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 1vcg_1_D DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAXTX XXXXXERINL ALAEAAEALG VGXXLGSGRI LLERPXXXXX DATA SEQUENCE XXVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEXLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVXVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.698 176.600 0.163 0.000 0.988 9 K CA 0.000 56.379 56.287 0.153 0.000 0.838 9 K CB 0.000 32.609 32.500 0.181 0.000 1.064 10 H N 1.886 121.005 119.070 0.082 0.000 2.389 10 H HA 0.046 4.602 4.556 -0.000 0.000 0.299 10 H C 1.761 177.113 175.328 0.039 0.000 1.081 10 H CA 1.465 57.572 56.048 0.097 0.000 1.345 10 H CB 0.166 30.074 29.762 0.244 0.000 1.393 10 H HN 0.005 nan 8.280 nan 0.000 0.520 11 L N 0.919 122.251 121.223 0.180 0.000 2.141 11 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 11 L C 1.949 178.828 176.870 0.015 0.000 1.094 11 L CA 1.751 56.641 54.840 0.083 0.000 0.763 11 L CB -0.591 41.510 42.059 0.070 0.000 0.908 11 L HN 0.377 nan 8.230 nan 0.000 0.437 12 E N -0.225 119.992 120.200 0.029 0.000 2.028 12 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 12 E C 2.151 178.716 176.600 -0.058 0.000 0.988 12 E CA 1.228 57.631 56.400 0.005 0.000 0.799 12 E CB 0.082 29.809 29.700 0.046 0.000 0.755 12 E HN 0.558 nan 8.360 nan 0.000 0.447 13 A N 0.648 123.420 122.820 -0.080 0.000 1.883 13 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 13 A C 2.484 179.824 177.584 -0.407 0.000 1.186 13 A CA 1.630 53.510 52.037 -0.261 0.000 0.624 13 A CB -1.031 17.845 19.000 -0.207 0.000 0.822 13 A HN 0.523 nan 8.150 nan 0.000 0.444 14 C N -0.947 118.172 119.300 -0.301 0.000 2.419 14 C HA -0.012 4.448 4.460 -0.000 0.000 0.281 14 C C 2.367 177.210 174.990 -0.244 0.000 1.336 14 C CA 0.841 59.677 59.018 -0.304 0.000 1.770 14 C CB -1.129 26.484 27.740 -0.212 0.000 1.929 14 C HN 0.603 nan 8.230 nan 0.000 0.509 15 L N 0.510 121.621 121.223 -0.186 0.000 2.375 15 L HA 0.089 4.429 4.340 -0.000 0.000 0.215 15 L C 1.794 178.572 176.870 -0.153 0.000 1.108 15 L CA 1.816 56.572 54.840 -0.140 0.000 0.830 15 L CB -0.598 41.411 42.059 -0.083 0.000 0.959 15 L HN 0.458 nan 8.230 nan 0.000 0.457 16 E N -1.664 118.413 120.200 -0.205 0.000 2.541 16 E HA 0.196 4.546 4.350 -0.000 0.000 0.219 16 E C 0.748 177.135 176.600 -0.356 0.000 0.922 16 E CA 0.030 56.323 56.400 -0.179 0.000 1.095 16 E CB 0.988 30.660 29.700 -0.046 0.000 1.112 16 E HN 0.316 nan 8.360 nan 0.000 0.516 17 G N 0.892 109.223 108.800 -0.781 0.000 2.552 17 G HA2 0.254 4.214 3.960 -0.000 0.000 0.324 17 G HA3 0.254 4.214 3.960 -0.000 0.000 0.324 17 G C -0.277 173.958 174.900 -1.107 0.000 1.217 17 G CA -0.541 43.547 45.100 -1.687 0.000 0.989 17 G HN -0.107 nan 8.290 nan 0.000 0.490 18 E N 1.434 120.956 120.200 -1.130 0.000 1.979 18 E HA 0.072 4.422 4.350 -0.000 0.000 0.285 18 E C 1.443 177.835 176.600 -0.347 0.000 1.188 18 E CA -0.288 55.865 56.400 -0.412 0.000 1.214 18 E CB 0.710 30.365 29.700 -0.075 0.000 1.210 18 E HN 0.383 nan 8.360 nan 0.000 0.477 19 V N -1.636 118.029 119.914 -0.415 0.000 3.649 19 V HA 0.327 4.447 4.120 -0.000 0.000 0.275 19 V C 0.987 176.919 176.094 -0.270 0.000 1.281 19 V CA -0.053 62.033 62.300 -0.356 0.000 1.143 19 V CB -0.194 31.343 31.823 -0.477 0.000 0.892 19 V HN 0.256 nan 8.190 nan 0.000 0.441 20 A N -0.471 122.250 122.820 -0.165 0.000 2.287 20 A HA 0.626 4.946 4.320 -0.000 0.000 0.273 20 A C -0.383 177.172 177.584 -0.049 0.000 1.091 20 A CA -0.496 51.511 52.037 -0.051 0.000 0.817 20 A CB -0.032 18.996 19.000 0.047 0.000 1.069 20 A HN 0.414 nan 8.150 nan 0.000 0.492 21 Y N 0.300 120.585 120.300 -0.025 0.000 2.497 21 Y HA 0.064 4.614 4.550 -0.000 0.000 0.334 21 Y C 1.686 177.584 175.900 -0.003 0.000 1.199 21 Y CA 0.573 58.661 58.100 -0.020 0.000 1.425 21 Y CB 0.695 39.134 38.460 -0.035 0.000 1.291 21 Y HN 0.664 nan 8.280 nan 0.000 0.562 22 Q N 1.829 121.721 119.800 0.153 0.000 2.390 22 Q HA 0.051 4.391 4.340 -0.000 0.000 0.216 22 Q C 1.067 177.122 176.000 0.093 0.000 0.916 22 Q CA 1.041 56.902 55.803 0.097 0.000 0.911 22 Q CB 0.273 29.052 28.738 0.067 0.000 1.035 22 Q HN 0.724 nan 8.270 nan 0.000 0.541 23 K N 0.473 120.940 120.400 0.112 0.000 2.312 23 K HA 0.115 4.435 4.320 -0.000 0.000 0.206 23 K C 0.684 177.316 176.600 0.053 0.000 1.121 23 K CA 0.629 56.960 56.287 0.073 0.000 0.923 23 K CB 0.300 32.839 32.500 0.066 0.000 1.162 23 K HN 0.171 nan 8.250 nan 0.000 0.478 24 T N 1.731 116.325 114.554 0.066 0.000 2.926 24 T HA 0.159 4.509 4.350 -0.000 0.000 0.307 24 T C 0.372 175.004 174.700 -0.113 0.000 1.059 24 T CA -0.473 61.600 62.100 -0.045 0.000 1.122 24 T CB 1.089 69.887 68.868 -0.117 0.000 0.972 24 T HN 0.260 nan 8.240 nan 0.000 0.545 25 T N -2.228 112.247 114.554 -0.131 0.000 2.907 25 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 25 T C 1.594 176.198 174.700 -0.161 0.000 1.066 25 T CA -0.225 61.798 62.100 -0.128 0.000 1.012 25 T CB 1.270 70.099 68.868 -0.064 0.000 1.184 25 T HN 0.727 nan 8.240 nan 0.000 0.522 26 T N -2.064 112.404 114.554 -0.143 0.000 2.833 26 T HA 0.194 4.544 4.350 -0.000 0.000 0.269 26 T C 1.924 176.598 174.700 -0.043 0.000 1.054 26 T CA 1.614 63.641 62.100 -0.122 0.000 1.135 26 T CB -1.150 67.651 68.868 -0.111 0.000 0.869 26 T HN 2.117 nan 8.240 nan 0.000 0.466 27 G N 0.787 109.578 108.800 -0.015 0.000 2.175 27 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 27 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 27 G C 0.780 175.772 174.900 0.154 0.000 0.982 27 G CA 0.291 45.417 45.100 0.042 0.000 0.641 27 G HN 0.552 nan 8.290 nan 0.000 0.527 28 L N 1.357 122.661 121.223 0.136 0.000 2.265 28 L HA -0.013 4.327 4.340 -0.000 0.000 0.215 28 L C 2.885 179.873 176.870 0.197 0.000 1.117 28 L CA 1.688 56.660 54.840 0.220 0.000 0.782 28 L CB -0.271 41.834 42.059 0.077 0.000 0.914 28 L HN 0.587 nan 8.230 nan 0.000 0.441 29 E N 0.537 120.782 120.200 0.074 0.000 2.338 29 E HA -0.150 4.199 4.350 -0.000 0.000 0.197 29 E C 1.794 178.376 176.600 -0.029 0.000 1.007 29 E CA 1.278 57.690 56.400 0.021 0.000 0.849 29 E CB -0.325 29.369 29.700 -0.010 0.000 0.774 29 E HN 0.400 nan 8.360 nan 0.000 0.506 30 G N 0.104 108.844 108.800 -0.099 0.000 2.920 30 G HA2 0.149 4.109 3.960 -0.000 0.000 0.208 30 G HA3 0.149 4.109 3.960 -0.000 0.000 0.208 30 G C -0.153 174.377 174.900 -0.617 0.000 1.159 30 G CA -0.226 44.654 45.100 -0.367 0.000 0.784 30 G HN 0.105 nan 8.290 nan 0.000 0.535 31 F N -0.855 119.083 119.950 -0.020 0.000 2.565 31 F HA 0.606 5.133 4.527 -0.000 0.000 0.313 31 F C 0.287 176.079 175.800 -0.014 0.000 1.091 31 F CA -1.166 56.825 58.000 -0.016 0.000 0.915 31 F CB 2.025 41.016 39.000 -0.015 0.000 1.208 31 F HN -0.324 nan 8.300 nan 0.000 0.453 32 R N 2.216 122.817 120.500 0.168 0.000 2.562 32 R HA 0.595 4.935 4.340 -0.000 0.000 0.298 32 R C -1.124 175.234 176.300 0.097 0.000 0.961 32 R CA -0.986 55.171 56.100 0.095 0.000 0.881 32 R CB 1.917 32.248 30.300 0.051 0.000 1.159 32 R HN 0.639 nan 8.270 nan 0.000 0.450 33 L N 3.837 125.102 121.223 0.071 0.000 2.416 33 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 33 L C 0.842 177.756 176.870 0.073 0.000 1.161 33 L CA -0.066 54.810 54.840 0.062 0.000 0.845 33 L CB 0.385 42.474 42.059 0.049 0.000 1.119 33 L HN 0.340 nan 8.230 nan 0.000 0.464 34 R N 3.287 123.823 120.500 0.061 0.000 2.459 34 R HA 0.017 4.357 4.340 -0.000 0.000 0.301 34 R C -0.694 175.650 176.300 0.074 0.000 1.286 34 R CA -0.326 55.809 56.100 0.058 0.000 1.046 34 R CB -0.311 30.004 30.300 0.024 0.000 1.071 34 R HN 0.364 nan 8.270 nan 0.000 0.512 35 Y N 3.306 123.586 120.300 -0.033 0.000 2.605 35 Y HA -0.062 4.487 4.550 -0.000 0.000 0.336 35 Y C -0.134 175.726 175.900 -0.066 0.000 1.111 35 Y CA 0.014 58.082 58.100 -0.054 0.000 1.422 35 Y CB 0.638 39.071 38.460 -0.044 0.000 1.193 35 Y HN 0.300 nan 8.280 nan 0.000 0.526 36 Q N 6.531 125.995 119.800 -0.561 0.000 2.509 36 Q HA 0.359 4.699 4.340 -0.000 0.000 0.236 36 Q C 0.895 176.388 176.000 -0.844 0.000 1.073 36 Q CA 0.212 55.675 55.803 -0.566 0.000 0.867 36 Q CB 1.223 29.773 28.738 -0.315 0.000 1.181 36 Q HN 0.944 nan 8.270 nan 0.000 0.526 37 A N 2.470 124.684 122.820 -1.010 0.000 2.024 37 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 37 A C 1.096 178.475 177.584 -0.342 0.000 1.164 37 A CA 1.121 52.736 52.037 -0.704 0.000 0.643 37 A CB 0.119 18.915 19.000 -0.340 0.000 0.806 37 A HN 0.601 nan 8.150 nan 0.000 0.451 38 L N -1.110 119.943 121.223 -0.283 0.000 3.209 38 L HA 0.294 4.634 4.340 -0.000 0.000 0.279 38 L C 1.608 178.380 176.870 -0.163 0.000 1.301 38 L CA 0.105 54.842 54.840 -0.172 0.000 1.004 38 L CB 0.480 42.471 42.059 -0.115 0.000 1.402 38 L HN 0.297 nan 8.230 nan 0.000 0.577 39 A N -0.179 122.511 122.820 -0.216 0.000 2.209 39 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 39 A C 1.681 179.197 177.584 -0.114 0.000 1.158 39 A CA 0.649 52.584 52.037 -0.171 0.000 0.742 39 A CB -0.434 18.434 19.000 -0.220 0.000 0.790 39 A HN 0.584 nan 8.150 nan 0.000 0.472 40 G N -0.379 108.358 108.800 -0.105 0.000 2.372 40 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.290 40 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.290 40 G C -0.222 174.679 174.900 0.000 0.000 0.965 40 G CA 0.816 45.891 45.100 -0.042 0.000 1.263 40 G HN 1.474 nan 8.290 nan 0.000 0.498 41 L N -2.716 118.529 121.223 0.037 0.000 2.322 41 L HA 1.061 5.401 4.340 -0.000 0.000 0.252 41 L C 0.040 177.075 176.870 0.275 0.000 1.055 41 L CA -1.389 53.521 54.840 0.117 0.000 0.849 41 L CB 1.112 43.229 42.059 0.096 0.000 1.446 41 L HN 0.902 nan 8.230 nan 0.000 0.416 42 A N 0.243 123.196 122.820 0.222 0.000 2.317 42 A HA 0.639 4.959 4.320 -0.000 0.000 0.327 42 A C 0.689 178.312 177.584 0.065 0.000 1.178 42 A CA -0.426 51.709 52.037 0.164 0.000 0.817 42 A CB 0.849 19.881 19.000 0.053 0.000 1.189 42 A HN 0.971 nan 8.150 nan 0.000 0.489 43 L N 3.133 124.145 121.223 -0.351 0.000 2.081 43 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 43 L C 2.508 179.239 176.870 -0.231 0.000 1.080 43 L CA 3.131 57.568 54.840 -0.673 0.000 0.754 43 L CB -0.681 40.790 42.059 -0.980 0.000 0.893 43 L HN 0.820 nan 8.230 nan 0.000 0.433 44 S N -0.457 115.153 115.700 -0.151 0.000 2.442 44 S HA -0.229 4.241 4.470 -0.000 0.000 0.236 44 S C 1.567 176.151 174.600 -0.026 0.000 1.007 44 S CA 1.030 59.185 58.200 -0.075 0.000 0.965 44 S CB -0.807 62.360 63.200 -0.055 0.000 0.773 44 S HN 0.821 nan 8.310 nan 0.000 0.504 45 E N 0.971 121.173 120.200 0.004 0.000 2.489 45 E HA 0.206 4.556 4.350 -0.000 0.000 0.193 45 E C 0.340 176.969 176.600 0.048 0.000 1.057 45 E CA -0.099 56.319 56.400 0.031 0.000 0.866 45 E CB 0.075 29.803 29.700 0.047 0.000 0.916 45 E HN 0.346 nan 8.360 nan 0.000 0.500 46 V N 2.264 122.209 119.914 0.053 0.000 2.389 46 V HA 0.089 4.209 4.120 -0.000 0.000 0.264 46 V C -0.757 175.364 176.094 0.045 0.000 1.049 46 V CA -0.499 61.843 62.300 0.070 0.000 0.932 46 V CB 1.022 32.911 31.823 0.111 0.000 1.011 46 V HN 0.243 nan 8.190 nan 0.000 0.475 47 D N 5.770 126.197 120.400 0.045 0.000 2.280 47 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 47 D C 0.722 177.050 176.300 0.046 0.000 1.082 47 D CA -0.399 53.624 54.000 0.039 0.000 0.834 47 D CB 1.869 42.690 40.800 0.035 0.000 1.100 47 D HN 0.603 nan 8.370 nan 0.000 0.486 48 L N 2.583 123.834 121.223 0.046 0.000 2.554 48 L HA 0.036 4.376 4.340 -0.000 0.000 0.226 48 L C 1.008 177.913 176.870 0.058 0.000 1.137 48 L CA 0.231 55.105 54.840 0.057 0.000 0.863 48 L CB -0.195 41.901 42.059 0.062 0.000 0.985 48 L HN 0.345 nan 8.230 nan 0.000 0.451 49 T N 1.625 116.209 114.554 0.051 0.000 2.866 49 T HA 0.113 4.463 4.350 -0.000 0.000 0.293 49 T C 0.478 175.215 174.700 0.061 0.000 1.005 49 T CA 0.530 62.662 62.100 0.053 0.000 1.162 49 T CB 0.093 68.989 68.868 0.045 0.000 0.968 49 T HN 0.384 nan 8.240 nan 0.000 0.530 50 T N 1.998 116.596 114.554 0.072 0.000 3.237 50 T HA 0.492 4.842 4.350 -0.000 0.000 0.319 50 T C -3.309 171.460 174.700 0.115 0.000 1.037 50 T CA -1.804 60.346 62.100 0.084 0.000 1.048 50 T CB 2.279 71.191 68.868 0.073 0.000 1.081 50 T HN 0.242 nan 8.240 nan 0.000 0.455 51 P HA 0.503 nan 4.420 nan 0.000 0.287 51 P C -1.338 176.098 177.300 0.228 0.000 1.281 51 P CA -0.368 62.813 63.100 0.136 0.000 0.781 51 P CB 0.572 32.326 31.700 0.091 0.000 0.903 52 F N 4.738 124.707 119.950 0.032 0.000 2.578 52 F HA 0.307 4.834 4.527 -0.000 0.000 0.311 52 F C 0.453 176.270 175.800 0.027 0.000 1.094 52 F CA -1.140 56.878 58.000 0.030 0.000 0.923 52 F CB 1.291 40.308 39.000 0.030 0.000 1.230 52 F HN 0.184 nan 8.300 nan 0.000 0.450 53 L N 5.271 126.045 121.223 -0.748 0.000 3.829 53 L HA -0.239 4.101 4.340 -0.000 0.000 0.440 53 L C 0.861 177.603 176.870 -0.215 0.000 1.192 53 L CA 1.040 55.547 54.840 -0.556 0.000 0.848 53 L CB -1.997 39.624 42.059 -0.729 0.000 1.744 53 L HN 1.260 nan 8.230 nan 0.000 0.920 54 G N 0.001 108.732 108.800 -0.115 0.000 2.324 54 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.292 54 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.292 54 G C -0.034 174.857 174.900 -0.016 0.000 1.079 54 G CA 0.641 45.714 45.100 -0.045 0.000 1.026 54 G HN 0.537 nan 8.290 nan 0.000 0.506 55 K N -1.079 119.329 120.400 0.012 0.000 2.622 55 K HA 0.357 4.677 4.320 -0.000 0.000 0.273 55 K C -0.997 175.645 176.600 0.070 0.000 0.957 55 K CA -0.841 55.469 56.287 0.038 0.000 0.861 55 K CB 1.311 33.835 32.500 0.040 0.000 1.405 55 K HN 0.058 nan 8.250 nan 0.000 0.406 56 T N 2.973 117.565 114.554 0.064 0.000 2.832 56 T HA 0.361 4.711 4.350 -0.000 0.000 0.313 56 T C 0.155 174.902 174.700 0.078 0.000 1.035 56 T CA -0.512 61.632 62.100 0.073 0.000 0.950 56 T CB -0.111 68.789 68.868 0.054 0.000 0.984 56 T HN 0.217 nan 8.240 nan 0.000 0.486 57 L N 2.884 124.168 121.223 0.102 0.000 2.418 57 L HA 0.392 4.732 4.340 -0.000 0.000 0.265 57 L C 1.583 178.500 176.870 0.078 0.000 1.143 57 L CA -0.562 54.337 54.840 0.098 0.000 0.809 57 L CB 0.737 42.871 42.059 0.124 0.000 1.124 57 L HN 0.510 nan 8.230 nan 0.000 0.456 58 K N 1.059 121.499 120.400 0.067 0.000 2.459 58 K HA 0.284 4.604 4.320 -0.000 0.000 0.193 58 K C 0.035 176.670 176.600 0.058 0.000 1.030 58 K CA 0.212 56.531 56.287 0.052 0.000 1.026 58 K CB 0.345 32.867 32.500 0.036 0.000 0.809 58 K HN 0.682 nan 8.250 nan 0.000 0.504 59 A N 1.309 124.176 122.820 0.079 0.000 2.589 59 A HA 0.312 4.632 4.320 -0.000 0.000 0.296 59 A C -2.712 174.946 177.584 0.124 0.000 1.062 59 A CA -1.229 50.867 52.037 0.098 0.000 0.686 59 A CB 1.092 20.149 19.000 0.095 0.000 1.282 59 A HN -0.151 nan 8.150 nan 0.000 0.404 60 P HA 0.155 nan 4.420 nan 0.000 0.262 60 P C -0.736 176.612 177.300 0.079 0.000 1.647 60 P CA 0.641 63.775 63.100 0.056 0.000 0.865 60 P CB -0.801 30.923 31.700 0.040 0.000 1.834 61 F N 1.045 120.962 119.950 -0.055 0.000 2.532 61 F HA 0.535 5.062 4.527 -0.000 0.000 0.321 61 F C -1.004 174.743 175.800 -0.089 0.000 1.089 61 F CA -1.100 56.855 58.000 -0.076 0.000 0.926 61 F CB 1.564 40.527 39.000 -0.062 0.000 1.168 61 F HN -0.217 nan 8.300 nan 0.000 0.459 62 L N 6.894 127.769 121.223 -0.581 0.000 2.410 62 L HA 0.477 4.817 4.340 -0.000 0.000 0.270 62 L C -0.665 175.920 176.870 -0.475 0.000 0.983 62 L CA -0.931 53.722 54.840 -0.312 0.000 0.822 62 L CB 2.200 44.111 42.059 -0.246 0.000 1.285 62 L HN 0.560 nan 8.230 nan 0.000 0.409 63 I N 2.189 122.704 120.570 -0.092 0.000 2.556 63 I HA 0.110 4.280 4.170 -0.000 0.000 0.284 63 I C 1.153 177.196 176.117 -0.123 0.000 1.114 63 I CA 0.215 61.485 61.300 -0.049 0.000 1.418 63 I CB 1.149 39.180 38.000 0.051 0.000 1.394 63 I HN 0.695 nan 8.210 nan 0.000 0.552 64 G N 4.643 113.353 108.800 -0.150 0.000 2.594 64 G HA2 0.419 4.378 3.960 -0.000 0.000 0.243 64 G HA3 0.419 4.378 3.960 -0.000 0.000 0.243 64 G C 0.264 175.120 174.900 -0.073 0.000 1.229 64 G CA -0.274 44.760 45.100 -0.109 0.000 0.843 64 G HN 0.833 nan 8.290 nan 0.000 0.578 75 R N 2.983 123.478 120.500 -0.010 0.000 2.200 75 R HA 0.301 4.641 4.340 -0.000 0.000 0.208 75 R C 2.586 178.878 176.300 -0.012 0.000 1.033 75 R CA 1.485 57.580 56.100 -0.010 0.000 1.000 75 R CB -1.308 28.988 30.300 -0.007 0.000 0.906 75 R HN 0.445 nan 8.270 nan 0.000 0.462 76 I N -0.856 119.705 120.570 -0.015 0.000 2.226 76 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 76 I C 1.139 177.242 176.117 -0.022 0.000 1.100 76 I CA 1.429 62.717 61.300 -0.021 0.000 1.374 76 I CB -0.650 37.336 38.000 -0.024 0.000 1.057 76 I HN 0.049 nan 8.210 nan 0.000 0.413 77 N N 1.867 120.554 118.700 -0.021 0.000 2.205 77 N HA -0.112 4.627 4.740 -0.000 0.000 0.186 77 N C 2.037 177.536 175.510 -0.017 0.000 1.015 77 N CA 1.483 54.520 53.050 -0.022 0.000 0.862 77 N CB -0.256 38.217 38.487 -0.024 0.000 0.986 77 N HN 0.471 nan 8.380 nan 0.000 0.429 78 L N 0.521 121.735 121.223 -0.015 0.000 2.217 78 L HA 0.000 4.340 4.340 -0.000 0.000 0.211 78 L C 2.422 179.287 176.870 -0.009 0.000 1.107 78 L CA 0.494 55.328 54.840 -0.011 0.000 0.783 78 L CB -0.267 41.786 42.059 -0.009 0.000 0.919 78 L HN 0.103 nan 8.230 nan 0.000 0.442 79 A N -0.056 122.758 122.820 -0.011 0.000 1.930 79 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 79 A C 2.209 179.787 177.584 -0.011 0.000 1.176 79 A CA 0.773 52.804 52.037 -0.010 0.000 0.632 79 A CB -0.349 18.642 19.000 -0.013 0.000 0.819 79 A HN 0.281 nan 8.150 nan 0.000 0.445 80 L N -0.630 120.583 121.223 -0.016 0.000 2.005 80 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 80 L C 3.134 180.004 176.870 -0.001 0.000 1.072 80 L CA 1.130 55.962 54.840 -0.013 0.000 0.744 80 L CB -0.576 41.470 42.059 -0.022 0.000 0.895 80 L HN 0.415 nan 8.230 nan 0.000 0.433 81 A N -0.093 122.726 122.820 -0.003 0.000 1.883 81 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 81 A C 2.228 179.815 177.584 0.005 0.000 1.186 81 A CA 2.025 54.063 52.037 0.002 0.000 0.624 81 A CB -0.691 18.307 19.000 -0.004 0.000 0.822 81 A HN 0.486 nan 8.150 nan 0.000 0.444 82 E N -0.263 119.938 120.200 0.001 0.000 2.130 82 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 82 E C 2.012 178.615 176.600 0.005 0.000 0.998 82 E CA 1.286 57.688 56.400 0.003 0.000 0.806 82 E CB -0.253 29.447 29.700 0.000 0.000 0.738 82 E HN 0.570 nan 8.360 nan 0.000 0.459 83 A N 0.836 123.659 122.820 0.006 0.000 1.930 83 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 83 A C 2.387 179.978 177.584 0.011 0.000 1.176 83 A CA 1.333 53.374 52.037 0.007 0.000 0.632 83 A CB -0.661 18.343 19.000 0.007 0.000 0.819 83 A HN 0.403 nan 8.150 nan 0.000 0.445 84 A N -0.088 122.745 122.820 0.021 0.000 1.892 84 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 84 A C 2.003 179.604 177.584 0.030 0.000 1.188 84 A CA 1.847 53.906 52.037 0.037 0.000 0.631 84 A CB -0.489 18.537 19.000 0.043 0.000 0.822 84 A HN 0.504 nan 8.150 nan 0.000 0.447 85 E N -0.375 119.837 120.200 0.020 0.000 2.017 85 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 85 E C 2.498 179.106 176.600 0.014 0.000 0.997 85 E CA 1.204 57.614 56.400 0.017 0.000 0.804 85 E CB -0.700 29.007 29.700 0.011 0.000 0.757 85 E HN 0.537 nan 8.360 nan 0.000 0.448 86 A N 0.959 123.784 122.820 0.009 0.000 1.915 86 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 86 A C 2.180 179.766 177.584 0.002 0.000 1.198 86 A CA 1.938 53.978 52.037 0.005 0.000 0.647 86 A CB -0.573 18.428 19.000 0.002 0.000 0.825 86 A HN 0.177 nan 8.150 nan 0.000 0.456 87 L N -2.090 119.133 121.223 0.000 0.000 2.513 87 L HA 0.343 4.683 4.340 -0.000 0.000 0.222 87 L C 1.578 178.453 176.870 0.008 0.000 1.096 87 L CA 1.094 55.929 54.840 -0.007 0.000 0.857 87 L CB -0.255 41.783 42.059 -0.035 0.000 1.026 87 L HN 0.684 nan 8.230 nan 0.000 0.469 88 G N 0.544 109.358 108.800 0.023 0.000 2.203 88 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.231 88 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.231 88 G C 0.052 174.990 174.900 0.063 0.000 1.058 88 G CA 0.137 45.261 45.100 0.039 0.000 0.781 88 G HN 0.339 nan 8.290 nan 0.000 0.496 89 V N -2.254 117.707 119.914 0.078 0.000 3.019 89 V HA 1.035 5.155 4.120 -0.000 0.000 0.317 89 V C 1.033 177.207 176.094 0.133 0.000 1.094 89 V CA -0.214 62.167 62.300 0.135 0.000 1.000 89 V CB 1.657 33.607 31.823 0.212 0.000 1.060 89 V HN 1.262 nan 8.190 nan 0.000 0.443 94 G N -0.285 108.474 108.800 -0.068 0.000 2.667 94 G HA2 0.330 4.289 3.960 -0.000 0.000 0.250 94 G HA3 0.330 4.289 3.960 -0.000 0.000 0.250 94 G C 0.010 174.866 174.900 -0.074 0.000 1.212 94 G CA 0.017 45.070 45.100 -0.077 0.000 0.874 94 G HN 0.633 nan 8.290 nan 0.000 0.561 95 S N -0.546 115.113 115.700 -0.068 0.000 2.670 95 S HA 0.159 4.628 4.470 -0.000 0.000 0.308 95 S C 1.624 176.180 174.600 -0.074 0.000 1.232 95 S CA 0.242 58.419 58.200 -0.038 0.000 1.126 95 S CB -0.109 63.099 63.200 0.013 0.000 0.897 95 S HN 0.956 nan 8.310 nan 0.000 0.508 96 G N 5.054 113.794 108.800 -0.099 0.000 3.061 96 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.208 96 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.208 96 G C 1.488 176.318 174.900 -0.117 0.000 1.175 96 G CA -0.330 44.708 45.100 -0.102 0.000 0.812 96 G HN 0.643 nan 8.290 nan 0.000 0.523 97 R N 0.466 120.886 120.500 -0.134 0.000 2.133 97 R HA -0.131 4.208 4.340 -0.000 0.000 0.247 97 R C 2.069 178.303 176.300 -0.110 0.000 1.151 97 R CA 1.151 57.141 56.100 -0.184 0.000 0.971 97 R CB -0.353 29.856 30.300 -0.152 0.000 0.866 97 R HN 0.440 nan 8.270 nan 0.000 0.447 98 I N 0.521 121.052 120.570 -0.065 0.000 2.830 98 I HA -0.187 3.982 4.170 -0.000 0.000 0.263 98 I C 2.075 178.185 176.117 -0.012 0.000 1.230 98 I CA 0.450 61.733 61.300 -0.027 0.000 1.480 98 I CB -0.327 37.656 38.000 -0.028 0.000 1.095 98 I HN 0.075 nan 8.210 nan 0.000 0.455 99 L N -0.237 120.970 121.223 -0.028 0.000 2.179 99 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 99 L C 1.967 178.847 176.870 0.018 0.000 1.096 99 L CA 1.562 56.394 54.840 -0.013 0.000 0.779 99 L CB -0.286 41.753 42.059 -0.034 0.000 0.922 99 L HN 0.164 nan 8.230 nan 0.000 0.443 100 L N -1.094 120.151 121.223 0.036 0.000 2.610 100 L HA -0.024 4.316 4.340 -0.000 0.000 0.232 100 L C 1.552 178.532 176.870 0.183 0.000 1.149 100 L CA 0.445 55.369 54.840 0.141 0.000 0.872 100 L CB -0.236 41.971 42.059 0.247 0.000 0.992 100 L HN 0.346 nan 8.230 nan 0.000 0.447 101 E N -0.172 120.097 120.200 0.116 0.000 2.465 101 E HA 0.160 4.510 4.350 -0.000 0.000 0.209 101 E C 0.321 176.951 176.600 0.049 0.000 0.951 101 E CA 0.008 56.466 56.400 0.096 0.000 0.997 101 E CB 0.732 30.489 29.700 0.095 0.000 1.025 101 E HN 0.258 nan 8.360 nan 0.000 0.500 102 R N 1.751 122.273 120.500 0.035 0.000 2.684 102 R HA 0.250 4.590 4.340 -0.000 0.000 0.252 102 R C -2.581 173.727 176.300 0.014 0.000 1.628 102 R CA -1.087 55.025 56.100 0.020 0.000 1.622 102 R CB 0.977 31.285 30.300 0.013 0.000 1.418 102 R HN 0.015 nan 8.270 nan 0.000 0.697 112 R N 2.291 122.782 120.500 -0.016 0.000 2.170 112 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 112 R C 2.059 178.354 176.300 -0.008 0.000 1.145 112 R CA 2.388 58.481 56.100 -0.013 0.000 0.984 112 R CB -0.504 29.788 30.300 -0.015 0.000 0.869 112 R HN 0.797 nan 8.270 nan 0.000 0.455 113 K N -1.090 119.305 120.400 -0.008 0.000 2.113 113 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 113 K C 1.556 178.153 176.600 -0.004 0.000 1.047 113 K CA 1.891 58.174 56.287 -0.005 0.000 0.928 113 K CB -0.332 32.165 32.500 -0.006 0.000 0.716 113 K HN 0.069 nan 8.250 nan 0.000 0.446 114 V N 0.360 120.272 119.914 -0.004 0.000 2.992 114 V HA 0.136 4.256 4.120 -0.000 0.000 0.250 114 V C 1.197 177.291 176.094 -0.000 0.000 1.090 114 V CA 0.772 63.070 62.300 -0.002 0.000 1.101 114 V CB 0.233 32.054 31.823 -0.003 0.000 0.743 114 V HN 0.420 nan 8.190 nan 0.000 0.468 115 A N 1.498 124.317 122.820 -0.001 0.000 3.047 115 A HA 0.544 4.864 4.320 -0.000 0.000 0.337 115 A C -1.143 176.442 177.584 0.001 0.000 1.143 115 A CA -1.161 50.877 52.037 0.001 0.000 0.905 115 A CB 0.304 19.304 19.000 0.001 0.000 1.088 115 A HN 0.263 nan 8.150 nan 0.000 0.488 116 P HA -0.185 nan 4.420 nan 0.000 0.214 116 P C 0.861 178.164 177.300 0.004 0.000 1.162 116 P CA 1.480 64.581 63.100 0.002 0.000 0.879 116 P CB 0.313 32.015 31.700 0.003 0.000 0.786 117 K N -0.061 120.344 120.400 0.008 0.000 2.128 117 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 117 K C 1.481 178.091 176.600 0.016 0.000 1.050 117 K CA 0.307 56.601 56.287 0.012 0.000 0.966 117 K CB -1.176 31.333 32.500 0.014 0.000 0.759 117 K HN 0.069 nan 8.250 nan 0.000 0.454 118 A N 2.826 125.658 122.820 0.019 0.000 2.616 118 A HA -0.042 4.278 4.320 -0.000 0.000 0.234 118 A C 0.255 177.855 177.584 0.026 0.000 1.024 118 A CA -0.109 51.944 52.037 0.027 0.000 0.758 118 A CB -0.402 18.613 19.000 0.026 0.000 0.939 118 A HN 0.332 nan 8.150 nan 0.000 0.510 119 L N 3.902 125.151 121.223 0.043 0.000 2.462 119 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 119 L C -0.453 176.436 176.870 0.032 0.000 1.166 119 L CA 0.707 55.572 54.840 0.042 0.000 0.880 119 L CB -0.143 41.967 42.059 0.085 0.000 1.142 119 L HN 0.498 nan 8.230 nan 0.000 0.473 120 L N 6.852 128.075 121.223 0.000 0.000 2.372 120 L HA 0.425 4.765 4.340 -0.000 0.000 0.274 120 L C -0.823 176.017 176.870 -0.049 0.000 0.988 120 L CA -0.798 54.031 54.840 -0.018 0.000 0.833 120 L CB 1.545 43.584 42.059 -0.033 0.000 1.236 120 L HN 0.477 nan 8.230 nan 0.000 0.410 121 I N 2.952 123.499 120.570 -0.039 0.000 2.312 121 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 121 I C 0.905 176.952 176.117 -0.117 0.000 1.031 121 I CA 0.290 61.545 61.300 -0.075 0.000 1.293 121 I CB 1.466 39.453 38.000 -0.022 0.000 1.403 121 I HN 0.628 nan 8.210 nan 0.000 0.484 122 A N 5.873 128.580 122.820 -0.188 0.000 2.366 122 A HA 0.434 4.754 4.320 -0.000 0.000 0.249 122 A C 0.124 177.578 177.584 -0.217 0.000 1.084 122 A CA -0.279 51.632 52.037 -0.209 0.000 0.794 122 A CB 0.265 19.093 19.000 -0.286 0.000 1.034 122 A HN 0.732 nan 8.150 nan 0.000 0.491 123 N N 0.864 119.453 118.700 -0.184 0.000 2.238 123 N HA 0.470 5.210 4.740 -0.000 0.000 0.302 123 N C -0.467 174.940 175.510 -0.172 0.000 1.072 123 N CA -0.522 52.437 53.050 -0.153 0.000 0.792 123 N CB 1.825 40.275 38.487 -0.061 0.000 1.425 123 N HN 0.509 nan 8.380 nan 0.000 0.478 124 L N 1.551 122.651 121.223 -0.206 0.000 2.567 124 L HA 0.357 4.697 4.340 -0.000 0.000 0.228 124 L C 0.065 176.793 176.870 -0.236 0.000 1.046 124 L CA 1.129 55.845 54.840 -0.207 0.000 1.013 124 L CB -0.396 41.494 42.059 -0.282 0.000 1.944 124 L HN 0.840 nan 8.230 nan 0.000 0.510 125 G N 1.527 110.134 108.800 -0.321 0.000 3.409 125 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 125 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 125 G C 0.256 175.067 174.900 -0.148 0.000 1.017 125 G CA 0.075 44.722 45.100 -0.753 0.000 0.854 125 G HN 0.187 nan 8.290 nan 0.000 0.508 126 L N 2.603 123.798 121.223 -0.046 0.000 2.011 126 L HA -0.136 4.204 4.340 -0.000 0.000 0.225 126 L C 3.283 180.058 176.870 -0.158 0.000 1.084 126 L CA 3.858 58.627 54.840 -0.117 0.000 0.791 126 L CB -0.702 41.323 42.059 -0.058 0.000 0.898 126 L HN 1.623 nan 8.230 nan 0.000 0.440 127 A N -1.821 120.883 122.820 -0.194 0.000 2.204 127 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 127 A C 2.022 179.505 177.584 -0.170 0.000 1.165 127 A CA 1.710 53.569 52.037 -0.297 0.000 0.671 127 A CB -0.465 18.252 19.000 -0.472 0.000 0.792 127 A HN 0.634 nan 8.150 nan 0.000 0.473 128 Q N -0.677 119.055 119.800 -0.113 0.000 2.331 128 Q HA 0.125 4.465 4.340 -0.000 0.000 0.203 128 Q C 1.745 177.785 176.000 0.067 0.000 0.944 128 Q CA 0.544 56.323 55.803 -0.039 0.000 0.892 128 Q CB -0.341 28.297 28.738 -0.166 0.000 0.983 128 Q HN 0.751 nan 8.270 nan 0.000 0.482 129 L N 0.560 121.775 121.223 -0.014 0.000 2.642 129 L HA -0.052 4.288 4.340 -0.000 0.000 0.236 129 L C 2.224 179.097 176.870 0.005 0.000 1.169 129 L CA 0.547 55.383 54.840 -0.006 0.000 0.851 129 L CB -0.249 41.717 42.059 -0.154 0.000 0.968 129 L HN 0.106 nan 8.230 nan 0.000 0.453 130 R N 0.584 121.084 120.500 0.001 0.000 2.297 130 R HA 0.030 4.370 4.340 -0.000 0.000 0.197 130 R C 1.308 177.618 176.300 0.018 0.000 0.943 130 R CA 0.424 56.515 56.100 -0.015 0.000 1.038 130 R CB 0.273 30.540 30.300 -0.054 0.000 0.957 130 R HN 0.290 nan 8.270 nan 0.000 0.484 131 R N -1.739 118.820 120.500 0.099 0.000 2.526 131 R HA 0.196 4.536 4.340 -0.000 0.000 0.346 131 R C -1.009 175.236 176.300 -0.091 0.000 0.926 131 R CA -0.121 55.999 56.100 0.033 0.000 1.147 131 R CB 0.885 31.230 30.300 0.075 0.000 1.629 131 R HN 0.017 nan 8.270 nan 0.000 0.516 132 Y N -0.710 119.586 120.300 -0.008 0.000 2.553 132 Y HA 0.712 5.262 4.550 0.000 0.000 0.347 132 Y C 0.503 176.415 175.900 0.021 0.000 1.019 132 Y CA -1.240 56.868 58.100 0.013 0.000 1.032 132 Y CB 2.624 41.103 38.460 0.032 0.000 1.284 132 Y HN -0.019 nan 8.280 nan 0.000 0.466 133 G N 0.593 109.492 108.800 0.164 0.000 2.725 133 G HA2 0.432 4.392 3.960 -0.000 0.000 0.288 133 G HA3 0.432 4.392 3.960 -0.000 0.000 0.288 133 G C -0.129 174.842 174.900 0.117 0.000 1.399 133 G CA -0.901 44.264 45.100 0.109 0.000 0.859 133 G HN 0.611 nan 8.290 nan 0.000 0.479 134 R N -0.183 120.371 120.500 0.090 0.000 2.398 134 R HA -0.289 4.051 4.340 -0.000 0.000 0.233 134 R C 1.685 178.046 176.300 0.102 0.000 1.022 134 R CA 3.129 59.279 56.100 0.083 0.000 0.855 134 R CB -0.799 29.524 30.300 0.039 0.000 0.962 134 R HN 0.609 nan 8.270 nan 0.000 0.416 135 D N -0.272 120.177 120.400 0.082 0.000 2.075 135 D HA -0.133 4.506 4.640 -0.000 0.000 0.196 135 D C 1.540 177.907 176.300 0.112 0.000 0.985 135 D CA 1.646 55.695 54.000 0.082 0.000 0.834 135 D CB -0.610 40.222 40.800 0.053 0.000 0.987 135 D HN 0.430 nan 8.370 nan 0.000 0.452 136 D N 0.706 121.180 120.400 0.124 0.000 2.170 136 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 136 D C 2.274 178.667 176.300 0.156 0.000 1.004 136 D CA 0.760 54.859 54.000 0.164 0.000 0.860 136 D CB -0.236 40.727 40.800 0.271 0.000 0.931 136 D HN 0.123 nan 8.370 nan 0.000 0.448 137 L N 0.712 122.045 121.223 0.184 0.000 1.970 137 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 137 L C 2.724 179.704 176.870 0.183 0.000 1.071 137 L CA 1.242 56.196 54.840 0.191 0.000 0.751 137 L CB -1.013 41.242 42.059 0.326 0.000 0.889 137 L HN 0.062 nan 8.230 nan 0.000 0.432 138 L N -1.177 120.207 121.223 0.269 0.000 2.081 138 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 138 L C 2.707 179.655 176.870 0.130 0.000 1.080 138 L CA 1.325 56.339 54.840 0.289 0.000 0.754 138 L CB -0.638 41.544 42.059 0.204 0.000 0.893 138 L HN 0.247 nan 8.230 nan 0.000 0.433 139 R N -0.450 120.103 120.500 0.089 0.000 2.075 139 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 139 R C 2.244 178.548 176.300 0.006 0.000 1.126 139 R CA 1.227 57.355 56.100 0.048 0.000 0.963 139 R CB -0.501 29.833 30.300 0.056 0.000 0.858 139 R HN 0.183 nan 8.270 nan 0.000 0.435 140 L N 0.703 121.916 121.223 -0.016 0.000 1.976 140 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 140 L C 2.098 178.885 176.870 -0.139 0.000 1.071 140 L CA 1.626 56.419 54.840 -0.078 0.000 0.746 140 L CB -0.445 41.547 42.059 -0.111 0.000 0.890 140 L HN -0.094 nan 8.230 nan 0.000 0.432 141 V N -0.422 119.356 119.914 -0.228 0.000 2.469 141 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 141 V C 1.611 177.610 176.094 -0.158 0.000 1.064 141 V CA 1.307 63.409 62.300 -0.330 0.000 1.066 141 V CB -0.887 30.517 31.823 -0.697 0.000 0.667 141 V HN 0.510 nan 8.190 nan 0.000 0.461 145 E N 0.478 120.641 120.200 -0.061 0.000 2.442 145 E HA -0.157 4.193 4.350 -0.000 0.000 0.256 145 E C 0.224 176.788 176.600 -0.061 0.000 1.095 145 E CA 0.438 56.810 56.400 -0.047 0.000 0.747 145 E CB -1.148 28.534 29.700 -0.029 0.000 1.310 145 E HN 0.500 nan 8.360 nan 0.000 0.396 146 A N 0.474 123.234 122.820 -0.101 0.000 2.304 146 A HA 0.281 4.601 4.320 -0.000 0.000 0.271 146 A C 0.846 178.363 177.584 -0.112 0.000 1.091 146 A CA -0.274 51.690 52.037 -0.122 0.000 0.812 146 A CB 0.489 19.374 19.000 -0.192 0.000 1.056 146 A HN 0.216 nan 8.150 nan 0.000 0.489 147 D N -0.031 120.315 120.400 -0.091 0.000 2.349 147 D HA 0.398 5.037 4.640 -0.000 0.000 0.214 147 D C 0.469 176.728 176.300 -0.068 0.000 1.063 147 D CA 1.375 55.340 54.000 -0.058 0.000 0.847 147 D CB 0.483 41.259 40.800 -0.039 0.000 0.933 147 D HN 0.721 nan 8.370 nan 0.000 0.513 148 A N 0.349 123.079 122.820 -0.151 0.000 2.483 148 A HA 0.520 4.840 4.320 -0.000 0.000 0.294 148 A C -2.248 175.140 177.584 -0.326 0.000 1.077 148 A CA -0.643 51.300 52.037 -0.157 0.000 0.633 148 A CB 1.265 20.207 19.000 -0.096 0.000 1.318 148 A HN 0.039 nan 8.150 nan 0.000 0.455 149 L N 0.110 121.163 121.223 -0.284 0.000 2.431 149 L HA 0.852 5.192 4.340 -0.000 0.000 0.266 149 L C -0.668 176.014 176.870 -0.313 0.000 0.978 149 L CA -0.128 54.470 54.840 -0.404 0.000 0.822 149 L CB 1.480 43.177 42.059 -0.603 0.000 1.310 149 L HN 1.589 nan 8.230 nan 0.000 0.409 150 A N 4.618 127.232 122.820 -0.344 0.000 2.330 150 A HA 0.752 5.072 4.320 -0.000 0.000 0.313 150 A C -1.478 175.924 177.584 -0.303 0.000 1.124 150 A CA -0.401 51.506 52.037 -0.215 0.000 0.774 150 A CB 0.739 19.700 19.000 -0.065 0.000 1.198 150 A HN 0.564 nan 8.150 nan 0.000 0.465 151 F N 3.315 123.264 119.950 -0.003 0.000 2.420 151 F HA 0.404 4.930 4.527 -0.000 0.000 0.342 151 F C 1.074 176.863 175.800 -0.018 0.000 1.113 151 F CA -0.127 57.834 58.000 -0.064 0.000 1.059 151 F CB 1.443 40.410 39.000 -0.053 0.000 1.128 151 F HN 0.683 nan 8.300 nan 0.000 0.475 152 H N 1.704 120.878 119.070 0.172 0.000 2.469 152 H HA 0.690 5.246 4.556 -0.000 0.000 0.342 152 H C -1.430 173.978 175.328 0.134 0.000 1.115 152 H CA -1.013 55.096 56.048 0.101 0.000 1.204 152 H CB 1.635 31.404 29.762 0.012 0.000 1.492 152 H HN 0.547 nan 8.280 nan 0.000 0.499 153 V N 3.752 123.819 119.914 0.255 0.000 2.630 153 V HA 0.332 4.452 4.120 -0.000 0.000 0.305 153 V C -0.650 175.556 176.094 0.186 0.000 1.046 153 V CA -0.608 61.839 62.300 0.245 0.000 0.934 153 V CB 1.493 33.406 31.823 0.149 0.000 1.003 153 V HN 1.067 nan 8.190 nan 0.000 0.451 154 N N 5.145 123.917 118.700 0.121 0.000 2.820 154 N HA 0.158 4.898 4.740 -0.000 0.000 0.209 154 N C -2.525 172.866 175.510 -0.199 0.000 1.406 154 N CA -0.583 52.464 53.050 -0.004 0.000 0.916 154 N CB 0.880 39.430 38.487 0.106 0.000 1.532 154 N HN 0.410 nan 8.380 nan 0.000 0.559 155 P HA -0.164 nan 4.420 nan 0.000 0.215 155 P C 1.624 178.765 177.300 -0.265 0.000 1.153 155 P CA 0.443 63.063 63.100 -0.800 0.000 0.853 155 P CB 0.824 31.963 31.700 -0.934 0.000 0.788 156 L N -0.138 120.939 121.223 -0.243 0.000 2.046 156 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 156 L C 2.829 179.611 176.870 -0.147 0.000 1.077 156 L CA 1.951 56.669 54.840 -0.204 0.000 0.747 156 L CB -0.898 40.966 42.059 -0.325 0.000 0.896 156 L HN 0.052 nan 8.230 nan 0.000 0.432 157 Q N -0.348 119.370 119.800 -0.137 0.000 2.030 157 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 157 Q C 1.893 177.953 176.000 0.100 0.000 0.986 157 Q CA 1.823 57.645 55.803 0.031 0.000 0.843 157 Q CB 0.026 28.833 28.738 0.114 0.000 0.904 157 Q HN 0.417 nan 8.270 nan 0.000 0.420 158 E N 0.207 120.483 120.200 0.125 0.000 2.160 158 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 158 E C 1.779 178.461 176.600 0.136 0.000 0.991 158 E CA 1.039 57.547 56.400 0.180 0.000 0.810 158 E CB -0.252 29.646 29.700 0.329 0.000 0.742 158 E HN 0.501 nan 8.360 nan 0.000 0.466 159 A N 0.946 123.819 122.820 0.088 0.000 1.841 159 A HA -0.130 4.189 4.320 -0.000 0.000 0.214 159 A C 2.624 180.247 177.584 0.064 0.000 1.195 159 A CA 1.544 53.620 52.037 0.065 0.000 0.611 159 A CB -0.784 18.229 19.000 0.022 0.000 0.835 159 A HN 0.136 nan 8.150 nan 0.000 0.443 160 V N 0.460 120.412 119.914 0.063 0.000 2.392 160 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 160 V C 2.740 178.896 176.094 0.104 0.000 1.059 160 V CA 2.349 64.702 62.300 0.088 0.000 1.051 160 V CB -0.926 30.960 31.823 0.104 0.000 0.658 160 V HN 0.790 nan 8.190 nan 0.000 0.455 161 Q N 0.359 120.228 119.800 0.116 0.000 2.167 161 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 161 Q C 0.684 176.738 176.000 0.089 0.000 0.970 161 Q CA 1.111 56.986 55.803 0.121 0.000 0.855 161 Q CB 0.129 28.971 28.738 0.173 0.000 0.911 161 Q HN 0.638 nan 8.270 nan 0.000 0.438 162 R N -0.992 119.560 120.500 0.087 0.000 3.390 162 R HA -0.127 4.213 4.340 -0.000 0.000 0.280 162 R C 0.100 176.441 176.300 0.069 0.000 1.126 162 R CA 0.074 56.216 56.100 0.069 0.000 0.757 162 R CB -2.287 28.044 30.300 0.051 0.000 1.296 162 R HN 0.468 nan 8.270 nan 0.000 0.431 163 G N 0.036 108.889 108.800 0.087 0.000 2.782 163 G HA2 0.257 4.216 3.960 -0.000 0.000 0.201 163 G HA3 0.257 4.216 3.960 -0.000 0.000 0.201 163 G C -0.606 174.332 174.900 0.063 0.000 1.374 163 G CA -0.290 44.854 45.100 0.074 0.000 1.039 163 G HN 0.169 nan 8.290 nan 0.000 0.576 164 D N -0.281 120.139 120.400 0.034 0.000 2.426 164 D HA 0.122 4.762 4.640 -0.000 0.000 0.261 164 D C 0.789 177.101 176.300 0.019 0.000 1.245 164 D CA 0.369 54.358 54.000 -0.019 0.000 0.917 164 D CB 0.799 41.540 40.800 -0.097 0.000 1.123 164 D HN 0.138 nan 8.370 nan 0.000 0.508 165 T N 2.657 117.247 114.554 0.060 0.000 3.145 165 T HA 0.029 4.379 4.350 -0.000 0.000 0.255 165 T C -0.310 174.503 174.700 0.189 0.000 1.039 165 T CA -0.449 61.760 62.100 0.181 0.000 0.928 165 T CB -0.112 68.835 68.868 0.133 0.000 1.029 165 T HN 0.299 nan 8.240 nan 0.000 0.554 166 D N 0.276 120.670 120.400 -0.009 0.000 2.392 166 D HA 0.274 4.914 4.640 -0.000 0.000 0.228 166 D C -0.362 175.815 176.300 -0.204 0.000 1.074 166 D CA -0.667 53.321 54.000 -0.020 0.000 0.838 166 D CB 0.285 41.055 40.800 -0.051 0.000 1.067 166 D HN 0.179 nan 8.370 nan 0.000 0.511 167 F N 2.116 122.065 119.950 -0.003 0.000 2.772 167 F HA 0.325 4.852 4.527 0.000 0.000 0.302 167 F C 1.080 176.872 175.800 -0.014 0.000 1.136 167 F CA -0.678 57.316 58.000 -0.009 0.000 1.322 167 F CB 0.331 39.329 39.000 -0.004 0.000 0.967 167 F HN 0.017 nan 8.300 nan 0.000 0.513 168 R N 0.065 120.615 120.500 0.083 0.000 2.491 168 R HA 0.319 4.659 4.340 -0.000 0.000 0.283 168 R C 1.335 177.645 176.300 0.017 0.000 1.072 168 R CA 0.609 56.739 56.100 0.050 0.000 1.048 168 R CB 0.382 30.699 30.300 0.029 0.000 0.983 168 R HN 0.411 nan 8.270 nan 0.000 0.450 169 G N 2.583 111.394 108.800 0.018 0.000 2.361 169 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.294 169 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.294 169 G C 0.447 175.335 174.900 -0.021 0.000 1.004 169 G CA 0.233 45.332 45.100 -0.002 0.000 0.870 169 G HN 0.470 nan 8.290 nan 0.000 0.510 170 L N -0.570 120.645 121.223 -0.012 0.000 2.179 170 L HA 0.086 4.425 4.340 -0.000 0.000 0.208 170 L C 2.907 179.736 176.870 -0.068 0.000 1.096 170 L CA 1.444 56.253 54.840 -0.051 0.000 0.779 170 L CB -0.225 41.814 42.059 -0.032 0.000 0.922 170 L HN 0.230 nan 8.230 nan 0.000 0.443 171 V N 0.144 120.040 119.914 -0.029 0.000 2.343 171 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 171 V C 2.511 178.577 176.094 -0.047 0.000 1.051 171 V CA 1.757 64.036 62.300 -0.035 0.000 1.036 171 V CB -0.770 31.049 31.823 -0.005 0.000 0.654 171 V HN 0.539 nan 8.190 nan 0.000 0.451 172 E N 1.099 121.277 120.200 -0.037 0.000 2.076 172 E HA -0.226 4.124 4.350 -0.000 0.000 0.190 172 E C 2.223 178.792 176.600 -0.051 0.000 0.979 172 E CA 0.952 57.331 56.400 -0.035 0.000 0.807 172 E CB -0.574 29.113 29.700 -0.023 0.000 0.761 172 E HN 0.528 nan 8.360 nan 0.000 0.454 173 R N 0.506 120.969 120.500 -0.062 0.000 2.170 173 R HA -0.145 4.195 4.340 -0.000 0.000 0.242 173 R C 2.357 178.597 176.300 -0.100 0.000 1.145 173 R CA 1.151 57.208 56.100 -0.073 0.000 0.984 173 R CB -0.175 30.076 30.300 -0.081 0.000 0.869 173 R HN 0.224 nan 8.270 nan 0.000 0.455 174 L N -0.317 120.825 121.223 -0.136 0.000 2.084 174 L HA 0.159 4.498 4.340 -0.000 0.000 0.202 174 L C 2.219 179.038 176.870 -0.085 0.000 1.074 174 L CA 1.871 56.607 54.840 -0.172 0.000 0.757 174 L CB -0.734 41.172 42.059 -0.256 0.000 0.918 174 L HN 0.140 nan 8.230 nan 0.000 0.444 175 A N 0.391 123.174 122.820 -0.062 0.000 1.915 175 A HA -0.344 3.976 4.320 -0.000 0.000 0.220 175 A C 2.130 179.698 177.584 -0.027 0.000 1.198 175 A CA 2.556 54.574 52.037 -0.032 0.000 0.647 175 A CB -1.015 17.971 19.000 -0.025 0.000 0.825 175 A HN 0.761 nan 8.150 nan 0.000 0.456 176 E N 0.242 120.423 120.200 -0.031 0.000 2.005 176 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 176 E C 1.643 178.229 176.600 -0.024 0.000 0.987 176 E CA 1.311 57.696 56.400 -0.025 0.000 0.814 176 E CB -0.851 28.834 29.700 -0.024 0.000 0.772 176 E HN 0.735 nan 8.360 nan 0.000 0.453 177 L N 0.577 121.785 121.223 -0.026 0.000 2.821 177 L HA 0.090 4.430 4.340 -0.000 0.000 0.254 177 L C 1.556 178.417 176.870 -0.015 0.000 1.151 177 L CA 0.451 55.280 54.840 -0.018 0.000 0.937 177 L CB -0.281 41.773 42.059 -0.009 0.000 1.141 177 L HN 0.148 nan 8.230 nan 0.000 0.425 178 L N 1.149 122.361 121.223 -0.018 0.000 1.848 178 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 178 L C -0.943 175.908 176.870 -0.032 0.000 1.106 178 L CA 0.648 55.484 54.840 -0.008 0.000 0.906 178 L CB -1.743 40.314 42.059 -0.003 0.000 0.914 178 L HN 0.311 nan 8.230 nan 0.000 0.476 179 P HA -0.175 nan 4.420 nan 0.000 0.035 179 P C -0.947 176.284 177.300 -0.116 0.000 0.507 179 P CA 0.676 63.739 63.100 -0.062 0.000 1.047 179 P CB -0.560 31.111 31.700 -0.048 0.000 1.842 180 L N 4.592 125.707 121.223 -0.181 0.000 2.375 180 L HA 0.386 4.726 4.340 -0.000 0.000 0.268 180 L C -0.657 175.925 176.870 -0.481 0.000 1.058 180 L CA -1.936 52.669 54.840 -0.392 0.000 0.803 180 L CB 0.224 41.938 42.059 -0.574 0.000 1.212 180 L HN 0.081 nan 8.230 nan 0.000 0.451 181 P HA -0.132 nan 4.420 nan 0.000 0.219 181 P C -0.417 176.719 177.300 -0.274 0.000 1.146 181 P CA 1.283 64.155 63.100 -0.380 0.000 0.808 181 P CB -0.068 31.467 31.700 -0.276 0.000 0.779 182 F N -0.564 119.377 119.950 -0.016 0.000 2.561 182 F HA 0.744 5.270 4.527 -0.000 0.000 0.321 182 F C -2.763 173.015 175.800 -0.037 0.000 1.065 182 F CA -4.411 53.569 58.000 -0.033 0.000 0.934 182 F CB -0.650 38.325 39.000 -0.042 0.000 1.215 182 F HN -0.340 nan 8.300 nan 0.000 0.471 183 P HA 0.176 nan 4.420 nan 0.000 0.268 183 P C -0.647 176.749 177.300 0.161 0.000 1.205 183 P CA 0.073 63.230 63.100 0.094 0.000 0.771 183 P CB 1.816 33.503 31.700 -0.021 0.000 0.858 187 K N 1.486 121.970 120.400 0.140 0.000 2.533 187 K HA 0.909 5.229 4.320 -0.000 0.000 0.272 187 K C -0.918 175.759 176.600 0.129 0.000 0.985 187 K CA -0.875 55.480 56.287 0.114 0.000 0.876 187 K CB 3.193 35.750 32.500 0.094 0.000 1.452 187 K HN 0.597 nan 8.250 nan 0.000 0.439 188 E N 0.110 120.369 120.200 0.099 0.000 2.446 188 E HA 0.325 4.675 4.350 -0.000 0.000 0.251 188 E C -0.318 176.322 176.600 0.066 0.000 1.087 188 E CA -0.647 55.814 56.400 0.101 0.000 0.937 188 E CB 1.706 31.467 29.700 0.102 0.000 1.254 188 E HN 0.508 nan 8.360 nan 0.000 0.479 189 V N -1.180 118.774 119.914 0.068 0.000 3.006 189 V HA 0.639 4.759 4.120 -0.000 0.000 0.357 189 V C 0.712 176.927 176.094 0.201 0.000 1.377 189 V CA 0.266 62.558 62.300 -0.013 0.000 1.198 189 V CB -0.194 31.465 31.823 -0.273 0.000 1.216 189 V HN 0.908 nan 8.190 nan 0.000 0.520 190 G N 0.599 109.538 108.800 0.232 0.000 2.205 190 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.180 190 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.180 190 G C 0.216 175.224 174.900 0.180 0.000 1.004 190 G CA 0.294 45.549 45.100 0.259 0.000 0.670 190 G HN 0.643 nan 8.290 nan 0.000 0.496 191 H N 0.260 119.457 119.070 0.212 0.000 2.705 191 H HA 0.499 5.055 4.556 -0.000 0.000 0.269 191 H C 1.469 176.854 175.328 0.096 0.000 0.998 191 H CA 1.279 57.447 56.048 0.200 0.000 1.193 191 H CB 0.964 30.834 29.762 0.179 0.000 1.485 191 H HN 1.388 nan 8.280 nan 0.000 0.521 192 G N 0.487 109.378 108.800 0.152 0.000 2.733 192 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 192 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 192 G C -0.899 174.043 174.900 0.070 0.000 1.373 192 G CA -0.667 44.482 45.100 0.081 0.000 0.838 192 G HN 0.203 nan 8.290 nan 0.000 0.588 193 L N 1.753 123.004 121.223 0.047 0.000 2.287 193 L HA 0.580 4.919 4.340 -0.000 0.000 0.287 193 L C 1.278 178.164 176.870 0.027 0.000 1.022 193 L CA -0.408 54.455 54.840 0.038 0.000 0.814 193 L CB 1.646 43.729 42.059 0.040 0.000 1.217 193 L HN 0.987 nan 8.230 nan 0.000 0.420 194 S N 2.953 118.667 115.700 0.023 0.000 2.641 194 S HA 0.210 4.680 4.470 -0.000 0.000 0.261 194 S C 1.187 175.796 174.600 0.015 0.000 1.257 194 S CA -0.421 57.790 58.200 0.018 0.000 0.983 194 S CB 0.979 64.189 63.200 0.016 0.000 0.990 194 S HN 0.813 nan 8.310 nan 0.000 0.572 195 R N 0.805 121.313 120.500 0.012 0.000 2.092 195 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 195 R C 1.624 177.931 176.300 0.012 0.000 1.119 195 R CA 1.559 57.665 56.100 0.011 0.000 0.970 195 R CB -0.681 29.624 30.300 0.009 0.000 0.864 195 R HN 0.796 nan 8.270 nan 0.000 0.440 196 E N 1.473 121.680 120.200 0.012 0.000 2.150 196 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 196 E C 2.037 178.645 176.600 0.013 0.000 0.985 196 E CA 1.276 57.682 56.400 0.011 0.000 0.814 196 E CB -0.382 29.324 29.700 0.010 0.000 0.752 196 E HN 0.517 nan 8.360 nan 0.000 0.466 197 A N 2.009 124.838 122.820 0.014 0.000 1.933 197 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 197 A C 2.499 180.096 177.584 0.022 0.000 1.175 197 A CA 2.053 54.101 52.037 0.017 0.000 0.628 197 A CB -0.612 18.399 19.000 0.019 0.000 0.814 197 A HN 0.341 nan 8.150 nan 0.000 0.444 198 A N -0.463 122.369 122.820 0.021 0.000 1.969 198 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 198 A C 2.110 179.707 177.584 0.021 0.000 1.169 198 A CA 1.245 53.296 52.037 0.023 0.000 0.635 198 A CB -0.481 18.530 19.000 0.019 0.000 0.810 198 A HN 0.470 nan 8.150 nan 0.000 0.445 199 L N -0.857 120.377 121.223 0.017 0.000 2.056 199 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 199 L C 2.925 179.806 176.870 0.017 0.000 1.078 199 L CA 1.003 55.852 54.840 0.016 0.000 0.749 199 L CB -0.453 41.614 42.059 0.013 0.000 0.901 199 L HN 0.407 nan 8.230 nan 0.000 0.433 200 A N -0.616 122.214 122.820 0.017 0.000 2.216 200 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 200 A C 2.053 179.648 177.584 0.018 0.000 1.160 200 A CA 1.087 53.134 52.037 0.016 0.000 0.725 200 A CB -0.344 18.666 19.000 0.016 0.000 0.784 200 A HN 0.436 nan 8.150 nan 0.000 0.472 201 L N -2.368 118.869 121.223 0.023 0.000 2.672 201 L HA 0.167 4.507 4.340 -0.000 0.000 0.236 201 L C 2.271 179.159 176.870 0.029 0.000 1.092 201 L CA 0.121 54.978 54.840 0.028 0.000 0.887 201 L CB -0.203 41.879 42.059 0.038 0.000 1.168 201 L HN 0.391 nan 8.230 nan 0.000 0.502 202 R N 0.845 121.361 120.500 0.027 0.000 2.185 202 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 202 R C 1.266 177.583 176.300 0.027 0.000 1.159 202 R CA 1.912 58.029 56.100 0.028 0.000 0.988 202 R CB 0.071 30.386 30.300 0.025 0.000 0.871 202 R HN 0.308 nan 8.270 nan 0.000 0.458 203 D N -0.252 120.160 120.400 0.021 0.000 2.240 203 D HA 0.004 4.644 4.640 -0.000 0.000 0.206 203 D C 0.035 176.345 176.300 0.016 0.000 0.963 203 D CA 0.389 54.399 54.000 0.017 0.000 0.863 203 D CB 0.030 40.837 40.800 0.011 0.000 0.973 203 D HN 0.038 nan 8.370 nan 0.000 0.501 204 L N 2.588 123.822 121.223 0.018 0.000 2.453 204 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 204 L C -1.797 175.089 176.870 0.026 0.000 1.182 204 L CA -0.871 53.980 54.840 0.018 0.000 0.858 204 L CB -0.365 41.707 42.059 0.021 0.000 1.120 204 L HN -0.077 nan 8.230 nan 0.000 0.474 205 P HA 0.159 nan 4.420 nan 0.000 0.231 205 P C -0.501 176.820 177.300 0.035 0.000 1.811 205 P CA -0.136 62.978 63.100 0.023 0.000 1.051 205 P CB 0.003 31.709 31.700 0.010 0.000 1.951 206 L N 1.266 122.517 121.223 0.048 0.000 2.439 206 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 206 L C 1.837 178.738 176.870 0.052 0.000 1.153 206 L CA -0.543 54.335 54.840 0.064 0.000 0.808 206 L CB 0.627 42.733 42.059 0.078 0.000 1.126 206 L HN 0.112 nan 8.230 nan 0.000 0.460 207 A N 1.651 124.499 122.820 0.046 0.000 2.030 207 A HA 0.550 4.870 4.320 -0.000 0.000 0.215 207 A C 0.740 178.344 177.584 0.032 0.000 1.164 207 A CA 1.085 53.127 52.037 0.008 0.000 0.697 207 A CB -0.018 18.957 19.000 -0.042 0.000 0.827 207 A HN 0.832 nan 8.150 nan 0.000 0.457 208 A N -2.602 120.268 122.820 0.083 0.000 2.490 208 A HA 0.556 4.876 4.320 -0.000 0.000 0.292 208 A C -1.537 176.134 177.584 0.146 0.000 1.047 208 A CA -0.134 51.998 52.037 0.158 0.000 0.632 208 A CB 0.220 19.410 19.000 0.317 0.000 1.323 208 A HN 0.659 nan 8.150 nan 0.000 0.448 209 V N 0.690 120.690 119.914 0.143 0.000 2.925 209 V HA 0.644 4.764 4.120 -0.000 0.000 0.311 209 V C -1.459 174.688 176.094 0.088 0.000 1.104 209 V CA -0.382 61.982 62.300 0.107 0.000 0.954 209 V CB 2.171 34.041 31.823 0.079 0.000 1.022 209 V HN 0.956 nan 8.190 nan 0.000 0.427 210 D N 1.655 122.099 120.400 0.074 0.000 2.462 210 D HA 0.376 5.015 4.640 -0.000 0.000 0.245 210 D C 0.753 177.078 176.300 0.042 0.000 1.122 210 D CA -0.283 53.743 54.000 0.044 0.000 0.864 210 D CB 1.945 42.770 40.800 0.042 0.000 1.098 210 D HN 0.358 nan 8.370 nan 0.000 0.541 211 V N 2.517 122.447 119.914 0.026 0.000 2.626 211 V HA 0.082 4.202 4.120 -0.000 0.000 0.252 211 V C 1.369 177.484 176.094 0.034 0.000 1.067 211 V CA 0.748 63.064 62.300 0.027 0.000 1.081 211 V CB -1.434 30.395 31.823 0.011 0.000 0.686 211 V HN 0.819 nan 8.190 nan 0.000 0.468 212 A N 0.723 123.561 122.820 0.029 0.000 2.049 212 A HA 0.001 4.321 4.320 -0.000 0.000 0.263 212 A C 0.919 178.536 177.584 0.055 0.000 1.316 212 A CA 0.764 52.828 52.037 0.045 0.000 0.759 212 A CB -1.934 17.102 19.000 0.059 0.000 1.141 212 A HN 1.594 nan 8.150 nan 0.000 0.325 213 G N -0.314 108.496 108.800 0.017 0.000 2.588 213 G HA2 0.748 4.708 3.960 -0.000 0.000 0.281 213 G HA3 0.748 4.708 3.960 -0.000 0.000 0.281 213 G C 0.477 175.335 174.900 -0.070 0.000 1.236 213 G CA 0.016 45.108 45.100 -0.014 0.000 0.969 213 G HN 1.997 nan 8.290 nan 0.000 0.504 214 A N -1.893 120.807 122.820 -0.200 0.000 2.332 214 A HA 0.635 4.955 4.320 -0.000 0.000 0.258 214 A C 1.260 178.468 177.584 -0.628 0.000 1.087 214 A CA 0.912 52.588 52.037 -0.602 0.000 0.802 214 A CB 0.432 18.956 19.000 -0.794 0.000 1.042 214 A HN 2.339 nan 8.150 nan 0.000 0.489 215 G N -0.294 107.954 108.800 -0.920 0.000 2.545 215 G HA2 0.083 4.043 3.960 -0.000 0.000 0.195 215 G HA3 0.083 4.043 3.960 -0.000 0.000 0.195 215 G C 0.827 175.665 174.900 -0.103 0.000 1.009 215 G CA 0.551 45.408 45.100 -0.406 0.000 0.703 215 G HN 1.646 nan 8.290 nan 0.000 0.479 216 G N -0.192 108.620 108.800 0.020 0.000 3.387 216 G HA2 0.482 4.442 3.960 -0.000 0.000 0.195 216 G HA3 0.482 4.442 3.960 -0.000 0.000 0.195 216 G C 0.561 175.670 174.900 0.348 0.000 1.853 216 G CA 1.094 46.263 45.100 0.114 0.000 0.879 216 G HN 1.155 nan 8.290 nan 0.000 0.651 217 T N -0.586 114.149 114.554 0.302 0.000 2.832 217 T HA 0.422 4.772 4.350 -0.000 0.000 0.296 217 T C 0.076 174.763 174.700 -0.021 0.000 0.968 217 T CA 0.122 62.270 62.100 0.080 0.000 1.107 217 T CB 0.874 69.740 68.868 -0.003 0.000 0.916 217 T HN 0.495 nan 8.240 nan 0.000 0.517 218 S N 4.387 119.832 115.700 -0.426 0.000 2.404 218 S HA 0.239 4.709 4.470 -0.000 0.000 0.309 218 S C 0.591 175.031 174.600 -0.266 0.000 1.076 218 S CA -0.859 56.916 58.200 -0.708 0.000 1.095 218 S CB -0.068 62.346 63.200 -1.310 0.000 0.972 218 S HN 0.898 nan 8.310 nan 0.000 0.484 219 W N 3.718 125.090 121.300 0.121 0.000 2.525 219 W HA 0.088 4.748 4.660 -0.000 0.000 0.259 219 W C 2.263 178.877 176.519 0.158 0.000 1.253 219 W CA 0.677 58.121 57.345 0.165 0.000 1.262 219 W CB -0.184 29.390 29.460 0.191 0.000 1.122 219 W HN 0.903 nan 8.180 nan 0.000 0.607 220 A N 0.163 123.200 122.820 0.362 0.000 1.929 220 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 220 A C 2.026 179.681 177.584 0.119 0.000 1.176 220 A CA 1.182 53.342 52.037 0.205 0.000 0.628 220 A CB -0.442 18.692 19.000 0.224 0.000 0.816 220 A HN 0.253 nan 8.150 nan 0.000 0.444 221 R N -0.618 119.892 120.500 0.017 0.000 2.066 221 R HA -0.054 4.285 4.340 -0.000 0.000 0.232 221 R C 2.023 178.322 176.300 -0.001 0.000 1.131 221 R CA 1.383 57.484 56.100 0.003 0.000 0.955 221 R CB -0.568 29.669 30.300 -0.106 0.000 0.851 221 R HN 0.362 nan 8.270 nan 0.000 0.432 222 V N 1.249 121.047 119.914 -0.193 0.000 2.392 222 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 222 V C 2.136 178.148 176.094 -0.136 0.000 1.059 222 V CA 1.920 64.024 62.300 -0.326 0.000 1.051 222 V CB -0.437 30.854 31.823 -0.886 0.000 0.658 222 V HN 0.258 nan 8.190 nan 0.000 0.455 223 E N 0.224 120.419 120.200 -0.009 0.000 2.047 223 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 223 E C 2.297 178.929 176.600 0.054 0.000 0.987 223 E CA 1.341 57.767 56.400 0.042 0.000 0.799 223 E CB -0.216 29.581 29.700 0.162 0.000 0.752 223 E HN 0.612 nan 8.360 nan 0.000 0.449 224 E N -0.652 119.639 120.200 0.151 0.000 2.106 224 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 224 E C 1.802 178.546 176.600 0.241 0.000 0.984 224 E CA 0.595 57.155 56.400 0.267 0.000 0.806 224 E CB -0.345 29.574 29.700 0.365 0.000 0.750 224 E HN 0.455 nan 8.360 nan 0.000 0.458 225 W N 1.360 122.671 121.300 0.018 0.000 2.374 225 W HA -0.152 4.508 4.660 -0.000 0.000 0.288 225 W C 1.667 178.144 176.519 -0.070 0.000 1.218 225 W CA 1.002 58.338 57.345 -0.015 0.000 1.245 225 W CB 0.059 29.470 29.460 -0.082 0.000 1.126 225 W HN -0.115 nan 8.180 nan 0.000 0.545 226 V N 0.951 120.922 119.914 0.096 0.000 2.667 226 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 226 V C 2.325 178.337 176.094 -0.135 0.000 1.065 226 V CA 1.686 63.968 62.300 -0.030 0.000 1.083 226 V CB -0.595 31.118 31.823 -0.183 0.000 0.692 226 V HN 0.076 nan 8.190 nan 0.000 0.468 227 R N -1.168 119.175 120.500 -0.261 0.000 2.140 227 R HA 0.140 4.480 4.340 -0.000 0.000 0.213 227 R C 1.587 177.450 176.300 -0.728 0.000 1.059 227 R CA 1.093 56.849 56.100 -0.575 0.000 1.000 227 R CB 0.027 29.781 30.300 -0.909 0.000 0.910 227 R HN 0.543 nan 8.270 nan 0.000 0.455 228 F N -1.732 118.140 119.950 -0.130 0.000 2.767 228 F HA 0.369 4.896 4.527 -0.000 0.000 0.323 228 F C 1.248 176.848 175.800 -0.334 0.000 1.091 228 F CA 0.112 57.999 58.000 -0.188 0.000 1.192 228 F CB 1.054 39.952 39.000 -0.171 0.000 1.056 228 F HN 0.076 nan 8.300 nan 0.000 0.571 229 G N 1.492 110.075 108.800 -0.362 0.000 2.143 229 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 229 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 229 G C -0.135 173.968 174.900 -1.329 0.000 0.991 229 G CA 0.449 45.086 45.100 -0.772 0.000 0.689 229 G HN 0.541 nan 8.290 nan 0.000 0.522 230 E N -2.359 117.245 120.200 -0.994 0.000 2.392 230 E HA 0.452 4.802 4.350 -0.000 0.000 0.281 230 E C -1.025 175.444 176.600 -0.219 0.000 1.088 230 E CA -1.200 54.720 56.400 -0.799 0.000 0.850 230 E CB 1.029 30.438 29.700 -0.484 0.000 1.267 230 E HN 0.383 nan 8.360 nan 0.000 0.438 231 V N 2.783 122.676 119.914 -0.035 0.000 2.372 231 V HA 0.187 4.307 4.120 -0.000 0.000 0.261 231 V C 1.191 177.211 176.094 -0.123 0.000 1.055 231 V CA -0.195 62.132 62.300 0.045 0.000 0.930 231 V CB 0.316 32.216 31.823 0.129 0.000 1.031 231 V HN 0.649 nan 8.190 nan 0.000 0.479 232 R N 2.235 122.562 120.500 -0.289 0.000 2.161 232 R HA 0.092 4.432 4.340 -0.000 0.000 0.213 232 R C 0.188 176.105 176.300 -0.638 0.000 1.055 232 R CA 0.638 56.386 56.100 -0.588 0.000 0.996 232 R CB 0.181 29.841 30.300 -1.067 0.000 0.901 232 R HN 0.720 nan 8.270 nan 0.000 0.456 233 H N 0.728 119.744 119.070 -0.090 0.000 2.317 233 H HA 0.176 4.732 4.556 -0.000 0.000 0.231 233 H C -1.827 173.505 175.328 0.007 0.000 1.442 233 H CA -1.921 54.106 56.048 -0.035 0.000 1.336 233 H CB 1.038 30.793 29.762 -0.013 0.000 1.533 233 H HN 0.053 nan 8.280 nan 0.000 0.522 234 P HA -0.260 nan 4.420 nan 0.000 0.214 234 P C 1.547 178.900 177.300 0.088 0.000 1.169 234 P CA 1.344 64.481 63.100 0.063 0.000 0.908 234 P CB 0.661 32.381 31.700 0.034 0.000 0.791 235 E N -0.679 119.572 120.200 0.085 0.000 2.118 235 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 235 E C 2.150 178.815 176.600 0.108 0.000 0.992 235 E CA 0.524 56.978 56.400 0.091 0.000 0.804 235 E CB -0.471 29.272 29.700 0.072 0.000 0.741 235 E HN 0.010 nan 8.360 nan 0.000 0.458 236 L N 0.688 121.981 121.223 0.116 0.000 2.083 236 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 236 L C 1.892 178.841 176.870 0.132 0.000 1.083 236 L CA 1.512 56.415 54.840 0.106 0.000 0.752 236 L CB -0.798 41.314 42.059 0.089 0.000 0.899 236 L HN 0.411 nan 8.230 nan 0.000 0.433 237 C N -0.013 119.373 119.300 0.144 0.000 2.562 237 C HA 0.071 4.531 4.460 -0.000 0.000 0.266 237 C C 2.061 177.156 174.990 0.175 0.000 1.382 237 C CA -0.346 58.767 59.018 0.158 0.000 1.742 237 C CB -0.638 27.162 27.740 0.099 0.000 1.812 237 C HN 0.466 nan 8.230 nan 0.000 0.559 238 E N 0.907 121.230 120.200 0.206 0.000 2.479 238 E HA 0.218 4.568 4.350 -0.000 0.000 0.193 238 E C 0.502 177.315 176.600 0.355 0.000 1.049 238 E CA 0.049 56.648 56.400 0.333 0.000 0.870 238 E CB 0.101 29.945 29.700 0.239 0.000 0.944 238 E HN 0.663 nan 8.360 nan 0.000 0.492 239 I N 1.463 122.211 120.570 0.297 0.000 2.683 239 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 239 I C 0.946 177.266 176.117 0.338 0.000 1.175 239 I CA 0.677 62.126 61.300 0.248 0.000 1.429 239 I CB 0.390 38.499 38.000 0.183 0.000 1.371 239 I HN 0.005 nan 8.210 nan 0.000 0.569 240 G N 5.877 114.794 108.800 0.194 0.000 2.337 240 G HA2 0.343 4.303 3.960 -0.000 0.000 0.298 240 G HA3 0.343 4.303 3.960 -0.000 0.000 0.298 240 G C -1.770 173.157 174.900 0.045 0.000 1.335 240 G CA -0.897 44.300 45.100 0.162 0.000 0.875 240 G HN 0.268 nan 8.290 nan 0.000 0.579 241 I N 1.933 122.518 120.570 0.025 0.000 2.330 241 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 241 I C -2.075 174.006 176.117 -0.060 0.000 1.001 241 I CA -2.278 59.017 61.300 -0.008 0.000 1.193 241 I CB 1.842 39.849 38.000 0.012 0.000 1.345 241 I HN 0.100 nan 8.210 nan 0.000 0.461 242 P HA 0.035 nan 4.420 nan 0.000 0.264 242 P C 0.865 178.120 177.300 -0.075 0.000 1.183 242 P CA 0.241 63.269 63.100 -0.120 0.000 0.763 242 P CB 0.411 32.061 31.700 -0.084 0.000 0.807 243 T N 2.392 116.889 114.554 -0.095 0.000 2.680 243 T HA -0.303 4.047 4.350 -0.000 0.000 0.268 243 T C 1.731 176.407 174.700 -0.040 0.000 1.033 243 T CA 2.265 64.328 62.100 -0.061 0.000 1.152 243 T CB -0.637 68.187 68.868 -0.073 0.000 0.859 243 T HN 0.495 nan 8.240 nan 0.000 0.452 244 A N 1.688 124.496 122.820 -0.020 0.000 1.877 244 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 244 A C 2.420 180.008 177.584 0.006 0.000 1.186 244 A CA 1.230 53.266 52.037 -0.003 0.000 0.620 244 A CB -0.410 18.669 19.000 0.132 0.000 0.822 244 A HN 0.206 nan 8.150 nan 0.000 0.443 245 R N -0.367 120.152 120.500 0.032 0.000 2.081 245 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 245 R C 2.430 178.733 176.300 0.005 0.000 1.131 245 R CA 1.462 57.580 56.100 0.030 0.000 0.960 245 R CB -1.202 29.113 30.300 0.024 0.000 0.856 245 R HN 0.542 nan 8.270 nan 0.000 0.436 246 A N 1.075 123.891 122.820 -0.006 0.000 1.902 246 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 246 A C 2.335 179.910 177.584 -0.014 0.000 1.181 246 A CA 1.228 53.261 52.037 -0.006 0.000 0.623 246 A CB -0.507 18.490 19.000 -0.005 0.000 0.818 246 A HN 0.205 nan 8.150 nan 0.000 0.443 247 I N -0.302 120.250 120.570 -0.030 0.000 2.099 247 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 247 I C 2.482 178.572 176.117 -0.044 0.000 1.066 247 I CA 1.448 62.722 61.300 -0.043 0.000 1.324 247 I CB -0.507 37.449 38.000 -0.073 0.000 1.037 247 I HN 0.309 nan 8.210 nan 0.000 0.401 248 L N 0.263 121.456 121.223 -0.050 0.000 1.989 248 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 248 L C 2.599 179.458 176.870 -0.020 0.000 1.071 248 L CA 1.675 56.492 54.840 -0.039 0.000 0.749 248 L CB -0.717 41.330 42.059 -0.020 0.000 0.890 248 L HN 0.285 nan 8.230 nan 0.000 0.431 249 E N -0.406 119.789 120.200 -0.008 0.000 2.051 249 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 249 E C 2.265 178.862 176.600 -0.004 0.000 0.991 249 E CA 1.510 57.909 56.400 -0.002 0.000 0.799 249 E CB -0.078 29.625 29.700 0.005 0.000 0.748 249 E HN 0.257 nan 8.360 nan 0.000 0.449 250 V N 1.002 120.913 119.914 -0.004 0.000 2.270 250 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 250 V C 2.396 178.484 176.094 -0.010 0.000 1.043 250 V CA 2.019 64.318 62.300 -0.001 0.000 1.014 250 V CB -0.480 31.346 31.823 0.006 0.000 0.645 250 V HN 0.161 nan 8.190 nan 0.000 0.447 251 R N 1.065 121.552 120.500 -0.021 0.000 2.096 251 R HA -0.264 4.076 4.340 -0.000 0.000 0.240 251 R C 2.209 178.482 176.300 -0.045 0.000 1.139 251 R CA 2.336 58.413 56.100 -0.037 0.000 0.952 251 R CB -0.683 29.589 30.300 -0.047 0.000 0.854 251 R HN 0.595 nan 8.270 nan 0.000 0.436 252 E N -0.351 119.829 120.200 -0.034 0.000 2.114 252 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 252 E C 1.634 178.219 176.600 -0.025 0.000 1.008 252 E CA 2.321 58.703 56.400 -0.029 0.000 0.810 252 E CB -0.307 29.384 29.700 -0.015 0.000 0.739 252 E HN 0.278 nan 8.360 nan 0.000 0.456 253 V N -0.029 119.876 119.914 -0.016 0.000 2.599 253 V HA 0.021 4.141 4.120 -0.000 0.000 0.245 253 V C 1.258 177.349 176.094 -0.005 0.000 1.046 253 V CA 1.076 63.373 62.300 -0.006 0.000 1.065 253 V CB -0.244 31.582 31.823 0.004 0.000 0.703 253 V HN 0.231 nan 8.190 nan 0.000 0.464 254 L N 2.138 123.354 121.223 -0.011 0.000 2.599 254 L HA 0.311 4.651 4.340 -0.000 0.000 0.241 254 L C -1.466 175.375 176.870 -0.049 0.000 1.207 254 L CA -1.175 53.663 54.840 -0.002 0.000 0.987 254 L CB 0.774 42.846 42.059 0.022 0.000 1.318 254 L HN 0.134 nan 8.230 nan 0.000 0.458 255 P HA -0.179 nan 4.420 nan 0.000 0.222 255 P C 0.613 177.621 177.300 -0.486 0.000 1.142 255 P CA 1.647 64.555 63.100 -0.321 0.000 0.788 255 P CB 0.278 31.725 31.700 -0.421 0.000 0.767 256 H N -2.468 116.616 119.070 0.023 0.000 3.205 256 H HA 0.213 4.769 4.556 -0.000 0.000 0.252 256 H C 0.704 176.055 175.328 0.038 0.000 1.015 256 H CA -0.735 55.330 56.048 0.028 0.000 1.192 256 H CB -0.190 29.586 29.762 0.024 0.000 1.474 256 H HN -0.029 nan 8.280 nan 0.000 0.484 257 L N 5.173 126.476 121.223 0.133 0.000 2.540 257 L HA 0.132 4.471 4.340 -0.000 0.000 0.276 257 L C -2.254 174.681 176.870 0.107 0.000 1.212 257 L CA -2.084 52.822 54.840 0.111 0.000 0.893 257 L CB 0.244 42.356 42.059 0.088 0.000 1.138 257 L HN -0.033 nan 8.230 nan 0.000 0.491 258 P HA 0.063 nan 4.420 nan 0.000 0.267 258 P C -1.031 176.352 177.300 0.138 0.000 1.205 258 P CA 0.165 63.361 63.100 0.160 0.000 0.765 258 P CB 0.477 32.342 31.700 0.274 0.000 0.828 259 L N 3.449 124.713 121.223 0.068 0.000 2.325 259 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 259 L C 0.128 176.982 176.870 -0.025 0.000 1.023 259 L CA -1.255 53.605 54.840 0.032 0.000 0.811 259 L CB 2.158 44.223 42.059 0.010 0.000 1.249 259 L HN 0.101 nan 8.230 nan 0.000 0.431 260 V N 2.172 122.067 119.914 -0.031 0.000 2.417 260 V HA 0.527 4.647 4.120 -0.000 0.000 0.291 260 V C 0.259 176.319 176.094 -0.058 0.000 1.024 260 V CA -0.579 61.665 62.300 -0.092 0.000 0.861 260 V CB 1.635 33.391 31.823 -0.111 0.000 0.985 260 V HN 0.849 nan 8.190 nan 0.000 0.436 261 A N 4.447 127.228 122.820 -0.065 0.000 2.260 261 A HA 0.828 5.148 4.320 -0.000 0.000 0.308 261 A C 0.183 177.743 177.584 -0.040 0.000 1.254 261 A CA -0.119 51.893 52.037 -0.042 0.000 0.874 261 A CB 0.628 19.607 19.000 -0.034 0.000 1.153 261 A HN 1.153 nan 8.150 nan 0.000 0.527 262 S N 1.116 116.803 115.700 -0.023 0.000 2.550 262 S HA 0.818 5.288 4.470 -0.000 0.000 0.270 262 S C -0.258 174.352 174.600 0.017 0.000 1.145 262 S CA -0.065 58.132 58.200 -0.005 0.000 0.852 262 S CB 1.353 64.541 63.200 -0.020 0.000 1.119 262 S HN 2.524 nan 8.310 nan 0.000 0.465 263 G N -0.025 108.804 108.800 0.048 0.000 2.766 263 G HA2 0.463 4.423 3.960 -0.000 0.000 0.208 263 G HA3 0.463 4.423 3.960 -0.000 0.000 0.208 263 G C 0.915 175.755 174.900 -0.100 0.000 0.991 263 G CA 0.291 45.413 45.100 0.036 0.000 1.212 263 G HN 2.498 nan 8.290 nan 0.000 0.617 264 G N -1.562 107.085 108.800 -0.255 0.000 2.137 264 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.237 264 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.237 264 G C 0.524 175.000 174.900 -0.707 0.000 1.002 264 G CA 0.422 44.946 45.100 -0.960 0.000 0.702 264 G HN 1.814 nan 8.290 nan 0.000 0.515 265 V N 1.601 121.390 119.914 -0.208 0.000 2.224 265 V HA 0.245 4.365 4.120 -0.000 0.000 0.289 265 V C 1.115 177.465 176.094 0.425 0.000 1.518 265 V CA -0.504 61.837 62.300 0.069 0.000 1.533 265 V CB -0.854 31.050 31.823 0.134 0.000 1.460 265 V HN 0.338 nan 8.190 nan 0.000 0.515 266 Y N 0.998 121.477 120.300 0.299 0.000 2.529 266 Y HA 0.169 4.719 4.550 -0.000 0.000 0.290 266 Y C 1.493 177.635 175.900 0.403 0.000 1.177 266 Y CA -0.287 58.086 58.100 0.455 0.000 1.305 266 Y CB -0.687 37.976 38.460 0.338 0.000 1.047 266 Y HN 0.617 nan 8.280 nan 0.000 0.522 267 T N -5.352 109.342 114.554 0.232 0.000 2.883 267 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 267 T C 1.296 175.564 174.700 -0.720 0.000 1.117 267 T CA -0.352 61.611 62.100 -0.229 0.000 1.006 267 T CB 1.532 70.333 68.868 -0.112 0.000 1.191 267 T HN 0.033 nan 8.240 nan 0.000 0.508 268 G N 0.715 108.984 108.800 -0.884 0.000 2.421 268 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 268 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 268 G C 1.330 176.050 174.900 -0.300 0.000 1.171 268 G CA 1.391 46.056 45.100 -0.726 0.000 0.775 268 G HN 0.832 nan 8.290 nan 0.000 0.543 269 T N 1.023 115.454 114.554 -0.205 0.000 2.720 269 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 269 T C 1.938 176.598 174.700 -0.066 0.000 1.037 269 T CA 1.524 63.566 62.100 -0.098 0.000 1.144 269 T CB -0.250 68.573 68.868 -0.075 0.000 0.864 269 T HN 0.146 nan 8.240 nan 0.000 0.444 270 D N 0.725 121.081 120.400 -0.074 0.000 2.144 270 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 270 D C 2.403 178.705 176.300 0.004 0.000 0.978 270 D CA 1.037 55.024 54.000 -0.021 0.000 0.833 270 D CB -0.705 40.096 40.800 0.001 0.000 0.961 270 D HN 0.475 nan 8.370 nan 0.000 0.470 271 G N 0.815 109.621 108.800 0.010 0.000 2.418 271 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 271 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 271 G C 1.727 176.656 174.900 0.049 0.000 1.158 271 G CA 1.225 46.386 45.100 0.103 0.000 0.771 271 G HN 0.377 nan 8.290 nan 0.000 0.545 272 A N 0.939 123.768 122.820 0.015 0.000 1.883 272 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 272 A C 2.311 179.889 177.584 -0.009 0.000 1.186 272 A CA 2.081 54.125 52.037 0.011 0.000 0.624 272 A CB -0.410 18.594 19.000 0.007 0.000 0.822 272 A HN 0.387 nan 8.150 nan 0.000 0.444 273 K N -0.422 119.967 120.400 -0.019 0.000 2.057 273 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 273 K C 2.356 178.901 176.600 -0.092 0.000 1.049 273 K CA 1.096 57.353 56.287 -0.051 0.000 0.931 273 K CB -0.373 32.112 32.500 -0.026 0.000 0.714 273 K HN 0.454 nan 8.250 nan 0.000 0.440 274 A N 1.707 124.494 122.820 -0.055 0.000 1.865 274 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 274 A C 2.171 179.716 177.584 -0.064 0.000 1.191 274 A CA 1.472 53.472 52.037 -0.061 0.000 0.623 274 A CB -0.794 18.199 19.000 -0.012 0.000 0.826 274 A HN 0.160 nan 8.150 nan 0.000 0.444 275 L N -0.846 120.358 121.223 -0.032 0.000 1.994 275 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 275 L C 3.132 179.972 176.870 -0.049 0.000 1.071 275 L CA 1.207 56.031 54.840 -0.027 0.000 0.745 275 L CB -0.793 41.267 42.059 0.002 0.000 0.892 275 L HN 0.433 nan 8.230 nan 0.000 0.431 276 A N 0.257 123.043 122.820 -0.057 0.000 1.958 276 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 276 A C 2.198 179.713 177.584 -0.115 0.000 1.178 276 A CA 1.753 53.747 52.037 -0.072 0.000 0.642 276 A CB -0.876 18.082 19.000 -0.069 0.000 0.816 276 A HN 0.440 nan 8.150 nan 0.000 0.453 277 L N -2.032 119.088 121.223 -0.172 0.000 2.552 277 L HA 0.142 4.482 4.340 -0.000 0.000 0.227 277 L C 1.623 178.412 176.870 -0.136 0.000 1.146 277 L CA 0.668 55.376 54.840 -0.220 0.000 0.858 277 L CB -0.220 41.634 42.059 -0.341 0.000 0.969 277 L HN 0.644 nan 8.230 nan 0.000 0.451 278 G N -0.851 107.893 108.800 -0.094 0.000 2.200 278 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.145 278 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.145 278 G C 0.137 175.008 174.900 -0.049 0.000 1.021 278 G CA -0.206 44.855 45.100 -0.065 0.000 0.720 278 G HN 0.356 nan 8.290 nan 0.000 0.494 279 A N -0.183 122.607 122.820 -0.050 0.000 2.264 279 A HA 0.740 5.060 4.320 -0.000 0.000 0.304 279 A C 0.769 178.336 177.584 -0.029 0.000 1.100 279 A CA 0.388 52.401 52.037 -0.039 0.000 0.839 279 A CB 0.769 19.743 19.000 -0.044 0.000 1.121 279 A HN 0.046 nan 8.150 nan 0.000 0.496 280 D N -0.968 119.410 120.400 -0.037 0.000 2.482 280 D HA 0.194 4.833 4.640 -0.000 0.000 0.251 280 D C -0.236 176.014 176.300 -0.084 0.000 1.073 280 D CA 0.576 54.556 54.000 -0.034 0.000 0.892 280 D CB 0.413 41.210 40.800 -0.004 0.000 1.202 280 D HN 0.212 nan 8.370 nan 0.000 0.496 281 L N 1.496 122.629 121.223 -0.149 0.000 2.371 281 L HA 0.407 4.747 4.340 -0.000 0.000 0.262 281 L C -0.755 176.019 176.870 -0.161 0.000 1.006 281 L CA -0.676 54.031 54.840 -0.221 0.000 0.818 281 L CB 2.486 44.242 42.059 -0.505 0.000 1.354 281 L HN -0.167 nan 8.230 nan 0.000 0.415 282 L N 1.441 122.578 121.223 -0.144 0.000 2.334 282 L HA 0.836 5.176 4.340 -0.000 0.000 0.273 282 L C 0.132 176.766 176.870 -0.393 0.000 1.013 282 L CA -0.634 54.124 54.840 -0.137 0.000 0.816 282 L CB 1.450 43.547 42.059 0.063 0.000 1.278 282 L HN 0.747 nan 8.230 nan 0.000 0.431 283 A N 2.562 125.173 122.820 -0.348 0.000 2.398 283 A HA 0.808 5.128 4.320 -0.000 0.000 0.301 283 A C -1.231 176.163 177.584 -0.317 0.000 1.041 283 A CA -0.462 51.291 52.037 -0.473 0.000 0.711 283 A CB 1.721 20.555 19.000 -0.277 0.000 1.240 283 A HN 0.356 nan 8.150 nan 0.000 0.420 284 V N 1.678 121.340 119.914 -0.420 0.000 2.540 284 V HA 0.719 4.838 4.120 -0.000 0.000 0.302 284 V C 0.713 176.711 176.094 -0.161 0.000 1.035 284 V CA 0.328 62.540 62.300 -0.147 0.000 0.873 284 V CB 1.135 32.905 31.823 -0.089 0.000 0.992 284 V HN 1.311 nan 8.190 nan 0.000 0.428 285 A N 4.231 127.002 122.820 -0.081 0.000 2.113 285 A HA 0.302 4.621 4.320 -0.000 0.000 0.211 285 A C 1.856 179.345 177.584 -0.158 0.000 2.359 285 A CA 0.525 52.508 52.037 -0.091 0.000 1.274 285 A CB -0.398 18.611 19.000 0.015 0.000 1.160 285 A HN 0.708 nan 8.150 nan 0.000 0.585 286 R N 0.333 120.774 120.500 -0.100 0.000 2.134 286 R HA -0.158 4.182 4.340 -0.000 0.000 0.248 286 R C -1.039 175.073 176.300 -0.314 0.000 1.143 286 R CA 2.523 58.524 56.100 -0.165 0.000 0.957 286 R CB -1.314 28.915 30.300 -0.118 0.000 0.867 286 R HN 0.357 nan 8.270 nan 0.000 0.441 287 P HA -0.154 nan 4.420 nan 0.000 0.223 287 P C 0.549 177.422 177.300 -0.712 0.000 1.144 287 P CA 0.942 63.708 63.100 -0.558 0.000 0.783 287 P CB 0.109 31.432 31.700 -0.629 0.000 0.771 288 L N -1.982 118.838 121.223 -0.672 0.000 2.529 288 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 288 L C 1.952 178.632 176.870 -0.315 0.000 1.113 288 L CA 0.699 55.178 54.840 -0.602 0.000 0.861 288 L CB -1.557 40.219 42.059 -0.472 0.000 1.012 288 L HN 0.053 nan 8.230 nan 0.000 0.461 289 L N 0.616 121.693 121.223 -0.243 0.000 2.042 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 289 L C 2.755 179.554 176.870 -0.119 0.000 1.076 289 L CA 1.891 56.644 54.840 -0.145 0.000 0.749 289 L CB -0.551 41.440 42.059 -0.115 0.000 0.893 289 L HN 0.203 nan 8.230 nan 0.000 0.432 290 R N -0.169 120.254 120.500 -0.127 0.000 2.062 290 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 290 R C -0.537 175.725 176.300 -0.063 0.000 1.128 290 R CA 1.400 57.452 56.100 -0.079 0.000 0.960 290 R CB -1.241 29.023 30.300 -0.060 0.000 0.855 290 R HN 0.370 nan 8.270 nan 0.000 0.432 291 P HA -0.100 nan 4.420 nan 0.000 0.222 291 P C 0.689 177.963 177.300 -0.043 0.000 1.147 291 P CA 1.642 64.721 63.100 -0.036 0.000 0.790 291 P CB 0.027 31.712 31.700 -0.024 0.000 0.780 292 A N 0.209 122.985 122.820 -0.074 0.000 1.968 292 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 292 A C 2.328 179.892 177.584 -0.035 0.000 1.169 292 A CA 0.937 52.941 52.037 -0.055 0.000 0.638 292 A CB -1.402 17.557 19.000 -0.069 0.000 0.812 292 A HN 0.133 nan 8.150 nan 0.000 0.446 293 L N -0.694 120.508 121.223 -0.035 0.000 2.291 293 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 293 L C 2.039 178.901 176.870 -0.014 0.000 1.120 293 L CA 1.076 55.903 54.840 -0.023 0.000 0.799 293 L CB -0.431 41.614 42.059 -0.024 0.000 0.925 293 L HN 0.507 nan 8.230 nan 0.000 0.446 294 E N -0.260 119.934 120.200 -0.011 0.000 2.400 294 E HA 0.222 4.572 4.350 -0.000 0.000 0.195 294 E C 0.747 177.347 176.600 0.000 0.000 1.012 294 E CA 0.366 56.764 56.400 -0.002 0.000 0.875 294 E CB 0.506 30.210 29.700 0.006 0.000 0.859 294 E HN 0.420 nan 8.360 nan 0.000 0.498 295 G N 0.257 109.055 108.800 -0.003 0.000 2.428 295 G HA2 0.035 3.995 3.960 -0.000 0.000 0.681 295 G HA3 0.035 3.995 3.960 -0.000 0.000 0.681 295 G C 0.397 175.298 174.900 0.001 0.000 1.340 295 G CA -0.533 44.566 45.100 -0.001 0.000 0.915 295 G HN 0.075 nan 8.290 nan 0.000 0.645 296 A N -0.078 122.742 122.820 0.001 0.000 1.917 296 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 296 A C 2.142 179.732 177.584 0.011 0.000 1.182 296 A CA 2.541 54.580 52.037 0.003 0.000 0.633 296 A CB -0.446 18.555 19.000 0.002 0.000 0.819 296 A HN 1.068 nan 8.150 nan 0.000 0.448 297 E N -0.067 120.140 120.200 0.012 0.000 2.058 297 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 297 E C 2.234 178.851 176.600 0.029 0.000 0.997 297 E CA 1.794 58.204 56.400 0.016 0.000 0.801 297 E CB -0.235 29.472 29.700 0.013 0.000 0.746 297 E HN 0.418 nan 8.360 nan 0.000 0.450 298 R N 0.456 120.975 120.500 0.033 0.000 2.083 298 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 298 R C 2.469 178.821 176.300 0.086 0.000 1.137 298 R CA 1.551 57.685 56.100 0.056 0.000 0.951 298 R CB -0.916 29.410 30.300 0.043 0.000 0.851 298 R HN 0.123 nan 8.270 nan 0.000 0.434 299 V N 0.685 120.629 119.914 0.051 0.000 2.343 299 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 299 V C 2.348 178.493 176.094 0.086 0.000 1.051 299 V CA 1.972 64.301 62.300 0.048 0.000 1.036 299 V CB -0.994 30.826 31.823 -0.005 0.000 0.654 299 V HN 0.525 nan 8.190 nan 0.000 0.451 300 A N -0.122 122.729 122.820 0.051 0.000 1.933 300 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 300 A C 2.417 180.031 177.584 0.050 0.000 1.175 300 A CA 2.013 54.070 52.037 0.033 0.000 0.628 300 A CB -0.693 18.316 19.000 0.014 0.000 0.814 300 A HN 0.567 nan 8.150 nan 0.000 0.444 301 A N -1.384 121.479 122.820 0.071 0.000 1.877 301 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 301 A C 1.987 179.625 177.584 0.089 0.000 1.186 301 A CA 1.468 53.541 52.037 0.059 0.000 0.620 301 A CB -0.981 18.053 19.000 0.057 0.000 0.822 301 A HN 0.802 nan 8.150 nan 0.000 0.443 302 W N 0.616 121.897 121.300 -0.031 0.000 2.311 302 W HA -0.241 4.420 4.660 0.000 0.000 0.326 302 W C 1.979 178.475 176.519 -0.038 0.000 1.239 302 W CA 2.386 59.721 57.345 -0.017 0.000 1.258 302 W CB -0.305 29.146 29.460 -0.014 0.000 1.165 302 W HN 0.312 nan 8.180 nan 0.000 0.466 303 I N 0.549 121.368 120.570 0.415 0.000 2.264 303 I HA -0.251 3.918 4.170 -0.000 0.000 0.248 303 I C 2.614 178.675 176.117 -0.093 0.000 1.111 303 I CA 1.499 62.835 61.300 0.061 0.000 1.382 303 I CB -1.399 36.456 38.000 -0.242 0.000 1.060 303 I HN 0.241 nan 8.210 nan 0.000 0.418 304 G N 0.571 109.344 108.800 -0.046 0.000 2.446 304 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 304 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 304 G C 1.279 176.143 174.900 -0.060 0.000 1.168 304 G CA 1.406 46.472 45.100 -0.057 0.000 0.771 304 G HN 0.384 nan 8.290 nan 0.000 0.551 305 D N -1.299 119.048 120.400 -0.088 0.000 2.144 305 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 305 D C 1.965 178.185 176.300 -0.134 0.000 0.984 305 D CA 0.714 54.635 54.000 -0.133 0.000 0.834 305 D CB -0.238 40.438 40.800 -0.206 0.000 0.955 305 D HN 0.439 nan 8.370 nan 0.000 0.465 306 Y N 0.336 120.449 120.300 -0.311 0.000 2.200 306 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 306 Y C 1.866 177.697 175.900 -0.114 0.000 1.137 306 Y CA 1.293 59.241 58.100 -0.253 0.000 1.163 306 Y CB 0.012 38.343 38.460 -0.215 0.000 0.988 306 Y HN -0.008 nan 8.280 nan 0.000 0.518 307 L N 0.053 121.385 121.223 0.182 0.000 2.156 307 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 307 L C 2.449 179.340 176.870 0.034 0.000 1.095 307 L CA 1.357 56.273 54.840 0.127 0.000 0.770 307 L CB -0.526 41.550 42.059 0.029 0.000 0.914 307 L HN 0.296 nan 8.230 nan 0.000 0.439 308 E N 0.934 121.127 120.200 -0.012 0.000 2.110 308 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 308 E C 1.953 178.529 176.600 -0.041 0.000 0.988 308 E CA 1.651 58.030 56.400 -0.035 0.000 0.804 308 E CB 0.185 29.852 29.700 -0.054 0.000 0.745 308 E HN 0.697 nan 8.360 nan 0.000 0.458 309 E N 0.263 120.421 120.200 -0.070 0.000 2.122 309 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 309 E C 2.287 178.850 176.600 -0.062 0.000 0.977 309 E CA 0.441 56.791 56.400 -0.084 0.000 0.820 309 E CB -0.412 29.199 29.700 -0.147 0.000 0.770 309 E HN 0.194 nan 8.360 nan 0.000 0.462 310 L N 1.958 123.145 121.223 -0.060 0.000 2.042 310 L HA -0.147 4.192 4.340 -0.000 0.000 0.210 310 L C 2.615 179.509 176.870 0.040 0.000 1.076 310 L CA 1.997 56.834 54.840 -0.006 0.000 0.749 310 L CB -0.539 41.573 42.059 0.088 0.000 0.893 310 L HN 0.107 nan 8.230 nan 0.000 0.432 311 R N -1.156 119.369 120.500 0.042 0.000 2.070 311 R HA -0.167 4.173 4.340 -0.000 0.000 0.233 311 R C 2.072 178.429 176.300 0.095 0.000 1.137 311 R CA 2.177 58.311 56.100 0.056 0.000 0.945 311 R CB -0.631 29.681 30.300 0.020 0.000 0.845 311 R HN 0.425 nan 8.270 nan 0.000 0.430 312 T N 0.727 115.324 114.554 0.071 0.000 2.759 312 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 312 T C 1.767 176.585 174.700 0.197 0.000 1.042 312 T CA 1.389 63.576 62.100 0.145 0.000 1.140 312 T CB -0.303 68.609 68.868 0.074 0.000 0.864 312 T HN 0.505 nan 8.240 nan 0.000 0.455 313 A N 1.226 124.106 122.820 0.100 0.000 1.877 313 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 313 A C 2.303 179.945 177.584 0.097 0.000 1.186 313 A CA 1.173 53.256 52.037 0.078 0.000 0.620 313 A CB -0.867 18.146 19.000 0.023 0.000 0.822 313 A HN 0.470 nan 8.150 nan 0.000 0.443 314 L N -1.806 119.478 121.223 0.102 0.000 2.079 314 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 314 L C 2.496 179.442 176.870 0.128 0.000 1.081 314 L CA 1.650 56.548 54.840 0.095 0.000 0.752 314 L CB -0.564 41.551 42.059 0.094 0.000 0.896 314 L HN 0.537 nan 8.230 nan 0.000 0.433 315 F N 1.041 121.008 119.950 0.027 0.000 2.102 315 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 315 F C 2.408 178.235 175.800 0.045 0.000 1.105 315 F CA 1.376 59.394 58.000 0.029 0.000 1.239 315 F CB -0.421 38.596 39.000 0.028 0.000 0.991 315 F HN -0.015 nan 8.300 nan 0.000 0.474 316 A N 0.385 123.147 122.820 -0.096 0.000 2.015 316 A HA -0.089 4.230 4.320 -0.000 0.000 0.219 316 A C 2.169 179.710 177.584 -0.073 0.000 1.163 316 A CA 1.438 53.415 52.037 -0.100 0.000 0.646 316 A CB -0.976 18.148 19.000 0.206 0.000 0.806 316 A HN 0.423 nan 8.150 nan 0.000 0.448 317 I N -1.072 119.481 120.570 -0.028 0.000 2.439 317 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 317 I C 1.874 177.939 176.117 -0.087 0.000 1.139 317 I CA 1.666 62.951 61.300 -0.026 0.000 1.438 317 I CB -1.256 36.749 38.000 0.008 0.000 1.085 317 I HN 0.561 nan 8.210 nan 0.000 0.427 318 G N 0.575 109.303 108.800 -0.120 0.000 2.138 318 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.193 318 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.193 318 G C 0.371 175.245 174.900 -0.043 0.000 0.998 318 G CA 0.083 45.112 45.100 -0.118 0.000 0.668 318 G HN 0.683 nan 8.290 nan 0.000 0.516 319 A N -0.458 122.357 122.820 -0.007 0.000 2.292 319 A HA 0.850 5.170 4.320 -0.000 0.000 0.319 319 A C 0.952 178.568 177.584 0.053 0.000 1.206 319 A CA -0.239 51.810 52.037 0.021 0.000 0.835 319 A CB 0.829 19.843 19.000 0.024 0.000 1.164 319 A HN 0.232 nan 8.150 nan 0.000 0.505 320 R N 0.639 121.168 120.500 0.049 0.000 2.275 320 R HA 0.094 4.433 4.340 -0.000 0.000 0.199 320 R C -0.351 175.983 176.300 0.058 0.000 0.989 320 R CA 1.118 57.255 56.100 0.062 0.000 1.016 320 R CB -0.063 30.267 30.300 0.049 0.000 0.918 320 R HN 0.968 nan 8.270 nan 0.000 0.473 321 N N -4.457 114.273 118.700 0.051 0.000 2.961 321 N HA 0.200 4.939 4.740 -0.000 0.000 0.245 321 N C -2.727 172.810 175.510 0.046 0.000 1.404 321 N CA -1.492 51.587 53.050 0.050 0.000 0.880 321 N CB 0.994 39.508 38.487 0.045 0.000 1.461 321 N HN -0.399 nan 8.380 nan 0.000 0.510 322 P HA -0.222 nan 4.420 nan 0.000 0.218 322 P C 0.720 178.039 177.300 0.031 0.000 1.147 322 P CA 1.382 64.507 63.100 0.042 0.000 0.827 322 P CB 0.211 31.938 31.700 0.045 0.000 0.778 323 K N -0.154 120.266 120.400 0.033 0.000 2.031 323 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 323 K C 1.739 178.351 176.600 0.020 0.000 1.049 323 K CA 1.214 57.517 56.287 0.028 0.000 0.939 323 K CB -0.568 31.952 32.500 0.033 0.000 0.717 323 K HN 0.352 nan 8.250 nan 0.000 0.438 324 E N 0.711 120.924 120.200 0.022 0.000 2.515 324 E HA -0.078 4.272 4.350 -0.000 0.000 0.201 324 E C 1.582 178.187 176.600 0.008 0.000 1.071 324 E CA 0.400 56.809 56.400 0.015 0.000 0.880 324 E CB 0.001 29.710 29.700 0.016 0.000 0.828 324 E HN 0.231 nan 8.360 nan 0.000 0.540 325 A N 1.731 124.558 122.820 0.010 0.000 2.016 325 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 325 A C 1.505 179.084 177.584 -0.009 0.000 1.162 325 A CA 0.055 52.094 52.037 0.004 0.000 0.662 325 A CB -0.174 18.832 19.000 0.010 0.000 0.812 325 A HN 0.042 nan 8.150 nan 0.000 0.450 326 R N 0.102 120.596 120.500 -0.010 0.000 2.494 326 R HA 0.229 4.569 4.340 -0.000 0.000 0.291 326 R C 1.221 177.508 176.300 -0.022 0.000 0.953 326 R CA 1.198 57.286 56.100 -0.021 0.000 1.098 326 R CB -0.720 29.571 30.300 -0.014 0.000 0.911 326 R HN 1.025 nan 8.270 nan 0.000 0.407 327 G N 4.340 113.119 108.800 -0.035 0.000 2.234 327 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 327 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 327 G C 0.466 175.357 174.900 -0.015 0.000 0.987 327 G CA 0.433 45.518 45.100 -0.026 0.000 0.625 327 G HN 0.638 nan 8.290 nan 0.000 0.532 328 R N 0.100 120.591 120.500 -0.015 0.000 3.385 328 R HA 0.417 4.756 4.340 -0.000 0.000 0.236 328 R C 0.060 176.363 176.300 0.006 0.000 1.663 328 R CA 0.668 56.765 56.100 -0.005 0.000 1.444 328 R CB 0.061 30.357 30.300 -0.007 0.000 1.218 328 R HN 0.441 nan 8.270 nan 0.000 0.575 329 V N 0.426 120.346 119.914 0.009 0.000 3.049 329 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 329 V C -1.327 174.819 176.094 0.087 0.000 1.148 329 V CA -0.865 61.458 62.300 0.039 0.000 0.990 329 V CB 2.707 34.526 31.823 -0.008 0.000 1.039 329 V HN 0.469 nan 8.190 nan 0.000 0.430 330 E N 4.063 124.354 120.200 0.152 0.000 2.393 330 E HA 0.568 4.918 4.350 -0.000 0.000 0.273 330 E C -0.984 175.765 176.600 0.249 0.000 0.918 330 E CA -1.120 55.384 56.400 0.174 0.000 0.773 330 E CB 2.269 32.023 29.700 0.089 0.000 1.275 330 E HN 0.672 nan 8.360 nan 0.000 0.451 331 R N 1.715 122.318 120.500 0.171 0.000 2.389 331 R HA 0.271 4.611 4.340 -0.000 0.000 0.295 331 R C -0.270 175.966 176.300 -0.106 0.000 1.075 331 R CA -0.391 55.656 56.100 -0.088 0.000 1.005 331 R CB 0.847 31.055 30.300 -0.154 0.000 0.987 331 R HN 0.463 nan 8.270 nan 0.000 0.452 332 V N 0.000 119.807 119.914 -0.178 0.000 2.409 332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 332 V CA 0.000 62.234 62.300 -0.110 0.000 1.235 332 V CB 0.000 31.756 31.823 -0.112 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556