 1.296 363 Y HN 0.136 nan 8.280 nan 0.000 0.470 364 K N 1.565 122.033 120.400 0.114 0.000 2.203 364 K HA 0.720 5.040 4.320 -0.000 0.000 0.251 364 K C -1.558 175.151 176.600 0.181 0.000 0.944 364 K CA -1.177 55.144 56.287 0.057 0.000 0.829 364 K CB 2.783 35.325 32.500 0.070 0.000 1.125 364 K HN 0.501 nan 8.250 nan 0.000 0.430 365 V N 1.445 121.426 119.914 0.111 0.000 2.417 365 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 365 V C 0.106 176.260 176.094 0.101 0.000 1.024 365 V CA -0.707 61.676 62.300 0.139 0.000 0.861 365 V CB 1.614 33.501 31.823 0.106 0.000 0.985 365 V HN 0.947 nan 8.190 nan 0.000 0.436 366 G N 3.599 112.475 108.800 0.126 0.000 2.530 366 G HA2 0.689 4.649 3.960 -0.000 0.000 0.316 366 G HA3 0.689 4.649 3.960 -0.000 0.000 0.316 366 G C -1.098 173.891 174.900 0.149 0.000 1.298 366 G CA -0.616 44.562 45.100 0.130 0.000 0.948 366 G HN 0.635 nan 8.290 nan 0.000 0.486 367 K N 1.634 122.122 120.400 0.147 0.000 2.482 367 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 367 K C -2.136 174.609 176.600 0.241 0.000 0.936 367 K CA -0.823 55.565 56.287 0.168 0.000 0.791 367 K CB 1.940 34.455 32.500 0.024 0.000 1.213 367 K HN 0.318 nan 8.250 nan 0.000 0.428 368 F N 6.120 126.146 119.950 0.127 0.000 2.518 368 F HA 0.520 5.047 4.527 -0.000 0.000 0.323 368 F C -2.423 173.476 175.800 0.164 0.000 1.129 368 F CA -2.034 56.030 58.000 0.106 0.000 0.920 368 F CB 1.773 40.813 39.000 0.066 0.000 1.160 368 F HN 0.378 nan 8.300 nan 0.000 0.440 369 P HA 0.166 nan 4.420 nan 0.000 0.286 369 P C 0.075 177.363 177.300 -0.021 0.000 1.261 369 P CA -0.041 63.038 63.100 -0.035 0.000 0.821 369 P CB 1.110 32.735 31.700 -0.126 0.000 1.013 370 Y N 0.762 121.066 120.300 0.008 0.000 2.384 370 Y HA -0.237 4.313 4.550 -0.000 0.000 0.289 370 Y C 2.709 178.601 175.900 -0.014 0.000 1.152 370 Y CA 1.942 60.056 58.100 0.024 0.000 1.258 370 Y CB -0.387 38.082 38.460 0.015 0.000 0.979 370 Y HN 0.402 nan 8.280 nan 0.000 0.549 371 S N -0.591 115.160 115.700 0.085 0.000 2.447 371 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 371 S C 1.834 176.417 174.600 -0.028 0.000 1.006 371 S CA 0.717 58.931 58.200 0.023 0.000 0.957 371 S CB -0.339 62.859 63.200 -0.003 0.000 0.773 371 S HN 0.325 nan 8.310 nan 0.000 0.507 372 A N 0.866 123.607 122.820 -0.131 0.000 2.308 372 A HA 0.478 4.798 4.320 -0.000 0.000 0.217 372 A C 1.031 178.670 177.584 0.092 0.000 1.216 372 A CA 0.112 52.081 52.037 -0.114 0.000 0.864 372 A CB -0.209 18.528 19.000 -0.437 0.000 0.902 372 A HN 0.446 nan 8.150 nan 0.000 0.499 373 S N -0.352 115.405 115.700 0.095 0.000 2.452 373 S HA 0.447 4.917 4.470 -0.000 0.000 0.284 373 S C 1.472 176.099 174.600 0.045 0.000 1.171 373 S CA 0.012 58.275 58.200 0.104 0.000 1.064 373 S CB 1.047 64.245 63.200 -0.002 0.000 0.967 373 S HN 0.459 nan 8.310 nan 0.000 0.484 374 G N 4.764 113.585 108.800 0.035 0.000 2.446 374 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 374 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 374 G C 1.474 176.360 174.900 -0.023 0.000 1.168 374 G CA 0.835 45.946 45.100 0.017 0.000 0.771 374 G HN 0.674 nan 8.290 nan 0.000 0.551 375 R N 1.081 121.543 120.500 -0.063 0.000 2.081 375 R HA 0.112 4.452 4.340 -0.000 0.000 0.235 375 R C 2.812 179.108 176.300 -0.007 0.000 1.131 375 R CA 1.803 57.866 56.100 -0.061 0.000 0.960 375 R CB -0.934 29.313 30.300 -0.087 0.000 0.856 375 R HN 0.257 nan 8.270 nan 0.000 0.436 376 A N 0.498 123.323 122.820 0.007 0.000 1.877 376 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 376 A C 2.196 179.830 177.584 0.084 0.000 1.186 376 A CA 1.755 53.843 52.037 0.085 0.000 0.620 376 A CB -0.483 18.599 19.000 0.137 0.000 0.822 376 A HN 0.387 nan 8.150 nan 0.000 0.443 377 R N -0.398 120.137 120.500 0.058 0.000 2.083 377 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 377 R C 2.462 178.784 176.300 0.038 0.000 1.137 377 R CA 1.440 57.569 56.100 0.049 0.000 0.951 377 R CB -0.572 29.752 30.300 0.039 0.000 0.851 377 R HN 0.514 nan 8.270 nan 0.000 0.434 378 A N 0.787 123.621 122.820 0.024 0.000 1.940 378 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 378 A C 2.097 179.695 177.584 0.024 0.000 1.176 378 A CA 1.551 53.597 52.037 0.015 0.000 0.631 378 A CB -0.439 18.558 19.000 -0.004 0.000 0.814 378 A HN 0.234 nan 8.150 nan 0.000 0.446 379 M N -1.604 118.019 119.600 0.039 0.000 2.476 379 M HA 0.116 4.596 4.480 -0.000 0.000 0.262 379 M C 1.388 177.722 176.300 0.057 0.000 1.079 379 M CA 0.978 56.310 55.300 0.052 0.000 1.104 379 M CB 0.069 32.718 32.600 0.082 0.000 1.409 379 M HN 0.658 nan 8.290 nan 0.000 0.467 380 G N 0.559 109.392 108.800 0.055 0.000 2.132 380 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.234 380 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.234 380 G C -0.351 174.592 174.900 0.071 0.000 0.989 380 G CA -0.352 44.779 45.100 0.052 0.000 0.676 380 G HN 0.407 nan 8.290 nan 0.000 0.522 381 E N 0.158 120.416 120.200 0.097 0.000 2.175 381 E HA 0.576 4.926 4.350 -0.000 0.000 0.278 381 E C 1.147 177.817 176.600 0.118 0.000 0.969 381 E CA 0.266 56.735 56.400 0.114 0.000 0.796 381 E CB 1.501 31.301 29.700 0.166 0.000 1.104 381 E HN 0.468 nan 8.360 nan 0.000 0.395 382 T N -1.626 112.976 114.554 0.080 0.000 2.966 382 T HA 0.141 4.491 4.350 -0.000 0.000 0.254 382 T C 0.418 175.156 174.700 0.063 0.000 0.961 382 T CA -0.319 61.828 62.100 0.080 0.000 0.915 382 T CB 0.554 69.450 68.868 0.047 0.000 1.186 382 T HN 0.086 nan 8.240 nan 0.000 0.505 383 E N 1.542 121.736 120.200 -0.011 0.000 2.266 383 E HA 0.654 5.004 4.350 -0.000 0.000 0.277 383 E C 0.525 176.994 176.600 -0.218 0.000 1.018 383 E CA 0.254 56.615 56.400 -0.066 0.000 0.840 383 E CB 1.346 30.993 29.700 -0.089 0.000 1.082 383 E HN 0.704 nan 8.360 nan 0.000 0.395 384 G N 1.201 109.929 108.800 -0.120 0.000 2.381 384 G HA2 0.200 4.160 3.960 -0.000 0.000 0.672 384 G HA3 0.200 4.160 3.960 -0.000 0.000 0.672 384 G C -1.311 173.711 174.900 0.204 0.000 1.324 384 G CA -0.533 44.426 45.100 -0.235 0.000 0.975 384 G HN 0.477 nan 8.290 nan 0.000 0.593 385 F N -1.933 118.095 119.950 0.131 0.000 2.741 385 F HA 0.863 5.390 4.527 -0.000 0.000 0.311 385 F C -1.078 174.870 175.800 0.247 0.000 1.149 385 F CA -1.690 56.450 58.000 0.234 0.000 0.930 385 F CB 1.085 40.147 39.000 0.103 0.000 1.312 385 F HN 0.594 nan 8.300 nan 0.000 0.450 386 I N 1.922 122.758 120.570 0.443 0.000 2.569 386 I HA 0.478 4.648 4.170 -0.000 0.000 0.296 386 I C -1.087 175.296 176.117 0.442 0.000 1.028 386 I CA -0.857 60.637 61.300 0.324 0.000 1.082 386 I CB 2.358 40.480 38.000 0.202 0.000 1.264 386 I HN 0.726 nan 8.210 nan 0.000 0.429 387 K N 5.441 126.082 120.400 0.401 0.000 2.426 387 K HA 0.670 4.990 4.320 -0.000 0.000 0.254 387 K C -1.831 174.910 176.600 0.235 0.000 0.936 387 K CA -0.506 55.971 56.287 0.318 0.000 0.801 387 K CB 2.014 34.720 32.500 0.344 0.000 1.139 387 K HN 0.395 nan 8.250 nan 0.000 0.424 388 V N 5.896 125.925 119.914 0.192 0.000 2.398 388 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 388 V C -0.371 175.821 176.094 0.163 0.000 1.026 388 V CA -0.849 61.556 62.300 0.175 0.000 0.868 388 V CB 1.325 33.242 31.823 0.158 0.000 0.982 388 V HN 0.695 nan 8.190 nan 0.000 0.443 389 L N 4.766 126.081 121.223 0.153 0.000 2.287 389 L HA 0.856 5.196 4.340 -0.000 0.000 0.287 389 L C 0.174 177.151 176.870 0.179 0.000 1.022 389 L CA -0.316 54.613 54.840 0.148 0.000 0.814 389 L CB 1.474 43.537 42.059 0.007 0.000 1.217 389 L HN 0.730 nan 8.230 nan 0.000 0.420 390 A N 2.110 125.063 122.820 0.221 0.000 2.401 390 A HA 0.436 4.756 4.320 -0.000 0.000 0.310 390 A C -0.858 176.878 177.584 0.253 0.000 1.075 390 A CA -0.599 51.573 52.037 0.225 0.000 0.746 390 A CB 1.157 20.286 19.000 0.215 0.000 1.277 390 A HN 0.744 nan 8.150 nan 0.000 0.425 391 H N 1.843 121.016 119.070 0.171 0.000 2.964 391 H HA 0.201 4.757 4.556 -0.000 0.000 0.328 391 H C 1.397 176.810 175.328 0.141 0.000 1.030 391 H CA 0.854 56.999 56.048 0.161 0.000 1.445 391 H CB 1.390 31.229 29.762 0.128 0.000 1.449 391 H HN 0.737 nan 8.280 nan 0.000 0.581 392 A N 5.123 127.919 122.820 -0.040 0.000 2.019 392 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 392 A C 2.312 179.993 177.584 0.161 0.000 1.164 392 A CA 1.706 53.766 52.037 0.039 0.000 0.644 392 A CB -0.127 18.832 19.000 -0.069 0.000 0.805 392 A HN 0.779 nan 8.150 nan 0.000 0.449 393 K N -1.187 119.428 120.400 0.360 0.000 2.190 393 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 393 K C 1.939 178.672 176.600 0.221 0.000 1.045 393 K CA 1.349 57.803 56.287 0.278 0.000 0.976 393 K CB 0.052 32.720 32.500 0.280 0.000 0.849 393 K HN 0.518 nan 8.250 nan 0.000 0.468 394 T N -2.218 112.475 114.554 0.231 0.000 3.065 394 T HA 0.038 4.388 4.350 -0.000 0.000 0.252 394 T C 0.466 175.244 174.700 0.130 0.000 1.099 394 T CA 0.759 62.909 62.100 0.084 0.000 1.063 394 T CB 0.074 68.896 68.868 -0.077 0.000 0.948 394 T HN 0.361 nan 8.240 nan 0.000 0.506 395 D N 0.428 120.953 120.400 0.209 0.000 3.079 395 D HA -0.186 4.454 4.640 -0.000 0.000 0.214 395 D C 0.147 176.548 176.300 0.169 0.000 1.145 395 D CA 0.798 54.923 54.000 0.209 0.000 0.958 395 D CB -1.258 39.668 40.800 0.209 0.000 1.117 395 D HN 0.626 nan 8.370 nan 0.000 0.416 396 R N 0.701 121.298 120.500 0.161 0.000 2.489 396 R HA 0.339 4.679 4.340 -0.000 0.000 0.287 396 R C 0.086 176.487 176.300 0.167 0.000 1.053 396 R CA -0.092 56.085 56.100 0.129 0.000 1.036 396 R CB 0.206 30.560 30.300 0.089 0.000 0.966 396 R HN 0.302 nan 8.270 nan 0.000 0.432 397 I N 6.753 127.404 120.570 0.135 0.000 2.598 397 I HA -0.100 4.070 4.170 -0.000 0.000 0.284 397 I C 0.870 177.078 176.117 0.152 0.000 1.140 397 I CA 0.351 61.736 61.300 0.142 0.000 1.420 397 I CB 0.499 38.567 38.000 0.115 0.000 1.387 397 I HN 0.699 nan 8.210 nan 0.000 0.553 398 L N 5.909 127.237 121.223 0.176 0.000 2.470 398 L HA 0.404 4.744 4.340 -0.000 0.000 0.219 398 L C 0.961 177.940 176.870 0.182 0.000 1.071 398 L CA 0.034 54.997 54.840 0.206 0.000 0.850 398 L CB 0.019 42.217 42.059 0.231 0.000 1.040 398 L HN 0.776 nan 8.230 nan 0.000 0.475 399 G N -0.631 108.277 108.800 0.179 0.000 2.579 399 G HA2 0.524 4.484 3.960 -0.000 0.000 0.292 399 G HA3 0.524 4.484 3.960 -0.000 0.000 0.292 399 G C -1.974 173.099 174.900 0.289 0.000 1.484 399 G CA -0.367 44.872 45.100 0.232 0.000 0.813 399 G HN -0.291 nan 8.290 nan 0.000 0.515 400 V N 1.464 121.546 119.914 0.280 0.000 2.760 400 V HA 0.693 4.813 4.120 -0.000 0.000 0.309 400 V C -0.755 175.479 176.094 0.234 0.000 1.077 400 V CA -0.794 61.682 62.300 0.293 0.000 0.910 400 V CB 1.807 33.705 31.823 0.124 0.000 1.008 400 V HN 0.884 nan 8.190 nan 0.000 0.424 401 H N 1.870 120.983 119.070 0.072 0.000 2.930 401 H HA 0.776 5.332 4.556 -0.000 0.000 0.371 401 H C -0.130 175.200 175.328 0.003 0.000 1.169 401 H CA -0.584 55.491 56.048 0.046 0.000 1.157 401 H CB 2.912 32.729 29.762 0.091 0.000 1.789 401 H HN 0.962 nan 8.280 nan 0.000 0.547 402 G N 0.865 109.652 108.800 -0.023 0.000 2.623 402 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 402 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 402 G C -1.959 172.705 174.900 -0.393 0.000 1.437 402 G CA -0.611 44.324 45.100 -0.276 0.000 0.798 402 G HN 0.579 nan 8.290 nan 0.000 0.488 403 I N 0.071 120.281 120.570 -0.600 0.000 2.607 403 I HA 0.768 4.938 4.170 -0.000 0.000 0.290 403 I C -0.103 175.683 176.117 -0.552 0.000 1.129 403 I CA 0.060 61.066 61.300 -0.489 0.000 1.042 403 I CB 1.931 39.640 38.000 -0.486 0.000 1.242 403 I HN 1.503 nan 8.210 nan 0.000 0.421 404 G N 4.340 112.812 108.800 -0.548 0.000 2.336 404 G HA2 0.466 4.426 3.960 -0.000 0.000 0.300 404 G HA3 0.466 4.426 3.960 -0.000 0.000 0.300 404 G C -1.223 173.345 174.900 -0.553 0.000 1.375 404 G CA -0.346 44.202 45.100 -0.920 0.000 0.885 404 G HN 1.002 nan 8.290 nan 0.000 0.599 405 A N 0.009 122.510 122.820 -0.532 0.000 2.561 405 A HA 0.508 4.828 4.320 -0.000 0.000 0.251 405 A C 1.480 179.086 177.584 0.037 0.000 1.062 405 A CA 1.529 53.423 52.037 -0.237 0.000 0.761 405 A CB -0.512 18.481 19.000 -0.010 0.000 0.986 405 A HN 1.786 nan 8.150 nan 0.000 0.510 406 R N 0.832 121.343 120.500 0.017 0.000 3.758 406 R HA -0.181 4.159 4.340 -0.000 0.000 0.299 406 R C 0.770 177.117 176.300 0.079 0.000 1.182 406 R CA 0.671 56.819 56.100 0.080 0.000 0.809 406 R CB -2.472 27.890 30.300 0.103 0.000 1.249 406 R HN 0.621 nan 8.270 nan 0.000 0.497 407 V N -0.386 119.556 119.914 0.048 0.000 2.594 407 V HA -0.156 3.964 4.120 -0.000 0.000 0.253 407 V C 2.378 178.477 176.094 0.010 0.000 1.069 407 V CA 2.425 64.759 62.300 0.056 0.000 1.082 407 V CB -0.281 31.541 31.823 -0.002 0.000 0.680 407 V HN 0.645 nan 8.190 nan 0.000 0.469 408 G N -0.663 108.131 108.800 -0.009 0.000 2.418 408 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 408 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 408 G C 1.255 176.174 174.900 0.032 0.000 1.158 408 G CA 0.993 46.090 45.100 -0.006 0.000 0.771 408 G HN 0.541 nan 8.290 nan 0.000 0.545 409 D N 0.243 120.677 120.400 0.058 0.000 2.117 409 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 409 D C 2.760 179.073 176.300 0.023 0.000 0.987 409 D CA 0.746 54.771 54.000 0.043 0.000 0.829 409 D CB -0.446 40.384 40.800 0.051 0.000 0.961 409 D HN 0.218 nan 8.370 nan 0.000 0.460 410 V N 0.702 120.633 119.914 0.028 0.000 2.358 410 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 410 V C 2.173 178.271 176.094 0.008 0.000 1.047 410 V CA 1.000 63.311 62.300 0.019 0.000 1.035 410 V CB -0.239 31.596 31.823 0.021 0.000 0.658 410 V HN 0.130 nan 8.190 nan 0.000 0.452 411 L N 0.293 121.516 121.223 -0.001 0.000 2.610 411 L HA 0.181 4.521 4.340 -0.000 0.000 0.232 411 L C 2.355 179.202 176.870 -0.038 0.000 1.149 411 L CA 1.245 56.076 54.840 -0.016 0.000 0.872 411 L CB -1.163 40.880 42.059 -0.028 0.000 0.992 411 L HN 0.244 nan 8.230 nan 0.000 0.447 412 A N -0.538 122.258 122.820 -0.039 0.000 1.917 412 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 412 A C 2.353 179.893 177.584 -0.073 0.000 1.182 412 A CA 2.034 54.031 52.037 -0.066 0.000 0.633 412 A CB -0.459 18.508 19.000 -0.055 0.000 0.819 412 A HN 0.498 nan 8.150 nan 0.000 0.448 413 E N -0.403 119.774 120.200 -0.039 0.000 2.110 413 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 413 E C 2.152 178.732 176.600 -0.035 0.000 0.988 413 E CA 0.902 57.283 56.400 -0.031 0.000 0.804 413 E CB -0.223 29.496 29.700 0.032 0.000 0.745 413 E HN 0.570 nan 8.360 nan 0.000 0.458 414 A N 1.153 123.962 122.820 -0.018 0.000 1.898 414 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 414 A C 2.367 179.933 177.584 -0.031 0.000 1.181 414 A CA 1.645 53.679 52.037 -0.006 0.000 0.620 414 A CB -0.642 18.363 19.000 0.009 0.000 0.819 414 A HN 0.389 nan 8.150 nan 0.000 0.442 415 A N -0.502 122.280 122.820 -0.063 0.000 1.902 415 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 415 A C 2.128 179.650 177.584 -0.103 0.000 1.181 415 A CA 1.727 53.716 52.037 -0.080 0.000 0.623 415 A CB -0.628 18.302 19.000 -0.116 0.000 0.818 415 A HN 0.616 nan 8.150 nan 0.000 0.443 416 L N -0.193 120.923 121.223 -0.179 0.000 2.017 416 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 416 L C 2.734 179.382 176.870 -0.370 0.000 1.073 416 L CA 2.200 56.830 54.840 -0.350 0.000 0.745 416 L CB -0.785 41.024 42.059 -0.417 0.000 0.894 416 L HN 0.358 nan 8.230 nan 0.000 0.432 417 A N -0.711 122.009 122.820 -0.167 0.000 1.908 417 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 417 A C 2.295 179.904 177.584 0.043 0.000 1.181 417 A CA 2.108 54.129 52.037 -0.028 0.000 0.627 417 A CB -0.944 18.074 19.000 0.031 0.000 0.818 417 A HN 0.490 nan 8.150 nan 0.000 0.445 418 L N -2.285 118.959 121.223 0.034 0.000 2.046 418 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 418 L C 2.422 179.362 176.870 0.118 0.000 1.077 418 L CA 1.493 56.375 54.840 0.069 0.000 0.747 418 L CB -0.437 41.650 42.059 0.045 0.000 0.896 418 L HN 0.488 nan 8.230 nan 0.000 0.432 419 F N -0.365 119.552 119.950 -0.055 0.000 2.171 419 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 419 F C 1.921 177.831 175.800 0.184 0.000 1.090 419 F CA 1.316 59.316 58.000 -0.001 0.000 1.293 419 F CB -0.117 38.818 39.000 -0.109 0.000 1.013 419 F HN -0.025 nan 8.300 nan 0.000 0.486 420 F N 1.099 121.064 119.950 0.025 0.000 2.811 420 F HA 0.147 4.674 4.527 -0.000 0.000 0.301 420 F C 1.044 176.801 175.800 -0.071 0.000 1.151 420 F CA -0.121 57.842 58.000 -0.063 0.000 1.412 420 F CB -1.327 37.680 39.000 0.012 0.000 1.113 420 F HN -0.058 nan 8.300 nan 0.000 0.579 421 K N -0.330 120.142 120.400 0.121 0.000 3.096 421 K HA -0.190 4.130 4.320 -0.000 0.000 0.266 421 K C 0.418 177.062 176.600 0.073 0.000 1.043 421 K CA 0.359 56.684 56.287 0.063 0.000 0.758 421 K CB -1.768 30.738 32.500 0.009 0.000 1.260 421 K HN 0.224 nan 8.250 nan 0.000 0.481 422 A N 1.402 124.286 122.820 0.107 0.000 2.386 422 A HA 0.411 4.731 4.320 -0.000 0.000 0.248 422 A C 0.830 178.451 177.584 0.063 0.000 1.082 422 A CA 0.225 52.315 52.037 0.090 0.000 0.789 422 A CB 0.450 19.517 19.000 0.113 0.000 1.025 422 A HN 0.467 nan 8.150 nan 0.000 0.490 423 S N 0.688 116.407 115.700 0.031 0.000 2.632 423 S HA 0.532 5.002 4.470 -0.000 0.000 0.271 423 S C 1.166 175.776 174.600 0.017 0.000 1.260 423 S CA -0.168 58.047 58.200 0.024 0.000 1.010 423 S CB 1.368 64.554 63.200 -0.023 0.000 0.965 423 S HN 1.567 nan 8.310 nan 0.000 0.534 424 A N 0.709 123.562 122.820 0.056 0.000 1.902 424 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 424 A C 2.099 179.670 177.584 -0.022 0.000 1.181 424 A CA 1.689 53.776 52.037 0.083 0.000 0.623 424 A CB -1.190 17.924 19.000 0.189 0.000 0.818 424 A HN 1.018 nan 8.150 nan 0.000 0.443 425 E N -0.243 119.806 120.200 -0.252 0.000 2.058 425 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 425 E C 1.254 177.591 176.600 -0.438 0.000 0.997 425 E CA 1.570 57.505 56.400 -0.775 0.000 0.801 425 E CB -0.150 28.722 29.700 -1.380 0.000 0.746 425 E HN 0.549 nan 8.360 nan 0.000 0.450 426 D N 0.335 120.587 120.400 -0.246 0.000 2.144 426 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 426 D C 1.996 178.268 176.300 -0.048 0.000 0.978 426 D CA 0.483 54.402 54.000 -0.136 0.000 0.833 426 D CB -0.218 40.537 40.800 -0.075 0.000 0.961 426 D HN 0.189 nan 8.370 nan 0.000 0.470 427 L N 0.831 122.053 121.223 -0.002 0.000 2.046 427 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 427 L C 2.125 179.063 176.870 0.114 0.000 1.077 427 L CA 1.949 56.834 54.840 0.075 0.000 0.747 427 L CB -0.870 41.237 42.059 0.080 0.000 0.896 427 L HN 0.038 nan 8.230 nan 0.000 0.432 428 G N -1.383 107.440 108.800 0.040 0.000 2.464 428 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 428 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 428 G C 1.746 176.682 174.900 0.060 0.000 1.138 428 G CA 0.301 45.436 45.100 0.059 0.000 0.793 428 G HN 0.359 nan 8.290 nan 0.000 0.539 429 R N 0.181 120.668 120.500 -0.021 0.000 2.210 429 R HA 0.309 4.649 4.340 -0.000 0.000 0.203 429 R C 1.399 177.704 176.300 0.009 0.000 1.010 429 R CA 0.246 56.328 56.100 -0.030 0.000 1.008 429 R CB 0.052 30.275 30.300 -0.129 0.000 0.923 429 R HN 0.296 nan 8.270 nan 0.000 0.469 430 A N 2.736 125.570 122.820 0.023 0.000 2.498 430 A HA 0.213 4.533 4.320 -0.000 0.000 0.239 430 A C -2.179 175.344 177.584 -0.101 0.000 1.068 430 A CA -1.092 50.914 52.037 -0.051 0.000 0.766 430 A CB -0.106 18.841 19.000 -0.089 0.000 1.003 430 A HN -0.049 nan 8.150 nan 0.000 0.497 431 P HA 0.301 nan 4.420 nan 0.000 0.268 431 P C -0.899 176.203 177.300 -0.329 0.000 1.205 431 P CA 0.616 63.644 63.100 -0.119 0.000 0.771 431 P CB 0.330 31.980 31.700 -0.084 0.000 0.858 432 H N 0.183 119.255 119.070 0.004 0.000 2.667 432 H HA 0.553 5.109 4.556 -0.000 0.000 0.353 432 H C -0.198 175.141 175.328 0.019 0.000 1.072 432 H CA -0.788 55.261 56.048 0.002 0.000 1.214 432 H CB 1.409 31.162 29.762 -0.014 0.000 1.600 432 H HN 0.421 nan 8.280 nan 0.000 0.527 433 A N 2.299 125.185 122.820 0.109 0.000 2.565 433 A HA 0.089 4.409 4.320 -0.000 0.000 0.237 433 A C -0.334 177.317 177.584 0.111 0.000 1.053 433 A CA 0.464 52.551 52.037 0.084 0.000 0.755 433 A CB -0.414 18.611 19.000 0.042 0.000 0.980 433 A HN 0.833 nan 8.150 nan 0.000 0.506 434 H N 2.619 121.697 119.070 0.014 0.000 2.469 434 H HA 0.645 5.201 4.556 -0.000 0.000 0.342 434 H C -2.407 172.920 175.328 -0.001 0.000 1.115 434 H CA -1.715 54.331 56.048 -0.002 0.000 1.204 434 H CB 1.193 30.954 29.762 -0.003 0.000 1.492 434 H HN 0.528 nan 8.280 nan 0.000 0.499 435 P HA 0.304 nan 4.420 nan 0.000 0.297 435 P C -1.515 175.644 177.300 -0.235 0.000 1.319 435 P CA -0.704 61.998 63.100 -0.664 0.000 0.810 435 P CB 1.507 32.796 31.700 -0.686 0.000 0.947 436 S N 1.284 116.903 115.700 -0.135 0.000 2.579 436 S HA 0.367 4.837 4.470 -0.000 0.000 0.272 436 S C 0.744 175.294 174.600 -0.084 0.000 1.141 436 S CA -0.927 57.228 58.200 -0.074 0.000 0.843 436 S CB 0.989 64.174 63.200 -0.025 0.000 1.122 436 S HN 0.189 nan 8.310 nan 0.000 0.468 437 L N 1.860 123.036 121.223 -0.079 0.000 2.265 437 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 437 L C 2.891 179.682 176.870 -0.132 0.000 1.117 437 L CA 1.451 56.211 54.840 -0.133 0.000 0.782 437 L CB -0.699 41.306 42.059 -0.090 0.000 0.914 437 L HN 0.975 nan 8.230 nan 0.000 0.441 438 S N -0.514 115.145 115.700 -0.068 0.000 2.419 438 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 438 S C 1.603 176.070 174.600 -0.223 0.000 1.016 438 S CA 1.111 59.274 58.200 -0.062 0.000 0.974 438 S CB -0.339 62.921 63.200 0.101 0.000 0.786 438 S HN 0.517 nan 8.310 nan 0.000 0.492 439 E N 1.001 121.084 120.200 -0.196 0.000 2.265 439 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 439 E C 1.812 178.180 176.600 -0.386 0.000 0.996 439 E CA 1.173 57.398 56.400 -0.292 0.000 0.832 439 E CB -0.432 29.165 29.700 -0.171 0.000 0.756 439 E HN 0.650 nan 8.360 nan 0.000 0.491 440 I N 0.613 121.017 120.570 -0.276 0.000 2.226 440 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 440 I C 2.392 178.413 176.117 -0.160 0.000 1.100 440 I CA 0.567 61.761 61.300 -0.176 0.000 1.374 440 I CB -0.161 37.764 38.000 -0.124 0.000 1.057 440 I HN 0.149 nan 8.210 nan 0.000 0.413 441 L N 1.249 122.372 121.223 -0.167 0.000 2.046 441 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 441 L C 2.477 179.227 176.870 -0.200 0.000 1.077 441 L CA 1.892 56.660 54.840 -0.120 0.000 0.747 441 L CB -0.737 41.267 42.059 -0.092 0.000 0.896 441 L HN 0.112 nan 8.230 nan 0.000 0.432 442 K N -0.693 119.447 120.400 -0.433 0.000 2.020 442 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 442 K C 1.933 178.396 176.600 -0.230 0.000 1.050 442 K CA 1.862 57.886 56.287 -0.438 0.000 0.929 442 K CB -0.130 31.964 32.500 -0.676 0.000 0.714 442 K HN 0.402 nan 8.250 nan 0.000 0.443 443 E N 0.074 120.058 120.200 -0.360 0.000 2.106 443 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 443 E C 1.979 178.524 176.600 -0.092 0.000 0.984 443 E CA 0.978 57.162 56.400 -0.359 0.000 0.806 443 E CB -0.157 28.882 29.700 -1.102 0.000 0.750 443 E HN 0.442 nan 8.360 nan 0.000 0.458 444 A N 1.704 124.514 122.820 -0.017 0.000 1.902 444 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 444 A C 2.431 180.088 177.584 0.122 0.000 1.181 444 A CA 2.032 54.152 52.037 0.138 0.000 0.623 444 A CB -0.522 18.581 19.000 0.170 0.000 0.818 444 A HN 0.270 nan 8.150 nan 0.000 0.443 445 A N -0.327 122.542 122.820 0.081 0.000 1.873 445 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 445 A C 2.169 179.864 177.584 0.185 0.000 1.186 445 A CA 1.396 53.503 52.037 0.117 0.000 0.616 445 A CB -0.607 18.439 19.000 0.077 0.000 0.823 445 A HN 0.461 nan 8.150 nan 0.000 0.442 446 L N -0.682 120.648 121.223 0.177 0.000 2.042 446 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 446 L C 3.088 180.110 176.870 0.253 0.000 1.076 446 L CA 1.152 56.173 54.840 0.302 0.000 0.749 446 L CB -0.532 41.660 42.059 0.222 0.000 0.893 446 L HN 0.455 nan 8.230 nan 0.000 0.432 447 A N -0.216 122.704 122.820 0.167 0.000 1.972 447 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 447 A C 2.486 180.144 177.584 0.123 0.000 1.169 447 A CA 1.679 53.793 52.037 0.128 0.000 0.635 447 A CB -0.565 18.523 19.000 0.147 0.000 0.810 447 A HN 0.423 nan 8.150 nan 0.000 0.446 448 A N -1.411 121.511 122.820 0.169 0.000 1.897 448 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 448 A C 1.935 179.649 177.584 0.217 0.000 1.181 448 A CA 1.481 53.622 52.037 0.174 0.000 0.620 448 A CB -0.777 18.337 19.000 0.188 0.000 0.821 448 A HN 0.870 nan 8.150 nan 0.000 0.443 449 W N 0.260 121.597 121.300 0.062 0.000 2.353 449 W HA -0.048 4.612 4.660 -0.000 0.000 0.319 449 W C 1.675 178.221 176.519 0.044 0.000 1.207 449 W CA 2.186 59.565 57.345 0.056 0.000 1.291 449 W CB -0.059 29.432 29.460 0.051 0.000 1.159 449 W HN 0.413 nan 8.180 nan 0.000 0.478 450 E N -1.727 118.303 120.200 -0.284 0.000 3.730 450 E HA 0.154 4.504 4.350 -0.000 0.000 0.233 450 E C -0.444 176.010 176.600 -0.244 0.000 1.281 450 E CA -0.323 55.761 56.400 -0.526 0.000 1.519 450 E CB 0.966 29.957 29.700 -1.180 0.000 2.292 450 E HN -0.066 nan 8.360 nan 0.000 0.655 451 R N 1.360 121.731 120.500 -0.215 0.000 2.643 451 R HA 0.493 4.833 4.340 -0.000 0.000 0.269 451 R C -3.107 173.198 176.300 0.008 0.000 1.037 451 R CA -1.743 54.313 56.100 -0.074 0.000 0.894 451 R CB 1.961 32.204 30.300 -0.095 0.000 1.238 451 R HN -0.028 nan 8.270 nan 0.000 0.459 452 P HA 0.201 nan 4.420 nan 0.000 0.277 452 P C 0.401 177.731 177.300 0.051 0.000 1.271 452 P CA -0.687 62.466 63.100 0.089 0.000 0.795 452 P CB 0.920 32.713 31.700 0.154 0.000 1.101 453 I N 0.138 120.726 120.570 0.031 0.000 2.480 453 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 453 I C 1.306 177.314 176.117 -0.182 0.000 1.124 453 I CA 1.491 62.726 61.300 -0.108 0.000 1.444 453 I CB -1.312 36.575 38.000 -0.189 0.000 1.098 453 I HN 0.417 nan 8.210 nan 0.000 0.428 454 H N -0.063 119.076 119.070 0.115 0.000 2.507 454 H HA 0.441 4.997 4.556 -0.000 0.000 0.294 454 H C 0.156 175.658 175.328 0.290 0.000 1.064 454 H CA -0.008 56.162 56.048 0.204 0.000 1.138 454 H CB 0.338 30.246 29.762 0.244 0.000 1.515 454 H HN 0.096 nan 8.280 nan 0.000 0.547 455 L N 0.000 121.388 121.223 0.276 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.942 54.840 0.170 0.000 0.813 455 L CB 0.000 42.164 42.059 0.175 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502