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 2f7v_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMTDLLASTL EHLETLVSFD TRNPPRAIAA EGGIFDYLRA QLPGFQVEVI DATA SEQUENCE DHGDGAVSLY AVRGTPKYLF NVHLDTVPDS PHWSADPHVM RRTEDRVIGL DATA SEQUENCE GVCDIKGAAA ALVAAANAGD GDAAFLFSSD EEANDPRCIA AFLARGLPYD DATA SEQUENCE AVLVAEPTMS EAVLAHRGIS SVLMRFAGRA GXXXXXXDPA ASALHQAMRW DATA SEQUENCE GGKALDHVES LAHARFGGLT GLRFNIGRVD GGIKANMIAP AAELRFGFRP DATA SEQUENCE LPSMDVDGLL ATFAGFADPA AAHFEETFRG PSLPSGDIAR AEERRLAARD DATA SEQUENCE VADALDLPIG NAVDFWTEAS LFSAGGYTAL VYGPGDIAQA HTADEFVTLA DATA SEQUENCE QLQRYVESVN RIINGS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.332 175.328 0.007 0.000 0.993 0 H CA 0.000 56.051 56.048 0.005 0.000 1.023 0 H CB 0.000 29.767 29.762 0.008 0.000 1.292 1 M N 3.466 122.848 119.600 -0.362 0.000 2.550 1 M HA 0.506 4.984 4.480 -0.004 0.000 0.292 1 M C -1.182 174.988 176.300 -0.216 0.000 1.221 1 M CA -0.212 54.999 55.300 -0.149 0.000 0.873 1 M CB 2.009 34.557 32.600 -0.085 0.000 1.727 1 M HN 0.710 nan 8.290 nan 0.000 0.459 2 T N -1.177 113.358 114.554 -0.031 0.000 2.896 2 T HA 0.512 4.860 4.350 -0.004 0.000 0.297 2 T C -0.069 174.640 174.700 0.015 0.000 1.108 2 T CA -0.768 61.333 62.100 0.002 0.000 1.004 2 T CB 1.162 70.085 68.868 0.091 0.000 1.159 2 T HN 0.599 nan 8.240 nan 0.000 0.499 3 D N 0.192 120.601 120.400 0.016 0.000 2.144 3 D HA -0.064 4.573 4.640 -0.004 0.000 0.199 3 D C 1.895 178.218 176.300 0.040 0.000 0.984 3 D CA 0.770 54.782 54.000 0.021 0.000 0.834 3 D CB -0.109 40.704 40.800 0.021 0.000 0.955 3 D HN 0.342 nan 8.370 nan 0.000 0.465 4 L N 0.558 121.811 121.223 0.050 0.000 2.046 4 L HA -0.100 4.237 4.340 -0.004 0.000 0.208 4 L C 2.091 179.004 176.870 0.070 0.000 1.077 4 L CA 1.169 56.046 54.840 0.062 0.000 0.747 4 L CB -0.576 41.518 42.059 0.058 0.000 0.896 4 L HN 0.004 nan 8.230 nan 0.000 0.432 5 L N -0.544 120.721 121.223 0.069 0.000 2.109 5 L HA 0.013 4.351 4.340 -0.004 0.000 0.207 5 L C 2.474 179.378 176.870 0.057 0.000 1.086 5 L CA 1.914 56.797 54.840 0.072 0.000 0.760 5 L CB -1.048 41.062 42.059 0.086 0.000 0.910 5 L HN 0.233 nan 8.230 nan 0.000 0.437 6 A N -1.308 121.536 122.820 0.040 0.000 1.908 6 A HA -0.196 4.122 4.320 -0.004 0.000 0.218 6 A C 2.386 179.980 177.584 0.017 0.000 1.181 6 A CA 2.083 54.131 52.037 0.020 0.000 0.627 6 A CB -0.950 18.053 19.000 0.005 0.000 0.818 6 A HN 0.527 nan 8.150 nan 0.000 0.445 7 S N -0.580 115.144 115.700 0.039 0.000 2.368 7 S HA -0.113 4.355 4.470 -0.004 0.000 0.224 7 S C 2.047 176.722 174.600 0.124 0.000 1.029 7 S CA 1.663 59.894 58.200 0.051 0.000 0.988 7 S CB -0.525 62.741 63.200 0.111 0.000 0.838 7 S HN 0.701 nan 8.310 nan 0.000 0.462 8 T N 3.057 117.692 114.554 0.136 0.000 2.684 8 T HA -0.008 4.340 4.350 -0.004 0.000 0.267 8 T C 1.737 176.503 174.700 0.111 0.000 1.036 8 T CA 1.053 63.242 62.100 0.149 0.000 1.148 8 T CB -0.467 68.465 68.868 0.107 0.000 0.863 8 T HN 0.256 nan 8.240 nan 0.000 0.436 9 L N 0.567 121.827 121.223 0.061 0.000 2.083 9 L HA -0.096 4.242 4.340 -0.004 0.000 0.209 9 L C 2.730 179.604 176.870 0.006 0.000 1.083 9 L CA 1.360 56.219 54.840 0.032 0.000 0.752 9 L CB -0.552 41.519 42.059 0.019 0.000 0.899 9 L HN 0.352 nan 8.230 nan 0.000 0.433 10 E N -0.930 119.252 120.200 -0.029 0.000 2.047 10 E HA -0.199 4.148 4.350 -0.004 0.000 0.191 10 E C 2.180 178.728 176.600 -0.086 0.000 0.987 10 E CA 0.931 57.273 56.400 -0.096 0.000 0.799 10 E CB -0.092 29.504 29.700 -0.174 0.000 0.752 10 E HN 0.539 nan 8.360 nan 0.000 0.449 11 H N 0.258 119.364 119.070 0.060 0.000 2.389 11 H HA -0.094 4.460 4.556 -0.004 0.000 0.299 11 H C 2.260 177.616 175.328 0.047 0.000 1.081 11 H CA 0.890 57.004 56.048 0.111 0.000 1.345 11 H CB -0.143 29.688 29.762 0.114 0.000 1.393 11 H HN 0.104 nan 8.280 nan 0.000 0.520 12 L N 1.438 122.740 121.223 0.131 0.000 2.046 12 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 12 L C 2.423 179.288 176.870 -0.007 0.000 1.077 12 L CA 1.672 56.543 54.840 0.052 0.000 0.747 12 L CB -0.605 41.476 42.059 0.037 0.000 0.896 12 L HN 0.188 nan 8.230 nan 0.000 0.432 13 E N -1.379 118.802 120.200 -0.031 0.000 2.085 13 E HA -0.236 4.112 4.350 -0.004 0.000 0.194 13 E C 1.837 178.343 176.600 -0.157 0.000 0.994 13 E CA 1.907 58.260 56.400 -0.079 0.000 0.801 13 E CB -0.029 29.622 29.700 -0.081 0.000 0.743 13 E HN 0.567 nan 8.360 nan 0.000 0.453 14 T N 1.308 115.741 114.554 -0.202 0.000 2.701 14 T HA -0.112 4.235 4.350 -0.004 0.000 0.263 14 T C 1.925 176.386 174.700 -0.399 0.000 1.040 14 T CA 1.129 62.975 62.100 -0.423 0.000 1.147 14 T CB -0.230 68.286 68.868 -0.587 0.000 0.865 14 T HN 0.143 nan 8.240 nan 0.000 0.426 15 L N 0.847 122.001 121.223 -0.114 0.000 2.042 15 L HA -0.117 4.221 4.340 -0.004 0.000 0.210 15 L C 2.670 179.561 176.870 0.035 0.000 1.076 15 L CA 1.008 55.892 54.840 0.073 0.000 0.749 15 L CB -0.798 41.295 42.059 0.057 0.000 0.893 15 L HN 0.147 nan 8.230 nan 0.000 0.432 16 V N -0.104 119.786 119.914 -0.040 0.000 2.407 16 V HA -0.261 3.856 4.120 -0.004 0.000 0.248 16 V C 2.675 178.758 176.094 -0.018 0.000 1.055 16 V CA 1.936 64.218 62.300 -0.030 0.000 1.049 16 V CB -0.521 31.272 31.823 -0.050 0.000 0.662 16 V HN 0.659 nan 8.190 nan 0.000 0.455 17 S N -0.815 114.785 115.700 -0.166 0.000 2.442 17 S HA -0.060 4.408 4.470 -0.004 0.000 0.236 17 S C 0.646 175.088 174.600 -0.263 0.000 1.007 17 S CA 0.496 58.552 58.200 -0.239 0.000 0.965 17 S CB -0.700 62.249 63.200 -0.418 0.000 0.773 17 S HN 0.434 nan 8.310 nan 0.000 0.504 18 F N 2.741 122.630 119.950 -0.101 0.000 2.467 18 F HA 0.314 4.838 4.527 -0.004 0.000 0.362 18 F C 0.672 176.409 175.800 -0.104 0.000 1.090 18 F CA -0.849 57.072 58.000 -0.133 0.000 1.202 18 F CB 0.456 39.366 39.000 -0.150 0.000 1.113 18 F HN 0.052 nan 8.300 nan 0.000 0.541 19 D N 2.710 123.088 120.400 -0.036 0.000 2.344 19 D HA 0.061 4.698 4.640 -0.004 0.000 0.253 19 D C 0.493 176.803 176.300 0.017 0.000 1.255 19 D CA -0.019 53.893 54.000 -0.148 0.000 0.894 19 D CB 0.611 41.192 40.800 -0.365 0.000 1.067 19 D HN 0.606 nan 8.370 nan 0.000 0.492 20 T N 0.663 115.269 114.554 0.087 0.000 3.339 20 T HA 0.282 4.630 4.350 -0.004 0.000 0.292 20 T C 0.766 175.503 174.700 0.061 0.000 1.012 20 T CA -0.703 61.430 62.100 0.055 0.000 0.937 20 T CB -0.122 68.766 68.868 0.035 0.000 1.164 20 T HN 0.190 nan 8.240 nan 0.000 0.509 21 R N 2.107 122.646 120.500 0.064 0.000 2.585 21 R HA 0.312 4.650 4.340 -0.004 0.000 0.275 21 R C -0.298 176.011 176.300 0.015 0.000 1.018 21 R CA -0.026 56.096 56.100 0.036 0.000 1.072 21 R CB 0.116 30.436 30.300 0.033 0.000 0.953 21 R HN 0.265 nan 8.270 nan 0.000 0.419 22 N N 3.479 122.176 118.700 -0.005 0.000 2.533 22 N HA 0.301 5.038 4.740 -0.004 0.000 0.289 22 N C -2.840 172.638 175.510 -0.053 0.000 1.103 22 N CA -2.239 50.800 53.050 -0.017 0.000 0.877 22 N CB 1.629 40.114 38.487 -0.004 0.000 1.419 22 N HN 0.155 nan 8.380 nan 0.000 0.517 23 P HA 0.227 nan 4.420 nan 0.000 0.271 23 P C -2.000 175.287 177.300 -0.022 0.000 1.233 23 P CA -0.916 62.165 63.100 -0.032 0.000 0.789 23 P CB 0.526 32.203 31.700 -0.039 0.000 0.951 24 P HA 0.046 nan 4.420 nan 0.000 0.249 24 P C 0.118 177.419 177.300 0.002 0.000 1.229 24 P CA 0.241 63.335 63.100 -0.010 0.000 0.788 24 P CB 0.202 31.895 31.700 -0.010 0.000 1.072 25 R N 0.023 120.528 120.500 0.009 0.000 3.336 25 R HA -0.173 4.164 4.340 -0.004 0.000 0.260 25 R C -0.284 176.036 176.300 0.033 0.000 1.032 25 R CA 0.251 56.368 56.100 0.027 0.000 0.693 25 R CB -1.943 28.375 30.300 0.031 0.000 1.134 25 R HN 0.223 nan 8.270 nan 0.000 0.433 26 A N 2.002 124.836 122.820 0.023 0.000 3.037 26 A HA 0.346 4.663 4.320 -0.004 0.000 0.272 26 A C 0.338 177.943 177.584 0.035 0.000 1.723 26 A CA -0.116 51.934 52.037 0.021 0.000 1.413 26 A CB -0.130 18.873 19.000 0.006 0.000 1.112 26 A HN 0.372 nan 8.150 nan 0.000 0.606 27 I N 1.544 122.150 120.570 0.060 0.000 2.362 27 I HA 0.514 4.682 4.170 -0.004 0.000 0.289 27 I C 0.523 176.704 176.117 0.107 0.000 0.994 27 I CA -0.324 61.035 61.300 0.098 0.000 1.158 27 I CB 1.861 39.953 38.000 0.154 0.000 1.315 27 I HN 0.457 nan 8.210 nan 0.000 0.451 28 A N 4.181 127.064 122.820 0.105 0.000 2.294 28 A HA 0.792 5.110 4.320 -0.004 0.000 0.330 28 A C 0.881 178.520 177.584 0.091 0.000 1.133 28 A CA -0.141 51.939 52.037 0.071 0.000 0.836 28 A CB 1.373 20.399 19.000 0.043 0.000 1.190 28 A HN 0.860 nan 8.150 nan 0.000 0.492 29 A N 0.566 123.376 122.820 -0.017 0.000 1.929 29 A HA 0.093 4.411 4.320 -0.004 0.000 0.216 29 A C 0.907 178.480 177.584 -0.018 0.000 1.176 29 A CA 1.391 53.356 52.037 -0.120 0.000 0.628 29 A CB -0.505 18.398 19.000 -0.162 0.000 0.816 29 A HN 0.884 nan 8.150 nan 0.000 0.444 30 E N -1.039 119.167 120.200 0.009 0.000 2.231 30 E HA 0.492 4.840 4.350 -0.004 0.000 0.277 30 E C 0.538 177.164 176.600 0.043 0.000 0.999 30 E CA -0.490 55.925 56.400 0.025 0.000 0.827 30 E CB 0.936 30.644 29.700 0.012 0.000 1.101 30 E HN 0.889 nan 8.360 nan 0.000 0.393 31 G N 1.551 110.377 108.800 0.044 0.000 2.750 31 G HA2 0.067 4.025 3.960 -0.004 0.000 0.228 31 G HA3 0.067 4.025 3.960 -0.004 0.000 0.228 31 G C 0.650 175.553 174.900 0.004 0.000 1.367 31 G CA -0.159 44.964 45.100 0.040 0.000 0.871 31 G HN 1.611 nan 8.290 nan 0.000 0.560 32 G N -1.074 107.718 108.800 -0.014 0.000 2.581 32 G HA2 -0.104 3.853 3.960 -0.004 0.000 0.291 32 G HA3 -0.104 3.853 3.960 -0.004 0.000 0.291 32 G C 1.427 175.862 174.900 -0.775 0.000 1.277 32 G CA 1.289 46.261 45.100 -0.213 0.000 0.959 32 G HN 2.106 nan 8.290 nan 0.000 0.554 33 I N -0.331 119.402 120.570 -1.395 0.000 2.264 33 I HA -0.101 4.066 4.170 -0.004 0.000 0.248 33 I C 2.592 178.269 176.117 -0.734 0.000 1.111 33 I CA 2.357 62.707 61.300 -1.583 0.000 1.382 33 I CB -0.199 37.078 38.000 -1.204 0.000 1.060 33 I HN 0.455 nan 8.210 nan 0.000 0.418 34 F N 0.663 120.419 119.950 -0.324 0.000 2.259 34 F HA -0.192 4.332 4.527 -0.004 0.000 0.298 34 F C 2.123 177.851 175.800 -0.121 0.000 1.088 34 F CA 1.074 58.968 58.000 -0.175 0.000 1.358 34 F CB -0.396 38.542 39.000 -0.103 0.000 1.040 34 F HN 0.088 nan 8.300 nan 0.000 0.505 35 D N -0.953 119.481 120.400 0.057 0.000 2.178 35 D HA -0.204 4.433 4.640 -0.004 0.000 0.202 35 D C 1.845 178.183 176.300 0.064 0.000 0.974 35 D CA 0.974 55.010 54.000 0.060 0.000 0.841 35 D CB -0.408 40.430 40.800 0.064 0.000 0.953 35 D HN 0.273 nan 8.370 nan 0.000 0.478 36 Y N 1.140 121.388 120.300 -0.088 0.000 2.133 36 Y HA -0.093 4.454 4.550 -0.004 0.000 0.287 36 Y C 2.016 177.885 175.900 -0.050 0.000 1.134 36 Y CA 1.294 59.385 58.100 -0.016 0.000 1.133 36 Y CB -0.501 37.993 38.460 0.057 0.000 0.987 36 Y HN -0.086 nan 8.280 nan 0.000 0.502 37 L N 0.005 121.074 121.223 -0.258 0.000 2.131 37 L HA -0.232 4.105 4.340 -0.004 0.000 0.210 37 L C 2.542 179.276 176.870 -0.226 0.000 1.092 37 L CA 1.370 55.991 54.840 -0.365 0.000 0.759 37 L CB -0.515 41.325 42.059 -0.364 0.000 0.903 37 L HN 0.190 nan 8.230 nan 0.000 0.435 38 R N 0.080 120.521 120.500 -0.099 0.000 2.127 38 R HA -0.130 4.207 4.340 -0.004 0.000 0.238 38 R C 2.018 178.278 176.300 -0.067 0.000 1.134 38 R CA 1.382 57.459 56.100 -0.038 0.000 0.975 38 R CB -0.369 29.939 30.300 0.013 0.000 0.865 38 R HN 0.331 nan 8.270 nan 0.000 0.447 39 A N 0.227 122.979 122.820 -0.113 0.000 2.275 39 A HA 0.040 4.358 4.320 -0.004 0.000 0.212 39 A C 1.035 178.533 177.584 -0.143 0.000 1.201 39 A CA 0.239 52.220 52.037 -0.092 0.000 0.843 39 A CB 0.444 19.415 19.000 -0.049 0.000 0.873 39 A HN 0.080 nan 8.150 nan 0.000 0.492 40 Q N -0.569 119.084 119.800 -0.244 0.000 2.155 40 Q HA 0.360 4.698 4.340 -0.004 0.000 0.220 40 Q C -0.581 175.304 176.000 -0.191 0.000 0.819 40 Q CA 0.297 55.955 55.803 -0.243 0.000 1.032 40 Q CB 0.563 29.022 28.738 -0.466 0.000 1.151 40 Q HN 0.577 nan 8.270 nan 0.000 0.487 41 L N 2.997 124.130 121.223 -0.148 0.000 2.556 41 L HA 0.327 4.665 4.340 -0.004 0.000 0.243 41 L C -2.244 174.700 176.870 0.123 0.000 1.331 41 L CA -1.477 53.247 54.840 -0.192 0.000 0.927 41 L CB 1.088 42.886 42.059 -0.436 0.000 1.219 41 L HN -0.169 nan 8.230 nan 0.000 0.490 42 P HA 0.080 nan 4.420 nan 0.000 0.267 42 P C 0.930 178.386 177.300 0.260 0.000 1.205 42 P CA 0.852 64.062 63.100 0.183 0.000 0.765 42 P CB 1.465 33.235 31.700 0.117 0.000 0.828 43 G N 1.955 110.840 108.800 0.142 0.000 2.205 43 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.261 43 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.261 43 G C -0.163 174.707 174.900 -0.051 0.000 0.980 43 G CA -0.354 44.757 45.100 0.017 0.000 0.632 43 G HN 0.424 nan 8.290 nan 0.000 0.533 44 F N 1.451 121.366 119.950 -0.058 0.000 2.379 44 F HA 0.557 5.081 4.527 -0.004 0.000 0.332 44 F C 0.864 176.630 175.800 -0.058 0.000 1.096 44 F CA -0.644 57.307 58.000 -0.081 0.000 1.105 44 F CB 1.088 40.032 39.000 -0.094 0.000 1.189 44 F HN -0.065 nan 8.300 nan 0.000 0.515 45 Q N 2.559 122.413 119.800 0.091 0.000 2.294 45 Q HA 0.402 4.740 4.340 -0.004 0.000 0.257 45 Q C -0.779 175.261 176.000 0.067 0.000 0.955 45 Q CA -0.318 55.512 55.803 0.045 0.000 0.936 45 Q CB 1.869 30.602 28.738 -0.009 0.000 1.188 45 Q HN 0.369 nan 8.270 nan 0.000 0.420 46 V N 2.436 122.397 119.914 0.078 0.000 2.555 46 V HA 0.417 4.535 4.120 -0.004 0.000 0.302 46 V C -0.201 175.946 176.094 0.089 0.000 1.038 46 V CA -0.688 61.665 62.300 0.088 0.000 0.887 46 V CB 2.123 34.002 31.823 0.092 0.000 0.991 46 V HN 0.733 nan 8.190 nan 0.000 0.434 47 E N 3.204 123.479 120.200 0.124 0.000 2.275 47 E HA 0.641 4.989 4.350 -0.004 0.000 0.270 47 E C -2.074 174.595 176.600 0.116 0.000 0.882 47 E CA -0.503 55.973 56.400 0.126 0.000 0.758 47 E CB 2.421 32.230 29.700 0.183 0.000 1.195 47 E HN 0.428 nan 8.360 nan 0.000 0.419 48 V N 6.219 126.151 119.914 0.029 0.000 2.384 48 V HA 0.423 4.540 4.120 -0.004 0.000 0.287 48 V C -0.171 175.847 176.094 -0.126 0.000 1.020 48 V CA -0.533 61.719 62.300 -0.081 0.000 0.850 48 V CB 1.272 33.009 31.823 -0.144 0.000 0.987 48 V HN 0.624 nan 8.190 nan 0.000 0.436 49 I N 3.807 124.265 120.570 -0.186 0.000 2.382 49 I HA 0.374 4.541 4.170 -0.004 0.000 0.286 49 I C -0.556 175.269 176.117 -0.487 0.000 1.002 49 I CA -0.470 60.657 61.300 -0.287 0.000 1.135 49 I CB 1.771 39.615 38.000 -0.259 0.000 1.288 49 I HN 0.473 nan 8.210 nan 0.000 0.448 50 D N 5.560 125.732 120.400 -0.380 0.000 2.339 50 D HA 0.140 4.778 4.640 -0.004 0.000 0.241 50 D C 0.713 176.825 176.300 -0.313 0.000 1.183 50 D CA 0.038 53.858 54.000 -0.300 0.000 0.859 50 D CB 0.678 41.380 40.800 -0.164 0.000 1.067 50 D HN 0.422 nan 8.370 nan 0.000 0.484 51 H N 2.772 121.833 119.070 -0.015 0.000 2.539 51 H HA 0.307 4.860 4.556 -0.004 0.000 0.269 51 H C 1.128 176.460 175.328 0.007 0.000 0.980 51 H CA 0.599 56.650 56.048 0.005 0.000 1.152 51 H CB 0.383 30.156 29.762 0.019 0.000 1.407 51 H HN 0.650 nan 8.280 nan 0.000 0.564 52 G N 1.329 110.170 108.800 0.069 0.000 2.692 52 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.686 52 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.686 52 G C -0.667 174.266 174.900 0.056 0.000 1.243 52 G CA -0.454 44.676 45.100 0.049 0.000 0.782 52 G HN 0.263 nan 8.290 nan 0.000 0.625 53 D N -0.750 119.672 120.400 0.038 0.000 2.751 53 D HA -0.022 4.616 4.640 -0.004 0.000 0.233 53 D C 1.827 178.156 176.300 0.047 0.000 1.149 53 D CA 3.482 57.503 54.000 0.036 0.000 0.682 53 D CB -1.318 39.502 40.800 0.033 0.000 1.068 53 D HN 2.482 nan 8.370 nan 0.000 0.429 54 G N -1.541 107.291 108.800 0.054 0.000 2.175 54 G HA2 -0.121 3.836 3.960 -0.004 0.000 0.244 54 G HA3 -0.121 3.836 3.960 -0.004 0.000 0.244 54 G C 0.411 175.375 174.900 0.107 0.000 0.982 54 G CA 0.417 45.562 45.100 0.075 0.000 0.641 54 G HN 1.270 nan 8.290 nan 0.000 0.527 55 A N 0.443 123.329 122.820 0.109 0.000 2.478 55 A HA 0.740 5.057 4.320 -0.004 0.000 0.327 55 A C 0.047 177.731 177.584 0.165 0.000 1.431 55 A CA 0.007 52.137 52.037 0.155 0.000 1.014 55 A CB 0.773 19.867 19.000 0.156 0.000 1.143 55 A HN 1.118 nan 8.150 nan 0.000 0.532 56 V N 1.782 121.780 119.914 0.140 0.000 2.735 56 V HA 0.622 4.739 4.120 -0.004 0.000 0.310 56 V C 0.152 176.240 176.094 -0.010 0.000 1.061 56 V CA -0.488 61.772 62.300 -0.066 0.000 0.913 56 V CB 2.182 33.805 31.823 -0.333 0.000 1.005 56 V HN 0.759 nan 8.190 nan 0.000 0.428 57 S N 3.502 119.143 115.700 -0.098 0.000 2.536 57 S HA 0.753 5.221 4.470 -0.004 0.000 0.298 57 S C -0.901 173.707 174.600 0.013 0.000 1.083 57 S CA -0.521 57.735 58.200 0.093 0.000 0.995 57 S CB 1.812 65.156 63.200 0.240 0.000 1.058 57 S HN 0.682 nan 8.310 nan 0.000 0.488 58 L N 3.557 124.953 121.223 0.287 0.000 2.342 58 L HA 0.544 4.882 4.340 -0.004 0.000 0.276 58 L C -1.852 175.275 176.870 0.429 0.000 0.997 58 L CA -0.719 54.328 54.840 0.345 0.000 0.838 58 L CB 0.765 43.159 42.059 0.560 0.000 1.224 58 L HN 0.741 nan 8.230 nan 0.000 0.416 59 Y N 5.117 125.544 120.300 0.211 0.000 2.331 59 Y HA 0.730 5.278 4.550 -0.004 0.000 0.338 59 Y C -0.577 175.460 175.900 0.229 0.000 0.976 59 Y CA -1.144 57.083 58.100 0.210 0.000 1.137 59 Y CB 1.466 40.088 38.460 0.270 0.000 1.172 59 Y HN 0.592 nan 8.280 nan 0.000 0.478 60 A N 5.838 128.695 122.820 0.061 0.000 2.356 60 A HA 0.822 5.140 4.320 -0.004 0.000 0.310 60 A C -1.832 175.757 177.584 0.009 0.000 1.075 60 A CA -0.636 51.427 52.037 0.044 0.000 0.746 60 A CB 1.167 20.234 19.000 0.111 0.000 1.221 60 A HN 0.522 nan 8.150 nan 0.000 0.443 61 V N 2.298 122.203 119.914 -0.014 0.000 2.638 61 V HA 0.611 4.728 4.120 -0.004 0.000 0.306 61 V C -0.121 175.824 176.094 -0.248 0.000 1.052 61 V CA -0.585 61.651 62.300 -0.106 0.000 0.885 61 V CB 1.844 33.556 31.823 -0.184 0.000 0.999 61 V HN 0.952 nan 8.190 nan 0.000 0.424 62 R N 2.911 123.080 120.500 -0.551 0.000 2.409 62 R HA 0.662 5.000 4.340 -0.004 0.000 0.313 62 R C 0.573 176.645 176.300 -0.381 0.000 0.953 62 R CA 0.716 56.388 56.100 -0.713 0.000 0.849 62 R CB 1.414 30.805 30.300 -1.515 0.000 1.171 62 R HN 1.222 nan 8.270 nan 0.000 0.458 63 G N 2.039 110.695 108.800 -0.241 0.000 2.528 63 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.262 63 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.262 63 G C -0.215 174.627 174.900 -0.097 0.000 1.200 63 G CA 0.169 45.181 45.100 -0.146 0.000 0.951 63 G HN 0.802 nan 8.290 nan 0.000 0.566 64 T N -0.488 114.026 114.554 -0.066 0.000 3.466 64 T HA 0.641 4.989 4.350 -0.004 0.000 0.297 64 T C -2.004 172.683 174.700 -0.022 0.000 1.640 64 T CA -0.252 61.820 62.100 -0.046 0.000 1.631 64 T CB 1.688 70.526 68.868 -0.050 0.000 0.928 64 T HN 0.694 nan 8.240 nan 0.000 0.688 65 P HA 0.289 nan 4.420 nan 0.000 0.269 65 P C 0.071 177.417 177.300 0.078 0.000 1.209 65 P CA -0.302 62.854 63.100 0.094 0.000 0.776 65 P CB 1.407 33.218 31.700 0.184 0.000 0.876 66 K N 0.901 121.280 120.400 -0.036 0.000 2.352 66 K HA 0.140 4.458 4.320 -0.004 0.000 0.194 66 K C 0.025 176.446 176.600 -0.298 0.000 1.038 66 K CA 0.640 56.769 56.287 -0.263 0.000 1.023 66 K CB -0.045 32.128 32.500 -0.545 0.000 0.840 66 K HN 0.482 nan 8.250 nan 0.000 0.519 67 Y N -0.396 120.048 120.300 0.239 0.000 2.509 67 Y HA 0.489 5.036 4.550 -0.004 0.000 0.341 67 Y C -0.688 175.167 175.900 -0.075 0.000 1.038 67 Y CA -1.653 56.485 58.100 0.063 0.000 1.089 67 Y CB 1.433 39.810 38.460 -0.138 0.000 1.241 67 Y HN -0.250 nan 8.280 nan 0.000 0.468 68 L N 2.621 123.680 121.223 -0.273 0.000 2.341 68 L HA 0.625 4.963 4.340 -0.004 0.000 0.278 68 L C -1.893 174.725 176.870 -0.420 0.000 1.005 68 L CA -0.687 53.853 54.840 -0.500 0.000 0.818 68 L CB 0.584 42.015 42.059 -1.048 0.000 1.259 68 L HN 0.446 nan 8.230 nan 0.000 0.418 69 F N 4.496 124.380 119.950 -0.110 0.000 2.411 69 F HA 0.431 4.956 4.527 -0.004 0.000 0.352 69 F C 0.468 176.100 175.800 -0.279 0.000 1.123 69 F CA -0.267 57.654 58.000 -0.132 0.000 1.044 69 F CB 1.184 40.163 39.000 -0.036 0.000 1.135 69 F HN 0.574 nan 8.300 nan 0.000 0.461 70 N N 3.233 121.831 118.700 -0.169 0.000 2.400 70 N HA 0.643 5.380 4.740 -0.004 0.000 0.288 70 N C -1.926 173.526 175.510 -0.096 0.000 1.024 70 N CA -0.300 52.632 53.050 -0.196 0.000 0.894 70 N CB 1.621 39.980 38.487 -0.214 0.000 1.173 70 N HN 0.381 nan 8.380 nan 0.000 0.487 71 V N 3.074 122.927 119.914 -0.101 0.000 2.569 71 V HA 0.208 4.325 4.120 -0.004 0.000 0.301 71 V C -0.708 175.458 176.094 0.120 0.000 1.044 71 V CA -0.884 61.409 62.300 -0.011 0.000 0.874 71 V CB 1.174 32.997 31.823 0.001 0.000 1.002 71 V HN 0.862 nan 8.190 nan 0.000 0.424 72 H N 3.767 122.894 119.070 0.094 0.000 2.610 72 H HA 0.604 5.157 4.556 -0.004 0.000 0.336 72 H C 0.175 175.564 175.328 0.101 0.000 1.087 72 H CA -0.589 55.528 56.048 0.116 0.000 1.405 72 H CB 0.953 30.769 29.762 0.091 0.000 1.460 72 H HN 0.467 nan 8.280 nan 0.000 0.538 73 L N 1.204 122.533 121.223 0.176 0.000 2.554 73 L HA 0.078 4.415 4.340 -0.004 0.000 0.225 73 L C 0.353 177.274 176.870 0.084 0.000 1.104 73 L CA -0.187 54.673 54.840 0.034 0.000 0.866 73 L CB -0.197 41.804 42.059 -0.097 0.000 1.047 73 L HN 0.768 nan 8.230 nan 0.000 0.468 74 D N 0.527 121.061 120.400 0.223 0.000 2.344 74 D HA 0.182 4.820 4.640 -0.004 0.000 0.244 74 D C 0.271 176.697 176.300 0.210 0.000 1.134 74 D CA -0.038 54.066 54.000 0.173 0.000 0.930 74 D CB 1.201 42.084 40.800 0.137 0.000 1.175 74 D HN -0.027 nan 8.370 nan 0.000 0.437 75 T N -3.045 111.578 114.554 0.115 0.000 2.907 75 T HA 0.556 4.904 4.350 -0.004 0.000 0.290 75 T C 0.453 175.169 174.700 0.027 0.000 1.066 75 T CA -0.806 61.353 62.100 0.098 0.000 1.012 75 T CB 0.992 69.891 68.868 0.052 0.000 1.184 75 T HN 0.495 nan 8.240 nan 0.000 0.522 76 V N -1.583 118.324 119.914 -0.012 0.000 3.264 76 V HA 0.579 4.696 4.120 -0.004 0.000 0.304 76 V C -2.617 173.443 176.094 -0.056 0.000 1.086 76 V CA -2.135 60.097 62.300 -0.114 0.000 1.090 76 V CB -0.686 30.958 31.823 -0.297 0.000 1.112 76 V HN 0.778 nan 8.190 nan 0.000 0.472 77 P HA 0.166 nan 4.420 nan 0.000 0.272 77 P C -0.763 176.521 177.300 -0.027 0.000 1.240 77 P CA -0.119 62.956 63.100 -0.042 0.000 0.791 77 P CB 0.288 31.963 31.700 -0.042 0.000 0.978 78 D N -0.190 120.165 120.400 -0.075 0.000 2.423 78 D HA 0.198 4.836 4.640 -0.004 0.000 0.255 78 D C -0.074 176.270 176.300 0.073 0.000 1.174 78 D CA -0.159 53.764 54.000 -0.128 0.000 1.008 78 D CB 0.093 40.620 40.800 -0.456 0.000 1.101 78 D HN 0.288 nan 8.370 nan 0.000 0.516 79 S N -0.880 115.029 115.700 0.348 0.000 3.175 79 S HA -0.157 4.310 4.470 -0.004 0.000 0.637 79 S C -2.446 172.271 174.600 0.195 0.000 2.824 79 S CA 0.160 58.616 58.200 0.427 0.000 3.014 79 S CB -1.721 61.580 63.200 0.169 0.000 0.331 79 S HN 0.685 nan 8.310 nan 0.000 1.796 80 P HA 0.461 nan 4.420 nan 0.000 0.274 80 P C 0.113 177.363 177.300 -0.083 0.000 1.237 80 P CA 0.060 63.082 63.100 -0.131 0.000 0.793 80 P CB 0.225 31.702 31.700 -0.372 0.000 0.977 81 H N -3.131 116.003 119.070 0.107 0.000 3.278 81 H HA -0.114 4.439 4.556 -0.004 0.000 0.208 81 H C -0.644 174.711 175.328 0.045 0.000 1.117 81 H CA 0.037 56.115 56.048 0.051 0.000 1.150 81 H CB -2.132 27.620 29.762 -0.017 0.000 1.146 81 H HN 0.461 nan 8.280 nan 0.000 0.316 82 W N 2.423 123.760 121.300 0.061 0.000 2.251 82 W HA 0.171 4.829 4.660 -0.004 0.000 0.327 82 W C 1.818 178.358 176.519 0.035 0.000 1.361 82 W CA 1.010 58.377 57.345 0.036 0.000 1.234 82 W CB 0.623 30.082 29.460 -0.002 0.000 1.212 82 W HN 0.225 nan 8.180 nan 0.000 0.557 83 S N 1.906 117.718 115.700 0.187 0.000 2.562 83 S HA 0.474 4.941 4.470 -0.004 0.000 0.221 83 S C 0.508 175.195 174.600 0.145 0.000 0.975 83 S CA 0.299 58.575 58.200 0.127 0.000 0.918 83 S CB -0.006 63.226 63.200 0.054 0.000 0.772 83 S HN 0.544 nan 8.310 nan 0.000 0.531 84 A N 0.514 123.469 122.820 0.224 0.000 2.581 84 A HA 0.525 4.843 4.320 -0.004 0.000 0.290 84 A C -1.460 176.215 177.584 0.150 0.000 1.119 84 A CA -0.683 51.448 52.037 0.156 0.000 0.670 84 A CB 0.169 19.242 19.000 0.122 0.000 1.280 84 A HN 0.099 nan 8.150 nan 0.000 0.425 85 D N 0.690 121.121 120.400 0.052 0.000 2.570 85 D HA 0.094 4.732 4.640 -0.004 0.000 0.243 85 D C -1.472 174.747 176.300 -0.134 0.000 1.171 85 D CA -0.629 53.353 54.000 -0.030 0.000 0.879 85 D CB 0.870 41.659 40.800 -0.018 0.000 1.143 85 D HN 0.098 nan 8.370 nan 0.000 0.511 86 P HA -0.100 nan 4.420 nan 0.000 0.222 86 P C 0.595 177.456 177.300 -0.731 0.000 1.147 86 P CA 0.965 63.471 63.100 -0.990 0.000 0.790 86 P CB 0.160 30.895 31.700 -1.607 0.000 0.780 87 H N -1.946 116.952 119.070 -0.286 0.000 2.529 87 H HA 0.236 4.789 4.556 -0.004 0.000 0.277 87 H C -0.045 175.190 175.328 -0.154 0.000 1.004 87 H CA 0.186 56.111 56.048 -0.205 0.000 1.167 87 H CB 0.474 30.125 29.762 -0.186 0.000 1.445 87 H HN -0.027 nan 8.280 nan 0.000 0.554 88 V N 2.561 122.443 119.914 -0.054 0.000 2.304 88 V HA 0.093 4.210 4.120 -0.004 0.000 0.278 88 V C 0.413 176.494 176.094 -0.022 0.000 1.018 88 V CA -0.458 61.818 62.300 -0.040 0.000 0.814 88 V CB 1.703 33.510 31.823 -0.026 0.000 1.021 88 V HN 0.249 nan 8.190 nan 0.000 0.440 89 M N 5.428 125.011 119.600 -0.028 0.000 2.260 89 M HA 0.240 4.718 4.480 -0.004 0.000 0.348 89 M C 0.206 176.515 176.300 0.014 0.000 1.342 89 M CA 0.677 55.979 55.300 0.003 0.000 1.040 89 M CB 0.167 32.760 32.600 -0.012 0.000 1.810 89 M HN 0.579 nan 8.290 nan 0.000 0.453 90 R N 3.397 123.922 120.500 0.043 0.000 2.787 90 R HA 0.650 4.988 4.340 -0.004 0.000 0.271 90 R C -0.908 175.407 176.300 0.024 0.000 0.993 90 R CA -0.873 55.246 56.100 0.032 0.000 0.993 90 R CB 1.891 32.220 30.300 0.048 0.000 1.155 90 R HN 0.656 nan 8.270 nan 0.000 0.486 91 R N 0.450 120.955 120.500 0.008 0.000 2.628 91 R HA 0.352 4.690 4.340 -0.004 0.000 0.288 91 R C -0.887 175.404 176.300 -0.014 0.000 0.980 91 R CA -0.368 55.732 56.100 -0.000 0.000 0.891 91 R CB 1.850 32.149 30.300 -0.002 0.000 1.188 91 R HN 0.862 nan 8.270 nan 0.000 0.450 92 T N -0.964 113.574 114.554 -0.027 0.000 2.807 92 T HA 0.222 4.570 4.350 -0.004 0.000 0.277 92 T C 0.847 175.525 174.700 -0.036 0.000 1.006 92 T CA -0.670 61.405 62.100 -0.042 0.000 1.006 92 T CB 1.366 70.188 68.868 -0.076 0.000 1.274 92 T HN 0.568 nan 8.240 nan 0.000 0.569 93 E N 0.681 120.857 120.200 -0.040 0.000 2.153 93 E HA -0.131 4.216 4.350 -0.004 0.000 0.194 93 E C 1.199 177.784 176.600 -0.025 0.000 0.988 93 E CA 1.959 58.342 56.400 -0.028 0.000 0.811 93 E CB -0.105 29.578 29.700 -0.029 0.000 0.746 93 E HN 0.759 nan 8.360 nan 0.000 0.466 94 D N -1.318 119.054 120.400 -0.046 0.000 2.520 94 D HA 0.036 4.674 4.640 -0.004 0.000 0.223 94 D C 0.214 176.490 176.300 -0.041 0.000 1.186 94 D CA -0.238 53.739 54.000 -0.039 0.000 0.821 94 D CB 0.226 40.994 40.800 -0.053 0.000 1.072 94 D HN 0.193 nan 8.370 nan 0.000 0.518 95 R N -0.559 119.910 120.500 -0.051 0.000 2.728 95 R HA 0.573 4.911 4.340 -0.004 0.000 0.274 95 R C -1.437 174.865 176.300 0.004 0.000 1.030 95 R CA -0.917 55.171 56.100 -0.021 0.000 0.876 95 R CB 1.192 31.436 30.300 -0.093 0.000 1.259 95 R HN -0.098 nan 8.270 nan 0.000 0.468 96 V N -1.211 118.738 119.914 0.059 0.000 2.864 96 V HA 0.752 4.870 4.120 -0.004 0.000 0.314 96 V C -0.235 175.931 176.094 0.119 0.000 1.073 96 V CA -0.992 61.346 62.300 0.063 0.000 0.956 96 V CB 1.773 33.627 31.823 0.051 0.000 1.023 96 V HN 0.717 nan 8.190 nan 0.000 0.435 97 I N 2.447 123.086 120.570 0.115 0.000 2.509 97 I HA 0.938 5.105 4.170 -0.004 0.000 0.293 97 I C 0.412 176.653 176.117 0.207 0.000 1.020 97 I CA -0.356 61.050 61.300 0.177 0.000 1.088 97 I CB 1.988 40.078 38.000 0.149 0.000 1.267 97 I HN 1.151 nan 8.210 nan 0.000 0.430 98 G N 4.585 113.567 108.800 0.303 0.000 2.384 98 G HA2 0.346 4.304 3.960 -0.004 0.000 0.300 98 G HA3 0.346 4.304 3.960 -0.004 0.000 0.300 98 G C -1.958 173.071 174.900 0.215 0.000 1.582 98 G CA -0.942 44.289 45.100 0.219 0.000 0.875 98 G HN 0.388 nan 8.290 nan 0.000 0.628 99 L N 1.837 122.969 121.223 -0.151 0.000 2.562 99 L HA 0.492 4.829 4.340 -0.004 0.000 0.271 99 L C 1.524 178.361 176.870 -0.055 0.000 1.167 99 L CA 2.165 56.902 54.840 -0.171 0.000 0.917 99 L CB 0.319 42.014 42.059 -0.607 0.000 1.187 99 L HN 2.253 nan 8.230 nan 0.000 0.482 100 G N 2.683 111.506 108.800 0.039 0.000 2.175 100 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.244 100 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.244 100 G C 0.756 175.644 174.900 -0.020 0.000 0.982 100 G CA 0.766 45.871 45.100 0.009 0.000 0.641 100 G HN 1.249 nan 8.290 nan 0.000 0.527 101 V N -2.025 117.892 119.914 0.005 0.000 2.490 101 V HA -0.098 4.020 4.120 -0.004 0.000 0.250 101 V C 2.571 178.627 176.094 -0.062 0.000 1.061 101 V CA 2.446 64.738 62.300 -0.013 0.000 1.064 101 V CB -1.001 30.842 31.823 0.034 0.000 0.670 101 V HN 0.973 nan 8.190 nan 0.000 0.461 102 C N 0.191 119.441 119.300 -0.083 0.000 2.525 102 C HA 0.284 4.742 4.460 -0.004 0.000 0.291 102 C C 1.026 175.912 174.990 -0.172 0.000 1.351 102 C CA 0.741 59.667 59.018 -0.153 0.000 1.771 102 C CB -0.605 27.007 27.740 -0.214 0.000 2.177 102 C HN 0.720 nan 8.230 nan 0.000 0.510 103 D N 0.453 120.779 120.400 -0.122 0.000 2.408 103 D HA 0.376 5.014 4.640 -0.004 0.000 0.261 103 D C -0.479 175.783 176.300 -0.064 0.000 1.190 103 D CA -0.105 53.836 54.000 -0.097 0.000 0.910 103 D CB 0.579 41.344 40.800 -0.058 0.000 1.097 103 D HN 0.306 nan 8.370 nan 0.000 0.522 104 I N 2.818 123.252 120.570 -0.228 0.000 3.297 104 I HA 0.203 4.371 4.170 -0.004 0.000 0.321 104 I C 0.962 176.931 176.117 -0.246 0.000 1.503 104 I CA -0.101 61.031 61.300 -0.281 0.000 0.929 104 I CB 0.084 37.854 38.000 -0.384 0.000 1.531 104 I HN 0.144 nan 8.210 nan 0.000 0.599 105 K N 0.212 120.511 120.400 -0.167 0.000 2.280 105 K HA 0.010 4.327 4.320 -0.004 0.000 0.202 105 K C 1.938 178.480 176.600 -0.096 0.000 1.047 105 K CA 1.193 57.412 56.287 -0.113 0.000 0.942 105 K CB -0.139 32.322 32.500 -0.066 0.000 0.739 105 K HN 0.579 nan 8.250 nan 0.000 0.457 106 G N 1.312 110.040 108.800 -0.120 0.000 2.422 106 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.218 106 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.218 106 G C 1.585 176.402 174.900 -0.138 0.000 1.146 106 G CA 0.943 45.977 45.100 -0.108 0.000 0.769 106 G HN 0.353 nan 8.290 nan 0.000 0.547 107 A N 1.069 123.736 122.820 -0.255 0.000 1.930 107 A HA 0.345 4.663 4.320 -0.004 0.000 0.217 107 A C 2.802 180.365 177.584 -0.036 0.000 1.175 107 A CA 2.061 53.927 52.037 -0.286 0.000 0.627 107 A CB -0.702 18.038 19.000 -0.433 0.000 0.815 107 A HN 0.726 nan 8.150 nan 0.000 0.443 108 A N -0.019 122.773 122.820 -0.047 0.000 1.902 108 A HA 0.165 4.482 4.320 -0.004 0.000 0.217 108 A C 2.502 180.059 177.584 -0.044 0.000 1.181 108 A CA 2.050 54.103 52.037 0.027 0.000 0.623 108 A CB -1.011 17.994 19.000 0.008 0.000 0.818 108 A HN 1.028 nan 8.150 nan 0.000 0.443 109 A N -0.151 122.655 122.820 -0.023 0.000 1.902 109 A HA 0.152 4.470 4.320 -0.004 0.000 0.217 109 A C 2.500 180.096 177.584 0.021 0.000 1.181 109 A CA 2.132 54.181 52.037 0.020 0.000 0.623 109 A CB -0.985 18.061 19.000 0.077 0.000 0.818 109 A HN 1.039 nan 8.150 nan 0.000 0.443 110 A N -0.332 122.521 122.820 0.055 0.000 1.898 110 A HA -0.006 4.311 4.320 -0.004 0.000 0.216 110 A C 2.165 179.733 177.584 -0.027 0.000 1.181 110 A CA 1.435 53.521 52.037 0.081 0.000 0.620 110 A CB -0.593 18.564 19.000 0.261 0.000 0.819 110 A HN 0.462 nan 8.150 nan 0.000 0.442 111 L N -0.523 120.634 121.223 -0.110 0.000 2.083 111 L HA -0.154 4.183 4.340 -0.004 0.000 0.209 111 L C 2.487 179.255 176.870 -0.170 0.000 1.083 111 L CA 0.960 55.607 54.840 -0.321 0.000 0.752 111 L CB -0.458 41.142 42.059 -0.765 0.000 0.899 111 L HN 0.247 nan 8.230 nan 0.000 0.433 112 V N -0.124 119.681 119.914 -0.182 0.000 2.427 112 V HA -0.252 3.865 4.120 -0.004 0.000 0.248 112 V C 2.720 178.697 176.094 -0.194 0.000 1.051 112 V CA 1.651 63.813 62.300 -0.231 0.000 1.048 112 V CB -0.771 30.731 31.823 -0.535 0.000 0.666 112 V HN 0.470 nan 8.190 nan 0.000 0.456 113 A N 0.174 122.934 122.820 -0.101 0.000 1.902 113 A HA -0.141 4.176 4.320 -0.004 0.000 0.217 113 A C 2.437 180.063 177.584 0.071 0.000 1.181 113 A CA 2.132 54.213 52.037 0.074 0.000 0.623 113 A CB -0.798 18.282 19.000 0.135 0.000 0.818 113 A HN 0.563 nan 8.150 nan 0.000 0.443 114 A N -0.195 122.655 122.820 0.049 0.000 1.933 114 A HA 0.164 4.482 4.320 -0.004 0.000 0.218 114 A C 2.478 180.144 177.584 0.137 0.000 1.175 114 A CA 2.025 54.105 52.037 0.072 0.000 0.628 114 A CB -0.980 18.039 19.000 0.030 0.000 0.814 114 A HN 1.105 nan 8.150 nan 0.000 0.444 115 A N -0.110 122.831 122.820 0.201 0.000 1.972 115 A HA -0.155 4.163 4.320 -0.004 0.000 0.219 115 A C 1.758 179.460 177.584 0.197 0.000 1.169 115 A CA 1.530 53.737 52.037 0.283 0.000 0.635 115 A CB -0.463 18.699 19.000 0.269 0.000 0.810 115 A HN 0.572 nan 8.150 nan 0.000 0.446 116 N N -0.684 118.091 118.700 0.126 0.000 2.336 116 N HA 0.200 4.938 4.740 -0.004 0.000 0.189 116 N C 1.035 176.605 175.510 0.100 0.000 1.113 116 N CA 0.809 53.928 53.050 0.114 0.000 0.858 116 N CB 0.420 38.984 38.487 0.129 0.000 0.970 116 N HN 0.475 nan 8.380 nan 0.000 0.471 117 A N -0.126 122.751 122.820 0.094 0.000 2.390 117 A HA 0.547 4.864 4.320 -0.004 0.000 0.232 117 A C 0.857 178.478 177.584 0.062 0.000 1.233 117 A CA 0.170 52.251 52.037 0.073 0.000 0.907 117 A CB 0.513 19.553 19.000 0.068 0.000 0.967 117 A HN 0.205 nan 8.150 nan 0.000 0.512 118 G N -0.339 108.502 108.800 0.068 0.000 2.466 118 G HA2 0.414 4.372 3.960 -0.004 0.000 0.291 118 G HA3 0.414 4.372 3.960 -0.004 0.000 0.291 118 G C -1.449 173.481 174.900 0.048 0.000 1.460 118 G CA 0.105 45.235 45.100 0.050 0.000 0.791 118 G HN 0.119 nan 8.290 nan 0.000 0.505 119 D N -0.483 119.928 120.400 0.017 0.000 2.615 119 D HA 0.384 5.021 4.640 -0.004 0.000 0.236 119 D C 1.105 177.371 176.300 -0.057 0.000 1.233 119 D CA 0.107 54.094 54.000 -0.021 0.000 0.829 119 D CB 0.410 41.193 40.800 -0.028 0.000 1.024 119 D HN 0.650 nan 8.370 nan 0.000 0.490 120 G N -0.180 108.605 108.800 -0.026 0.000 2.594 120 G HA2 0.185 4.142 3.960 -0.004 0.000 0.243 120 G HA3 0.185 4.142 3.960 -0.004 0.000 0.243 120 G C -0.086 174.765 174.900 -0.082 0.000 1.229 120 G CA -0.544 44.540 45.100 -0.027 0.000 0.843 120 G HN 0.030 nan 8.290 nan 0.000 0.578 121 D N -0.039 120.324 120.400 -0.062 0.000 2.443 121 D HA 0.467 5.105 4.640 -0.004 0.000 0.239 121 D C 0.478 176.751 176.300 -0.046 0.000 1.136 121 D CA 1.310 55.253 54.000 -0.094 0.000 0.879 121 D CB 1.271 42.053 40.800 -0.030 0.000 1.195 121 D HN 0.665 nan 8.370 nan 0.000 0.443 122 A N 0.558 123.297 122.820 -0.135 0.000 2.599 122 A HA 0.723 5.040 4.320 -0.004 0.000 0.294 122 A C -1.706 175.842 177.584 -0.061 0.000 1.055 122 A CA -0.470 51.554 52.037 -0.022 0.000 0.683 122 A CB 1.343 20.297 19.000 -0.077 0.000 1.278 122 A HN 0.585 nan 8.150 nan 0.000 0.412 123 A N 1.166 124.064 122.820 0.130 0.000 2.359 123 A HA 0.828 5.145 4.320 -0.004 0.000 0.303 123 A C -1.102 176.677 177.584 0.324 0.000 1.066 123 A CA -0.328 51.808 52.037 0.165 0.000 0.730 123 A CB 0.603 19.789 19.000 0.311 0.000 1.211 123 A HN 0.873 nan 8.150 nan 0.000 0.439 124 F N 1.730 121.756 119.950 0.127 0.000 2.532 124 F HA 0.623 5.147 4.527 -0.004 0.000 0.321 124 F C -0.331 175.367 175.800 -0.170 0.000 1.089 124 F CA -1.153 56.753 58.000 -0.157 0.000 0.926 124 F CB 2.341 41.106 39.000 -0.390 0.000 1.168 124 F HN 0.451 nan 8.300 nan 0.000 0.459 125 L N 4.285 125.403 121.223 -0.174 0.000 2.388 125 L HA 0.504 4.841 4.340 -0.004 0.000 0.267 125 L C -1.740 174.994 176.870 -0.227 0.000 0.995 125 L CA -0.336 54.417 54.840 -0.144 0.000 0.864 125 L CB 0.494 42.318 42.059 -0.392 0.000 1.216 125 L HN 0.367 nan 8.230 nan 0.000 0.430 126 F N 3.571 123.622 119.950 0.170 0.000 2.371 126 F HA 0.551 5.076 4.527 -0.004 0.000 0.363 126 F C 0.948 176.900 175.800 0.254 0.000 1.122 126 F CA -0.237 57.864 58.000 0.168 0.000 1.129 126 F CB 1.379 40.481 39.000 0.171 0.000 1.173 126 F HN 0.593 nan 8.300 nan 0.000 0.489 127 S N 0.549 116.466 115.700 0.363 0.000 2.747 127 S HA 0.627 5.094 4.470 -0.004 0.000 0.300 127 S C 0.291 175.106 174.600 0.358 0.000 1.121 127 S CA -0.248 58.152 58.200 0.334 0.000 0.995 127 S CB 1.669 65.007 63.200 0.231 0.000 1.113 127 S HN 0.563 nan 8.310 nan 0.000 0.547 128 S N -1.420 114.471 115.700 0.317 0.000 3.031 128 S HA 0.265 4.733 4.470 -0.004 0.000 0.253 128 S C -0.642 174.069 174.600 0.184 0.000 0.996 128 S CA -0.157 58.207 58.200 0.272 0.000 1.098 128 S CB -0.421 62.981 63.200 0.338 0.000 1.042 128 S HN 0.781 nan 8.310 nan 0.000 0.593 129 D N -0.310 120.181 120.400 0.151 0.000 2.692 129 D HA 0.152 4.790 4.640 -0.004 0.000 0.290 129 D C 0.974 177.300 176.300 0.042 0.000 1.455 129 D CA -0.317 53.737 54.000 0.090 0.000 0.796 129 D CB -0.066 40.795 40.800 0.101 0.000 1.131 129 D HN 0.203 nan 8.370 nan 0.000 0.467 130 E N 1.256 121.440 120.200 -0.027 0.000 2.152 130 E HA -0.126 4.221 4.350 -0.004 0.000 0.192 130 E C 0.970 177.469 176.600 -0.168 0.000 0.983 130 E CA 0.801 57.131 56.400 -0.117 0.000 0.818 130 E CB 0.275 29.735 29.700 -0.401 0.000 0.758 130 E HN 0.294 nan 8.360 nan 0.000 0.467 131 E N 0.064 120.135 120.200 -0.216 0.000 2.478 131 E HA 0.050 4.398 4.350 -0.004 0.000 0.198 131 E C 0.557 177.040 176.600 -0.196 0.000 1.046 131 E CA 0.391 56.675 56.400 -0.195 0.000 0.870 131 E CB 0.498 30.106 29.700 -0.153 0.000 0.818 131 E HN 0.199 nan 8.360 nan 0.000 0.527 132 A N 0.364 123.082 122.820 -0.170 0.000 2.583 132 A HA 0.487 4.805 4.320 -0.004 0.000 0.299 132 A C -0.455 177.025 177.584 -0.172 0.000 1.258 132 A CA -0.751 51.170 52.037 -0.194 0.000 0.682 132 A CB 0.614 19.543 19.000 -0.120 0.000 1.332 132 A HN -0.033 nan 8.150 nan 0.000 0.485 133 N N 0.149 118.780 118.700 -0.114 0.000 2.294 133 N HA 0.382 5.120 4.740 -0.004 0.000 0.248 133 N C -0.349 175.194 175.510 0.056 0.000 1.300 133 N CA 1.146 54.205 53.050 0.015 0.000 0.925 133 N CB 0.163 38.659 38.487 0.016 0.000 1.188 133 N HN 0.794 nan 8.380 nan 0.000 0.512 134 D N -1.852 118.601 120.400 0.089 0.000 2.699 134 D HA -0.121 4.517 4.640 -0.004 0.000 0.239 134 D C -2.397 173.945 176.300 0.069 0.000 1.136 134 D CA -0.059 53.977 54.000 0.060 0.000 0.668 134 D CB -0.553 40.267 40.800 0.034 0.000 1.060 134 D HN 0.310 nan 8.370 nan 0.000 0.429 135 P HA 0.218 nan 4.420 nan 0.000 0.274 135 P C 0.117 177.446 177.300 0.048 0.000 1.231 135 P CA -0.165 62.995 63.100 0.100 0.000 0.790 135 P CB 1.110 32.916 31.700 0.176 0.000 0.951 136 R N 0.434 120.946 120.500 0.019 0.000 2.650 136 R HA 0.143 4.480 4.340 -0.004 0.000 0.212 136 R C 2.079 178.260 176.300 -0.198 0.000 0.904 136 R CA 0.244 56.302 56.100 -0.071 0.000 1.021 136 R CB -0.681 29.592 30.300 -0.046 0.000 1.519 136 R HN 0.391 nan 8.270 nan 0.000 0.639 137 C N 1.617 120.862 119.300 -0.093 0.000 2.386 137 C HA -0.116 4.342 4.460 -0.004 0.000 0.279 137 C C 2.474 177.432 174.990 -0.053 0.000 1.208 137 C CA 0.683 59.660 59.018 -0.067 0.000 1.747 137 C CB -0.639 27.176 27.740 0.125 0.000 2.046 137 C HN 0.348 nan 8.230 nan 0.000 0.453 138 I N 1.763 122.316 120.570 -0.028 0.000 2.226 138 I HA -0.156 4.011 4.170 -0.004 0.000 0.245 138 I C 2.789 178.841 176.117 -0.109 0.000 1.100 138 I CA 1.964 63.205 61.300 -0.098 0.000 1.374 138 I CB -1.934 35.952 38.000 -0.189 0.000 1.057 138 I HN 0.307 nan 8.210 nan 0.000 0.413 139 A N 1.077 123.840 122.820 -0.097 0.000 1.908 139 A HA -0.152 4.165 4.320 -0.004 0.000 0.218 139 A C 2.590 180.123 177.584 -0.085 0.000 1.181 139 A CA 2.241 54.225 52.037 -0.087 0.000 0.627 139 A CB -0.845 18.111 19.000 -0.074 0.000 0.818 139 A HN 0.422 nan 8.150 nan 0.000 0.445 140 A N -1.424 121.313 122.820 -0.138 0.000 1.902 140 A HA -0.038 4.279 4.320 -0.004 0.000 0.217 140 A C 2.058 179.635 177.584 -0.011 0.000 1.181 140 A CA 1.613 53.570 52.037 -0.132 0.000 0.623 140 A CB -0.693 18.054 19.000 -0.422 0.000 0.818 140 A HN 0.669 nan 8.150 nan 0.000 0.443 141 F N 0.596 120.479 119.950 -0.111 0.000 2.134 141 F HA -0.099 4.425 4.527 -0.005 0.000 0.299 141 F C 1.886 177.658 175.800 -0.045 0.000 1.097 141 F CA 1.544 59.498 58.000 -0.077 0.000 1.264 141 F CB -0.246 38.704 39.000 -0.084 0.000 1.001 141 F HN 0.131 nan 8.300 nan 0.000 0.479 142 L N -0.057 121.153 121.223 -0.022 0.000 2.083 142 L HA -0.205 4.133 4.340 -0.004 0.000 0.209 142 L C 2.665 179.496 176.870 -0.065 0.000 1.083 142 L CA 1.087 55.912 54.840 -0.025 0.000 0.752 142 L CB -1.184 40.871 42.059 -0.007 0.000 0.899 142 L HN 0.229 nan 8.230 nan 0.000 0.433 143 A N -0.020 122.754 122.820 -0.077 0.000 2.178 143 A HA -0.149 4.169 4.320 -0.004 0.000 0.218 143 A C 2.255 179.787 177.584 -0.087 0.000 1.157 143 A CA 1.059 53.058 52.037 -0.063 0.000 0.689 143 A CB -0.444 18.529 19.000 -0.045 0.000 0.787 143 A HN 0.383 nan 8.150 nan 0.000 0.465 144 R N -1.141 119.259 120.500 -0.167 0.000 2.275 144 R HA 0.152 4.490 4.340 -0.004 0.000 0.199 144 R C 1.230 177.445 176.300 -0.142 0.000 0.989 144 R CA 0.422 56.417 56.100 -0.175 0.000 1.016 144 R CB -0.180 29.944 30.300 -0.293 0.000 0.918 144 R HN 0.582 nan 8.270 nan 0.000 0.473 145 G N 2.194 110.924 108.800 -0.116 0.000 2.366 145 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.299 145 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.299 145 G C -0.112 174.771 174.900 -0.029 0.000 1.020 145 G CA 0.047 45.118 45.100 -0.050 0.000 1.026 145 G HN 0.185 nan 8.290 nan 0.000 0.512 146 L N 1.479 122.697 121.223 -0.008 0.000 2.290 146 L HA 0.376 4.713 4.340 -0.004 0.000 0.284 146 L C -1.152 175.822 176.870 0.173 0.000 1.078 146 L CA -1.975 52.898 54.840 0.055 0.000 0.815 146 L CB 0.979 43.092 42.059 0.089 0.000 1.162 146 L HN 0.087 nan 8.230 nan 0.000 0.435 147 P HA 0.194 nan 4.420 nan 0.000 0.276 147 P C -1.528 175.632 177.300 -0.234 0.000 1.230 147 P CA -0.007 63.061 63.100 -0.054 0.000 0.776 147 P CB 0.686 32.316 31.700 -0.117 0.000 0.888 148 Y N 0.087 120.533 120.300 0.243 0.000 2.480 148 Y HA 0.092 4.640 4.550 -0.004 0.000 0.329 148 Y C 1.050 177.028 175.900 0.129 0.000 1.127 148 Y CA -0.638 57.576 58.100 0.190 0.000 1.037 148 Y CB 1.726 40.352 38.460 0.277 0.000 1.320 148 Y HN 0.228 nan 8.280 nan 0.000 0.446 149 D N 1.724 122.190 120.400 0.110 0.000 2.178 149 D HA 0.140 4.777 4.640 -0.004 0.000 0.202 149 D C 0.258 176.662 176.300 0.172 0.000 0.974 149 D CA 1.496 55.518 54.000 0.037 0.000 0.841 149 D CB 0.340 41.035 40.800 -0.175 0.000 0.953 149 D HN 0.513 nan 8.370 nan 0.000 0.478 150 A N -0.817 122.156 122.820 0.253 0.000 2.608 150 A HA 0.535 4.852 4.320 -0.004 0.000 0.292 150 A C -1.576 176.068 177.584 0.100 0.000 1.066 150 A CA -0.631 51.556 52.037 0.249 0.000 0.676 150 A CB 1.400 20.574 19.000 0.290 0.000 1.277 150 A HN -0.134 nan 8.150 nan 0.000 0.413 151 V N 1.362 121.219 119.914 -0.094 0.000 2.487 151 V HA 0.520 4.638 4.120 -0.004 0.000 0.298 151 V C -1.067 174.797 176.094 -0.384 0.000 1.028 151 V CA -0.353 61.697 62.300 -0.417 0.000 0.860 151 V CB 1.264 32.581 31.823 -0.844 0.000 0.991 151 V HN 0.671 nan 8.190 nan 0.000 0.427 152 L N 5.787 126.745 121.223 -0.442 0.000 2.265 152 L HA 0.544 4.881 4.340 -0.004 0.000 0.289 152 L C -0.136 176.618 176.870 -0.193 0.000 1.033 152 L CA -0.086 54.585 54.840 -0.282 0.000 0.814 152 L CB 1.655 43.510 42.059 -0.339 0.000 1.203 152 L HN 0.381 nan 8.230 nan 0.000 0.423 153 V N 2.964 122.815 119.914 -0.105 0.000 2.394 153 V HA 0.645 4.762 4.120 -0.004 0.000 0.282 153 V C 0.534 176.660 176.094 0.053 0.000 1.031 153 V CA -0.775 61.498 62.300 -0.046 0.000 0.881 153 V CB 1.461 33.275 31.823 -0.015 0.000 0.982 153 V HN 0.843 nan 8.190 nan 0.000 0.451 154 A N 5.291 128.139 122.820 0.046 0.000 2.362 154 A HA 0.708 5.025 4.320 -0.004 0.000 0.276 154 A C 0.013 177.590 177.584 -0.011 0.000 1.153 154 A CA -0.143 51.895 52.037 0.001 0.000 0.813 154 A CB 0.225 19.185 19.000 -0.068 0.000 1.081 154 A HN 0.775 nan 8.150 nan 0.000 0.507 155 E N 1.984 122.165 120.200 -0.030 0.000 2.407 155 E HA 0.341 4.689 4.350 -0.004 0.000 0.279 155 E C -3.079 173.471 176.600 -0.083 0.000 1.012 155 E CA -1.757 54.632 56.400 -0.019 0.000 0.800 155 E CB 1.874 31.658 29.700 0.139 0.000 1.276 155 E HN 0.387 nan 8.360 nan 0.000 0.452 156 P HA 0.049 nan 4.420 nan 0.000 0.269 156 P C 0.313 177.602 177.300 -0.018 0.000 1.252 156 P CA 0.130 63.130 63.100 -0.168 0.000 0.780 156 P CB -0.176 31.376 31.700 -0.246 0.000 0.829 157 T N -0.327 114.231 114.554 0.007 0.000 3.288 157 T HA 0.178 4.525 4.350 -0.004 0.000 0.293 157 T C 0.869 175.610 174.700 0.068 0.000 1.008 157 T CA -0.474 61.693 62.100 0.112 0.000 0.929 157 T CB -0.381 68.585 68.868 0.163 0.000 1.152 157 T HN 0.137 nan 8.240 nan 0.000 0.517 158 M N 0.960 120.564 119.600 0.007 0.000 2.576 158 M HA -0.219 4.258 4.480 -0.004 0.000 0.200 158 M C 0.540 176.865 176.300 0.042 0.000 0.487 158 M CA 0.923 56.232 55.300 0.016 0.000 0.553 158 M CB -2.992 29.635 32.600 0.044 0.000 2.042 158 M HN 0.687 nan 8.290 nan 0.000 0.758 159 S N -0.687 115.012 115.700 -0.002 0.000 3.698 159 S HA -0.161 4.307 4.470 -0.004 0.000 0.338 159 S C 0.195 174.993 174.600 0.329 0.000 1.089 159 S CA 1.550 59.781 58.200 0.052 0.000 0.991 159 S CB -0.832 62.426 63.200 0.098 0.000 0.909 159 S HN 0.741 nan 8.310 nan 0.000 0.485 160 E N -0.000 120.391 120.200 0.319 0.000 2.256 160 E HA 0.656 5.003 4.350 -0.004 0.000 0.267 160 E C -0.136 176.687 176.600 0.372 0.000 0.892 160 E CA -0.710 55.874 56.400 0.308 0.000 0.775 160 E CB 1.827 31.628 29.700 0.168 0.000 1.207 160 E HN 0.335 nan 8.360 nan 0.000 0.420 161 A N 2.184 125.126 122.820 0.203 0.000 2.396 161 A HA 0.325 4.643 4.320 -0.004 0.000 0.279 161 A C -0.196 177.450 177.584 0.102 0.000 1.165 161 A CA -0.365 51.740 52.037 0.114 0.000 0.824 161 A CB 0.086 19.045 19.000 -0.069 0.000 1.100 161 A HN 0.315 nan 8.150 nan 0.000 0.516 162 V N 4.841 124.829 119.914 0.123 0.000 2.407 162 V HA 0.193 4.311 4.120 -0.004 0.000 0.278 162 V C 0.896 177.030 176.094 0.068 0.000 1.037 162 V CA -0.103 62.248 62.300 0.087 0.000 0.900 162 V CB 1.292 33.162 31.823 0.078 0.000 0.983 162 V HN 0.879 nan 8.190 nan 0.000 0.459 163 L N 3.664 124.922 121.223 0.059 0.000 2.616 163 L HA 0.623 4.961 4.340 -0.004 0.000 0.229 163 L C 0.703 177.603 176.870 0.049 0.000 1.110 163 L CA 0.369 55.240 54.840 0.052 0.000 0.884 163 L CB 0.166 42.258 42.059 0.055 0.000 1.115 163 L HN 0.710 nan 8.230 nan 0.000 0.481 164 A N -0.033 122.820 122.820 0.055 0.000 2.604 164 A HA 0.703 5.020 4.320 -0.004 0.000 0.295 164 A C -1.234 176.351 177.584 0.002 0.000 1.067 164 A CA -0.469 51.570 52.037 0.004 0.000 0.683 164 A CB 1.256 20.391 19.000 0.224 0.000 1.281 164 A HN 0.324 nan 8.150 nan 0.000 0.407 165 H N -0.290 118.735 119.070 -0.075 0.000 3.003 165 H HA 0.559 5.112 4.556 -0.004 0.000 0.327 165 H C -0.946 174.353 175.328 -0.048 0.000 1.353 165 H CA -0.984 55.000 56.048 -0.107 0.000 1.142 165 H CB 0.758 30.382 29.762 -0.229 0.000 1.864 165 H HN 0.732 nan 8.280 nan 0.000 0.529 166 R N 0.233 120.884 120.500 0.252 0.000 2.774 166 R HA 0.324 4.662 4.340 -0.004 0.000 0.269 166 R C 0.791 177.355 176.300 0.440 0.000 1.068 166 R CA 0.331 56.576 56.100 0.241 0.000 1.180 166 R CB 0.484 30.913 30.300 0.215 0.000 1.077 166 R HN 0.696 nan 8.270 nan 0.000 0.513 167 G N 0.392 109.379 108.800 0.310 0.000 2.525 167 G HA2 0.531 4.489 3.960 -0.004 0.000 0.287 167 G HA3 0.531 4.489 3.960 -0.004 0.000 0.287 167 G C -0.811 174.200 174.900 0.184 0.000 1.350 167 G CA -0.556 44.744 45.100 0.334 0.000 1.039 167 G HN 0.503 nan 8.290 nan 0.000 0.513 168 I N -1.325 119.194 120.570 -0.086 0.000 2.841 168 I HA 0.574 4.741 4.170 -0.004 0.000 0.298 168 I C -1.141 174.769 176.117 -0.346 0.000 1.304 168 I CA -0.653 60.522 61.300 -0.208 0.000 1.019 168 I CB 2.251 40.100 38.000 -0.251 0.000 1.282 168 I HN 0.626 nan 8.210 nan 0.000 0.432 169 S N 4.012 119.415 115.700 -0.495 0.000 2.546 169 S HA 0.757 5.224 4.470 -0.004 0.000 0.272 169 S C -1.272 172.999 174.600 -0.549 0.000 1.140 169 S CA -0.303 57.522 58.200 -0.625 0.000 0.920 169 S CB 1.593 64.076 63.200 -1.195 0.000 1.083 169 S HN 0.722 nan 8.310 nan 0.000 0.476 170 S N 2.604 118.069 115.700 -0.391 0.000 2.521 170 S HA 0.863 5.331 4.470 -0.004 0.000 0.295 170 S C -1.109 173.210 174.600 -0.468 0.000 1.098 170 S CA -0.618 57.350 58.200 -0.388 0.000 0.999 170 S CB 1.415 64.471 63.200 -0.241 0.000 1.034 170 S HN 0.663 nan 8.310 nan 0.000 0.483 171 V N 2.985 122.488 119.914 -0.685 0.000 2.789 171 V HA 0.619 4.736 4.120 -0.004 0.000 0.311 171 V C -1.050 174.692 176.094 -0.587 0.000 1.073 171 V CA -0.809 61.026 62.300 -0.776 0.000 0.921 171 V CB 1.767 32.826 31.823 -1.272 0.000 1.009 171 V HN 0.943 nan 8.190 nan 0.000 0.426 172 L N 5.155 126.112 121.223 -0.443 0.000 2.305 172 L HA 0.751 5.088 4.340 -0.004 0.000 0.284 172 L C -0.563 176.152 176.870 -0.258 0.000 1.013 172 L CA 0.079 54.772 54.840 -0.245 0.000 0.819 172 L CB 1.239 43.234 42.059 -0.107 0.000 1.227 172 L HN 0.692 nan 8.230 nan 0.000 0.417 173 M N 5.156 124.647 119.600 -0.183 0.000 2.535 173 M HA 0.598 5.075 4.480 -0.004 0.000 0.314 173 M C -0.681 175.519 176.300 -0.166 0.000 1.153 173 M CA -0.589 54.566 55.300 -0.241 0.000 0.924 173 M CB 2.394 34.762 32.600 -0.387 0.000 1.710 173 M HN 0.499 nan 8.290 nan 0.000 0.451 174 R N 1.707 122.078 120.500 -0.214 0.000 2.532 174 R HA 0.575 4.913 4.340 -0.004 0.000 0.297 174 R C -1.804 174.355 176.300 -0.235 0.000 0.984 174 R CA -0.436 55.603 56.100 -0.102 0.000 0.884 174 R CB 1.925 32.225 30.300 -0.000 0.000 1.182 174 R HN 0.474 nan 8.270 nan 0.000 0.442 175 F N 1.202 121.169 119.950 0.028 0.000 2.422 175 F HA 0.655 5.178 4.527 -0.006 0.000 0.333 175 F C 0.419 176.239 175.800 0.033 0.000 1.095 175 F CA -0.715 57.306 58.000 0.036 0.000 1.038 175 F CB 2.015 41.038 39.000 0.039 0.000 1.156 175 F HN 0.458 nan 8.300 nan 0.000 0.483 176 A N 1.621 124.562 122.820 0.203 0.000 2.356 176 A HA 0.699 5.016 4.320 -0.004 0.000 0.310 176 A C -0.043 177.607 177.584 0.111 0.000 1.075 176 A CA -0.627 51.483 52.037 0.121 0.000 0.746 176 A CB 0.692 19.736 19.000 0.074 0.000 1.221 176 A HN 0.950 nan 8.150 nan 0.000 0.443 177 G N 0.690 109.536 108.800 0.076 0.000 2.491 177 G HA2 0.402 4.360 3.960 -0.004 0.000 0.238 177 G HA3 0.402 4.360 3.960 -0.004 0.000 0.238 177 G C 0.185 175.112 174.900 0.044 0.000 1.277 177 G CA -0.333 44.797 45.100 0.050 0.000 0.851 177 G HN 0.842 nan 8.290 nan 0.000 0.573 178 R N 2.213 122.737 120.500 0.040 0.000 2.423 178 R HA 0.440 4.778 4.340 -0.004 0.000 0.293 178 R C 1.374 177.688 176.300 0.023 0.000 1.196 178 R CA -0.129 55.993 56.100 0.036 0.000 1.262 178 R CB 0.180 30.508 30.300 0.046 0.000 1.116 178 R HN 0.530 nan 8.270 nan 0.000 0.566 179 A N 3.040 125.870 122.820 0.016 0.000 2.032 179 A HA -0.064 4.254 4.320 -0.004 0.000 0.221 179 A C 1.060 178.651 177.584 0.012 0.000 1.165 179 A CA 1.615 53.658 52.037 0.010 0.000 0.645 179 A CB -0.252 18.753 19.000 0.008 0.000 0.807 179 A HN 0.704 nan 8.150 nan 0.000 0.453 188 P HA 0.031 nan 4.420 nan 0.000 0.228 188 P C 0.744 178.087 177.300 0.071 0.000 1.151 188 P CA 0.341 63.479 63.100 0.064 0.000 0.770 188 P CB 0.305 32.042 31.700 0.061 0.000 0.786 189 A N -0.401 122.452 122.820 0.055 0.000 2.345 189 A HA 0.502 4.819 4.320 -0.004 0.000 0.225 189 A C 2.182 179.785 177.584 0.032 0.000 1.243 189 A CA 0.546 52.620 52.037 0.062 0.000 0.875 189 A CB -0.587 18.456 19.000 0.073 0.000 0.929 189 A HN 0.165 nan 8.150 nan 0.000 0.502 190 A N -0.074 122.747 122.820 0.001 0.000 1.948 190 A HA -0.034 4.283 4.320 -0.004 0.000 0.220 190 A C 1.638 179.184 177.584 -0.062 0.000 1.177 190 A CA 1.640 53.660 52.037 -0.027 0.000 0.636 190 A CB -0.498 18.476 19.000 -0.042 0.000 0.815 190 A HN 0.677 nan 8.150 nan 0.000 0.449 191 S N -1.465 114.155 115.700 -0.134 0.000 2.457 191 S HA 0.551 5.018 4.470 -0.004 0.000 0.289 191 S C 0.979 175.543 174.600 -0.059 0.000 1.163 191 S CA -0.034 58.054 58.200 -0.187 0.000 1.078 191 S CB 1.379 64.237 63.200 -0.569 0.000 0.987 191 S HN 0.763 nan 8.310 nan 0.000 0.482 192 A N 5.222 128.038 122.820 -0.007 0.000 1.969 192 A HA 0.074 4.392 4.320 -0.004 0.000 0.218 192 A C 1.891 179.457 177.584 -0.029 0.000 1.169 192 A CA 1.016 53.087 52.037 0.056 0.000 0.635 192 A CB -0.572 18.494 19.000 0.109 0.000 0.810 192 A HN 0.862 nan 8.150 nan 0.000 0.445 193 L N -1.689 119.530 121.223 -0.007 0.000 2.109 193 L HA -0.115 4.222 4.340 -0.004 0.000 0.207 193 L C 2.543 179.458 176.870 0.075 0.000 1.086 193 L CA 1.028 55.878 54.840 0.016 0.000 0.760 193 L CB -0.603 41.505 42.059 0.081 0.000 0.910 193 L HN 0.387 nan 8.230 nan 0.000 0.437 194 H N -0.054 118.974 119.070 -0.070 0.000 2.353 194 H HA -0.155 4.399 4.556 -0.004 0.000 0.300 194 H C 2.307 177.582 175.328 -0.088 0.000 1.090 194 H CA 1.172 57.186 56.048 -0.056 0.000 1.327 194 H CB -0.247 29.503 29.762 -0.021 0.000 1.383 194 H HN 0.346 nan 8.280 nan 0.000 0.508 195 Q N -0.209 119.600 119.800 0.016 0.000 2.096 195 Q HA -0.107 4.231 4.340 -0.004 0.000 0.204 195 Q C 2.534 178.315 176.000 -0.365 0.000 0.982 195 Q CA 1.308 57.071 55.803 -0.066 0.000 0.850 195 Q CB -0.136 28.625 28.738 0.039 0.000 0.901 195 Q HN 0.487 nan 8.270 nan 0.000 0.422 196 A N 0.459 122.809 122.820 -0.782 0.000 1.933 196 A HA -0.210 4.107 4.320 -0.004 0.000 0.218 196 A C 2.009 179.494 177.584 -0.164 0.000 1.175 196 A CA 1.432 52.914 52.037 -0.924 0.000 0.628 196 A CB -0.397 18.171 19.000 -0.720 0.000 0.814 196 A HN 0.277 nan 8.150 nan 0.000 0.444 197 M N -0.656 118.884 119.600 -0.100 0.000 2.086 197 M HA -0.079 4.398 4.480 -0.004 0.000 0.261 197 M C 2.057 178.353 176.300 -0.006 0.000 1.067 197 M CA 1.382 56.666 55.300 -0.026 0.000 1.116 197 M CB -0.350 32.215 32.600 -0.059 0.000 1.348 197 M HN 0.237 nan 8.290 nan 0.000 0.407 198 R N -1.539 118.962 120.500 0.001 0.000 2.075 198 R HA -0.170 4.167 4.340 -0.004 0.000 0.232 198 R C 2.033 178.357 176.300 0.040 0.000 1.126 198 R CA 1.538 57.644 56.100 0.009 0.000 0.963 198 R CB -1.618 28.705 30.300 0.039 0.000 0.858 198 R HN 0.645 nan 8.270 nan 0.000 0.435 199 W N 1.388 122.684 121.300 -0.008 0.000 2.355 199 W HA -0.111 4.546 4.660 -0.004 0.000 0.309 199 W C 2.157 178.707 176.519 0.051 0.000 1.206 199 W CA 2.092 59.503 57.345 0.109 0.000 1.284 199 W CB -0.806 28.835 29.460 0.302 0.000 1.145 199 W HN 0.166 nan 8.180 nan 0.000 0.502 200 G N 0.177 109.050 108.800 0.121 0.000 2.442 200 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.219 200 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.219 200 G C 1.666 176.400 174.900 -0.276 0.000 1.141 200 G CA 1.175 46.213 45.100 -0.103 0.000 0.763 200 G HN 0.542 nan 8.290 nan 0.000 0.554 201 G N 0.698 109.373 108.800 -0.209 0.000 2.421 201 G HA2 -0.161 3.796 3.960 -0.004 0.000 0.216 201 G HA3 -0.161 3.796 3.960 -0.004 0.000 0.216 201 G C 1.823 176.497 174.900 -0.377 0.000 1.171 201 G CA 1.117 46.080 45.100 -0.228 0.000 0.775 201 G HN 0.479 nan 8.290 nan 0.000 0.543 202 K N 0.584 120.665 120.400 -0.533 0.000 2.057 202 K HA 0.060 4.378 4.320 -0.004 0.000 0.207 202 K C 2.956 178.907 176.600 -1.082 0.000 1.049 202 K CA 0.961 56.710 56.287 -0.897 0.000 0.931 202 K CB -0.218 31.591 32.500 -1.151 0.000 0.714 202 K HN 0.265 nan 8.250 nan 0.000 0.440 203 A N 1.532 123.797 122.820 -0.925 0.000 1.877 203 A HA -0.138 4.179 4.320 -0.004 0.000 0.216 203 A C 2.149 179.408 177.584 -0.542 0.000 1.186 203 A CA 1.293 52.962 52.037 -0.613 0.000 0.620 203 A CB -0.683 17.635 19.000 -1.137 0.000 0.822 203 A HN 0.152 nan 8.150 nan 0.000 0.443 204 L N -0.558 120.374 121.223 -0.484 0.000 2.083 204 L HA -0.185 4.153 4.340 -0.004 0.000 0.209 204 L C 2.084 178.804 176.870 -0.249 0.000 1.083 204 L CA 1.345 55.994 54.840 -0.318 0.000 0.752 204 L CB -0.640 41.333 42.059 -0.144 0.000 0.899 204 L HN 0.299 nan 8.230 nan 0.000 0.433 205 D N -1.187 119.053 120.400 -0.267 0.000 2.117 205 D HA -0.223 4.414 4.640 -0.004 0.000 0.197 205 D C 2.041 178.233 176.300 -0.180 0.000 0.987 205 D CA 1.148 55.020 54.000 -0.214 0.000 0.829 205 D CB -0.231 40.423 40.800 -0.243 0.000 0.961 205 D HN 0.372 nan 8.370 nan 0.000 0.460 206 H N 0.595 119.498 119.070 -0.278 0.000 2.353 206 H HA -0.065 4.485 4.556 -0.009 0.000 0.300 206 H C 2.047 177.280 175.328 -0.159 0.000 1.090 206 H CA 1.023 56.970 56.048 -0.168 0.000 1.327 206 H CB 0.100 29.843 29.762 -0.032 0.000 1.383 206 H HN -0.068 nan 8.280 nan 0.000 0.508 207 V N 1.392 121.194 119.914 -0.187 0.000 2.332 207 V HA -0.254 3.864 4.120 -0.004 0.000 0.248 207 V C 2.512 178.501 176.094 -0.175 0.000 1.055 207 V CA 2.242 64.437 62.300 -0.175 0.000 1.038 207 V CB -0.638 31.074 31.823 -0.185 0.000 0.651 207 V HN 0.495 nan 8.190 nan 0.000 0.450 208 E N 0.700 120.798 120.200 -0.170 0.000 2.160 208 E HA -0.243 4.104 4.350 -0.004 0.000 0.195 208 E C 2.220 178.696 176.600 -0.208 0.000 0.991 208 E CA 1.531 57.837 56.400 -0.157 0.000 0.810 208 E CB -0.139 29.482 29.700 -0.132 0.000 0.742 208 E HN 0.750 nan 8.360 nan 0.000 0.466 209 S N -0.197 115.355 115.700 -0.247 0.000 2.515 209 S HA -0.036 4.431 4.470 -0.004 0.000 0.231 209 S C 1.614 176.062 174.600 -0.253 0.000 0.987 209 S CA 0.413 58.464 58.200 -0.249 0.000 0.936 209 S CB -0.105 62.932 63.200 -0.271 0.000 0.766 209 S HN 0.326 nan 8.310 nan 0.000 0.528 210 L N 0.499 121.567 121.223 -0.259 0.000 2.728 210 L HA 0.452 4.789 4.340 -0.004 0.000 0.238 210 L C 2.426 179.222 176.870 -0.123 0.000 1.143 210 L CA 0.319 55.056 54.840 -0.172 0.000 0.937 210 L CB -0.313 41.652 42.059 -0.156 0.000 1.225 210 L HN 0.356 nan 8.230 nan 0.000 0.507 211 A N -0.293 122.399 122.820 -0.213 0.000 2.024 211 A HA -0.215 4.103 4.320 -0.004 0.000 0.220 211 A C 1.837 179.329 177.584 -0.153 0.000 1.164 211 A CA 1.438 53.348 52.037 -0.210 0.000 0.643 211 A CB -0.541 18.272 19.000 -0.313 0.000 0.806 211 A HN 0.447 nan 8.150 nan 0.000 0.451 212 H N -0.531 118.542 119.070 0.004 0.000 2.548 212 H HA 0.401 4.953 4.556 -0.006 0.000 0.265 212 H C 1.132 176.477 175.328 0.028 0.000 0.969 212 H CA 0.088 56.144 56.048 0.014 0.000 1.155 212 H CB -0.659 29.105 29.762 0.003 0.000 1.394 212 H HN 0.501 nan 8.280 nan 0.000 0.570 213 A N 1.734 124.627 122.820 0.122 0.000 2.498 213 A HA 0.368 4.686 4.320 -0.004 0.000 0.239 213 A C 0.442 178.103 177.584 0.129 0.000 1.068 213 A CA 0.125 52.230 52.037 0.112 0.000 0.766 213 A CB 0.302 19.357 19.000 0.091 0.000 1.003 213 A HN 0.341 nan 8.150 nan 0.000 0.497 214 R N 0.027 120.610 120.500 0.138 0.000 2.740 214 R HA 0.649 4.986 4.340 -0.004 0.000 0.273 214 R C -1.937 174.489 176.300 0.210 0.000 0.998 214 R CA -0.509 55.679 56.100 0.147 0.000 0.900 214 R CB 2.142 32.498 30.300 0.093 0.000 1.223 214 R HN 0.709 nan 8.270 nan 0.000 0.466 215 F N -0.028 119.952 119.950 0.051 0.000 2.722 215 F HA 0.304 4.828 4.527 -0.006 0.000 0.336 215 F C 0.418 176.241 175.800 0.038 0.000 1.216 215 F CA 0.097 58.123 58.000 0.043 0.000 1.065 215 F CB 1.880 40.909 39.000 0.048 0.000 1.325 215 F HN 0.763 nan 8.300 nan 0.000 0.524 216 G N 3.729 112.300 108.800 -0.382 0.000 2.421 216 G HA2 0.122 4.080 3.960 -0.004 0.000 0.300 216 G HA3 0.122 4.080 3.960 -0.004 0.000 0.300 216 G C 1.194 176.102 174.900 0.013 0.000 0.974 216 G CA 1.141 46.134 45.100 -0.178 0.000 1.062 216 G HN 2.348 nan 8.290 nan 0.000 0.514 217 G N -1.939 106.872 108.800 0.019 0.000 2.225 217 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.254 217 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.254 217 G C 0.512 175.465 174.900 0.088 0.000 0.988 217 G CA 0.431 45.561 45.100 0.050 0.000 0.625 217 G HN 1.294 nan 8.290 nan 0.000 0.527 218 L N 1.994 123.298 121.223 0.135 0.000 2.326 218 L HA 0.627 4.965 4.340 -0.004 0.000 0.278 218 L C 0.868 177.827 176.870 0.147 0.000 1.092 218 L CA 0.192 55.124 54.840 0.153 0.000 0.810 218 L CB 1.497 43.676 42.059 0.201 0.000 1.153 218 L HN 0.397 nan 8.230 nan 0.000 0.439 219 T N -0.419 114.211 114.554 0.127 0.000 2.893 219 T HA 0.748 5.095 4.350 -0.004 0.000 0.293 219 T C 0.164 174.931 174.700 0.112 0.000 1.027 219 T CA -0.056 62.114 62.100 0.117 0.000 0.988 219 T CB 1.916 70.844 68.868 0.100 0.000 1.043 219 T HN 1.073 nan 8.240 nan 0.000 0.461 220 G N 1.154 110.014 108.800 0.101 0.000 2.749 220 G HA2 0.006 3.964 3.960 -0.004 0.000 0.242 220 G HA3 0.006 3.964 3.960 -0.004 0.000 0.242 220 G C -0.786 174.188 174.900 0.123 0.000 1.364 220 G CA -0.118 45.032 45.100 0.082 0.000 0.888 220 G HN 1.516 nan 8.290 nan 0.000 0.566 221 L N 0.521 121.824 121.223 0.133 0.000 2.298 221 L HA 0.714 5.051 4.340 -0.004 0.000 0.284 221 L C 0.577 177.608 176.870 0.269 0.000 1.013 221 L CA -0.943 54.026 54.840 0.215 0.000 0.824 221 L CB 1.237 43.429 42.059 0.222 0.000 1.221 221 L HN 0.596 nan 8.230 nan 0.000 0.418 222 R N 4.683 125.355 120.500 0.286 0.000 2.401 222 R HA 0.297 4.634 4.340 -0.004 0.000 0.299 222 R C -1.079 175.475 176.300 0.423 0.000 1.064 222 R CA 0.035 56.309 56.100 0.289 0.000 1.000 222 R CB 0.349 30.786 30.300 0.227 0.000 0.973 222 R HN 0.632 nan 8.270 nan 0.000 0.438 223 F N 2.510 122.596 119.950 0.227 0.000 2.576 223 F HA 0.439 4.965 4.527 -0.001 0.000 0.313 223 F C -0.841 175.082 175.800 0.204 0.000 1.078 223 F CA -0.816 57.344 58.000 0.267 0.000 0.921 223 F CB 1.964 41.098 39.000 0.225 0.000 1.232 223 F HN 0.417 nan 8.300 nan 0.000 0.459 224 N N 6.333 124.672 118.700 -0.602 0.000 2.503 224 N HA 0.303 5.040 4.740 -0.004 0.000 0.287 224 N C -1.921 173.346 175.510 -0.404 0.000 1.096 224 N CA -0.332 52.494 53.050 -0.373 0.000 0.936 224 N CB 1.765 40.197 38.487 -0.093 0.000 1.570 224 N HN 0.715 nan 8.380 nan 0.000 0.504 225 I N 2.995 123.426 120.570 -0.231 0.000 2.281 225 I HA 0.233 4.400 4.170 -0.004 0.000 0.293 225 I C 1.609 177.743 176.117 0.028 0.000 1.085 225 I CA -0.184 61.117 61.300 0.001 0.000 1.257 225 I CB 1.206 39.294 38.000 0.146 0.000 1.430 225 I HN 0.720 nan 8.210 nan 0.000 0.489 226 G N 6.018 114.831 108.800 0.021 0.000 2.683 226 G HA2 0.044 4.001 3.960 -0.004 0.000 0.213 226 G HA3 0.044 4.001 3.960 -0.004 0.000 0.213 226 G C 0.758 175.673 174.900 0.025 0.000 1.142 226 G CA 0.133 45.240 45.100 0.012 0.000 0.793 226 G HN 0.388 nan 8.290 nan 0.000 0.534 227 R N -0.284 120.243 120.500 0.044 0.000 2.535 227 R HA 0.502 4.839 4.340 -0.004 0.000 0.274 227 R C -2.225 174.117 176.300 0.069 0.000 1.090 227 R CA -0.297 55.829 56.100 0.043 0.000 0.930 227 R CB 1.880 32.191 30.300 0.018 0.000 1.223 227 R HN -0.080 nan 8.270 nan 0.000 0.441 228 V N 3.725 123.679 119.914 0.066 0.000 2.686 228 V HA 0.486 4.604 4.120 -0.004 0.000 0.306 228 V C -0.894 175.236 176.094 0.058 0.000 1.065 228 V CA -0.793 61.554 62.300 0.079 0.000 0.894 228 V CB 2.152 34.027 31.823 0.087 0.000 1.004 228 V HN 0.679 nan 8.190 nan 0.000 0.424 229 D N 2.640 123.076 120.400 0.060 0.000 2.891 229 D HA 0.647 5.285 4.640 -0.004 0.000 0.224 229 D C -0.472 175.857 176.300 0.050 0.000 1.321 229 D CA 0.142 54.169 54.000 0.045 0.000 0.929 229 D CB 2.328 43.148 40.800 0.032 0.000 1.551 229 D HN 0.915 nan 8.370 nan 0.000 0.574 230 G N 0.895 109.720 108.800 0.043 0.000 2.519 230 G HA2 0.667 4.625 3.960 -0.004 0.000 0.292 230 G HA3 0.667 4.625 3.960 -0.004 0.000 0.292 230 G C -0.168 174.752 174.900 0.033 0.000 1.507 230 G CA 0.249 45.374 45.100 0.042 0.000 0.806 230 G HN 0.885 nan 8.290 nan 0.000 0.523 231 G N -1.136 107.680 108.800 0.026 0.000 2.746 231 G HA2 0.126 4.083 3.960 -0.004 0.000 0.685 231 G HA3 0.126 4.083 3.960 -0.004 0.000 0.685 231 G C 0.327 175.237 174.900 0.016 0.000 1.350 231 G CA 0.131 45.242 45.100 0.019 0.000 0.837 231 G HN 1.270 nan 8.290 nan 0.000 0.564 232 I N -0.248 120.330 120.570 0.013 0.000 3.746 232 I HA 0.289 4.457 4.170 -0.004 0.000 0.262 232 I C 1.076 177.200 176.117 0.012 0.000 1.153 232 I CA 0.343 61.650 61.300 0.011 0.000 1.395 232 I CB 0.316 38.321 38.000 0.008 0.000 1.589 232 I HN 0.376 nan 8.210 nan 0.000 0.441 233 K N 0.528 120.935 120.400 0.011 0.000 2.340 233 K HA 0.623 4.940 4.320 -0.004 0.000 0.244 233 K C 0.510 177.120 176.600 0.016 0.000 0.973 233 K CA -0.189 56.105 56.287 0.012 0.000 0.828 233 K CB 2.361 34.867 32.500 0.009 0.000 1.226 233 K HN 0.026 nan 8.250 nan 0.000 0.437 234 A N 1.476 124.307 122.820 0.018 0.000 1.884 234 A HA -0.213 4.105 4.320 -0.004 0.000 0.219 234 A C 1.267 178.866 177.584 0.026 0.000 1.197 234 A CA 1.834 53.885 52.037 0.023 0.000 0.637 234 A CB -0.392 18.620 19.000 0.020 0.000 0.827 234 A HN 0.723 nan 8.150 nan 0.000 0.450 235 N N -1.190 117.521 118.700 0.019 0.000 2.270 235 N HA 0.156 4.893 4.740 -0.004 0.000 0.198 235 N C 0.084 175.599 175.510 0.008 0.000 1.117 235 N CA 0.042 53.102 53.050 0.017 0.000 0.845 235 N CB 0.255 38.751 38.487 0.015 0.000 0.980 235 N HN 0.615 nan 8.380 nan 0.000 0.486 236 M N 1.428 121.031 119.600 0.004 0.000 2.157 236 M HA 0.317 4.795 4.480 -0.004 0.000 0.354 236 M C -0.465 175.825 176.300 -0.017 0.000 1.170 236 M CA -0.450 54.848 55.300 -0.004 0.000 1.060 236 M CB 1.134 33.733 32.600 -0.001 0.000 1.615 236 M HN -0.149 nan 8.290 nan 0.000 0.460 237 I N 4.595 125.146 120.570 -0.032 0.000 2.598 237 I HA 0.070 4.237 4.170 -0.004 0.000 0.284 237 I C 0.478 176.567 176.117 -0.047 0.000 1.140 237 I CA -0.245 61.016 61.300 -0.065 0.000 1.420 237 I CB 0.686 38.642 38.000 -0.074 0.000 1.387 237 I HN 0.752 nan 8.210 nan 0.000 0.553 238 A N 10.165 132.953 122.820 -0.053 0.000 2.347 238 A HA 0.374 4.692 4.320 -0.004 0.000 0.287 238 A C -1.337 176.239 177.584 -0.014 0.000 1.199 238 A CA -1.242 50.782 52.037 -0.020 0.000 0.851 238 A CB -0.034 18.963 19.000 -0.004 0.000 1.118 238 A HN 0.608 nan 8.150 nan 0.000 0.525 239 P HA 0.119 nan 4.420 nan 0.000 0.231 239 P C 0.270 177.593 177.300 0.038 0.000 1.168 239 P CA 1.232 64.341 63.100 0.014 0.000 0.779 239 P CB 0.378 32.084 31.700 0.010 0.000 0.844 240 A N -0.528 122.318 122.820 0.044 0.000 2.515 240 A HA 0.751 5.068 4.320 -0.004 0.000 0.298 240 A C -1.461 176.174 177.584 0.084 0.000 1.059 240 A CA -0.388 51.690 52.037 0.068 0.000 0.698 240 A CB 1.841 20.868 19.000 0.045 0.000 1.289 240 A HN 0.120 nan 8.150 nan 0.000 0.404 241 A N 1.001 123.903 122.820 0.137 0.000 2.488 241 A HA 0.684 5.001 4.320 -0.004 0.000 0.295 241 A C -0.896 176.811 177.584 0.204 0.000 1.045 241 A CA -0.196 51.932 52.037 0.152 0.000 0.703 241 A CB 1.118 20.204 19.000 0.144 0.000 1.271 241 A HN 1.000 nan 8.150 nan 0.000 0.400 242 E N 2.173 122.455 120.200 0.136 0.000 2.179 242 E HA 0.716 5.063 4.350 -0.004 0.000 0.275 242 E C -1.658 175.021 176.600 0.132 0.000 0.945 242 E CA -0.556 55.910 56.400 0.110 0.000 0.792 242 E CB 1.456 31.184 29.700 0.047 0.000 1.125 242 E HN 0.710 nan 8.360 nan 0.000 0.397 243 L N 4.137 125.437 121.223 0.129 0.000 2.464 243 L HA 0.582 4.919 4.340 -0.004 0.000 0.266 243 L C -1.434 175.483 176.870 0.078 0.000 0.965 243 L CA -0.577 54.347 54.840 0.140 0.000 0.833 243 L CB 1.597 43.804 42.059 0.247 0.000 1.296 243 L HN 0.615 nan 8.230 nan 0.000 0.405 244 R N 4.880 125.427 120.500 0.077 0.000 2.480 244 R HA 0.656 4.994 4.340 -0.004 0.000 0.306 244 R C -1.424 174.929 176.300 0.087 0.000 0.958 244 R CA -0.478 55.626 56.100 0.006 0.000 0.861 244 R CB 1.899 32.171 30.300 -0.046 0.000 1.171 244 R HN 0.553 nan 8.270 nan 0.000 0.445 245 F N -0.871 119.019 119.950 -0.100 0.000 2.664 245 F HA 0.922 5.446 4.527 -0.005 0.000 0.317 245 F C -0.522 175.200 175.800 -0.129 0.000 1.108 245 F CA -1.052 56.869 58.000 -0.131 0.000 0.957 245 F CB 1.788 40.746 39.000 -0.069 0.000 1.365 245 F HN 0.546 nan 8.300 nan 0.000 0.475 246 G N 0.333 109.082 108.800 -0.084 0.000 2.684 246 G HA2 0.722 4.679 3.960 -0.004 0.000 0.290 246 G HA3 0.722 4.679 3.960 -0.004 0.000 0.290 246 G C -2.198 172.812 174.900 0.182 0.000 1.425 246 G CA -0.847 44.166 45.100 -0.145 0.000 0.822 246 G HN 1.185 nan 8.290 nan 0.000 0.482 247 F N -1.870 118.150 119.950 0.118 0.000 2.668 247 F HA 0.819 5.346 4.527 -0.001 0.000 0.309 247 F C -0.652 175.271 175.800 0.206 0.000 1.117 247 F CA -1.561 56.596 58.000 0.263 0.000 0.951 247 F CB 1.837 41.154 39.000 0.528 0.000 1.323 247 F HN 0.379 nan 8.300 nan 0.000 0.451 248 R N 1.980 122.712 120.500 0.385 0.000 2.443 248 R HA 0.370 4.708 4.340 -0.004 0.000 0.287 248 R C -2.917 173.572 176.300 0.314 0.000 1.425 248 R CA -1.842 54.411 56.100 0.255 0.000 1.300 248 R CB 1.243 31.672 30.300 0.214 0.000 1.129 248 R HN 0.359 nan 8.270 nan 0.000 0.577 249 P HA -0.022 nan 4.420 nan 0.000 0.269 249 P C -0.190 177.214 177.300 0.172 0.000 1.215 249 P CA 0.031 63.307 63.100 0.294 0.000 0.780 249 P CB 1.084 32.974 31.700 0.317 0.000 0.898 250 L N 3.455 124.754 121.223 0.127 0.000 2.439 250 L HA 0.318 4.656 4.340 -0.004 0.000 0.261 250 L C -1.669 175.160 176.870 -0.069 0.000 1.153 250 L CA -2.247 52.611 54.840 0.029 0.000 0.808 250 L CB 0.187 42.296 42.059 0.083 0.000 1.126 250 L HN 0.260 nan 8.230 nan 0.000 0.460 251 P HA 0.007 nan 4.420 nan 0.000 0.266 251 P C 0.107 177.329 177.300 -0.129 0.000 1.195 251 P CA 0.297 63.210 63.100 -0.311 0.000 0.768 251 P CB 1.218 32.493 31.700 -0.708 0.000 0.838 252 S N -1.296 114.380 115.700 -0.041 0.000 2.596 252 S HA -0.165 4.302 4.470 -0.004 0.000 0.260 252 S C 0.642 175.269 174.600 0.045 0.000 1.282 252 S CA 0.748 58.961 58.200 0.022 0.000 1.357 252 S CB -1.845 61.388 63.200 0.056 0.000 1.674 252 S HN 0.560 nan 8.310 nan 0.000 0.641 253 M N 2.003 121.635 119.600 0.054 0.000 2.248 253 M HA 0.140 4.617 4.480 -0.004 0.000 0.337 253 M C 0.348 176.697 176.300 0.081 0.000 1.121 253 M CA 0.284 55.630 55.300 0.077 0.000 1.155 253 M CB 0.158 32.824 32.600 0.110 0.000 1.514 253 M HN 0.074 nan 8.290 nan 0.000 0.452 254 D N 2.553 122.995 120.400 0.071 0.000 2.435 254 D HA 0.158 4.796 4.640 -0.004 0.000 0.230 254 D C 0.673 177.031 176.300 0.096 0.000 1.215 254 D CA -0.210 53.829 54.000 0.065 0.000 0.947 254 D CB 0.597 41.419 40.800 0.036 0.000 1.048 254 D HN 0.335 nan 8.370 nan 0.000 0.512 255 V N 3.447 123.444 119.914 0.140 0.000 2.427 255 V HA -0.190 3.927 4.120 -0.004 0.000 0.248 255 V C 1.812 178.030 176.094 0.207 0.000 1.051 255 V CA 1.427 63.869 62.300 0.236 0.000 1.048 255 V CB -0.314 31.647 31.823 0.230 0.000 0.666 255 V HN 0.495 nan 8.190 nan 0.000 0.456 256 D N 1.107 121.581 120.400 0.122 0.000 2.097 256 D HA -0.135 4.503 4.640 -0.004 0.000 0.195 256 D C 2.244 178.579 176.300 0.058 0.000 0.989 256 D CA 1.843 55.898 54.000 0.092 0.000 0.827 256 D CB -0.564 40.265 40.800 0.050 0.000 0.966 256 D HN 0.490 nan 8.370 nan 0.000 0.456 257 G N 0.887 109.700 108.800 0.021 0.000 2.418 257 G HA2 -0.183 3.774 3.960 -0.004 0.000 0.217 257 G HA3 -0.183 3.774 3.960 -0.004 0.000 0.217 257 G C 1.867 176.700 174.900 -0.111 0.000 1.158 257 G CA 0.192 45.266 45.100 -0.044 0.000 0.771 257 G HN 0.219 nan 8.290 nan 0.000 0.545 258 L N -0.541 120.637 121.223 -0.076 0.000 2.017 258 L HA -0.053 4.285 4.340 -0.004 0.000 0.208 258 L C 2.743 179.497 176.870 -0.195 0.000 1.073 258 L CA 0.640 55.332 54.840 -0.247 0.000 0.745 258 L CB -0.374 41.594 42.059 -0.151 0.000 0.894 258 L HN 0.218 nan 8.230 nan 0.000 0.432 259 L N -0.082 121.250 121.223 0.182 0.000 2.042 259 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 259 L C 2.616 179.605 176.870 0.199 0.000 1.076 259 L CA 2.062 57.175 54.840 0.455 0.000 0.749 259 L CB -0.646 41.716 42.059 0.504 0.000 0.893 259 L HN 0.185 nan 8.230 nan 0.000 0.432 260 A N -2.093 120.720 122.820 -0.011 0.000 1.930 260 A HA -0.184 4.133 4.320 -0.004 0.000 0.217 260 A C 2.271 179.666 177.584 -0.314 0.000 1.175 260 A CA 2.137 54.080 52.037 -0.158 0.000 0.627 260 A CB -1.059 17.862 19.000 -0.132 0.000 0.815 260 A HN 0.487 nan 8.150 nan 0.000 0.443 261 T N -0.630 113.656 114.554 -0.447 0.000 2.708 261 T HA -0.106 4.242 4.350 -0.004 0.000 0.266 261 T C 1.562 175.595 174.700 -1.112 0.000 1.037 261 T CA 1.568 63.164 62.100 -0.840 0.000 1.146 261 T CB -0.461 67.791 68.868 -1.026 0.000 0.865 261 T HN 0.491 nan 8.240 nan 0.000 0.435 262 F N 1.386 121.015 119.950 -0.536 0.000 2.134 262 F HA -0.077 4.452 4.527 0.004 0.000 0.299 262 F C 2.767 178.635 175.800 0.112 0.000 1.097 262 F CA 0.692 58.605 58.000 -0.145 0.000 1.264 262 F CB -0.364 38.861 39.000 0.375 0.000 1.001 262 F HN 0.131 nan 8.300 nan 0.000 0.479 263 A N 0.233 123.035 122.820 -0.030 0.000 1.933 263 A HA -0.102 4.215 4.320 -0.004 0.000 0.218 263 A C 2.406 179.876 177.584 -0.190 0.000 1.175 263 A CA 1.690 53.422 52.037 -0.509 0.000 0.628 263 A CB -1.554 16.706 19.000 -1.234 0.000 0.814 263 A HN 0.408 nan 8.150 nan 0.000 0.444 264 G N -1.877 106.774 108.800 -0.249 0.000 2.509 264 G HA2 -0.086 3.871 3.960 -0.004 0.000 0.218 264 G HA3 -0.086 3.871 3.960 -0.004 0.000 0.218 264 G C 1.249 176.173 174.900 0.041 0.000 1.124 264 G CA 0.546 45.550 45.100 -0.160 0.000 0.776 264 G HN 0.548 nan 8.290 nan 0.000 0.547 265 F N 1.264 121.287 119.950 0.122 0.000 2.604 265 F HA 0.227 4.749 4.527 -0.007 0.000 0.298 265 F C 1.961 177.956 175.800 0.326 0.000 1.131 265 F CA -0.257 57.817 58.000 0.124 0.000 1.457 265 F CB 0.292 39.252 39.000 -0.067 0.000 1.095 265 F HN 0.120 nan 8.300 nan 0.000 0.574 266 A N 0.796 123.984 122.820 0.614 0.000 2.309 266 A HA 0.193 4.511 4.320 -0.004 0.000 0.290 266 A C -0.624 177.142 177.584 0.304 0.000 1.206 266 A CA -0.175 52.184 52.037 0.537 0.000 0.850 266 A CB 0.071 19.310 19.000 0.397 0.000 1.118 266 A HN 0.149 nan 8.150 nan 0.000 0.523 267 D N 4.106 124.674 120.400 0.280 0.000 2.575 267 D HA 0.462 5.099 4.640 -0.004 0.000 0.250 267 D C -2.548 173.856 176.300 0.173 0.000 1.279 267 D CA -1.053 53.055 54.000 0.181 0.000 0.925 267 D CB 1.829 42.715 40.800 0.143 0.000 1.261 267 D HN 0.290 nan 8.370 nan 0.000 0.567 268 P HA 0.282 nan 4.420 nan 0.000 0.274 268 P C -0.656 176.725 177.300 0.135 0.000 1.264 268 P CA -0.573 62.599 63.100 0.121 0.000 0.795 268 P CB 0.378 32.137 31.700 0.098 0.000 1.064 269 A N 0.261 123.130 122.820 0.082 0.000 2.520 269 A HA 0.424 4.741 4.320 -0.004 0.000 0.235 269 A C 0.555 178.158 177.584 0.033 0.000 1.065 269 A CA 0.130 52.195 52.037 0.047 0.000 0.764 269 A CB -0.787 18.218 19.000 0.009 0.000 1.002 269 A HN 0.634 nan 8.150 nan 0.000 0.502 270 A N 1.263 124.058 122.820 -0.042 0.000 2.483 270 A HA 0.472 4.790 4.320 -0.004 0.000 0.238 270 A C 1.515 179.053 177.584 -0.077 0.000 1.070 270 A CA 0.335 52.261 52.037 -0.185 0.000 0.770 270 A CB -0.203 18.569 19.000 -0.380 0.000 1.008 270 A HN 2.037 nan 8.150 nan 0.000 0.497 271 A N 0.976 123.762 122.820 -0.058 0.000 2.015 271 A HA 0.100 4.417 4.320 -0.004 0.000 0.219 271 A C 0.955 178.588 177.584 0.080 0.000 1.163 271 A CA 2.039 54.088 52.037 0.020 0.000 0.646 271 A CB -0.362 18.657 19.000 0.032 0.000 0.806 271 A HN 1.069 nan 8.150 nan 0.000 0.448 272 H N -3.163 115.852 119.070 -0.091 0.000 2.947 272 H HA 0.542 5.096 4.556 -0.003 0.000 0.354 272 H C -1.971 173.338 175.328 -0.032 0.000 1.085 272 H CA -1.038 54.977 56.048 -0.055 0.000 1.253 272 H CB 1.153 30.869 29.762 -0.076 0.000 1.757 272 H HN 0.098 nan 8.280 nan 0.000 0.523 273 F N 4.300 123.938 119.950 -0.521 0.000 2.828 273 F HA 0.306 4.832 4.527 -0.001 0.000 0.355 273 F C -1.418 174.125 175.800 -0.428 0.000 1.200 273 F CA -0.294 57.492 58.000 -0.357 0.000 1.062 273 F CB 1.112 39.998 39.000 -0.191 0.000 1.351 273 F HN 0.598 nan 8.300 nan 0.000 0.504 274 E N 5.436 125.231 120.200 -0.674 0.000 2.216 274 E HA 0.156 4.504 4.350 -0.004 0.000 0.260 274 E C -1.246 175.104 176.600 -0.417 0.000 0.880 274 E CA -0.588 55.542 56.400 -0.450 0.000 0.765 274 E CB 1.390 30.897 29.700 -0.321 0.000 1.174 274 E HN 0.727 nan 8.360 nan 0.000 0.417 275 E N 3.399 123.419 120.200 -0.300 0.000 2.129 275 E HA 0.039 4.387 4.350 -0.004 0.000 0.283 275 E C 0.664 177.149 176.600 -0.192 0.000 1.080 275 E CA 0.105 56.345 56.400 -0.268 0.000 0.867 275 E CB 0.727 30.338 29.700 -0.147 0.000 1.056 275 E HN 0.663 nan 8.360 nan 0.000 0.404 276 T N 2.327 116.769 114.554 -0.187 0.000 3.043 276 T HA 0.063 4.410 4.350 -0.004 0.000 0.263 276 T C 0.170 174.865 174.700 -0.009 0.000 1.094 276 T CA 0.054 62.095 62.100 -0.098 0.000 1.127 276 T CB 0.017 68.826 68.868 -0.098 0.000 0.905 276 T HN 0.340 nan 8.240 nan 0.000 0.490 277 F N 0.588 120.390 119.950 -0.246 0.000 2.650 277 F HA 0.615 5.140 4.527 -0.004 0.000 0.310 277 F C -1.284 174.324 175.800 -0.320 0.000 1.112 277 F CA -1.307 56.532 58.000 -0.268 0.000 0.986 277 F CB 1.663 40.486 39.000 -0.294 0.000 1.285 277 F HN -0.056 nan 8.300 nan 0.000 0.440 278 R N 3.418 123.292 120.500 -1.043 0.000 2.533 278 R HA 0.702 5.039 4.340 -0.004 0.000 0.288 278 R C -1.527 174.177 176.300 -0.993 0.000 1.039 278 R CA -0.745 54.915 56.100 -0.734 0.000 0.909 278 R CB 1.886 31.942 30.300 -0.407 0.000 1.195 278 R HN 0.943 nan 8.270 nan 0.000 0.438 279 G N 4.116 112.477 108.800 -0.731 0.000 2.566 279 G HA2 0.565 4.523 3.960 -0.004 0.000 0.311 279 G HA3 0.565 4.523 3.960 -0.004 0.000 0.311 279 G C -2.869 172.020 174.900 -0.019 0.000 1.322 279 G CA -1.545 43.205 45.100 -0.585 0.000 0.969 279 G HN 0.345 nan 8.290 nan 0.000 0.490 280 P HA 0.219 nan 4.420 nan 0.000 0.274 280 P C 0.521 178.052 177.300 0.385 0.000 1.246 280 P CA -0.414 62.835 63.100 0.249 0.000 0.795 280 P CB 1.006 32.815 31.700 0.182 0.000 1.006 281 S N 1.061 116.870 115.700 0.181 0.000 2.634 281 S HA 0.440 4.907 4.470 -0.004 0.000 0.261 281 S C -0.358 174.170 174.600 -0.120 0.000 1.271 281 S CA -0.481 57.767 58.200 0.080 0.000 0.985 281 S CB 0.076 63.255 63.200 -0.035 0.000 0.968 281 S HN 0.402 nan 8.310 nan 0.000 0.568 282 L N 1.307 122.273 121.223 -0.428 0.000 2.372 282 L HA 0.653 4.991 4.340 -0.004 0.000 0.274 282 L C -2.880 173.792 176.870 -0.330 0.000 0.988 282 L CA -1.877 52.680 54.840 -0.472 0.000 0.833 282 L CB 1.650 43.154 42.059 -0.926 0.000 1.236 282 L HN 0.466 nan 8.230 nan 0.000 0.410 283 P HA 0.507 nan 4.420 nan 0.000 0.297 283 P C -1.343 175.893 177.300 -0.106 0.000 1.303 283 P CA -0.496 62.549 63.100 -0.092 0.000 0.753 283 P CB 0.968 32.664 31.700 -0.006 0.000 1.281 284 S N -2.595 113.084 115.700 -0.036 0.000 2.667 284 S HA 0.880 5.348 4.470 -0.004 0.000 0.292 284 S C -0.099 174.504 174.600 0.005 0.000 1.126 284 S CA -0.102 58.086 58.200 -0.022 0.000 0.881 284 S CB 1.277 64.485 63.200 0.012 0.000 1.132 284 S HN 0.924 nan 8.310 nan 0.000 0.492 285 G N 0.992 109.799 108.800 0.011 0.000 2.396 285 G HA2 0.087 4.044 3.960 -0.004 0.000 0.254 285 G HA3 0.087 4.044 3.960 -0.004 0.000 0.254 285 G C -1.105 173.813 174.900 0.029 0.000 1.248 285 G CA -0.284 44.830 45.100 0.023 0.000 1.033 285 G HN 1.263 nan 8.290 nan 0.000 0.502 286 D N -0.357 120.064 120.400 0.035 0.000 2.378 286 D HA 0.204 4.841 4.640 -0.004 0.000 0.238 286 D C 1.717 178.054 176.300 0.062 0.000 1.180 286 D CA 0.045 54.071 54.000 0.043 0.000 0.895 286 D CB 1.304 42.126 40.800 0.038 0.000 1.192 286 D HN 0.604 nan 8.370 nan 0.000 0.438 287 I N 1.707 122.323 120.570 0.076 0.000 2.248 287 I HA -0.253 3.915 4.170 -0.004 0.000 0.248 287 I C 2.347 178.526 176.117 0.103 0.000 1.107 287 I CA 1.973 63.341 61.300 0.113 0.000 1.373 287 I CB -0.705 37.360 38.000 0.109 0.000 1.055 287 I HN 0.595 nan 8.210 nan 0.000 0.418 288 A N 0.334 123.195 122.820 0.069 0.000 1.902 288 A HA -0.252 4.065 4.320 -0.004 0.000 0.217 288 A C 2.574 180.194 177.584 0.059 0.000 1.181 288 A CA 1.914 53.985 52.037 0.056 0.000 0.623 288 A CB -0.731 18.292 19.000 0.039 0.000 0.818 288 A HN 0.517 nan 8.150 nan 0.000 0.443 289 R N -0.347 120.187 120.500 0.056 0.000 2.075 289 R HA -0.055 4.282 4.340 -0.004 0.000 0.232 289 R C 2.273 178.614 176.300 0.069 0.000 1.126 289 R CA 1.481 57.612 56.100 0.052 0.000 0.963 289 R CB -0.463 29.862 30.300 0.041 0.000 0.858 289 R HN 0.396 nan 8.270 nan 0.000 0.435 290 A N 1.282 124.155 122.820 0.089 0.000 1.908 290 A HA -0.207 4.110 4.320 -0.004 0.000 0.218 290 A C 1.895 179.588 177.584 0.181 0.000 1.181 290 A CA 1.825 53.937 52.037 0.125 0.000 0.627 290 A CB -0.462 18.631 19.000 0.155 0.000 0.818 290 A HN 0.586 nan 8.150 nan 0.000 0.445 291 E N -0.803 119.493 120.200 0.161 0.000 2.107 291 E HA -0.166 4.181 4.350 -0.004 0.000 0.191 291 E C 2.046 178.691 176.600 0.075 0.000 0.982 291 E CA 0.823 57.292 56.400 0.114 0.000 0.809 291 E CB -0.209 29.530 29.700 0.066 0.000 0.756 291 E HN 0.686 nan 8.360 nan 0.000 0.459 292 E N 1.748 121.987 120.200 0.064 0.000 2.051 292 E HA -0.196 4.152 4.350 -0.004 0.000 0.192 292 E C 2.076 178.707 176.600 0.052 0.000 0.991 292 E CA 0.960 57.389 56.400 0.047 0.000 0.799 292 E CB 0.103 29.827 29.700 0.040 0.000 0.748 292 E HN 0.061 nan 8.360 nan 0.000 0.449 293 R N 0.497 121.034 120.500 0.061 0.000 2.081 293 R HA -0.093 4.244 4.340 -0.004 0.000 0.235 293 R C 2.578 178.917 176.300 0.066 0.000 1.131 293 R CA 1.227 57.364 56.100 0.062 0.000 0.960 293 R CB -0.810 29.527 30.300 0.061 0.000 0.856 293 R HN 0.243 nan 8.270 nan 0.000 0.436 294 R N 0.829 121.380 120.500 0.085 0.000 2.096 294 R HA -0.043 4.294 4.340 -0.004 0.000 0.235 294 R C 2.319 178.653 176.300 0.057 0.000 1.127 294 R CA 1.083 57.236 56.100 0.090 0.000 0.968 294 R CB -0.185 30.201 30.300 0.144 0.000 0.861 294 R HN 0.157 nan 8.270 nan 0.000 0.440 295 L N 0.010 121.261 121.223 0.046 0.000 2.093 295 L HA -0.063 4.275 4.340 -0.004 0.000 0.208 295 L C 2.659 179.547 176.870 0.031 0.000 1.085 295 L CA 1.060 55.918 54.840 0.030 0.000 0.755 295 L CB -0.483 41.590 42.059 0.024 0.000 0.904 295 L HN 0.301 nan 8.230 nan 0.000 0.435 296 A N 0.121 122.964 122.820 0.038 0.000 1.933 296 A HA -0.130 4.187 4.320 -0.004 0.000 0.218 296 A C 2.507 180.117 177.584 0.042 0.000 1.175 296 A CA 1.639 53.701 52.037 0.041 0.000 0.628 296 A CB -0.538 18.491 19.000 0.048 0.000 0.814 296 A HN 0.390 nan 8.150 nan 0.000 0.444 297 A N -0.666 122.178 122.820 0.041 0.000 1.929 297 A HA -0.094 4.223 4.320 -0.004 0.000 0.216 297 A C 2.255 179.846 177.584 0.011 0.000 1.176 297 A CA 1.415 53.469 52.037 0.030 0.000 0.628 297 A CB -0.453 18.566 19.000 0.032 0.000 0.816 297 A HN 0.394 nan 8.150 nan 0.000 0.444 298 R N 0.339 120.848 120.500 0.015 0.000 2.081 298 R HA -0.142 4.195 4.340 -0.004 0.000 0.235 298 R C 1.136 177.435 176.300 -0.002 0.000 1.131 298 R CA 1.893 57.995 56.100 0.004 0.000 0.960 298 R CB -0.659 29.646 30.300 0.008 0.000 0.856 298 R HN 0.467 nan 8.270 nan 0.000 0.436 299 D N 0.084 120.490 120.400 0.010 0.000 2.144 299 D HA -0.120 4.517 4.640 -0.004 0.000 0.199 299 D C 1.973 178.280 176.300 0.011 0.000 0.984 299 D CA 1.069 55.076 54.000 0.013 0.000 0.834 299 D CB -0.067 40.748 40.800 0.024 0.000 0.955 299 D HN 0.079 nan 8.370 nan 0.000 0.465 300 V N 1.448 121.370 119.914 0.014 0.000 2.358 300 V HA -0.203 3.914 4.120 -0.004 0.000 0.246 300 V C 2.563 178.610 176.094 -0.079 0.000 1.047 300 V CA 1.668 63.971 62.300 0.005 0.000 1.035 300 V CB -0.751 31.090 31.823 0.030 0.000 0.658 300 V HN 0.168 nan 8.190 nan 0.000 0.452 301 A N -0.047 122.722 122.820 -0.085 0.000 1.908 301 A HA -0.261 4.056 4.320 -0.004 0.000 0.218 301 A C 2.005 179.529 177.584 -0.100 0.000 1.181 301 A CA 2.067 54.028 52.037 -0.127 0.000 0.627 301 A CB -0.617 18.325 19.000 -0.095 0.000 0.818 301 A HN 0.543 nan 8.150 nan 0.000 0.445 302 D N 0.087 120.454 120.400 -0.055 0.000 2.117 302 D HA -0.064 4.574 4.640 -0.004 0.000 0.197 302 D C 2.232 178.510 176.300 -0.036 0.000 0.987 302 D CA 1.540 55.517 54.000 -0.037 0.000 0.829 302 D CB -0.472 40.318 40.800 -0.016 0.000 0.961 302 D HN 0.430 nan 8.370 nan 0.000 0.460 303 A N 0.562 123.364 122.820 -0.029 0.000 1.972 303 A HA -0.088 4.229 4.320 -0.004 0.000 0.219 303 A C 2.176 179.734 177.584 -0.045 0.000 1.169 303 A CA 0.845 52.875 52.037 -0.011 0.000 0.635 303 A CB -0.551 18.469 19.000 0.033 0.000 0.810 303 A HN 0.237 nan 8.150 nan 0.000 0.446 304 L N -0.673 120.481 121.223 -0.115 0.000 2.611 304 L HA 0.071 4.409 4.340 -0.004 0.000 0.229 304 L C -0.362 176.434 176.870 -0.123 0.000 1.137 304 L CA -0.046 54.696 54.840 -0.162 0.000 0.901 304 L CB -0.319 41.556 42.059 -0.307 0.000 1.098 304 L HN 0.283 nan 8.230 nan 0.000 0.456 305 D N 1.170 121.518 120.400 -0.087 0.000 2.708 305 D HA -0.175 4.463 4.640 -0.004 0.000 0.236 305 D C -0.199 176.055 176.300 -0.077 0.000 1.146 305 D CA 0.874 54.838 54.000 -0.061 0.000 0.662 305 D CB -1.153 39.626 40.800 -0.034 0.000 1.059 305 D HN 0.285 nan 8.370 nan 0.000 0.428 306 L N 0.791 121.940 121.223 -0.124 0.000 2.295 306 L HA 0.406 4.743 4.340 -0.004 0.000 0.285 306 L C -1.592 175.239 176.870 -0.065 0.000 1.035 306 L CA -1.709 53.041 54.840 -0.149 0.000 0.806 306 L CB 1.248 43.092 42.059 -0.359 0.000 1.214 306 L HN -0.225 nan 8.230 nan 0.000 0.426 307 P HA 0.161 nan 4.420 nan 0.000 0.271 307 P C -0.564 176.757 177.300 0.035 0.000 1.216 307 P CA -0.023 63.094 63.100 0.028 0.000 0.771 307 P CB 0.930 32.666 31.700 0.060 0.000 0.864 308 I N 2.209 122.793 120.570 0.024 0.000 2.371 308 I HA 0.308 4.475 4.170 -0.004 0.000 0.290 308 I C 1.357 177.504 176.117 0.049 0.000 1.028 308 I CA -0.044 61.275 61.300 0.031 0.000 1.345 308 I CB 1.018 39.028 38.000 0.015 0.000 1.407 308 I HN 0.391 nan 8.210 nan 0.000 0.501 309 G N 5.054 113.894 108.800 0.067 0.000 2.491 309 G HA2 0.316 4.274 3.960 -0.004 0.000 0.327 309 G HA3 0.316 4.274 3.960 -0.004 0.000 0.327 309 G C -0.365 174.570 174.900 0.059 0.000 1.189 309 G CA -0.715 44.427 45.100 0.070 0.000 0.956 309 G HN 0.559 nan 8.290 nan 0.000 0.491 310 N N -0.092 118.641 118.700 0.056 0.000 2.467 310 N HA 0.366 5.104 4.740 -0.004 0.000 0.262 310 N C 0.677 176.220 175.510 0.055 0.000 1.234 310 N CA -0.036 53.045 53.050 0.053 0.000 0.952 310 N CB 1.313 39.831 38.487 0.051 0.000 1.158 310 N HN 0.676 nan 8.380 nan 0.000 0.463 311 A N 0.591 123.454 122.820 0.072 0.000 2.507 311 A HA 0.282 4.600 4.320 -0.004 0.000 0.235 311 A C 0.551 178.153 177.584 0.030 0.000 1.070 311 A CA -0.294 51.792 52.037 0.083 0.000 0.768 311 A CB -0.023 19.085 19.000 0.179 0.000 1.011 311 A HN 0.488 nan 8.150 nan 0.000 0.502 312 V N -0.921 118.957 119.914 -0.059 0.000 3.019 312 V HA 0.520 4.638 4.120 -0.004 0.000 0.317 312 V C 0.233 176.249 176.094 -0.131 0.000 1.094 312 V CA -0.526 61.666 62.300 -0.180 0.000 1.000 312 V CB 1.859 33.313 31.823 -0.615 0.000 1.060 312 V HN 0.819 nan 8.190 nan 0.000 0.443 313 D N 0.712 121.081 120.400 -0.052 0.000 2.271 313 D HA 0.100 4.737 4.640 -0.004 0.000 0.206 313 D C 0.739 177.102 176.300 0.106 0.000 0.967 313 D CA 0.979 55.022 54.000 0.071 0.000 0.867 313 D CB 0.157 41.039 40.800 0.136 0.000 0.960 313 D HN 0.681 nan 8.370 nan 0.000 0.509 314 F N -0.416 119.577 119.950 0.071 0.000 2.403 314 F HA 0.425 4.950 4.527 -0.004 0.000 0.320 314 F C 0.106 175.890 175.800 -0.026 0.000 1.176 314 F CA -1.674 56.354 58.000 0.047 0.000 1.206 314 F CB 0.220 39.221 39.000 0.001 0.000 1.235 314 F HN -0.207 nan 8.300 nan 0.000 0.565 315 W N 2.155 123.517 121.300 0.104 0.000 2.448 315 W HA 0.596 5.254 4.660 -0.004 0.000 0.339 315 W C -0.755 175.694 176.519 -0.117 0.000 1.124 315 W CA 0.022 57.280 57.345 -0.144 0.000 1.262 315 W CB 1.609 31.101 29.460 0.052 0.000 1.251 315 W HN 0.949 nan 8.180 nan 0.000 0.597 316 T N 0.467 114.193 114.554 -1.380 0.000 2.843 316 T HA 0.291 4.638 4.350 -0.004 0.000 0.302 316 T C -0.057 173.854 174.700 -1.315 0.000 1.232 316 T CA -0.730 60.805 62.100 -0.941 0.000 1.009 316 T CB 1.796 70.436 68.868 -0.381 0.000 1.254 316 T HN 0.561 nan 8.240 nan 0.000 0.504 317 E N 0.289 120.081 120.200 -0.680 0.000 2.511 317 E HA 0.130 4.478 4.350 -0.004 0.000 0.196 317 E C 1.999 178.613 176.600 0.023 0.000 1.066 317 E CA 0.394 56.591 56.400 -0.338 0.000 0.871 317 E CB -0.161 29.524 29.700 -0.026 0.000 0.863 317 E HN 0.720 nan 8.360 nan 0.000 0.520 318 A N 0.738 123.580 122.820 0.037 0.000 2.019 318 A HA -0.168 4.150 4.320 -0.004 0.000 0.219 318 A C 2.290 179.964 177.584 0.151 0.000 1.164 318 A CA 1.173 53.313 52.037 0.172 0.000 0.644 318 A CB -0.239 18.828 19.000 0.112 0.000 0.805 318 A HN 0.112 nan 8.150 nan 0.000 0.449 319 S N -0.218 115.509 115.700 0.046 0.000 2.383 319 S HA -0.126 4.342 4.470 -0.004 0.000 0.229 319 S C 1.794 176.475 174.600 0.136 0.000 1.030 319 S CA 1.517 59.756 58.200 0.065 0.000 1.002 319 S CB -0.428 62.890 63.200 0.197 0.000 0.829 319 S HN 0.571 nan 8.310 nan 0.000 0.467 320 L N -0.568 120.732 121.223 0.128 0.000 2.027 320 L HA -0.061 4.277 4.340 -0.004 0.000 0.206 320 L C 2.102 178.984 176.870 0.020 0.000 1.074 320 L CA 1.305 56.176 54.840 0.052 0.000 0.745 320 L CB -0.693 41.337 42.059 -0.048 0.000 0.898 320 L HN 0.270 nan 8.230 nan 0.000 0.433 321 F N -0.255 119.748 119.950 0.088 0.000 2.171 321 F HA -0.220 4.305 4.527 -0.004 0.000 0.300 321 F C 3.009 178.947 175.800 0.230 0.000 1.090 321 F CA 1.658 59.736 58.000 0.130 0.000 1.293 321 F CB -0.549 38.434 39.000 -0.028 0.000 1.013 321 F HN 0.003 nan 8.300 nan 0.000 0.486 322 S N -0.098 115.791 115.700 0.316 0.000 2.368 322 S HA -0.157 4.311 4.470 -0.004 0.000 0.225 322 S C 2.252 176.949 174.600 0.161 0.000 1.030 322 S CA 1.092 59.420 58.200 0.212 0.000 0.999 322 S CB -0.504 62.764 63.200 0.113 0.000 0.844 322 S HN 0.290 nan 8.310 nan 0.000 0.459 323 A N 0.319 123.218 122.820 0.133 0.000 2.067 323 A HA 0.197 4.515 4.320 -0.004 0.000 0.219 323 A C 2.084 179.725 177.584 0.096 0.000 1.158 323 A CA 1.420 53.513 52.037 0.093 0.000 0.661 323 A CB -1.069 17.978 19.000 0.078 0.000 0.801 323 A HN 0.610 nan 8.150 nan 0.000 0.452 324 G N -2.073 106.819 108.800 0.153 0.000 2.920 324 G HA2 0.359 4.316 3.960 -0.004 0.000 0.208 324 G HA3 0.359 4.316 3.960 -0.004 0.000 0.208 324 G C 1.076 176.038 174.900 0.104 0.000 1.159 324 G CA 0.538 45.733 45.100 0.159 0.000 0.784 324 G HN 1.592 nan 8.290 nan 0.000 0.535 325 G N -1.654 107.207 108.800 0.103 0.000 2.179 325 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.220 325 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.220 325 G C 0.048 174.931 174.900 -0.027 0.000 0.990 325 G CA -0.145 44.949 45.100 -0.010 0.000 0.646 325 G HN 0.370 nan 8.290 nan 0.000 0.517 326 Y N 1.374 121.760 120.300 0.142 0.000 2.320 326 Y HA 0.585 5.133 4.550 -0.004 0.000 0.324 326 Y C 1.262 177.232 175.900 0.116 0.000 1.190 326 Y CA -0.090 58.103 58.100 0.156 0.000 1.215 326 Y CB 1.267 39.871 38.460 0.240 0.000 1.221 326 Y HN 0.008 nan 8.280 nan 0.000 0.486 327 T N 3.016 117.722 114.554 0.254 0.000 2.870 327 T HA 0.561 4.908 4.350 -0.004 0.000 0.300 327 T C -0.246 174.544 174.700 0.148 0.000 0.989 327 T CA -0.231 61.964 62.100 0.159 0.000 1.139 327 T CB 0.040 68.983 68.868 0.126 0.000 0.920 327 T HN 0.717 nan 8.240 nan 0.000 0.537 328 A N 3.258 126.138 122.820 0.099 0.000 2.475 328 A HA 0.855 5.172 4.320 -0.004 0.000 0.301 328 A C -1.302 176.291 177.584 0.015 0.000 1.059 328 A CA -0.935 51.127 52.037 0.041 0.000 0.710 328 A CB 1.138 20.188 19.000 0.083 0.000 1.288 328 A HN 0.756 nan 8.150 nan 0.000 0.408 329 L N -0.939 120.274 121.223 -0.016 0.000 2.415 329 L HA 0.909 5.246 4.340 -0.004 0.000 0.256 329 L C -0.975 175.919 176.870 0.040 0.000 1.010 329 L CA -0.969 53.878 54.840 0.010 0.000 0.826 329 L CB 1.249 43.301 42.059 -0.012 0.000 1.405 329 L HN 0.361 nan 8.230 nan 0.000 0.410 330 V N 1.473 121.444 119.914 0.096 0.000 2.435 330 V HA 0.606 4.724 4.120 -0.004 0.000 0.290 330 V C -1.276 174.964 176.094 0.243 0.000 1.030 330 V CA -0.295 62.090 62.300 0.142 0.000 0.881 330 V CB 1.106 33.014 31.823 0.141 0.000 0.983 330 V HN 0.790 nan 8.190 nan 0.000 0.445 331 Y N 2.957 123.304 120.300 0.078 0.000 2.358 331 Y HA 0.730 5.278 4.550 -0.004 0.000 0.324 331 Y C -0.128 175.845 175.900 0.122 0.000 1.123 331 Y CA -0.348 57.828 58.100 0.127 0.000 1.067 331 Y CB 1.882 40.438 38.460 0.160 0.000 1.230 331 Y HN 0.863 nan 8.280 nan 0.000 0.429 332 G N 5.779 114.346 108.800 -0.388 0.000 2.579 332 G HA2 0.491 4.449 3.960 -0.004 0.000 0.292 332 G HA3 0.491 4.449 3.960 -0.004 0.000 0.292 332 G C -3.597 170.943 174.900 -0.601 0.000 1.484 332 G CA -1.376 43.315 45.100 -0.683 0.000 0.813 332 G HN 0.302 nan 8.290 nan 0.000 0.515 333 P HA 0.558 nan 4.420 nan 0.000 0.277 333 P C 0.549 177.697 177.300 -0.253 0.000 1.240 333 P CA 0.916 63.792 63.100 -0.374 0.000 0.798 333 P CB 1.689 33.178 31.700 -0.351 0.000 0.979 334 G N 0.968 109.679 108.800 -0.148 0.000 2.663 334 G HA2 -0.081 3.876 3.960 -0.004 0.000 0.686 334 G HA3 -0.081 3.876 3.960 -0.004 0.000 0.686 334 G C -1.620 173.201 174.900 -0.133 0.000 1.288 334 G CA -0.627 44.389 45.100 -0.139 0.000 0.836 334 G HN 0.689 nan 8.290 nan 0.000 0.584 335 D N -0.331 119.973 120.400 -0.161 0.000 2.217 335 D HA 0.475 5.112 4.640 -0.004 0.000 0.243 335 D C 1.503 177.666 176.300 -0.228 0.000 1.054 335 D CA -0.728 53.185 54.000 -0.145 0.000 0.838 335 D CB 1.625 42.355 40.800 -0.117 0.000 1.162 335 D HN 0.404 nan 8.370 nan 0.000 0.472 336 I N 4.129 124.568 120.570 -0.219 0.000 2.530 336 I HA -0.196 3.972 4.170 -0.004 0.000 0.257 336 I C 1.943 177.878 176.117 -0.303 0.000 1.179 336 I CA 1.419 62.505 61.300 -0.357 0.000 1.440 336 I CB -0.152 37.596 38.000 -0.420 0.000 1.087 336 I HN 0.523 nan 8.210 nan 0.000 0.440 337 A N -0.663 122.030 122.820 -0.213 0.000 2.019 337 A HA -0.233 4.084 4.320 -0.004 0.000 0.219 337 A C 2.120 179.547 177.584 -0.261 0.000 1.164 337 A CA 1.682 53.607 52.037 -0.186 0.000 0.644 337 A CB -0.486 18.440 19.000 -0.124 0.000 0.805 337 A HN 0.528 nan 8.150 nan 0.000 0.449 338 Q N -0.542 119.037 119.800 -0.369 0.000 2.424 338 Q HA 0.413 4.750 4.340 -0.004 0.000 0.204 338 Q C 0.796 176.584 176.000 -0.353 0.000 0.933 338 Q CA 0.584 56.111 55.803 -0.460 0.000 0.929 338 Q CB -0.182 28.088 28.738 -0.781 0.000 1.037 338 Q HN 0.592 nan 8.270 nan 0.000 0.511 339 A N 0.829 123.418 122.820 -0.386 0.000 2.488 339 A HA 0.184 4.501 4.320 -0.004 0.000 0.249 339 A C -0.551 176.783 177.584 -0.415 0.000 1.083 339 A CA -0.175 51.573 52.037 -0.481 0.000 0.768 339 A CB -0.219 18.312 19.000 -0.782 0.000 1.017 339 A HN 0.543 nan 8.150 nan 0.000 0.496 340 H N -0.139 118.897 119.070 -0.056 0.000 2.862 340 H HA -0.150 4.403 4.556 -0.004 0.000 0.290 340 H C 0.456 175.776 175.328 -0.013 0.000 1.211 340 H CA 1.160 57.203 56.048 -0.009 0.000 1.140 340 H CB -2.734 27.010 29.762 -0.030 0.000 1.341 340 H HN 1.076 nan 8.280 nan 0.000 0.392 341 T N -3.376 111.197 114.554 0.030 0.000 2.932 341 T HA 0.853 5.200 4.350 -0.004 0.000 0.289 341 T C 0.578 175.131 174.700 -0.244 0.000 1.039 341 T CA -0.493 61.557 62.100 -0.083 0.000 1.024 341 T CB 2.924 71.694 68.868 -0.164 0.000 1.090 341 T HN 0.600 nan 8.240 nan 0.000 0.496 342 A N 1.504 124.096 122.820 -0.380 0.000 2.462 342 A HA 0.449 4.767 4.320 -0.004 0.000 0.243 342 A C 0.565 177.473 177.584 -1.126 0.000 1.076 342 A CA -0.137 51.325 52.037 -0.958 0.000 0.773 342 A CB -0.836 17.883 19.000 -0.469 0.000 1.010 342 A HN 0.994 nan 8.150 nan 0.000 0.493 343 D N 0.052 119.196 120.400 -2.094 0.000 2.723 343 D HA -0.152 4.485 4.640 -0.004 0.000 0.236 343 D C 0.291 176.259 176.300 -0.552 0.000 1.138 343 D CA 1.543 54.862 54.000 -1.135 0.000 0.676 343 D CB -1.086 39.446 40.800 -0.447 0.000 1.069 343 D HN 0.923 nan 8.370 nan 0.000 0.430 344 E N 0.374 120.217 120.200 -0.596 0.000 2.529 344 E HA 0.132 4.479 4.350 -0.004 0.000 0.259 344 E C 0.006 176.608 176.600 0.004 0.000 0.966 344 E CA 0.149 56.442 56.400 -0.178 0.000 0.937 344 E CB 0.326 30.062 29.700 0.060 0.000 0.923 344 E HN 0.270 nan 8.360 nan 0.000 0.468 345 F N 2.209 122.116 119.950 -0.072 0.000 2.650 345 F HA 0.714 5.239 4.527 -0.004 0.000 0.320 345 F C -1.669 174.100 175.800 -0.051 0.000 1.091 345 F CA -1.239 56.733 58.000 -0.047 0.000 0.962 345 F CB 1.252 40.216 39.000 -0.060 0.000 1.363 345 F HN 0.166 nan 8.300 nan 0.000 0.482 346 V N 1.453 121.544 119.914 0.295 0.000 2.733 346 V HA 0.601 4.719 4.120 -0.004 0.000 0.306 346 V C -0.545 175.686 176.094 0.228 0.000 1.084 346 V CA -0.027 62.373 62.300 0.166 0.000 0.905 346 V CB 2.056 33.886 31.823 0.012 0.000 1.010 346 V HN 1.315 nan 8.190 nan 0.000 0.424 347 T N 4.340 119.015 114.554 0.201 0.000 2.898 347 T HA 0.334 4.681 4.350 -0.004 0.000 0.301 347 T C 1.329 176.068 174.700 0.066 0.000 1.049 347 T CA -0.319 61.849 62.100 0.114 0.000 1.095 347 T CB 0.981 69.904 68.868 0.092 0.000 0.976 347 T HN 0.598 nan 8.240 nan 0.000 0.539 348 L N 1.564 122.815 121.223 0.046 0.000 2.131 348 L HA -0.045 4.293 4.340 -0.004 0.000 0.210 348 L C 3.126 180.024 176.870 0.047 0.000 1.092 348 L CA 1.435 56.303 54.840 0.047 0.000 0.759 348 L CB -1.066 41.019 42.059 0.044 0.000 0.903 348 L HN 0.952 nan 8.230 nan 0.000 0.435 349 A N -0.652 122.189 122.820 0.036 0.000 1.902 349 A HA -0.215 4.102 4.320 -0.004 0.000 0.217 349 A C 2.294 179.899 177.584 0.036 0.000 1.181 349 A CA 1.288 53.340 52.037 0.025 0.000 0.623 349 A CB -0.345 18.664 19.000 0.016 0.000 0.818 349 A HN 0.350 nan 8.150 nan 0.000 0.443 350 Q N -0.958 118.867 119.800 0.040 0.000 2.079 350 Q HA -0.106 4.231 4.340 -0.004 0.000 0.200 350 Q C 2.105 178.135 176.000 0.050 0.000 0.974 350 Q CA 1.037 56.861 55.803 0.035 0.000 0.840 350 Q CB -0.502 28.243 28.738 0.012 0.000 0.898 350 Q HN 0.510 nan 8.270 nan 0.000 0.430 351 L N 1.233 122.485 121.223 0.048 0.000 2.012 351 L HA -0.201 4.137 4.340 -0.004 0.000 0.210 351 L C 2.481 179.413 176.870 0.103 0.000 1.073 351 L CA 1.789 56.671 54.840 0.070 0.000 0.748 351 L CB -0.952 41.141 42.059 0.056 0.000 0.891 351 L HN 0.318 nan 8.230 nan 0.000 0.431 352 Q N -0.741 119.107 119.800 0.080 0.000 2.084 352 Q HA -0.257 4.080 4.340 -0.004 0.000 0.202 352 Q C 2.445 178.489 176.000 0.072 0.000 0.978 352 Q CA 1.730 57.579 55.803 0.075 0.000 0.844 352 Q CB -0.052 28.721 28.738 0.060 0.000 0.898 352 Q HN 0.393 nan 8.270 nan 0.000 0.426 353 R N -0.809 119.735 120.500 0.074 0.000 2.081 353 R HA -0.211 4.126 4.340 -0.004 0.000 0.235 353 R C 2.216 178.585 176.300 0.114 0.000 1.131 353 R CA 1.668 57.817 56.100 0.082 0.000 0.960 353 R CB -0.450 29.900 30.300 0.084 0.000 0.856 353 R HN 0.368 nan 8.270 nan 0.000 0.436 354 Y N 0.294 120.589 120.300 -0.008 0.000 2.163 354 Y HA -0.180 4.368 4.550 -0.004 0.000 0.288 354 Y C 2.084 177.987 175.900 0.005 0.000 1.136 354 Y CA 1.677 59.752 58.100 -0.042 0.000 1.147 354 Y CB -0.485 37.881 38.460 -0.157 0.000 0.987 354 Y HN -0.062 nan 8.280 nan 0.000 0.509 355 V N 0.593 120.524 119.914 0.028 0.000 2.407 355 V HA -0.268 3.849 4.120 -0.004 0.000 0.248 355 V C 1.929 177.982 176.094 -0.068 0.000 1.055 355 V CA 2.537 64.805 62.300 -0.053 0.000 1.049 355 V CB -0.381 31.473 31.823 0.052 0.000 0.662 355 V HN 0.569 nan 8.190 nan 0.000 0.455 356 E N -0.481 119.711 120.200 -0.013 0.000 2.106 356 E HA -0.185 4.162 4.350 -0.004 0.000 0.192 356 E C 2.357 178.946 176.600 -0.018 0.000 0.984 356 E CA 1.391 57.791 56.400 0.001 0.000 0.806 356 E CB -0.231 29.484 29.700 0.026 0.000 0.750 356 E HN 0.620 nan 8.360 nan 0.000 0.458 357 S N 0.514 116.196 115.700 -0.030 0.000 2.355 357 S HA -0.133 4.335 4.470 -0.004 0.000 0.222 357 S C 2.275 176.845 174.600 -0.051 0.000 1.031 357 S CA 1.363 59.559 58.200 -0.008 0.000 0.993 357 S CB -0.176 63.085 63.200 0.100 0.000 0.859 357 S HN 0.264 nan 8.310 nan 0.000 0.453 358 V N 0.788 120.590 119.914 -0.185 0.000 2.667 358 V HA 0.006 4.124 4.120 -0.004 0.000 0.252 358 V C 2.090 178.124 176.094 -0.100 0.000 1.065 358 V CA 2.209 64.395 62.300 -0.190 0.000 1.083 358 V CB -1.435 30.082 31.823 -0.510 0.000 0.692 358 V HN 0.515 nan 8.190 nan 0.000 0.468 359 N N 1.216 119.869 118.700 -0.077 0.000 2.188 359 N HA -0.193 4.545 4.740 -0.004 0.000 0.184 359 N C 2.099 177.617 175.510 0.014 0.000 1.018 359 N CA 1.904 54.946 53.050 -0.014 0.000 0.858 359 N CB -0.447 38.040 38.487 -0.000 0.000 0.989 359 N HN 0.572 nan 8.380 nan 0.000 0.426 360 R N 0.226 120.731 120.500 0.008 0.000 2.073 360 R HA -0.032 4.305 4.340 -0.004 0.000 0.234 360 R C 2.059 178.382 176.300 0.038 0.000 1.134 360 R CA 1.407 57.520 56.100 0.021 0.000 0.952 360 R CB -0.343 29.965 30.300 0.013 0.000 0.850 360 R HN 0.303 nan 8.270 nan 0.000 0.433 361 I N 0.468 121.066 120.570 0.047 0.000 2.226 361 I HA -0.301 3.866 4.170 -0.004 0.000 0.245 361 I C 2.220 178.417 176.117 0.132 0.000 1.100 361 I CA 1.377 62.729 61.300 0.086 0.000 1.374 361 I CB -0.149 37.934 38.000 0.138 0.000 1.057 361 I HN 0.250 nan 8.210 nan 0.000 0.413 362 I N 0.326 120.971 120.570 0.125 0.000 2.277 362 I HA -0.186 3.982 4.170 -0.004 0.000 0.243 362 I C 1.748 177.914 176.117 0.083 0.000 1.094 362 I CA 1.232 62.610 61.300 0.130 0.000 1.393 362 I CB -0.232 37.843 38.000 0.124 0.000 1.078 362 I HN 0.264 nan 8.210 nan 0.000 0.417 363 N N 0.365 119.103 118.700 0.062 0.000 2.250 363 N HA 0.108 4.846 4.740 -0.004 0.000 0.190 363 N C 0.838 176.372 175.510 0.039 0.000 1.116 363 N CA 0.191 53.269 53.050 0.046 0.000 0.881 363 N CB 0.427 38.941 38.487 0.044 0.000 1.006 363 N HN 0.183 nan 8.380 nan 0.000 0.491 364 G N 1.165 109.989 108.800 0.040 0.000 2.614 364 G HA2 0.208 4.166 3.960 -0.004 0.000 0.239 364 G HA3 0.208 4.166 3.960 -0.004 0.000 0.239 364 G C 0.608 175.528 174.900 0.033 0.000 1.240 364 G CA -0.169 44.952 45.100 0.034 0.000 0.842 364 G HN 0.209 nan 8.290 nan 0.000 0.584 365 S N 0.000 115.716 115.700 0.027 0.000 2.498 365 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 365 S CA 0.000 58.215 58.200 0.024 0.000 1.107 365 S CB 0.000 63.212 63.200 0.020 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517