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 3agj_1_E DATA FIRST_RESID 3 DATA SEQUENCE EKPHMNLVVI GHVDHGKSTL VGHLLYRLGY IEEKKLKELE EQAKSRGKES DATA SEQUENCE FKFAWILDKM KEERERGITI DLTFMKFETK KYVFTIIDAP GHRDFVKNMI DATA SEQUENCE TGASQADAAI LVVSARKGEF EAGMSTEGQT REHLLLARTM GIEQIIVAVN DATA SEQUENCE KMDAPDVNYD QKRYEFVVSV LKKFMKGLGY QVDKIPFIPV SAWKGDNLIE DATA SEQUENCE RSPNMPWYNG PTLVEALDQL QPPAKPVDKP LRIPVQNVYS IPGAGTVPVG DATA SEQUENCE RVETGVLRVG DKVVFMPPGV VGEVRSIEMH YQQLQQAEPG DNIGFAVRGV DATA SEQUENCE SKSDIKRGDV AGHLDKPPTV AEEFEARIFV IWHPSAITVG YTPVIHVHTA DATA SEQUENCE SVSSRIIEIK AKLDPKTGQV VEQNPQFLKA GDAAIVRFKP VKPLVVEKFS DATA SEQUENCE EIPQLGRFAM RDMNRTVGIG IVTDVKPAKV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.599 176.600 -0.002 0.000 1.382 3 E CA 0.000 56.402 56.400 0.003 0.000 0.976 3 E CB 0.000 29.707 29.700 0.011 0.000 0.812 4 K N 2.675 123.068 120.400 -0.011 0.000 2.484 4 K HA 0.342 4.662 4.320 -0.000 0.000 0.280 4 K C -2.203 174.409 176.600 0.021 0.000 1.013 4 K CA -0.979 55.290 56.287 -0.030 0.000 1.029 4 K CB 0.201 32.668 32.500 -0.054 0.000 0.902 4 K HN 0.344 nan 8.250 nan 0.000 0.481 5 P HA -0.065 nan 4.420 nan 0.000 0.270 5 P C -0.841 176.520 177.300 0.101 0.000 1.223 5 P CA 0.063 63.240 63.100 0.128 0.000 0.785 5 P CB 0.483 32.314 31.700 0.218 0.000 0.923 6 H N 2.585 121.631 119.070 -0.041 0.000 2.457 6 H HA 0.563 5.119 4.556 -0.000 0.000 0.335 6 H C -1.046 174.212 175.328 -0.117 0.000 1.115 6 H CA -0.489 55.499 56.048 -0.100 0.000 1.219 6 H CB 0.760 30.506 29.762 -0.026 0.000 1.471 6 H HN 0.312 nan 8.280 nan 0.000 0.491 7 M N 3.206 122.333 119.600 -0.789 0.000 2.550 7 M HA 0.215 4.695 4.480 -0.000 0.000 0.292 7 M C -0.820 175.276 176.300 -0.340 0.000 1.221 7 M CA -1.014 54.020 55.300 -0.443 0.000 0.873 7 M CB 2.293 34.789 32.600 -0.173 0.000 1.727 7 M HN 0.541 nan 8.290 nan 0.000 0.459 8 N N 3.099 121.723 118.700 -0.126 0.000 2.426 8 N HA 0.435 5.175 4.740 -0.000 0.000 0.257 8 N C -1.468 174.051 175.510 0.015 0.000 1.002 8 N CA -0.101 52.950 53.050 0.001 0.000 0.942 8 N CB 1.379 39.910 38.487 0.074 0.000 1.112 8 N HN 0.539 nan 8.380 nan 0.000 0.499 9 L N 2.333 123.561 121.223 0.008 0.000 2.298 9 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 9 L C -0.166 176.682 176.870 -0.036 0.000 1.013 9 L CA -0.831 53.977 54.840 -0.052 0.000 0.824 9 L CB 1.880 43.849 42.059 -0.150 0.000 1.221 9 L HN 0.115 nan 8.230 nan 0.000 0.418 10 V N 5.540 125.432 119.914 -0.038 0.000 2.532 10 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 10 V C -0.226 175.843 176.094 -0.041 0.000 1.041 10 V CA -0.384 61.886 62.300 -0.051 0.000 0.926 10 V CB 2.174 33.967 31.823 -0.051 0.000 0.992 10 V HN 0.404 nan 8.190 nan 0.000 0.457 11 V N 8.241 128.132 119.914 -0.038 0.000 2.333 11 V HA 0.468 4.588 4.120 -0.000 0.000 0.274 11 V C 0.136 176.237 176.094 0.012 0.000 1.028 11 V CA -0.337 61.959 62.300 -0.008 0.000 0.851 11 V CB 0.756 32.582 31.823 0.005 0.000 1.000 11 V HN 0.782 nan 8.190 nan 0.000 0.456 12 I N 1.732 122.330 120.570 0.047 0.000 2.797 12 I HA 1.118 5.287 4.170 -0.000 0.000 0.307 12 I C 0.214 176.482 176.117 0.251 0.000 1.033 12 I CA -0.716 60.660 61.300 0.126 0.000 1.071 12 I CB 2.431 40.471 38.000 0.066 0.000 1.255 12 I HN 0.759 nan 8.210 nan 0.000 0.445 13 G N 1.278 110.368 108.800 0.482 0.000 2.352 13 G HA2 0.069 4.029 3.960 -0.000 0.000 0.305 13 G HA3 0.069 4.029 3.960 -0.000 0.000 0.305 13 G C -1.485 173.355 174.900 -0.100 0.000 1.537 13 G CA -0.868 44.330 45.100 0.164 0.000 0.959 13 G HN 1.054 nan 8.290 nan 0.000 0.668 14 H N -0.035 118.783 119.070 -0.421 0.000 3.016 14 H HA 0.170 4.726 4.556 -0.000 0.000 0.345 14 H C 1.000 175.997 175.328 -0.551 0.000 1.066 14 H CA 1.170 56.835 56.048 -0.639 0.000 1.390 14 H CB 1.347 30.579 29.762 -0.883 0.000 1.344 14 H HN 0.700 nan 8.280 nan 0.000 0.605 15 V N 5.099 124.616 119.914 -0.662 0.000 2.625 15 V HA -0.170 3.950 4.120 -0.000 0.000 0.305 15 V C 0.228 176.305 176.094 -0.029 0.000 1.055 15 V CA 1.062 63.212 62.300 -0.251 0.000 1.209 15 V CB -0.285 31.384 31.823 -0.257 0.000 0.877 15 V HN 1.104 nan 8.190 nan 0.000 0.489 16 D N 3.710 124.164 120.400 0.089 0.000 3.077 16 D HA -0.174 4.466 4.640 -0.000 0.000 0.212 16 D C 0.679 177.143 176.300 0.274 0.000 1.125 16 D CA 1.444 55.550 54.000 0.177 0.000 0.970 16 D CB -1.280 39.629 40.800 0.182 0.000 1.110 16 D HN 0.929 nan 8.370 nan 0.000 0.419 17 H N -0.410 118.721 119.070 0.100 0.000 2.563 17 H HA 0.379 4.935 4.556 -0.000 0.000 0.272 17 H C 1.998 177.359 175.328 0.055 0.000 1.005 17 H CA 1.369 57.465 56.048 0.080 0.000 1.171 17 H CB 0.057 29.881 29.762 0.103 0.000 1.351 17 H HN 0.405 nan 8.280 nan 0.000 0.602 18 G N 0.413 109.316 108.800 0.172 0.000 2.141 18 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.195 18 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.195 18 G C 1.245 176.212 174.900 0.111 0.000 1.012 18 G CA 0.264 45.429 45.100 0.108 0.000 0.696 18 G HN 0.392 nan 8.290 nan 0.000 0.508 19 K N 0.163 120.638 120.400 0.124 0.000 2.032 19 K HA -0.055 4.265 4.320 -0.000 0.000 0.209 19 K C 2.631 179.293 176.600 0.103 0.000 1.048 19 K CA 1.800 58.150 56.287 0.104 0.000 0.927 19 K CB -0.193 32.370 32.500 0.105 0.000 0.712 19 K HN 0.319 nan 8.250 nan 0.000 0.441 20 S N -0.057 115.725 115.700 0.137 0.000 2.387 20 S HA -0.074 4.396 4.470 -0.000 0.000 0.226 20 S C 1.908 176.621 174.600 0.188 0.000 1.026 20 S CA 1.290 59.590 58.200 0.167 0.000 0.972 20 S CB -0.135 63.199 63.200 0.222 0.000 0.814 20 S HN 0.337 nan 8.310 nan 0.000 0.477 21 T N 2.955 117.618 114.554 0.183 0.000 2.652 21 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 21 T C 1.766 176.518 174.700 0.086 0.000 1.039 21 T CA 1.293 63.514 62.100 0.201 0.000 1.153 21 T CB -0.564 68.425 68.868 0.202 0.000 0.863 21 T HN 0.193 nan 8.240 nan 0.000 0.428 22 L N 1.397 122.648 121.223 0.047 0.000 1.997 22 L HA -0.148 4.192 4.340 -0.000 0.000 0.216 22 L C 2.485 179.343 176.870 -0.020 0.000 1.074 22 L CA 1.752 56.579 54.840 -0.021 0.000 0.763 22 L CB -0.874 41.178 42.059 -0.012 0.000 0.890 22 L HN 0.113 nan 8.230 nan 0.000 0.434 23 V N -0.076 119.855 119.914 0.028 0.000 2.295 23 V HA -0.233 3.886 4.120 -0.000 0.000 0.246 23 V C 2.595 178.727 176.094 0.062 0.000 1.049 23 V CA 1.894 64.210 62.300 0.026 0.000 1.024 23 V CB -1.730 30.129 31.823 0.060 0.000 0.648 23 V HN 0.656 nan 8.190 nan 0.000 0.447 24 G N -1.479 107.413 108.800 0.153 0.000 2.421 24 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 24 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 24 G C 1.520 176.602 174.900 0.304 0.000 1.171 24 G CA 1.212 46.474 45.100 0.270 0.000 0.775 24 G HN 0.647 nan 8.290 nan 0.000 0.543 25 H N -0.458 118.546 119.070 -0.109 0.000 2.357 25 H HA 0.108 4.663 4.556 -0.000 0.000 0.301 25 H C 2.488 177.732 175.328 -0.140 0.000 1.082 25 H CA 0.727 56.458 56.048 -0.528 0.000 1.342 25 H CB -0.031 28.972 29.762 -1.266 0.000 1.389 25 H HN 0.195 nan 8.280 nan 0.000 0.511 26 L N 0.348 121.552 121.223 -0.031 0.000 2.042 26 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 26 L C 1.931 178.742 176.870 -0.099 0.000 1.076 26 L CA 1.099 55.864 54.840 -0.125 0.000 0.749 26 L CB -0.255 41.668 42.059 -0.226 0.000 0.893 26 L HN 0.360 nan 8.230 nan 0.000 0.432 27 L N -1.028 120.167 121.223 -0.047 0.000 2.093 27 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 27 L C 2.274 179.272 176.870 0.215 0.000 1.085 27 L CA 1.575 56.419 54.840 0.007 0.000 0.755 27 L CB -1.390 40.697 42.059 0.048 0.000 0.904 27 L HN 0.300 nan 8.230 nan 0.000 0.435 28 Y N 0.466 120.869 120.300 0.171 0.000 2.070 28 Y HA -0.241 4.309 4.550 -0.000 0.000 0.279 28 Y C 2.747 178.747 175.900 0.167 0.000 1.134 28 Y CA 1.603 59.829 58.100 0.209 0.000 1.113 28 Y CB -0.181 38.477 38.460 0.331 0.000 0.981 28 Y HN 0.005 nan 8.280 nan 0.000 0.487 29 R N 0.400 121.006 120.500 0.176 0.000 2.133 29 R HA -0.191 4.149 4.340 -0.000 0.000 0.247 29 R C 2.181 178.454 176.300 -0.045 0.000 1.151 29 R CA 1.633 57.750 56.100 0.029 0.000 0.971 29 R CB -1.080 29.260 30.300 0.067 0.000 0.866 29 R HN 0.465 nan 8.270 nan 0.000 0.447 30 L N -0.252 120.982 121.223 0.018 0.000 2.610 30 L HA 0.062 4.402 4.340 -0.000 0.000 0.232 30 L C 0.838 177.733 176.870 0.042 0.000 1.149 30 L CA 0.643 55.532 54.840 0.082 0.000 0.872 30 L CB -0.290 41.885 42.059 0.193 0.000 0.992 30 L HN 0.401 nan 8.230 nan 0.000 0.447 31 G N -0.588 108.180 108.800 -0.054 0.000 2.248 31 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 31 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 31 G C 0.108 174.915 174.900 -0.155 0.000 1.082 31 G CA 0.068 45.074 45.100 -0.157 0.000 0.863 31 G HN 0.400 nan 8.290 nan 0.000 0.495 32 Y N -1.315 118.983 120.300 -0.005 0.000 2.481 32 Y HA 0.453 5.003 4.550 -0.000 0.000 0.258 32 Y C 1.298 177.247 175.900 0.082 0.000 1.103 32 Y CA -0.272 57.862 58.100 0.056 0.000 1.287 32 Y CB 0.694 39.212 38.460 0.096 0.000 1.108 32 Y HN 0.307 nan 8.280 nan 0.000 0.529 33 I N 1.103 121.813 120.570 0.233 0.000 2.328 33 I HA 0.138 4.308 4.170 -0.000 0.000 0.287 33 I C -0.150 176.091 176.117 0.207 0.000 1.012 33 I CA -1.314 60.141 61.300 0.258 0.000 1.195 33 I CB 0.942 39.179 38.000 0.395 0.000 1.350 33 I HN 0.003 nan 8.210 nan 0.000 0.464 34 E N 4.064 124.352 120.200 0.146 0.000 2.392 34 E HA -0.002 4.348 4.350 -0.000 0.000 0.264 34 E C 0.692 177.381 176.600 0.148 0.000 1.024 34 E CA 0.186 56.649 56.400 0.105 0.000 0.903 34 E CB 0.770 30.510 29.700 0.067 0.000 0.963 34 E HN 0.523 nan 8.360 nan 0.000 0.432 35 E N 2.402 122.684 120.200 0.136 0.000 2.358 35 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 35 E C 2.035 178.679 176.600 0.073 0.000 1.010 35 E CA 1.055 57.552 56.400 0.162 0.000 0.856 35 E CB 0.140 29.932 29.700 0.154 0.000 0.795 35 E HN 0.496 nan 8.360 nan 0.000 0.504 36 K N 1.490 121.922 120.400 0.054 0.000 2.057 36 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 36 K C 1.940 178.556 176.600 0.027 0.000 1.049 36 K CA 1.345 57.651 56.287 0.031 0.000 0.931 36 K CB -0.490 32.027 32.500 0.028 0.000 0.714 36 K HN -0.085 nan 8.250 nan 0.000 0.440 37 K N -0.163 120.263 120.400 0.043 0.000 1.991 37 K HA -0.076 4.244 4.320 -0.000 0.000 0.212 37 K C 2.200 178.805 176.600 0.008 0.000 1.049 37 K CA 1.529 57.841 56.287 0.042 0.000 0.932 37 K CB -0.589 31.953 32.500 0.070 0.000 0.717 37 K HN 0.279 nan 8.250 nan 0.000 0.441 38 L N 1.987 123.197 121.223 -0.022 0.000 2.013 38 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 38 L C 2.638 179.416 176.870 -0.153 0.000 1.073 38 L CA 2.910 57.657 54.840 -0.156 0.000 0.753 38 L CB -0.965 40.903 42.059 -0.318 0.000 0.890 38 L HN 0.221 nan 8.230 nan 0.000 0.432 39 K N -0.446 119.896 120.400 -0.097 0.000 2.032 39 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 39 K C 1.918 178.491 176.600 -0.045 0.000 1.048 39 K CA 1.967 58.209 56.287 -0.075 0.000 0.927 39 K CB -1.161 31.315 32.500 -0.040 0.000 0.712 39 K HN 0.691 nan 8.250 nan 0.000 0.441 40 E N 0.351 120.542 120.200 -0.015 0.000 2.033 40 E HA -0.161 4.189 4.350 -0.000 0.000 0.199 40 E C 2.255 178.874 176.600 0.031 0.000 1.011 40 E CA 1.415 57.824 56.400 0.014 0.000 0.815 40 E CB -0.414 29.305 29.700 0.031 0.000 0.755 40 E HN 0.454 nan 8.360 nan 0.000 0.451 41 L N 0.988 122.234 121.223 0.038 0.000 1.997 41 L HA -0.282 4.058 4.340 -0.000 0.000 0.216 41 L C 2.797 179.666 176.870 -0.002 0.000 1.074 41 L CA 1.623 56.515 54.840 0.086 0.000 0.763 41 L CB -0.529 41.580 42.059 0.082 0.000 0.890 41 L HN 0.253 nan 8.230 nan 0.000 0.434 42 E N 0.204 120.350 120.200 -0.089 0.000 2.085 42 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 42 E C 2.006 178.565 176.600 -0.069 0.000 0.994 42 E CA 1.610 57.938 56.400 -0.119 0.000 0.801 42 E CB 0.029 29.640 29.700 -0.149 0.000 0.743 42 E HN 0.510 nan 8.360 nan 0.000 0.453 43 E N 0.095 120.274 120.200 -0.034 0.000 2.038 43 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 43 E C 2.304 178.912 176.600 0.015 0.000 1.000 43 E CA 1.596 57.990 56.400 -0.008 0.000 0.803 43 E CB -0.067 29.636 29.700 0.004 0.000 0.750 43 E HN 0.382 nan 8.360 nan 0.000 0.448 44 Q N -0.000 119.833 119.800 0.056 0.000 2.119 44 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 44 Q C 2.157 178.229 176.000 0.120 0.000 0.972 44 Q CA 1.179 57.061 55.803 0.133 0.000 0.847 44 Q CB -0.104 28.773 28.738 0.232 0.000 0.903 44 Q HN 0.223 nan 8.270 nan 0.000 0.433 45 A N 1.381 124.161 122.820 -0.067 0.000 1.969 45 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 45 A C 2.271 179.750 177.584 -0.175 0.000 1.169 45 A CA 1.937 53.734 52.037 -0.399 0.000 0.635 45 A CB -0.681 17.945 19.000 -0.623 0.000 0.810 45 A HN 0.347 nan 8.150 nan 0.000 0.445 46 K N 0.060 120.411 120.400 -0.081 0.000 2.186 46 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 46 K C 2.293 178.891 176.600 -0.004 0.000 1.052 46 K CA 1.664 57.928 56.287 -0.038 0.000 0.965 46 K CB -1.264 31.220 32.500 -0.027 0.000 0.746 46 K HN 0.881 nan 8.250 nan 0.000 0.457 47 S N 0.630 116.341 115.700 0.017 0.000 2.365 47 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 47 S C 1.614 176.240 174.600 0.044 0.000 1.039 47 S CA 0.886 59.107 58.200 0.036 0.000 1.033 47 S CB -0.306 62.927 63.200 0.055 0.000 0.887 47 S HN 0.671 nan 8.310 nan 0.000 0.447 48 R N 0.127 120.667 120.500 0.066 0.000 2.527 48 R HA 0.521 4.861 4.340 -0.000 0.000 0.236 48 R C 2.187 178.507 176.300 0.033 0.000 1.257 48 R CA 0.050 56.194 56.100 0.073 0.000 1.088 48 R CB -0.450 29.945 30.300 0.159 0.000 1.396 48 R HN 0.330 nan 8.270 nan 0.000 0.571 49 G N 0.820 109.639 108.800 0.033 0.000 2.421 49 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 49 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 49 G C 0.404 175.304 174.900 -0.000 0.000 1.143 49 G CA 0.298 45.407 45.100 0.016 0.000 0.784 49 G HN 0.205 nan 8.290 nan 0.000 0.541 50 K N 1.847 122.223 120.400 -0.040 0.000 2.989 50 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 50 K C 1.667 178.234 176.600 -0.056 0.000 1.228 50 K CA 0.578 56.844 56.287 -0.034 0.000 1.186 50 K CB -0.456 31.857 32.500 -0.311 0.000 1.409 50 K HN 0.511 nan 8.250 nan 0.000 0.271 51 E N 1.286 121.464 120.200 -0.038 0.000 2.070 51 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 51 E C 1.721 178.263 176.600 -0.098 0.000 1.004 51 E CA 2.136 58.494 56.400 -0.070 0.000 0.805 51 E CB -0.510 29.164 29.700 -0.043 0.000 0.744 51 E HN 0.511 nan 8.360 nan 0.000 0.451 52 S N -1.328 114.257 115.700 -0.191 0.000 2.660 52 S HA 0.219 4.689 4.470 -0.000 0.000 0.223 52 S C 1.123 175.409 174.600 -0.523 0.000 0.963 52 S CA 0.351 58.227 58.200 -0.541 0.000 0.932 52 S CB -0.504 62.236 63.200 -0.766 0.000 0.775 52 S HN 0.405 nan 8.310 nan 0.000 0.531 53 F N 2.191 121.949 119.950 -0.320 0.000 2.664 53 F HA 0.319 4.846 4.527 -0.000 0.000 0.303 53 F C 2.047 177.625 175.800 -0.370 0.000 1.092 53 F CA -0.485 57.286 58.000 -0.382 0.000 1.305 53 F CB 0.118 38.693 39.000 -0.708 0.000 1.054 53 F HN 0.253 nan 8.300 nan 0.000 0.565 54 K N 0.210 120.545 120.400 -0.109 0.000 2.089 54 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 54 K C 1.548 178.101 176.600 -0.079 0.000 1.048 54 K CA 2.092 58.276 56.287 -0.173 0.000 0.926 54 K CB -0.942 31.380 32.500 -0.296 0.000 0.714 54 K HN 0.259 nan 8.250 nan 0.000 0.448 55 F N 1.289 121.299 119.950 0.100 0.000 2.234 55 F HA 0.046 4.573 4.527 -0.000 0.000 0.296 55 F C 2.720 178.633 175.800 0.189 0.000 1.089 55 F CA 0.729 58.785 58.000 0.093 0.000 1.343 55 F CB -0.084 38.965 39.000 0.083 0.000 1.040 55 F HN 0.175 nan 8.300 nan 0.000 0.498 56 A N -1.016 122.062 122.820 0.429 0.000 2.066 56 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 56 A C 1.500 179.418 177.584 0.557 0.000 1.157 56 A CA 0.801 53.107 52.037 0.450 0.000 0.670 56 A CB -0.991 18.304 19.000 0.491 0.000 0.804 56 A HN 0.519 nan 8.150 nan 0.000 0.453 57 W N -0.087 121.343 121.300 0.218 0.000 2.937 57 W HA 0.156 4.816 4.660 -0.000 0.000 0.245 57 W C 1.579 178.162 176.519 0.108 0.000 1.306 57 W CA -0.457 56.972 57.345 0.141 0.000 1.470 57 W CB -0.650 28.878 29.460 0.112 0.000 1.132 57 W HN 0.294 nan 8.180 nan 0.000 0.675 58 I N -0.473 120.295 120.570 0.329 0.000 2.567 58 I HA -0.279 3.891 4.170 -0.000 0.000 0.257 58 I C 1.658 177.891 176.117 0.194 0.000 1.184 58 I CA 1.238 62.677 61.300 0.233 0.000 1.451 58 I CB -0.217 37.927 38.000 0.239 0.000 1.089 58 I HN -0.081 nan 8.210 nan 0.000 0.441 59 L N -1.341 120.004 121.223 0.203 0.000 2.515 59 L HA 0.162 4.502 4.340 -0.000 0.000 0.202 59 L C 0.164 177.093 176.870 0.099 0.000 1.056 59 L CA 0.174 55.103 54.840 0.148 0.000 0.847 59 L CB -0.047 42.102 42.059 0.149 0.000 1.131 59 L HN -0.078 nan 8.230 nan 0.000 0.484 60 D N 1.343 121.812 120.400 0.116 0.000 2.382 60 D HA 0.080 4.720 4.640 -0.000 0.000 0.259 60 D C 0.570 176.775 176.300 -0.157 0.000 1.224 60 D CA 0.481 54.480 54.000 -0.002 0.000 0.894 60 D CB 1.308 42.140 40.800 0.052 0.000 1.127 60 D HN 0.183 nan 8.370 nan 0.000 0.487 61 K N 1.368 121.679 120.400 -0.148 0.000 2.443 61 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 61 K C 0.755 177.238 176.600 -0.195 0.000 1.278 61 K CA -0.167 56.018 56.287 -0.170 0.000 0.925 61 K CB 0.394 32.854 32.500 -0.067 0.000 1.225 61 K HN 0.301 nan 8.250 nan 0.000 0.514 62 M N 2.365 121.871 119.600 -0.157 0.000 2.245 62 M HA -0.072 4.408 4.480 -0.000 0.000 0.335 62 M C 1.461 177.649 176.300 -0.186 0.000 1.155 62 M CA 0.511 55.725 55.300 -0.143 0.000 1.055 62 M CB 0.528 33.051 32.600 -0.128 0.000 1.670 62 M HN 0.075 nan 8.290 nan 0.000 0.447 63 K N 2.560 122.870 120.400 -0.149 0.000 2.059 63 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 63 K C 1.604 178.118 176.600 -0.142 0.000 1.050 63 K CA 2.345 58.542 56.287 -0.149 0.000 0.927 63 K CB -0.069 32.373 32.500 -0.097 0.000 0.714 63 K HN 0.774 nan 8.250 nan 0.000 0.447 64 E N 0.319 120.453 120.200 -0.111 0.000 2.106 64 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 64 E C 1.804 178.340 176.600 -0.107 0.000 0.984 64 E CA 1.224 57.571 56.400 -0.088 0.000 0.806 64 E CB 0.086 29.748 29.700 -0.063 0.000 0.750 64 E HN 0.422 nan 8.360 nan 0.000 0.458 65 E N -0.067 120.047 120.200 -0.143 0.000 2.085 65 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 65 E C 2.186 178.687 176.600 -0.166 0.000 0.994 65 E CA 1.014 57.331 56.400 -0.139 0.000 0.801 65 E CB 0.081 29.688 29.700 -0.155 0.000 0.743 65 E HN 0.209 nan 8.360 nan 0.000 0.453 66 R N 0.338 120.663 120.500 -0.292 0.000 2.161 66 R HA -0.000 4.340 4.340 -0.000 0.000 0.213 66 R C 1.879 178.110 176.300 -0.115 0.000 1.055 66 R CA 0.519 56.372 56.100 -0.412 0.000 0.996 66 R CB -0.061 29.602 30.300 -1.062 0.000 0.901 66 R HN 0.219 nan 8.270 nan 0.000 0.456 67 E N 0.544 120.677 120.200 -0.111 0.000 2.204 67 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 67 E C 2.015 178.591 176.600 -0.040 0.000 0.989 67 E CA 0.625 56.998 56.400 -0.045 0.000 0.824 67 E CB 0.198 29.871 29.700 -0.044 0.000 0.756 67 E HN 0.176 nan 8.360 nan 0.000 0.477 68 R N -0.241 120.226 120.500 -0.054 0.000 2.112 68 R HA 0.065 4.405 4.340 -0.000 0.000 0.216 68 R C 0.952 177.234 176.300 -0.030 0.000 1.080 68 R CA 0.729 56.814 56.100 -0.025 0.000 0.996 68 R CB 0.268 30.570 30.300 0.003 0.000 0.902 68 R HN -0.043 nan 8.270 nan 0.000 0.449 69 G N 2.415 111.135 108.800 -0.134 0.000 2.468 69 G HA2 0.518 4.478 3.960 -0.000 0.000 0.320 69 G HA3 0.518 4.478 3.960 -0.000 0.000 0.320 69 G C -0.220 174.706 174.900 0.043 0.000 1.137 69 G CA -0.449 44.553 45.100 -0.164 0.000 0.984 69 G HN 0.168 nan 8.290 nan 0.000 0.462 70 I N -0.962 119.662 120.570 0.089 0.000 2.892 70 I HA 0.636 4.806 4.170 -0.000 0.000 0.306 70 I C -0.110 176.064 176.117 0.096 0.000 1.078 70 I CA -0.978 60.418 61.300 0.161 0.000 1.032 70 I CB 2.303 40.418 38.000 0.191 0.000 1.229 70 I HN 0.119 nan 8.210 nan 0.000 0.435 71 T N 4.551 119.173 114.554 0.114 0.000 2.834 71 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 71 T C 1.087 175.740 174.700 -0.077 0.000 0.966 71 T CA 0.109 62.230 62.100 0.035 0.000 1.141 71 T CB 0.876 69.784 68.868 0.066 0.000 0.905 71 T HN 0.458 nan 8.240 nan 0.000 0.535 72 I N 1.346 121.775 120.570 -0.234 0.000 2.900 72 I HA 0.124 4.294 4.170 -0.000 0.000 0.251 72 I C 1.034 176.883 176.117 -0.447 0.000 1.102 72 I CA 0.186 61.123 61.300 -0.605 0.000 1.457 72 I CB 0.164 37.727 38.000 -0.728 0.000 1.285 72 I HN 0.621 nan 8.210 nan 0.000 0.459 73 D N 1.395 121.653 120.400 -0.236 0.000 2.272 73 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 73 D C -0.091 176.184 176.300 -0.041 0.000 0.990 73 D CA -0.522 53.412 54.000 -0.110 0.000 0.931 73 D CB 1.369 42.137 40.800 -0.053 0.000 1.195 73 D HN -0.043 nan 8.370 nan 0.000 0.477 74 L N 0.464 121.684 121.223 -0.006 0.000 2.559 74 L HA 0.082 4.422 4.340 -0.000 0.000 0.282 74 L C 0.452 177.304 176.870 -0.031 0.000 1.232 74 L CA 0.521 55.313 54.840 -0.081 0.000 0.885 74 L CB 0.057 42.054 42.059 -0.103 0.000 1.131 74 L HN 0.401 nan 8.230 nan 0.000 0.498 75 T N 3.248 117.723 114.554 -0.132 0.000 2.792 75 T HA 0.519 4.869 4.350 -0.000 0.000 0.280 75 T C -0.522 174.108 174.700 -0.117 0.000 0.990 75 T CA -0.370 61.730 62.100 0.001 0.000 0.960 75 T CB 0.704 69.602 68.868 0.050 0.000 0.939 75 T HN 0.093 nan 8.240 nan 0.000 0.439 76 F N 3.147 123.152 119.950 0.092 0.000 2.420 76 F HA 0.691 5.218 4.527 -0.000 0.000 0.342 76 F C 0.457 176.335 175.800 0.129 0.000 1.113 76 F CA -0.907 57.159 58.000 0.111 0.000 1.059 76 F CB 1.111 40.172 39.000 0.101 0.000 1.128 76 F HN 0.247 nan 8.300 nan 0.000 0.475 77 M N 2.857 122.632 119.600 0.293 0.000 2.664 77 M HA 0.422 4.902 4.480 -0.000 0.000 0.279 77 M C -0.913 175.518 176.300 0.218 0.000 1.275 77 M CA -1.024 54.426 55.300 0.250 0.000 0.829 77 M CB 3.299 36.020 32.600 0.202 0.000 1.727 77 M HN 0.467 nan 8.290 nan 0.000 0.459 78 K N 1.617 122.078 120.400 0.103 0.000 2.385 78 K HA 0.821 5.141 4.320 -0.000 0.000 0.248 78 K C -1.992 174.534 176.600 -0.122 0.000 0.955 78 K CA -0.247 55.947 56.287 -0.155 0.000 0.816 78 K CB 2.474 34.636 32.500 -0.563 0.000 1.250 78 K HN 0.658 nan 8.250 nan 0.000 0.434 79 F N -0.796 118.981 119.950 -0.288 0.000 2.878 79 F HA 0.347 4.874 4.527 -0.000 0.000 0.322 79 F C -2.162 173.625 175.800 -0.021 0.000 1.154 79 F CA -0.980 56.739 58.000 -0.468 0.000 0.896 79 F CB 0.751 39.222 39.000 -0.881 0.000 1.313 79 F HN 0.596 nan 8.300 nan 0.000 0.451 80 E N 0.630 121.024 120.200 0.324 0.000 2.293 80 E HA 0.613 4.963 4.350 -0.000 0.000 0.270 80 E C -1.154 175.699 176.600 0.423 0.000 0.879 80 E CA -0.891 55.641 56.400 0.219 0.000 0.756 80 E CB 2.559 32.346 29.700 0.145 0.000 1.208 80 E HN 0.866 nan 8.360 nan 0.000 0.428 81 T N -0.531 114.227 114.554 0.340 0.000 2.884 81 T HA 0.284 4.634 4.350 -0.000 0.000 0.277 81 T C 0.984 175.778 174.700 0.158 0.000 0.976 81 T CA -0.816 61.487 62.100 0.339 0.000 0.956 81 T CB 1.206 70.351 68.868 0.462 0.000 1.113 81 T HN 0.499 nan 8.240 nan 0.000 0.554 82 K N 0.430 120.898 120.400 0.114 0.000 2.103 82 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 82 K C 1.976 178.542 176.600 -0.058 0.000 1.048 82 K CA 1.817 58.123 56.287 0.032 0.000 0.930 82 K CB -0.185 32.331 32.500 0.026 0.000 0.716 82 K HN 0.766 nan 8.250 nan 0.000 0.444 83 K N -1.580 118.730 120.400 -0.150 0.000 2.412 83 K HA 0.115 4.435 4.320 -0.000 0.000 0.202 83 K C -0.250 175.999 176.600 -0.585 0.000 1.102 83 K CA -0.136 55.916 56.287 -0.392 0.000 1.027 83 K CB 0.416 32.602 32.500 -0.524 0.000 0.931 83 K HN -0.113 nan 8.250 nan 0.000 0.557 84 Y N 0.377 120.584 120.300 -0.155 0.000 2.536 84 Y HA 0.460 5.010 4.550 -0.000 0.000 0.347 84 Y C -0.644 174.936 175.900 -0.534 0.000 1.000 84 Y CA -1.758 56.086 58.100 -0.426 0.000 1.051 84 Y CB 2.069 40.053 38.460 -0.793 0.000 1.259 84 Y HN -0.199 nan 8.280 nan 0.000 0.468 85 V N 3.636 123.340 119.914 -0.351 0.000 2.427 85 V HA 0.579 4.699 4.120 -0.000 0.000 0.286 85 V C -1.464 174.271 176.094 -0.597 0.000 1.034 85 V CA -0.670 61.427 62.300 -0.338 0.000 0.893 85 V CB 0.244 32.050 31.823 -0.029 0.000 0.982 85 V HN 0.610 nan 8.190 nan 0.000 0.452 86 F N 3.524 123.237 119.950 -0.394 0.000 2.458 86 F HA 0.505 5.032 4.527 -0.000 0.000 0.336 86 F C 0.700 176.319 175.800 -0.301 0.000 1.114 86 F CA -0.636 57.049 58.000 -0.526 0.000 0.987 86 F CB 2.348 40.813 39.000 -0.892 0.000 1.130 86 F HN 0.365 nan 8.300 nan 0.000 0.458 87 T N 5.065 119.713 114.554 0.156 0.000 2.728 87 T HA 0.391 4.741 4.350 -0.000 0.000 0.296 87 T C -0.447 174.371 174.700 0.196 0.000 0.940 87 T CA -0.206 62.104 62.100 0.349 0.000 1.013 87 T CB 0.446 69.654 68.868 0.566 0.000 0.912 87 T HN 0.412 nan 8.240 nan 0.000 0.484 88 I N 4.824 125.504 120.570 0.185 0.000 2.339 88 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 88 I C -0.849 175.283 176.117 0.025 0.000 0.994 88 I CA -1.065 60.306 61.300 0.119 0.000 1.191 88 I CB 0.641 38.770 38.000 0.215 0.000 1.343 88 I HN 0.593 nan 8.210 nan 0.000 0.458 89 I N 6.962 127.479 120.570 -0.089 0.000 2.306 89 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 89 I C -0.507 175.485 176.117 -0.208 0.000 1.036 89 I CA -0.437 60.670 61.300 -0.321 0.000 1.221 89 I CB 0.865 38.646 38.000 -0.364 0.000 1.385 89 I HN 0.510 nan 8.210 nan 0.000 0.472 90 D N 6.478 126.768 120.400 -0.183 0.000 2.374 90 D HA 0.400 5.039 4.640 -0.000 0.000 0.240 90 D C -0.051 176.196 176.300 -0.089 0.000 1.229 90 D CA 0.039 53.990 54.000 -0.081 0.000 0.895 90 D CB 0.790 41.581 40.800 -0.014 0.000 1.046 90 D HN 0.581 nan 8.370 nan 0.000 0.498 91 A N 4.693 127.475 122.820 -0.064 0.000 2.269 91 A HA 0.708 5.028 4.320 -0.000 0.000 0.319 91 A C -2.424 175.171 177.584 0.018 0.000 1.110 91 A CA -1.392 50.614 52.037 -0.053 0.000 0.847 91 A CB 0.814 19.756 19.000 -0.098 0.000 1.161 91 A HN 0.527 nan 8.150 nan 0.000 0.497 92 P HA 0.245 nan 4.420 nan 0.000 0.285 92 P C 0.554 177.983 177.300 0.214 0.000 1.259 92 P CA 0.095 63.272 63.100 0.128 0.000 0.794 92 P CB 1.456 33.244 31.700 0.147 0.000 0.940 93 G N 1.524 110.438 108.800 0.189 0.000 2.441 93 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.212 93 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.212 93 G C 0.499 175.412 174.900 0.022 0.000 1.164 93 G CA 0.349 45.514 45.100 0.109 0.000 0.811 93 G HN 0.639 nan 8.290 nan 0.000 0.535 94 H N 0.807 119.893 119.070 0.027 0.000 3.073 94 H HA 0.104 4.660 4.556 -0.000 0.000 0.340 94 H C 2.079 177.379 175.328 -0.047 0.000 1.054 94 H CA 0.640 56.678 56.048 -0.017 0.000 1.372 94 H CB 0.717 30.545 29.762 0.111 0.000 1.314 94 H HN 0.272 nan 8.280 nan 0.000 0.603 95 R N 2.155 122.523 120.500 -0.220 0.000 2.275 95 R HA -0.017 4.323 4.340 -0.000 0.000 0.199 95 R C 0.792 177.086 176.300 -0.009 0.000 0.989 95 R CA 0.978 57.017 56.100 -0.102 0.000 1.016 95 R CB 0.201 30.375 30.300 -0.210 0.000 0.918 95 R HN 0.539 nan 8.270 nan 0.000 0.473 96 D N 0.755 121.231 120.400 0.127 0.000 2.263 96 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 96 D C 0.245 176.150 176.300 -0.659 0.000 0.971 96 D CA 1.139 54.865 54.000 -0.456 0.000 0.867 96 D CB 0.070 40.202 40.800 -1.114 0.000 0.929 96 D HN 0.386 nan 8.370 nan 0.000 0.492 97 F N -1.034 118.985 119.950 0.114 0.000 2.764 97 F HA 0.130 4.657 4.527 -0.000 0.000 0.310 97 F C 1.672 177.510 175.800 0.063 0.000 1.124 97 F CA -0.351 57.691 58.000 0.070 0.000 1.252 97 F CB 0.382 39.411 39.000 0.049 0.000 1.010 97 F HN -0.280 nan 8.300 nan 0.000 0.518 98 V N 1.503 121.512 119.914 0.158 0.000 2.317 98 V HA -0.409 3.711 4.120 -0.000 0.000 0.251 98 V C 2.548 178.672 176.094 0.050 0.000 1.065 98 V CA 2.595 64.956 62.300 0.102 0.000 1.049 98 V CB -0.825 31.027 31.823 0.048 0.000 0.651 98 V HN 0.490 nan 8.190 nan 0.000 0.450 99 K N 0.796 121.252 120.400 0.093 0.000 2.089 99 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 99 K C 1.822 178.506 176.600 0.141 0.000 1.048 99 K CA 2.204 58.581 56.287 0.150 0.000 0.926 99 K CB -0.634 32.021 32.500 0.258 0.000 0.714 99 K HN 0.446 nan 8.250 nan 0.000 0.448 100 N N 0.852 119.641 118.700 0.148 0.000 2.142 100 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 100 N C 1.772 177.306 175.510 0.040 0.000 1.023 100 N CA 1.429 54.540 53.050 0.101 0.000 0.852 100 N CB -0.340 38.200 38.487 0.088 0.000 0.998 100 N HN 0.284 nan 8.380 nan 0.000 0.424 101 M N 1.104 120.705 119.600 0.002 0.000 2.108 101 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 101 M C 1.756 177.999 176.300 -0.096 0.000 1.066 101 M CA 1.279 56.510 55.300 -0.116 0.000 1.107 101 M CB -0.433 31.986 32.600 -0.301 0.000 1.356 101 M HN 0.056 nan 8.290 nan 0.000 0.406 102 I N 0.220 120.758 120.570 -0.054 0.000 2.226 102 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 102 I C 2.489 178.631 176.117 0.041 0.000 1.100 102 I CA 1.964 63.250 61.300 -0.023 0.000 1.374 102 I CB -0.934 37.032 38.000 -0.057 0.000 1.057 102 I HN 0.450 nan 8.210 nan 0.000 0.413 103 T N -1.063 113.537 114.554 0.077 0.000 2.788 103 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 103 T C 1.992 176.753 174.700 0.102 0.000 1.044 103 T CA 1.245 63.412 62.100 0.111 0.000 1.139 103 T CB -1.026 67.922 68.868 0.135 0.000 0.867 103 T HN 0.420 nan 8.240 nan 0.000 0.454 104 G N 1.294 110.126 108.800 0.053 0.000 2.446 104 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 104 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 104 G C 1.952 176.865 174.900 0.020 0.000 1.168 104 G CA 0.888 45.997 45.100 0.014 0.000 0.771 104 G HN 0.783 nan 8.290 nan 0.000 0.551 105 A N 1.008 123.831 122.820 0.004 0.000 2.015 105 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 105 A C 2.678 180.292 177.584 0.050 0.000 1.163 105 A CA 2.267 54.313 52.037 0.015 0.000 0.646 105 A CB -0.574 18.424 19.000 -0.003 0.000 0.806 105 A HN 0.750 nan 8.150 nan 0.000 0.448 106 S N -0.557 115.186 115.700 0.073 0.000 2.453 106 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 106 S C 1.785 176.448 174.600 0.105 0.000 1.005 106 S CA 1.194 59.453 58.200 0.098 0.000 0.949 106 S CB -0.404 62.871 63.200 0.126 0.000 0.774 106 S HN 0.680 nan 8.310 nan 0.000 0.510 107 Q N 0.840 120.707 119.800 0.111 0.000 2.245 107 Q HA 0.307 4.647 4.340 -0.000 0.000 0.201 107 Q C 1.114 177.172 176.000 0.097 0.000 0.955 107 Q CA 0.692 56.570 55.803 0.125 0.000 0.870 107 Q CB -0.193 28.656 28.738 0.186 0.000 0.945 107 Q HN 0.746 nan 8.270 nan 0.000 0.461 108 A N 1.149 124.012 122.820 0.071 0.000 2.332 108 A HA 0.051 4.371 4.320 -0.000 0.000 0.258 108 A C 0.188 177.793 177.584 0.035 0.000 1.087 108 A CA -0.208 51.858 52.037 0.047 0.000 0.802 108 A CB 0.381 19.397 19.000 0.026 0.000 1.042 108 A HN 0.098 nan 8.150 nan 0.000 0.489 109 D N -0.344 120.067 120.400 0.018 0.000 2.423 109 D HA 0.374 5.014 4.640 -0.000 0.000 0.212 109 D C 0.368 176.669 176.300 0.001 0.000 1.060 109 D CA 1.345 55.348 54.000 0.005 0.000 0.872 109 D CB 0.638 41.429 40.800 -0.014 0.000 1.012 109 D HN 0.695 nan 8.370 nan 0.000 0.503 110 A N 0.267 123.084 122.820 -0.004 0.000 2.594 110 A HA 0.722 5.042 4.320 -0.000 0.000 0.295 110 A C -1.558 176.014 177.584 -0.020 0.000 1.071 110 A CA -0.467 51.563 52.037 -0.012 0.000 0.685 110 A CB 1.829 20.807 19.000 -0.038 0.000 1.285 110 A HN 0.030 nan 8.150 nan 0.000 0.405 111 A N 0.869 123.683 122.820 -0.010 0.000 2.365 111 A HA 0.785 5.104 4.320 -0.000 0.000 0.318 111 A C -0.796 176.766 177.584 -0.036 0.000 1.091 111 A CA -0.439 51.591 52.037 -0.012 0.000 0.763 111 A CB 0.649 19.666 19.000 0.028 0.000 1.248 111 A HN 0.766 nan 8.150 nan 0.000 0.442 112 I N 2.505 123.051 120.570 -0.040 0.000 2.312 112 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 112 I C -0.372 175.740 176.117 -0.008 0.000 1.008 112 I CA -0.216 61.059 61.300 -0.042 0.000 1.226 112 I CB 1.259 39.230 38.000 -0.048 0.000 1.371 112 I HN 0.533 nan 8.210 nan 0.000 0.468 113 L N 7.981 129.196 121.223 -0.014 0.000 2.260 113 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 113 L C -0.584 176.316 176.870 0.049 0.000 1.057 113 L CA -0.531 54.328 54.840 0.032 0.000 0.811 113 L CB 1.049 43.117 42.059 0.014 0.000 1.184 113 L HN 0.322 nan 8.230 nan 0.000 0.429 114 V N 5.965 125.934 119.914 0.092 0.000 2.432 114 V HA 0.327 4.447 4.120 -0.000 0.000 0.275 114 V C -0.001 176.213 176.094 0.199 0.000 1.043 114 V CA -0.514 61.855 62.300 0.115 0.000 0.925 114 V CB 1.515 33.407 31.823 0.116 0.000 0.985 114 V HN 0.568 nan 8.190 nan 0.000 0.466 115 V N 1.949 121.974 119.914 0.185 0.000 2.638 115 V HA 0.691 4.811 4.120 -0.000 0.000 0.306 115 V C -0.105 176.015 176.094 0.043 0.000 1.052 115 V CA -0.549 61.902 62.300 0.251 0.000 0.885 115 V CB 1.737 33.727 31.823 0.279 0.000 0.999 115 V HN 0.735 nan 8.190 nan 0.000 0.424 116 S N 3.455 118.990 115.700 -0.274 0.000 2.548 116 S HA 0.634 5.104 4.470 -0.000 0.000 0.277 116 S C 1.220 175.713 174.600 -0.179 0.000 1.315 116 S CA 0.188 58.189 58.200 -0.331 0.000 1.050 116 S CB 1.335 64.154 63.200 -0.634 0.000 0.918 116 S HN 1.635 nan 8.310 nan 0.000 0.497 117 A N 5.678 128.420 122.820 -0.130 0.000 2.081 117 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 117 A C 1.071 178.619 177.584 -0.059 0.000 1.158 117 A CA -0.000 51.964 52.037 -0.121 0.000 0.724 117 A CB -0.203 18.739 19.000 -0.097 0.000 0.826 117 A HN 0.870 nan 8.150 nan 0.000 0.463 118 R N -0.045 120.413 120.500 -0.069 0.000 2.767 118 R HA 0.192 4.532 4.340 -0.000 0.000 0.264 118 R C 0.515 176.814 176.300 -0.002 0.000 0.987 118 R CA 0.792 56.864 56.100 -0.045 0.000 1.114 118 R CB -0.010 30.253 30.300 -0.061 0.000 0.976 118 R HN 0.355 nan 8.270 nan 0.000 0.437 119 K N 1.251 121.651 120.400 0.000 0.000 2.322 119 K HA 0.308 4.628 4.320 -0.000 0.000 0.283 119 K C 1.271 177.881 176.600 0.017 0.000 1.042 119 K CA 0.178 56.477 56.287 0.020 0.000 0.958 119 K CB 0.265 32.767 32.500 0.002 0.000 0.984 119 K HN 0.776 nan 8.250 nan 0.000 0.473 120 G N 0.998 109.817 108.800 0.031 0.000 2.550 120 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.233 120 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.233 120 G C 1.351 176.240 174.900 -0.017 0.000 1.170 120 G CA 0.887 45.988 45.100 0.002 0.000 0.693 120 G HN 0.762 nan 8.290 nan 0.000 0.512 121 E N -0.395 119.800 120.200 -0.008 0.000 2.031 121 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 121 E C 2.136 178.691 176.600 -0.075 0.000 0.994 121 E CA 1.376 57.758 56.400 -0.030 0.000 0.800 121 E CB -0.198 29.459 29.700 -0.072 0.000 0.752 121 E HN 0.599 nan 8.360 nan 0.000 0.447 122 F N 2.377 122.207 119.950 -0.200 0.000 2.161 122 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 122 F C 1.832 177.559 175.800 -0.122 0.000 1.089 122 F CA 1.567 59.462 58.000 -0.175 0.000 1.282 122 F CB 0.004 38.926 39.000 -0.129 0.000 1.010 122 F HN -0.111 nan 8.300 nan 0.000 0.485 123 E N 0.672 120.692 120.200 -0.300 0.000 2.106 123 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 123 E C 2.408 178.791 176.600 -0.362 0.000 0.984 123 E CA 1.171 57.348 56.400 -0.373 0.000 0.806 123 E CB -0.769 28.857 29.700 -0.124 0.000 0.750 123 E HN 0.454 nan 8.360 nan 0.000 0.458 124 A N 0.888 123.530 122.820 -0.296 0.000 1.859 124 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 124 A C 2.516 179.724 177.584 -0.627 0.000 1.209 124 A CA 2.241 54.051 52.037 -0.378 0.000 0.639 124 A CB -1.590 17.210 19.000 -0.333 0.000 0.835 124 A HN 0.378 nan 8.150 nan 0.000 0.450 125 G N -1.748 106.593 108.800 -0.765 0.000 2.469 125 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 125 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 125 G C 1.339 175.980 174.900 -0.431 0.000 1.136 125 G CA 1.392 46.095 45.100 -0.662 0.000 0.759 125 G HN 0.363 nan 8.290 nan 0.000 0.562 126 M N 1.327 120.590 119.600 -0.563 0.000 2.556 126 M HA 0.182 4.662 4.480 -0.000 0.000 0.245 126 M C 1.757 177.787 176.300 -0.450 0.000 1.128 126 M CA -0.258 54.699 55.300 -0.572 0.000 1.069 126 M CB -0.417 31.707 32.600 -0.793 0.000 1.469 126 M HN 0.305 nan 8.290 nan 0.000 0.494 127 S N -0.229 115.248 115.700 -0.372 0.000 2.572 127 S HA -0.067 4.403 4.470 -0.000 0.000 0.262 127 S C 1.551 176.012 174.600 -0.232 0.000 1.375 127 S CA 0.903 58.946 58.200 -0.263 0.000 0.996 127 S CB 0.630 63.702 63.200 -0.214 0.000 0.892 127 S HN 0.442 nan 8.310 nan 0.000 0.562 128 T N -0.144 114.306 114.554 -0.172 0.000 2.803 128 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 128 T C 1.353 175.939 174.700 -0.190 0.000 1.052 128 T CA 1.973 63.982 62.100 -0.152 0.000 1.136 128 T CB -0.554 68.259 68.868 -0.092 0.000 0.864 128 T HN 0.754 nan 8.240 nan 0.000 0.467 129 E N -0.482 119.609 120.200 -0.181 0.000 2.526 129 E HA 0.260 4.610 4.350 -0.000 0.000 0.208 129 E C 0.965 177.479 176.600 -0.145 0.000 0.997 129 E CA -0.304 55.981 56.400 -0.192 0.000 0.961 129 E CB 0.543 30.139 29.700 -0.173 0.000 1.030 129 E HN 0.547 nan 8.360 nan 0.000 0.483 130 G N 0.868 109.591 108.800 -0.127 0.000 2.606 130 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.252 130 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.252 130 G C 0.592 175.466 174.900 -0.043 0.000 1.206 130 G CA -0.250 44.841 45.100 -0.015 0.000 0.861 130 G HN 0.025 nan 8.290 nan 0.000 0.561 131 Q N 0.242 120.071 119.800 0.049 0.000 2.247 131 Q HA 0.045 4.385 4.340 -0.000 0.000 0.204 131 Q C 1.918 177.718 176.000 -0.333 0.000 0.872 131 Q CA 0.262 55.883 55.803 -0.304 0.000 0.951 131 Q CB -0.345 27.991 28.738 -0.670 0.000 1.099 131 Q HN 0.525 nan 8.270 nan 0.000 0.501 132 T N 1.058 115.527 114.554 -0.141 0.000 2.701 132 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 132 T C 1.868 176.536 174.700 -0.053 0.000 1.040 132 T CA 1.076 63.132 62.100 -0.073 0.000 1.147 132 T CB 0.040 68.876 68.868 -0.054 0.000 0.865 132 T HN 0.276 nan 8.240 nan 0.000 0.426 133 R N 0.664 121.055 120.500 -0.183 0.000 2.097 133 R HA -0.122 4.218 4.340 -0.000 0.000 0.236 133 R C 2.638 178.986 176.300 0.080 0.000 1.135 133 R CA 1.778 57.754 56.100 -0.207 0.000 0.934 133 R CB -0.262 29.825 30.300 -0.354 0.000 0.846 133 R HN 0.504 nan 8.270 nan 0.000 0.431 134 E N -0.703 119.500 120.200 0.004 0.000 2.028 134 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 134 E C 1.997 178.720 176.600 0.205 0.000 0.988 134 E CA 1.214 57.661 56.400 0.079 0.000 0.799 134 E CB 0.032 29.734 29.700 0.003 0.000 0.755 134 E HN 0.391 nan 8.360 nan 0.000 0.447 135 H N 0.590 119.692 119.070 0.054 0.000 2.319 135 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 135 H C 2.227 177.626 175.328 0.118 0.000 1.097 135 H CA 1.142 57.228 56.048 0.064 0.000 1.285 135 H CB -0.580 29.210 29.762 0.046 0.000 1.368 135 H HN 0.182 nan 8.280 nan 0.000 0.495 136 L N -0.172 121.229 121.223 0.297 0.000 2.079 136 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 136 L C 2.638 179.709 176.870 0.334 0.000 1.081 136 L CA 0.766 55.791 54.840 0.308 0.000 0.752 136 L CB -0.285 41.989 42.059 0.358 0.000 0.896 136 L HN 0.262 nan 8.230 nan 0.000 0.433 137 L N -0.525 120.881 121.223 0.305 0.000 2.005 137 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 137 L C 2.504 179.469 176.870 0.159 0.000 1.072 137 L CA 1.574 56.551 54.840 0.229 0.000 0.744 137 L CB -0.167 42.030 42.059 0.231 0.000 0.895 137 L HN 0.260 nan 8.230 nan 0.000 0.433 138 L N -0.127 121.186 121.223 0.150 0.000 2.012 138 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 138 L C 2.896 179.814 176.870 0.080 0.000 1.073 138 L CA 1.318 56.213 54.840 0.092 0.000 0.748 138 L CB -0.801 41.298 42.059 0.066 0.000 0.891 138 L HN 0.339 nan 8.230 nan 0.000 0.431 139 A N 0.066 122.953 122.820 0.111 0.000 1.892 139 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 139 A C 2.447 180.080 177.584 0.082 0.000 1.188 139 A CA 2.144 54.243 52.037 0.104 0.000 0.631 139 A CB -0.699 18.391 19.000 0.150 0.000 0.822 139 A HN 0.404 nan 8.150 nan 0.000 0.447 140 R N -0.637 119.913 120.500 0.084 0.000 2.081 140 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 140 R C 2.341 178.612 176.300 -0.049 0.000 1.131 140 R CA 2.219 58.280 56.100 -0.065 0.000 0.960 140 R CB -0.672 29.517 30.300 -0.183 0.000 0.856 140 R HN 0.574 nan 8.270 nan 0.000 0.436 141 T N -1.190 113.357 114.554 -0.012 0.000 3.035 141 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 141 T C 1.357 176.059 174.700 0.004 0.000 1.109 141 T CA 0.807 62.891 62.100 -0.027 0.000 1.119 141 T CB 0.021 68.874 68.868 -0.025 0.000 0.900 141 T HN 0.143 nan 8.240 nan 0.000 0.503 142 M N 0.787 120.406 119.600 0.030 0.000 2.571 142 M HA 0.425 4.905 4.480 -0.000 0.000 0.235 142 M C 1.559 177.895 176.300 0.060 0.000 1.216 142 M CA 0.239 55.573 55.300 0.057 0.000 0.979 142 M CB -0.347 32.287 32.600 0.057 0.000 1.616 142 M HN 0.501 nan 8.290 nan 0.000 0.469 143 G N 0.250 109.077 108.800 0.045 0.000 2.205 143 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.261 143 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.261 143 G C 0.329 175.241 174.900 0.020 0.000 0.980 143 G CA -0.069 45.059 45.100 0.046 0.000 0.632 143 G HN 0.469 nan 8.290 nan 0.000 0.533 144 I N 2.074 122.657 120.570 0.022 0.000 2.494 144 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 144 I C 1.199 177.320 176.117 0.007 0.000 1.106 144 I CA 0.781 62.099 61.300 0.030 0.000 1.369 144 I CB 0.501 38.537 38.000 0.060 0.000 1.410 144 I HN 0.474 nan 8.210 nan 0.000 0.523 145 E N 6.367 126.569 120.200 0.004 0.000 2.869 145 E HA 0.220 4.570 4.350 -0.000 0.000 0.207 145 E C -0.224 176.403 176.600 0.044 0.000 0.986 145 E CA -0.490 55.900 56.400 -0.017 0.000 1.131 145 E CB 0.669 30.341 29.700 -0.047 0.000 1.098 145 E HN 0.628 nan 8.360 nan 0.000 0.459 146 Q N 1.518 121.364 119.800 0.076 0.000 2.709 146 Q HA 0.380 4.720 4.340 -0.000 0.000 0.232 146 Q C -1.930 174.104 176.000 0.057 0.000 0.856 146 Q CA -0.319 55.520 55.803 0.060 0.000 0.788 146 Q CB 1.420 30.173 28.738 0.024 0.000 1.386 146 Q HN 0.541 nan 8.270 nan 0.000 0.453 147 I N 3.184 123.791 120.570 0.063 0.000 2.569 147 I HA 0.604 4.774 4.170 -0.000 0.000 0.296 147 I C -1.473 174.596 176.117 -0.081 0.000 1.028 147 I CA -1.027 60.274 61.300 0.002 0.000 1.082 147 I CB 1.488 39.495 38.000 0.013 0.000 1.264 147 I HN 0.575 nan 8.210 nan 0.000 0.429 148 I N 7.343 127.850 120.570 -0.104 0.000 2.493 148 I HA 0.456 4.626 4.170 -0.000 0.000 0.298 148 I C -0.559 175.446 176.117 -0.188 0.000 0.998 148 I CA -0.901 60.312 61.300 -0.144 0.000 1.137 148 I CB 1.924 39.866 38.000 -0.096 0.000 1.310 148 I HN 0.403 nan 8.210 nan 0.000 0.445 149 V N 4.570 124.308 119.914 -0.294 0.000 2.628 149 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 149 V C -0.508 175.528 176.094 -0.098 0.000 1.045 149 V CA -0.277 61.888 62.300 -0.224 0.000 0.905 149 V CB 1.699 33.332 31.823 -0.317 0.000 0.997 149 V HN 0.811 nan 8.190 nan 0.000 0.436 150 A N 5.390 128.196 122.820 -0.023 0.000 2.291 150 A HA 0.739 5.059 4.320 -0.000 0.000 0.311 150 A C -0.580 177.034 177.584 0.049 0.000 1.224 150 A CA -0.554 51.485 52.037 0.004 0.000 0.821 150 A CB 1.264 20.252 19.000 -0.019 0.000 1.172 150 A HN 1.271 nan 8.150 nan 0.000 0.494 151 V N 3.961 123.930 119.914 0.092 0.000 2.372 151 V HA 0.151 4.271 4.120 -0.000 0.000 0.261 151 V C 0.381 176.494 176.094 0.032 0.000 1.055 151 V CA -0.153 62.206 62.300 0.098 0.000 0.930 151 V CB 0.062 32.027 31.823 0.236 0.000 1.031 151 V HN 0.931 nan 8.190 nan 0.000 0.479 152 N N 3.274 121.975 118.700 0.002 0.000 2.483 152 N HA 0.425 5.165 4.740 -0.000 0.000 0.285 152 N C 0.186 175.668 175.510 -0.047 0.000 1.210 152 N CA -0.701 52.337 53.050 -0.020 0.000 0.931 152 N CB 0.970 39.460 38.487 0.004 0.000 1.220 152 N HN 0.511 nan 8.380 nan 0.000 0.542 153 K N -0.057 120.314 120.400 -0.048 0.000 3.281 153 K HA -0.215 4.105 4.320 -0.000 0.000 0.295 153 K C 0.484 177.009 176.600 -0.126 0.000 1.233 153 K CA 0.369 56.613 56.287 -0.071 0.000 0.866 153 K CB -1.255 31.197 32.500 -0.079 0.000 1.265 153 K HN 0.460 nan 8.250 nan 0.000 0.482 154 M N 1.839 121.349 119.600 -0.151 0.000 2.144 154 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 154 M C 1.918 177.884 176.300 -0.556 0.000 1.067 154 M CA 2.421 57.568 55.300 -0.254 0.000 1.095 154 M CB -0.290 32.190 32.600 -0.201 0.000 1.365 154 M HN 0.375 nan 8.290 nan 0.000 0.406 155 D N -0.216 119.869 120.400 -0.525 0.000 2.178 155 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 155 D C 0.754 176.891 176.300 -0.272 0.000 0.980 155 D CA 0.935 54.609 54.000 -0.544 0.000 0.842 155 D CB -0.925 39.817 40.800 -0.097 0.000 0.948 155 D HN 0.357 nan 8.370 nan 0.000 0.472 156 A N 1.935 124.649 122.820 -0.176 0.000 2.613 156 A HA 0.085 4.405 4.320 -0.000 0.000 0.230 156 A C -1.291 176.245 177.584 -0.080 0.000 1.051 156 A CA -0.450 51.526 52.037 -0.102 0.000 0.754 156 A CB 0.001 18.945 19.000 -0.094 0.000 0.979 156 A HN 0.054 nan 8.150 nan 0.000 0.510 157 P HA -0.169 nan 4.420 nan 0.000 0.216 157 P C 0.619 177.908 177.300 -0.018 0.000 1.153 157 P CA 1.717 64.809 63.100 -0.014 0.000 0.858 157 P CB -0.029 31.666 31.700 -0.009 0.000 0.789 158 D N -1.564 118.818 120.400 -0.030 0.000 2.336 158 D HA -0.019 4.621 4.640 -0.000 0.000 0.229 158 D C 1.153 177.434 176.300 -0.032 0.000 1.061 158 D CA 0.437 54.421 54.000 -0.026 0.000 0.875 158 D CB -0.332 40.453 40.800 -0.026 0.000 0.904 158 D HN 0.117 nan 8.370 nan 0.000 0.525 159 V N -0.617 119.269 119.914 -0.047 0.000 3.103 159 V HA 0.054 4.174 4.120 -0.000 0.000 0.229 159 V C 0.897 176.971 176.094 -0.033 0.000 1.304 159 V CA -0.172 62.098 62.300 -0.050 0.000 1.298 159 V CB -0.711 31.059 31.823 -0.088 0.000 1.093 159 V HN 0.105 nan 8.190 nan 0.000 0.489 160 N N 0.882 119.539 118.700 -0.072 0.000 2.702 160 N HA -0.301 4.439 4.740 -0.000 0.000 0.255 160 N C -0.202 175.431 175.510 0.204 0.000 0.983 160 N CA 1.225 54.285 53.050 0.018 0.000 0.768 160 N CB -1.085 37.475 38.487 0.122 0.000 0.918 160 N HN 0.766 nan 8.380 nan 0.000 0.540 161 Y N -3.741 116.631 120.300 0.120 0.000 4.729 161 Y HA -0.300 4.250 4.550 -0.000 0.000 0.239 161 Y C 0.559 176.641 175.900 0.303 0.000 1.043 161 Y CA 0.719 58.952 58.100 0.222 0.000 2.045 161 Y CB -1.812 36.758 38.460 0.183 0.000 1.599 161 Y HN 0.340 nan 8.280 nan 0.000 0.655 162 D N 1.608 122.138 120.400 0.215 0.000 2.382 162 D HA 0.017 4.657 4.640 -0.000 0.000 0.259 162 D C 1.273 177.495 176.300 -0.131 0.000 1.224 162 D CA 0.748 54.779 54.000 0.052 0.000 0.894 162 D CB 0.952 41.752 40.800 0.001 0.000 1.127 162 D HN 0.542 nan 8.370 nan 0.000 0.487 163 Q N 4.378 123.827 119.800 -0.586 0.000 2.135 163 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 163 Q C 1.670 177.356 176.000 -0.525 0.000 0.981 163 Q CA 1.309 56.328 55.803 -1.306 0.000 0.856 163 Q CB 0.065 27.703 28.738 -1.833 0.000 0.902 163 Q HN 0.544 nan 8.270 nan 0.000 0.425 164 K N 0.207 120.423 120.400 -0.306 0.000 2.032 164 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 164 K C 2.242 178.792 176.600 -0.085 0.000 1.048 164 K CA 1.089 57.277 56.287 -0.164 0.000 0.927 164 K CB -0.167 32.257 32.500 -0.128 0.000 0.712 164 K HN 0.125 nan 8.250 nan 0.000 0.441 165 R N 0.217 120.681 120.500 -0.060 0.000 2.083 165 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 165 R C 2.317 178.616 176.300 -0.002 0.000 1.137 165 R CA 1.767 57.866 56.100 -0.001 0.000 0.951 165 R CB -0.941 29.355 30.300 -0.005 0.000 0.851 165 R HN 0.408 nan 8.270 nan 0.000 0.434 166 Y N 1.473 121.699 120.300 -0.125 0.000 2.097 166 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 166 Y C 2.060 177.880 175.900 -0.133 0.000 1.152 166 Y CA 2.253 60.291 58.100 -0.104 0.000 1.136 166 Y CB -0.322 38.145 38.460 0.013 0.000 0.975 166 Y HN 0.119 nan 8.280 nan 0.000 0.498 167 E N -0.680 119.360 120.200 -0.266 0.000 2.204 167 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 167 E C 1.798 178.243 176.600 -0.257 0.000 0.989 167 E CA 1.027 57.222 56.400 -0.342 0.000 0.824 167 E CB -0.423 29.192 29.700 -0.141 0.000 0.756 167 E HN 0.570 nan 8.360 nan 0.000 0.477 168 F N 0.379 120.153 119.950 -0.293 0.000 2.098 168 F HA -0.164 4.363 4.527 -0.000 0.000 0.294 168 F C 2.093 177.711 175.800 -0.305 0.000 1.107 168 F CA 1.424 59.282 58.000 -0.235 0.000 1.234 168 F CB -0.702 38.197 39.000 -0.168 0.000 1.002 168 F HN -0.008 nan 8.300 nan 0.000 0.472 169 V N -1.058 118.432 119.914 -0.707 0.000 2.343 169 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 169 V C 2.093 177.778 176.094 -0.682 0.000 1.051 169 V CA 1.975 63.648 62.300 -1.045 0.000 1.036 169 V CB -1.672 29.393 31.823 -1.263 0.000 0.654 169 V HN 0.197 nan 8.190 nan 0.000 0.451 170 V N 0.768 120.262 119.914 -0.699 0.000 2.594 170 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 170 V C 2.805 178.505 176.094 -0.656 0.000 1.069 170 V CA 2.368 64.175 62.300 -0.821 0.000 1.082 170 V CB -0.739 30.460 31.823 -1.040 0.000 0.680 170 V HN 0.659 nan 8.190 nan 0.000 0.469 171 S N -0.568 114.844 115.700 -0.480 0.000 2.388 171 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 171 S C 1.979 176.438 174.600 -0.236 0.000 1.034 171 S CA 1.149 59.162 58.200 -0.311 0.000 0.963 171 S CB 0.164 63.243 63.200 -0.201 0.000 0.827 171 S HN 0.390 nan 8.310 nan 0.000 0.481 172 V N 2.831 122.559 119.914 -0.310 0.000 2.220 172 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 172 V C 2.249 178.335 176.094 -0.013 0.000 1.049 172 V CA 1.711 63.914 62.300 -0.162 0.000 1.003 172 V CB -1.023 30.695 31.823 -0.175 0.000 0.634 172 V HN 0.402 nan 8.190 nan 0.000 0.444 173 L N -0.259 120.980 121.223 0.028 0.000 2.010 173 L HA -0.342 3.998 4.340 -0.000 0.000 0.219 173 L C 2.653 179.601 176.870 0.130 0.000 1.077 173 L CA 2.464 57.390 54.840 0.144 0.000 0.773 173 L CB -0.712 41.472 42.059 0.209 0.000 0.892 173 L HN 0.341 nan 8.230 nan 0.000 0.436 174 K N 0.329 120.712 120.400 -0.028 0.000 2.026 174 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 174 K C 2.227 178.851 176.600 0.040 0.000 1.048 174 K CA 1.701 57.980 56.287 -0.014 0.000 0.929 174 K CB -0.045 32.355 32.500 -0.168 0.000 0.713 174 K HN 0.127 nan 8.250 nan 0.000 0.439 175 K N -0.135 120.285 120.400 0.034 0.000 1.991 175 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 175 K C 2.045 178.712 176.600 0.112 0.000 1.049 175 K CA 1.865 58.189 56.287 0.062 0.000 0.932 175 K CB -0.364 32.172 32.500 0.060 0.000 0.717 175 K HN 0.139 nan 8.250 nan 0.000 0.441 176 F N 1.672 121.632 119.950 0.017 0.000 2.095 176 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 176 F C 2.063 177.908 175.800 0.074 0.000 1.104 176 F CA 1.836 59.858 58.000 0.037 0.000 1.232 176 F CB -0.209 38.803 39.000 0.020 0.000 0.987 176 F HN 0.044 nan 8.300 nan 0.000 0.475 177 M N -0.141 119.461 119.600 0.002 0.000 2.108 177 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 177 M C 2.189 178.522 176.300 0.056 0.000 1.066 177 M CA 1.949 57.216 55.300 -0.056 0.000 1.107 177 M CB -0.696 31.865 32.600 -0.065 0.000 1.356 177 M HN 0.039 nan 8.290 nan 0.000 0.406 178 K N 0.999 121.427 120.400 0.047 0.000 2.063 178 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 178 K C 1.914 178.509 176.600 -0.009 0.000 1.048 178 K CA 1.954 58.269 56.287 0.047 0.000 0.928 178 K CB -0.988 31.535 32.500 0.039 0.000 0.713 178 K HN 0.336 nan 8.250 nan 0.000 0.442 179 G N 0.331 109.093 108.800 -0.065 0.000 2.422 179 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 179 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 179 G C 1.319 176.134 174.900 -0.142 0.000 1.146 179 G CA 0.863 45.907 45.100 -0.094 0.000 0.769 179 G HN 0.255 nan 8.290 nan 0.000 0.547 180 L N 0.375 121.468 121.223 -0.216 0.000 2.083 180 L HA 0.215 4.555 4.340 -0.000 0.000 0.209 180 L C 2.376 179.168 176.870 -0.130 0.000 1.083 180 L CA 1.990 56.725 54.840 -0.174 0.000 0.752 180 L CB -0.325 41.669 42.059 -0.109 0.000 0.899 180 L HN 0.478 nan 8.230 nan 0.000 0.433 181 G N -4.333 104.429 108.800 -0.064 0.000 2.273 181 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.162 181 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.162 181 G C -0.000 174.849 174.900 -0.085 0.000 1.006 181 G CA -0.441 44.596 45.100 -0.104 0.000 0.704 181 G HN 0.122 nan 8.290 nan 0.000 0.487 182 Y N 0.883 121.154 120.300 -0.049 0.000 2.457 182 Y HA 0.430 4.980 4.550 -0.000 0.000 0.341 182 Y C 1.244 177.146 175.900 0.003 0.000 1.240 182 Y CA 0.490 58.581 58.100 -0.014 0.000 1.437 182 Y CB 0.538 38.999 38.460 0.002 0.000 1.328 182 Y HN 0.138 nan 8.280 nan 0.000 0.588 183 Q N 1.586 121.492 119.800 0.177 0.000 2.566 183 Q HA 0.203 4.543 4.340 -0.000 0.000 0.221 183 Q C 0.437 176.527 176.000 0.150 0.000 1.195 183 Q CA -0.301 55.577 55.803 0.125 0.000 0.967 183 Q CB 0.311 29.097 28.738 0.080 0.000 1.337 183 Q HN 0.753 nan 8.270 nan 0.000 0.553 184 V N 1.737 121.749 119.914 0.162 0.000 2.720 184 V HA -0.288 3.832 4.120 -0.000 0.000 0.256 184 V C 1.745 177.953 176.094 0.191 0.000 1.082 184 V CA 1.961 64.380 62.300 0.198 0.000 1.101 184 V CB -0.776 31.163 31.823 0.194 0.000 0.693 184 V HN 0.794 nan 8.190 nan 0.000 0.479 185 D N 1.136 121.615 120.400 0.131 0.000 2.182 185 D HA -0.262 4.378 4.640 -0.000 0.000 0.201 185 D C 1.869 178.238 176.300 0.114 0.000 0.986 185 D CA 1.406 55.473 54.000 0.112 0.000 0.847 185 D CB -0.205 40.642 40.800 0.078 0.000 0.942 185 D HN 0.457 nan 8.370 nan 0.000 0.467 186 K N 0.136 120.599 120.400 0.106 0.000 2.103 186 K HA 0.096 4.416 4.320 -0.000 0.000 0.204 186 K C 1.061 177.713 176.600 0.088 0.000 1.052 186 K CA 0.218 56.558 56.287 0.088 0.000 0.945 186 K CB 0.222 32.768 32.500 0.077 0.000 0.722 186 K HN 0.188 nan 8.250 nan 0.000 0.443 187 I N 3.840 124.467 120.570 0.095 0.000 2.471 187 I HA 0.048 4.218 4.170 -0.000 0.000 0.286 187 I C -2.068 174.048 176.117 -0.003 0.000 1.079 187 I CA -2.174 59.126 61.300 -0.001 0.000 1.398 187 I CB 0.613 38.554 38.000 -0.099 0.000 1.403 187 I HN -0.037 nan 8.210 nan 0.000 0.530 188 P HA 0.205 nan 4.420 nan 0.000 0.275 188 P C -1.065 176.129 177.300 -0.176 0.000 1.228 188 P CA -0.082 63.035 63.100 0.029 0.000 0.786 188 P CB 0.543 32.268 31.700 0.042 0.000 0.927 189 F N 1.973 122.041 119.950 0.198 0.000 2.513 189 F HA 0.411 4.938 4.527 -0.000 0.000 0.358 189 F C 0.267 176.238 175.800 0.286 0.000 1.118 189 F CA -0.493 57.633 58.000 0.211 0.000 1.037 189 F CB 0.888 39.998 39.000 0.184 0.000 1.276 189 F HN 0.042 nan 8.300 nan 0.000 0.446 190 I N 5.380 126.069 120.570 0.199 0.000 2.339 190 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 190 I C -2.445 173.554 176.117 -0.196 0.000 0.994 190 I CA -2.238 59.012 61.300 -0.083 0.000 1.191 190 I CB 1.418 39.381 38.000 -0.061 0.000 1.343 190 I HN 0.238 nan 8.210 nan 0.000 0.458 191 P HA 0.150 nan 4.420 nan 0.000 0.276 191 P C -0.719 176.385 177.300 -0.326 0.000 1.264 191 P CA -0.147 62.723 63.100 -0.383 0.000 0.769 191 P CB 0.753 32.075 31.700 -0.629 0.000 0.840 192 V N 0.436 120.252 119.914 -0.163 0.000 3.102 192 V HA 0.780 4.899 4.120 -0.000 0.000 0.312 192 V C -0.574 175.465 176.094 -0.091 0.000 1.135 192 V CA -1.011 61.206 62.300 -0.138 0.000 1.022 192 V CB 2.326 34.074 31.823 -0.125 0.000 1.056 192 V HN 0.327 nan 8.190 nan 0.000 0.436 193 S N 1.289 116.940 115.700 -0.082 0.000 2.622 193 S HA 0.665 5.135 4.470 -0.000 0.000 0.283 193 S C 1.042 175.604 174.600 -0.064 0.000 1.197 193 S CA 0.107 58.283 58.200 -0.041 0.000 1.146 193 S CB 0.762 63.966 63.200 0.007 0.000 1.007 193 S HN 1.700 nan 8.310 nan 0.000 0.478 194 A N 5.088 127.887 122.820 -0.036 0.000 1.978 194 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 194 A C 1.740 179.341 177.584 0.029 0.000 1.170 194 A CA 1.136 53.135 52.037 -0.065 0.000 0.636 194 A CB -0.642 18.359 19.000 0.001 0.000 0.810 194 A HN 0.967 nan 8.150 nan 0.000 0.448 195 W N -0.512 120.758 121.300 -0.050 0.000 2.576 195 W HA 0.023 4.683 4.660 -0.000 0.000 0.270 195 W C 1.301 177.916 176.519 0.159 0.000 1.255 195 W CA 1.457 58.835 57.345 0.055 0.000 1.314 195 W CB 0.178 29.652 29.460 0.024 0.000 1.101 195 W HN 0.232 nan 8.180 nan 0.000 0.595 196 K N -0.522 119.903 120.400 0.042 0.000 2.380 196 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 196 K C 1.113 177.671 176.600 -0.069 0.000 1.070 196 K CA 1.071 57.352 56.287 -0.009 0.000 1.040 196 K CB 0.369 32.929 32.500 0.101 0.000 0.903 196 K HN 0.124 nan 8.250 nan 0.000 0.549 197 G N 0.591 109.213 108.800 -0.296 0.000 2.238 197 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 197 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 197 G C -0.672 174.082 174.900 -0.244 0.000 0.996 197 G CA -0.082 44.750 45.100 -0.447 0.000 0.632 197 G HN 0.359 nan 8.290 nan 0.000 0.503 198 D N 1.494 121.817 120.400 -0.127 0.000 2.581 198 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 198 D C 1.245 177.467 176.300 -0.131 0.000 1.145 198 D CA 1.079 55.030 54.000 -0.081 0.000 0.866 198 D CB 0.176 40.992 40.800 0.026 0.000 1.151 198 D HN 0.277 nan 8.370 nan 0.000 0.500 199 N N 0.944 119.569 118.700 -0.125 0.000 2.778 199 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 199 N C 0.654 176.097 175.510 -0.112 0.000 1.069 199 N CA 0.236 53.215 53.050 -0.120 0.000 0.831 199 N CB -0.690 37.685 38.487 -0.188 0.000 1.142 199 N HN 0.276 nan 8.380 nan 0.000 0.573 200 L N 0.941 122.078 121.223 -0.143 0.000 1.973 200 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 200 L C 2.293 179.103 176.870 -0.100 0.000 1.073 200 L CA 1.936 56.684 54.840 -0.153 0.000 0.746 200 L CB -0.637 41.272 42.059 -0.249 0.000 0.891 200 L HN 0.472 nan 8.230 nan 0.000 0.433 201 I N -3.889 116.628 120.570 -0.089 0.000 3.194 201 I HA 0.191 4.361 4.170 -0.000 0.000 0.271 201 I C 0.614 176.713 176.117 -0.029 0.000 1.150 201 I CA 0.446 61.719 61.300 -0.045 0.000 1.440 201 I CB -0.627 37.351 38.000 -0.037 0.000 1.276 201 I HN 0.139 nan 8.210 nan 0.000 0.457 202 E N 1.633 121.807 120.200 -0.042 0.000 2.264 202 E HA 0.443 4.793 4.350 -0.000 0.000 0.260 202 E C -0.557 176.019 176.600 -0.040 0.000 0.961 202 E CA -1.073 55.307 56.400 -0.033 0.000 0.834 202 E CB 1.543 31.223 29.700 -0.033 0.000 1.230 202 E HN 0.022 nan 8.360 nan 0.000 0.412 203 R N 0.912 121.391 120.500 -0.034 0.000 2.522 203 R HA 0.059 4.399 4.340 -0.000 0.000 0.284 203 R C -0.243 176.016 176.300 -0.069 0.000 1.032 203 R CA 0.136 56.210 56.100 -0.042 0.000 1.049 203 R CB 0.637 30.911 30.300 -0.043 0.000 0.956 203 R HN 0.296 nan 8.270 nan 0.000 0.422 204 S N 3.927 119.571 115.700 -0.094 0.000 2.452 204 S HA 0.264 4.734 4.470 -0.000 0.000 0.284 204 S C -1.415 173.093 174.600 -0.155 0.000 1.171 204 S CA -1.730 56.399 58.200 -0.120 0.000 1.064 204 S CB 1.022 64.148 63.200 -0.123 0.000 0.967 204 S HN 0.301 nan 8.310 nan 0.000 0.484 205 P HA -0.105 nan 4.420 nan 0.000 0.216 205 P C 0.831 178.000 177.300 -0.220 0.000 1.150 205 P CA 1.134 64.143 63.100 -0.152 0.000 0.843 205 P CB 0.070 31.694 31.700 -0.128 0.000 0.787 206 N N -1.297 117.208 118.700 -0.326 0.000 2.512 206 N HA -0.000 4.740 4.740 -0.000 0.000 0.183 206 N C 0.552 175.817 175.510 -0.409 0.000 1.073 206 N CA 0.827 53.543 53.050 -0.556 0.000 0.911 206 N CB -0.049 37.687 38.487 -1.251 0.000 0.964 206 N HN 0.298 nan 8.380 nan 0.000 0.447 207 M N 0.426 119.814 119.600 -0.354 0.000 2.389 207 M HA 0.242 4.722 4.480 -0.000 0.000 0.206 207 M C -2.063 173.857 176.300 -0.633 0.000 0.976 207 M CA -1.518 53.418 55.300 -0.606 0.000 0.648 207 M CB 2.128 34.225 32.600 -0.838 0.000 1.474 207 M HN -0.233 nan 8.290 nan 0.000 0.398 208 P HA -0.132 nan 4.420 nan 0.000 0.225 208 P C 0.921 178.172 177.300 -0.081 0.000 1.148 208 P CA 1.138 64.149 63.100 -0.148 0.000 0.779 208 P CB -0.182 31.502 31.700 -0.026 0.000 0.780 209 W N -2.175 119.145 121.300 0.033 0.000 3.180 209 W HA 0.133 4.793 4.660 -0.000 0.000 0.254 209 W C 1.311 177.874 176.519 0.073 0.000 1.318 209 W CA -0.481 56.889 57.345 0.042 0.000 1.608 209 W CB -1.443 28.045 29.460 0.047 0.000 1.124 209 W HN 0.059 nan 8.180 nan 0.000 0.694 210 Y N 2.965 123.030 120.300 -0.392 0.000 2.314 210 Y HA -0.094 4.456 4.550 -0.000 0.000 0.259 210 Y C 1.466 177.320 175.900 -0.076 0.000 1.052 210 Y CA 2.124 60.002 58.100 -0.371 0.000 1.056 210 Y CB -0.513 37.516 38.460 -0.718 0.000 1.023 210 Y HN -0.085 nan 8.280 nan 0.000 0.471 211 N N -0.685 117.608 118.700 -0.677 0.000 2.984 211 N HA -0.147 4.593 4.740 -0.000 0.000 0.227 211 N C 0.012 175.111 175.510 -0.685 0.000 0.903 211 N CA 0.821 53.552 53.050 -0.532 0.000 0.995 211 N CB -1.849 36.507 38.487 -0.220 0.000 1.065 211 N HN 0.611 nan 8.380 nan 0.000 0.585 212 G N 0.838 108.776 108.800 -1.437 0.000 2.508 212 G HA2 0.545 4.505 3.960 -0.000 0.000 0.278 212 G HA3 0.545 4.505 3.960 -0.000 0.000 0.278 212 G C -2.274 172.408 174.900 -0.363 0.000 1.389 212 G CA -0.414 44.253 45.100 -0.722 0.000 1.050 212 G HN 0.073 nan 8.290 nan 0.000 0.522 213 P HA 0.223 nan 4.420 nan 0.000 0.276 213 P C 0.332 177.757 177.300 0.208 0.000 1.261 213 P CA -0.177 62.973 63.100 0.083 0.000 0.800 213 P CB 0.833 32.584 31.700 0.085 0.000 1.066 214 T N -1.473 113.154 114.554 0.122 0.000 2.788 214 T HA 0.129 4.479 4.350 -0.000 0.000 0.280 214 T C 1.301 176.033 174.700 0.054 0.000 0.984 214 T CA -0.619 61.534 62.100 0.089 0.000 0.972 214 T CB 0.072 68.962 68.868 0.036 0.000 1.039 214 T HN 0.179 nan 8.240 nan 0.000 0.530 215 L N 1.152 122.378 121.223 0.005 0.000 1.970 215 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 215 L C 2.669 179.548 176.870 0.015 0.000 1.071 215 L CA 1.699 56.532 54.840 -0.012 0.000 0.751 215 L CB -1.181 40.844 42.059 -0.056 0.000 0.889 215 L HN 0.691 nan 8.230 nan 0.000 0.432 216 V N -0.036 119.894 119.914 0.026 0.000 2.324 216 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 216 V C 2.531 178.693 176.094 0.113 0.000 1.060 216 V CA 2.203 64.554 62.300 0.084 0.000 1.042 216 V CB -0.798 31.073 31.823 0.080 0.000 0.650 216 V HN 0.544 nan 8.190 nan 0.000 0.450 217 E N 0.055 120.305 120.200 0.083 0.000 2.150 217 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 217 E C 2.287 178.947 176.600 0.099 0.000 0.985 217 E CA 1.177 57.630 56.400 0.088 0.000 0.814 217 E CB -0.265 29.473 29.700 0.064 0.000 0.752 217 E HN 0.633 nan 8.360 nan 0.000 0.466 218 A N 1.069 123.938 122.820 0.083 0.000 1.970 218 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 218 A C 2.158 179.790 177.584 0.081 0.000 1.170 218 A CA 0.561 52.642 52.037 0.073 0.000 0.645 218 A CB -0.437 18.591 19.000 0.045 0.000 0.816 218 A HN 0.092 nan 8.150 nan 0.000 0.447 219 L N -0.253 121.019 121.223 0.081 0.000 2.012 219 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 219 L C 1.532 178.602 176.870 0.333 0.000 1.073 219 L CA 1.523 56.428 54.840 0.109 0.000 0.748 219 L CB -0.603 41.509 42.059 0.088 0.000 0.891 219 L HN 0.285 nan 8.230 nan 0.000 0.431 220 D N -0.567 120.028 120.400 0.326 0.000 2.371 220 D HA -0.103 4.537 4.640 -0.000 0.000 0.234 220 D C 1.904 178.390 176.300 0.311 0.000 1.049 220 D CA 0.562 54.779 54.000 0.362 0.000 0.907 220 D CB 0.251 41.174 40.800 0.205 0.000 0.891 220 D HN 0.354 nan 8.370 nan 0.000 0.531 221 Q N -0.422 119.528 119.800 0.250 0.000 2.350 221 Q HA 0.171 4.511 4.340 -0.000 0.000 0.225 221 Q C 0.794 176.900 176.000 0.178 0.000 0.878 221 Q CA -0.100 55.815 55.803 0.186 0.000 0.935 221 Q CB 0.774 29.582 28.738 0.116 0.000 1.099 221 Q HN 0.334 nan 8.270 nan 0.000 0.527 222 L N 2.047 123.368 121.223 0.163 0.000 2.525 222 L HA -0.068 4.272 4.340 -0.000 0.000 0.278 222 L C 0.276 177.146 176.870 -0.000 0.000 1.218 222 L CA 0.523 55.389 54.840 0.043 0.000 0.878 222 L CB 0.134 42.184 42.059 -0.016 0.000 1.127 222 L HN -0.034 nan 8.230 nan 0.000 0.492 223 Q N 4.251 124.046 119.800 -0.009 0.000 2.307 223 Q HA 0.344 4.684 4.340 -0.000 0.000 0.262 223 Q C -2.274 173.687 176.000 -0.066 0.000 0.961 223 Q CA -1.715 54.092 55.803 0.007 0.000 0.882 223 Q CB 1.647 30.412 28.738 0.046 0.000 1.264 223 Q HN 0.311 nan 8.270 nan 0.000 0.446 224 P HA 0.086 nan 4.420 nan 0.000 0.268 224 P C -2.398 174.888 177.300 -0.023 0.000 1.204 224 P CA -0.893 62.158 63.100 -0.081 0.000 0.768 224 P CB 0.057 31.742 31.700 -0.025 0.000 0.842 225 P HA 0.256 nan 4.420 nan 0.000 0.274 225 P C -0.541 176.757 177.300 -0.003 0.000 1.237 225 P CA -0.511 62.584 63.100 -0.010 0.000 0.793 225 P CB 0.440 32.134 31.700 -0.010 0.000 0.977 226 A N 1.911 124.729 122.820 -0.003 0.000 2.466 226 A HA 0.166 4.486 4.320 -0.000 0.000 0.238 226 A C -0.011 177.568 177.584 -0.009 0.000 1.074 226 A CA 0.170 52.204 52.037 -0.004 0.000 0.774 226 A CB -0.329 18.666 19.000 -0.008 0.000 1.015 226 A HN 0.491 nan 8.150 nan 0.000 0.498 227 K N 2.025 122.419 120.400 -0.009 0.000 2.339 227 K HA 0.425 4.745 4.320 -0.000 0.000 0.264 227 K C -2.701 173.886 176.600 -0.022 0.000 0.986 227 K CA -1.467 54.812 56.287 -0.013 0.000 0.866 227 K CB 1.583 34.078 32.500 -0.008 0.000 1.103 227 K HN 0.384 nan 8.250 nan 0.000 0.441 228 P HA 0.003 nan 4.420 nan 0.000 0.231 228 P C 0.666 177.943 177.300 -0.039 0.000 1.811 228 P CA -0.395 62.682 63.100 -0.037 0.000 1.051 228 P CB 0.197 31.869 31.700 -0.047 0.000 1.951 229 V N -1.989 117.906 119.914 -0.032 0.000 3.129 229 V HA 0.009 4.129 4.120 -0.000 0.000 0.259 229 V C 0.769 176.846 176.094 -0.028 0.000 1.116 229 V CA 1.261 63.542 62.300 -0.031 0.000 1.127 229 V CB -0.747 31.061 31.823 -0.024 0.000 0.742 229 V HN 0.081 nan 8.190 nan 0.000 0.474 230 D N 0.585 120.969 120.400 -0.026 0.000 2.358 230 D HA 0.252 4.892 4.640 -0.000 0.000 0.224 230 D C 0.412 176.697 176.300 -0.026 0.000 1.123 230 D CA 0.351 54.338 54.000 -0.022 0.000 0.833 230 D CB 0.284 41.073 40.800 -0.019 0.000 0.946 230 D HN 0.561 nan 8.370 nan 0.000 0.505 231 K N 0.813 121.192 120.400 -0.036 0.000 2.221 231 K HA 0.428 4.748 4.320 -0.000 0.000 0.243 231 K C -2.591 173.979 176.600 -0.050 0.000 0.968 231 K CA -2.083 54.178 56.287 -0.042 0.000 0.846 231 K CB 1.534 34.003 32.500 -0.053 0.000 1.141 231 K HN -0.232 nan 8.250 nan 0.000 0.434 232 P HA -0.116 nan 4.420 nan 0.000 0.264 232 P C -0.283 176.944 177.300 -0.123 0.000 1.183 232 P CA 0.025 63.087 63.100 -0.063 0.000 0.763 232 P CB 0.382 32.046 31.700 -0.060 0.000 0.807 233 L N 4.334 125.437 121.223 -0.199 0.000 2.593 233 L HA -0.025 4.315 4.340 -0.000 0.000 0.287 233 L C 0.356 177.058 176.870 -0.280 0.000 1.243 233 L CA 0.946 55.588 54.840 -0.330 0.000 0.890 233 L CB -0.005 41.618 42.059 -0.726 0.000 1.134 233 L HN 0.426 nan 8.230 nan 0.000 0.502 234 R N 6.701 127.054 120.500 -0.244 0.000 2.518 234 R HA 0.447 4.787 4.340 -0.000 0.000 0.287 234 R C -1.301 174.882 176.300 -0.196 0.000 1.135 234 R CA -0.442 55.532 56.100 -0.211 0.000 0.967 234 R CB 1.428 31.633 30.300 -0.158 0.000 1.212 234 R HN 0.593 nan 8.270 nan 0.000 0.422 235 I N 3.782 124.234 120.570 -0.196 0.000 2.495 235 I HA 0.282 4.452 4.170 -0.000 0.000 0.277 235 I C -2.317 173.773 176.117 -0.045 0.000 1.045 235 I CA -2.152 59.077 61.300 -0.119 0.000 1.135 235 I CB 2.121 40.027 38.000 -0.157 0.000 1.241 235 I HN 0.050 nan 8.210 nan 0.000 0.469 236 P HA -0.026 nan 4.420 nan 0.000 0.263 236 P C -0.168 177.175 177.300 0.072 0.000 1.195 236 P CA 0.093 63.151 63.100 -0.070 0.000 0.762 236 P CB 0.832 32.486 31.700 -0.077 0.000 0.799 237 V N 3.760 123.740 119.914 0.110 0.000 2.567 237 V HA 0.288 4.408 4.120 -0.000 0.000 0.289 237 V C 0.902 177.041 176.094 0.076 0.000 1.049 237 V CA 0.054 62.428 62.300 0.124 0.000 0.969 237 V CB 1.597 33.506 31.823 0.143 0.000 0.995 237 V HN 0.520 nan 8.190 nan 0.000 0.471 238 Q N 4.942 124.768 119.800 0.043 0.000 2.391 238 Q HA 0.382 4.722 4.340 -0.000 0.000 0.243 238 Q C 0.424 176.413 176.000 -0.018 0.000 0.874 238 Q CA 0.925 56.760 55.803 0.053 0.000 0.950 238 Q CB 0.218 29.012 28.738 0.093 0.000 1.103 238 Q HN 0.906 nan 8.270 nan 0.000 0.544 239 N N -1.803 116.829 118.700 -0.112 0.000 3.046 239 N HA 0.595 5.335 4.740 -0.000 0.000 0.243 239 N C -2.129 173.140 175.510 -0.401 0.000 1.452 239 N CA -0.687 52.188 53.050 -0.291 0.000 0.882 239 N CB 2.204 40.454 38.487 -0.396 0.000 1.425 239 N HN -0.077 nan 8.380 nan 0.000 0.517 240 V N 1.750 121.314 119.914 -0.584 0.000 2.686 240 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 240 V C -1.491 174.232 176.094 -0.618 0.000 1.065 240 V CA -0.559 61.450 62.300 -0.484 0.000 0.894 240 V CB 1.222 32.839 31.823 -0.343 0.000 1.004 240 V HN 0.588 nan 8.190 nan 0.000 0.424 241 Y N 0.860 121.077 120.300 -0.138 0.000 2.562 241 Y HA 0.623 5.173 4.550 -0.000 0.000 0.343 241 Y C 0.571 176.414 175.900 -0.095 0.000 1.025 241 Y CA -0.900 57.139 58.100 -0.100 0.000 1.082 241 Y CB 2.350 40.758 38.460 -0.087 0.000 1.264 241 Y HN 0.476 nan 8.280 nan 0.000 0.478 242 S N 2.315 118.078 115.700 0.105 0.000 2.528 242 S HA 0.529 4.999 4.470 -0.000 0.000 0.303 242 S C -0.830 173.794 174.600 0.040 0.000 1.123 242 S CA -0.477 57.745 58.200 0.036 0.000 1.138 242 S CB -0.594 62.611 63.200 0.008 0.000 0.984 242 S HN 0.399 nan 8.310 nan 0.000 0.474 243 I N 6.027 126.612 120.570 0.026 0.000 2.328 243 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 243 I C -2.021 174.100 176.117 0.007 0.000 1.012 243 I CA -2.492 58.816 61.300 0.013 0.000 1.195 243 I CB 1.388 39.389 38.000 0.002 0.000 1.350 243 I HN 0.315 nan 8.210 nan 0.000 0.464 244 P HA -0.008 nan 4.420 nan 0.000 0.260 244 P C 0.848 178.152 177.300 0.007 0.000 1.185 244 P CA 0.863 63.967 63.100 0.005 0.000 0.763 244 P CB 0.712 32.415 31.700 0.005 0.000 0.776 245 G N 3.011 111.815 108.800 0.007 0.000 2.238 245 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 245 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 245 G C 0.663 175.570 174.900 0.011 0.000 0.996 245 G CA 0.305 45.411 45.100 0.010 0.000 0.632 245 G HN 0.775 nan 8.290 nan 0.000 0.503 246 A N -0.704 122.121 122.820 0.009 0.000 2.340 246 A HA 0.709 5.029 4.320 -0.000 0.000 0.213 246 A C 2.256 179.843 177.584 0.004 0.000 1.299 246 A CA 1.735 53.778 52.037 0.010 0.000 0.994 246 A CB 0.103 19.108 19.000 0.009 0.000 1.132 246 A HN 2.482 nan 8.150 nan 0.000 0.519 247 G N -0.194 108.606 108.800 -0.000 0.000 2.520 247 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.248 247 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.248 247 G C 0.354 175.242 174.900 -0.020 0.000 1.161 247 G CA 0.556 45.651 45.100 -0.008 0.000 0.946 247 G HN 1.745 nan 8.290 nan 0.000 0.565 248 T N -1.277 113.253 114.554 -0.040 0.000 2.758 248 T HA 0.664 5.014 4.350 -0.000 0.000 0.285 248 T C -0.143 174.490 174.700 -0.112 0.000 0.981 248 T CA 0.369 62.425 62.100 -0.072 0.000 0.965 248 T CB 1.248 70.058 68.868 -0.098 0.000 0.927 248 T HN 2.188 nan 8.240 nan 0.000 0.448 249 V N 3.819 123.669 119.914 -0.106 0.000 2.349 249 V HA 0.678 4.798 4.120 -0.000 0.000 0.284 249 V C -2.805 173.146 176.094 -0.238 0.000 1.014 249 V CA -2.702 59.495 62.300 -0.171 0.000 0.826 249 V CB 1.337 33.111 31.823 -0.082 0.000 1.009 249 V HN 0.790 nan 8.190 nan 0.000 0.431 250 P HA 0.223 nan 4.420 nan 0.000 0.269 250 P C -0.496 176.558 177.300 -0.409 0.000 1.209 250 P CA 0.199 63.008 63.100 -0.485 0.000 0.776 250 P CB 1.546 32.855 31.700 -0.651 0.000 0.876 251 V N 1.853 121.673 119.914 -0.156 0.000 2.769 251 V HA 0.910 5.030 4.120 -0.000 0.000 0.312 251 V C 0.667 176.780 176.094 0.033 0.000 1.061 251 V CA -0.136 62.142 62.300 -0.036 0.000 0.931 251 V CB 1.808 33.613 31.823 -0.030 0.000 1.010 251 V HN 1.006 nan 8.190 nan 0.000 0.433 252 G N 2.242 111.096 108.800 0.091 0.000 2.356 252 G HA2 0.450 4.409 3.960 -0.000 0.000 0.294 252 G HA3 0.450 4.409 3.960 -0.000 0.000 0.294 252 G C -1.918 173.029 174.900 0.079 0.000 1.423 252 G CA -0.842 44.322 45.100 0.107 0.000 0.806 252 G HN 0.546 nan 8.290 nan 0.000 0.527 253 R N 0.908 121.450 120.500 0.071 0.000 2.229 253 R HA 0.491 4.831 4.340 -0.000 0.000 0.332 253 R C -0.142 176.162 176.300 0.007 0.000 0.989 253 R CA -0.385 55.746 56.100 0.051 0.000 0.842 253 R CB 1.155 31.511 30.300 0.093 0.000 1.119 253 R HN 0.366 nan 8.270 nan 0.000 0.456 254 V N 5.762 125.654 119.914 -0.036 0.000 2.493 254 V HA -0.044 4.076 4.120 -0.000 0.000 0.292 254 V C 1.284 177.347 176.094 -0.052 0.000 1.016 254 V CA 0.616 62.866 62.300 -0.083 0.000 1.097 254 V CB 0.924 32.680 31.823 -0.112 0.000 0.947 254 V HN 0.774 nan 8.190 nan 0.000 0.479 255 E N 2.304 122.464 120.200 -0.067 0.000 2.244 255 E HA 0.108 4.458 4.350 -0.000 0.000 0.196 255 E C 0.718 177.280 176.600 -0.063 0.000 0.939 255 E CA 0.849 57.220 56.400 -0.048 0.000 0.884 255 E CB 0.821 30.496 29.700 -0.043 0.000 0.850 255 E HN 0.896 nan 8.360 nan 0.000 0.481 256 T N -2.033 112.466 114.554 -0.091 0.000 2.894 256 T HA 0.608 4.958 4.350 -0.000 0.000 0.309 256 T C 0.472 175.103 174.700 -0.115 0.000 1.208 256 T CA -0.405 61.641 62.100 -0.090 0.000 1.016 256 T CB 2.511 71.327 68.868 -0.087 0.000 1.192 256 T HN 0.276 nan 8.240 nan 0.000 0.491 257 G N 0.275 109.021 108.800 -0.090 0.000 2.752 257 G HA2 0.088 4.048 3.960 -0.000 0.000 0.234 257 G HA3 0.088 4.048 3.960 -0.000 0.000 0.234 257 G C -0.829 174.014 174.900 -0.094 0.000 1.367 257 G CA -0.371 44.677 45.100 -0.087 0.000 0.879 257 G HN 1.711 nan 8.290 nan 0.000 0.563 258 V N -0.208 119.663 119.914 -0.071 0.000 2.638 258 V HA 0.663 4.783 4.120 -0.000 0.000 0.306 258 V C 0.070 176.135 176.094 -0.048 0.000 1.052 258 V CA -0.601 61.662 62.300 -0.060 0.000 0.885 258 V CB 1.554 33.363 31.823 -0.023 0.000 0.999 258 V HN 1.112 nan 8.190 nan 0.000 0.424 259 L N 5.847 127.003 121.223 -0.112 0.000 2.289 259 L HA 0.707 5.047 4.340 -0.000 0.000 0.285 259 L C -0.023 176.812 176.870 -0.058 0.000 1.049 259 L CA 0.142 54.914 54.840 -0.115 0.000 0.804 259 L CB 0.919 42.810 42.059 -0.279 0.000 1.195 259 L HN 0.709 nan 8.230 nan 0.000 0.428 260 R N 4.159 124.654 120.500 -0.008 0.000 2.599 260 R HA 0.569 4.909 4.340 -0.000 0.000 0.295 260 R C -1.041 175.256 176.300 -0.005 0.000 0.963 260 R CA -1.167 54.925 56.100 -0.013 0.000 0.883 260 R CB 1.519 31.811 30.300 -0.012 0.000 1.171 260 R HN 0.385 nan 8.270 nan 0.000 0.450 261 V N 2.347 122.260 119.914 -0.001 0.000 2.720 261 V HA 0.050 4.170 4.120 -0.000 0.000 0.307 261 V C 1.517 177.618 176.094 0.012 0.000 1.071 261 V CA 2.113 64.422 62.300 0.015 0.000 1.199 261 V CB 0.645 32.478 31.823 0.018 0.000 0.900 261 V HN 1.176 nan 8.190 nan 0.000 0.494 262 G N 3.432 112.246 108.800 0.023 0.000 2.234 262 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 262 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 262 G C 0.006 174.909 174.900 0.005 0.000 0.997 262 G CA 0.064 45.172 45.100 0.014 0.000 0.623 262 G HN 0.684 nan 8.290 nan 0.000 0.514 263 D N 1.448 121.850 120.400 0.003 0.000 2.400 263 D HA 0.343 4.983 4.640 -0.000 0.000 0.238 263 D C 0.752 177.064 176.300 0.019 0.000 1.157 263 D CA 0.478 54.469 54.000 -0.015 0.000 0.889 263 D CB 0.559 41.380 40.800 0.036 0.000 1.199 263 D HN 0.338 nan 8.370 nan 0.000 0.436 264 K N 0.649 121.049 120.400 -0.001 0.000 2.201 264 K HA 0.400 4.720 4.320 -0.000 0.000 0.278 264 K C -0.390 176.247 176.600 0.062 0.000 1.027 264 K CA -0.742 55.564 56.287 0.031 0.000 0.909 264 K CB 1.518 34.025 32.500 0.011 0.000 1.062 264 K HN 0.250 nan 8.250 nan 0.000 0.465 265 V N -0.262 119.680 119.914 0.046 0.000 2.680 265 V HA 0.518 4.638 4.120 -0.000 0.000 0.309 265 V C -0.538 175.498 176.094 -0.096 0.000 1.052 265 V CA -1.067 61.203 62.300 -0.050 0.000 0.908 265 V CB 1.724 33.443 31.823 -0.174 0.000 1.001 265 V HN 0.468 nan 8.190 nan 0.000 0.431 266 V N 5.453 125.276 119.914 -0.152 0.000 2.398 266 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 266 V C -0.851 175.117 176.094 -0.210 0.000 1.026 266 V CA -0.406 61.844 62.300 -0.084 0.000 0.868 266 V CB 1.128 32.938 31.823 -0.023 0.000 0.982 266 V HN 0.749 nan 8.190 nan 0.000 0.443 267 F N 7.731 127.697 119.950 0.027 0.000 2.404 267 F HA 0.554 5.081 4.527 -0.000 0.000 0.358 267 F C 0.539 176.340 175.800 0.002 0.000 1.120 267 F CA -0.407 57.603 58.000 0.016 0.000 1.144 267 F CB 1.226 40.236 39.000 0.018 0.000 1.133 267 F HN 0.245 nan 8.300 nan 0.000 0.495 268 M N 5.694 125.366 119.600 0.121 0.000 2.478 268 M HA 0.293 4.773 4.480 -0.000 0.000 0.327 268 M C -1.772 174.576 176.300 0.081 0.000 1.187 268 M CA -2.207 53.139 55.300 0.075 0.000 1.022 268 M CB 1.518 34.132 32.600 0.022 0.000 1.629 268 M HN 0.203 nan 8.290 nan 0.000 0.461 269 P HA 0.158 nan 4.420 nan 0.000 0.249 269 P C -1.795 175.535 177.300 0.050 0.000 1.229 269 P CA 0.243 63.371 63.100 0.048 0.000 0.788 269 P CB -0.657 31.065 31.700 0.036 0.000 1.072 270 P HA -0.058 nan 4.420 nan 0.000 0.214 270 P C 1.123 178.454 177.300 0.053 0.000 1.163 270 P CA 2.404 65.532 63.100 0.047 0.000 0.883 270 P CB -0.523 31.203 31.700 0.043 0.000 0.788 271 G N -1.701 107.146 108.800 0.079 0.000 2.141 271 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.164 271 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.164 271 G C -0.017 174.933 174.900 0.083 0.000 1.009 271 G CA -0.126 45.016 45.100 0.069 0.000 0.677 271 G HN 0.569 nan 8.290 nan 0.000 0.508 272 V N -1.001 118.987 119.914 0.122 0.000 2.465 272 V HA 0.857 4.977 4.120 -0.000 0.000 0.279 272 V C 0.353 176.567 176.094 0.201 0.000 1.045 272 V CA -0.819 61.556 62.300 0.125 0.000 0.938 272 V CB 1.773 33.642 31.823 0.077 0.000 0.986 272 V HN 0.580 nan 8.190 nan 0.000 0.467 273 V N 5.133 125.131 119.914 0.140 0.000 2.581 273 V HA 0.989 5.109 4.120 -0.000 0.000 0.303 273 V C 0.765 176.943 176.094 0.140 0.000 1.041 273 V CA 0.413 62.796 62.300 0.139 0.000 0.907 273 V CB 1.302 33.172 31.823 0.079 0.000 0.994 273 V HN 1.392 nan 8.190 nan 0.000 0.442 274 G N 2.172 111.070 108.800 0.164 0.000 2.660 274 G HA2 0.600 4.560 3.960 -0.000 0.000 0.290 274 G HA3 0.600 4.560 3.960 -0.000 0.000 0.290 274 G C -1.754 173.225 174.900 0.132 0.000 1.432 274 G CA -0.472 44.715 45.100 0.144 0.000 0.807 274 G HN 0.657 nan 8.290 nan 0.000 0.485 275 E N 0.007 120.270 120.200 0.106 0.000 2.179 275 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 275 E C -0.555 176.114 176.600 0.115 0.000 0.945 275 E CA -0.648 55.806 56.400 0.090 0.000 0.792 275 E CB 1.959 31.693 29.700 0.057 0.000 1.125 275 E HN 0.187 nan 8.360 nan 0.000 0.397 276 V N 6.374 126.360 119.914 0.119 0.000 2.421 276 V HA 0.059 4.179 4.120 -0.000 0.000 0.271 276 V C 1.450 177.603 176.094 0.099 0.000 1.031 276 V CA 0.181 62.570 62.300 0.147 0.000 1.032 276 V CB 0.435 32.336 31.823 0.130 0.000 1.009 276 V HN 0.726 nan 8.190 nan 0.000 0.477 277 R N 2.904 123.462 120.500 0.097 0.000 2.161 277 R HA 0.114 4.454 4.340 -0.000 0.000 0.213 277 R C 0.461 176.798 176.300 0.061 0.000 1.055 277 R CA 0.928 57.067 56.100 0.065 0.000 0.996 277 R CB 0.322 30.654 30.300 0.053 0.000 0.901 277 R HN 0.813 nan 8.270 nan 0.000 0.456 278 S N -0.489 115.260 115.700 0.083 0.000 2.675 278 S HA 0.338 4.808 4.470 -0.000 0.000 0.297 278 S C -0.938 173.721 174.600 0.099 0.000 1.035 278 S CA -1.014 57.229 58.200 0.071 0.000 0.852 278 S CB 0.810 64.040 63.200 0.051 0.000 1.051 278 S HN 0.066 nan 8.310 nan 0.000 0.451 279 I N 1.890 122.503 120.570 0.072 0.000 2.378 279 I HA 0.625 4.795 4.170 -0.000 0.000 0.291 279 I C 0.001 176.138 176.117 0.033 0.000 0.992 279 I CA -0.321 61.023 61.300 0.073 0.000 1.154 279 I CB 1.794 39.810 38.000 0.026 0.000 1.315 279 I HN 0.876 nan 8.210 nan 0.000 0.448 280 E N 7.436 127.650 120.200 0.023 0.000 2.312 280 E HA 0.737 5.087 4.350 -0.000 0.000 0.267 280 E C -1.422 175.127 176.600 -0.085 0.000 0.894 280 E CA -0.976 55.413 56.400 -0.019 0.000 0.773 280 E CB 2.646 32.339 29.700 -0.012 0.000 1.241 280 E HN 0.622 nan 8.360 nan 0.000 0.432 281 M N 3.913 123.439 119.600 -0.125 0.000 2.265 281 M HA 0.258 4.738 4.480 -0.000 0.000 0.251 281 M C -1.593 174.576 176.300 -0.218 0.000 1.005 281 M CA -0.310 54.829 55.300 -0.268 0.000 0.998 281 M CB 1.088 33.510 32.600 -0.296 0.000 2.070 281 M HN 0.791 nan 8.290 nan 0.000 0.476 282 H N 4.551 123.524 119.070 -0.162 0.000 2.692 282 H HA -0.209 4.347 4.556 -0.000 0.000 0.316 282 H C -0.612 174.713 175.328 -0.006 0.000 1.176 282 H CA 1.900 57.868 56.048 -0.134 0.000 1.142 282 H CB -2.440 27.336 29.762 0.022 0.000 1.475 282 H HN 1.011 nan 8.280 nan 0.000 0.423 283 Y N -3.478 116.879 120.300 0.095 0.000 4.851 283 Y HA -0.342 4.208 4.550 -0.000 0.000 0.235 283 Y C 0.953 176.884 175.900 0.052 0.000 0.998 283 Y CA 1.426 59.564 58.100 0.063 0.000 1.980 283 Y CB -0.936 37.569 38.460 0.075 0.000 1.561 283 Y HN 0.364 nan 8.280 nan 0.000 0.585 284 Q N 1.033 120.920 119.800 0.145 0.000 2.235 284 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 284 Q C 0.028 176.058 176.000 0.050 0.000 0.951 284 Q CA -0.586 55.276 55.803 0.099 0.000 0.890 284 Q CB 1.627 30.418 28.738 0.088 0.000 1.279 284 Q HN 0.472 nan 8.270 nan 0.000 0.444 285 Q N 2.694 122.522 119.800 0.046 0.000 2.294 285 Q HA 0.406 4.746 4.340 -0.000 0.000 0.257 285 Q C -1.102 174.908 176.000 0.015 0.000 0.955 285 Q CA -0.117 55.704 55.803 0.030 0.000 0.936 285 Q CB 0.430 29.187 28.738 0.032 0.000 1.188 285 Q HN 0.513 nan 8.270 nan 0.000 0.420 286 L N 2.621 123.847 121.223 0.004 0.000 2.330 286 L HA 0.320 4.660 4.340 -0.000 0.000 0.271 286 L C 0.770 177.639 176.870 -0.003 0.000 1.013 286 L CA -0.761 54.074 54.840 -0.008 0.000 0.816 286 L CB 1.582 43.624 42.059 -0.029 0.000 1.287 286 L HN 0.687 nan 8.230 nan 0.000 0.435 287 Q N 1.251 121.047 119.800 -0.007 0.000 2.396 287 Q HA 0.088 4.428 4.340 -0.000 0.000 0.209 287 Q C -0.243 175.749 176.000 -0.014 0.000 0.906 287 Q CA 0.578 56.378 55.803 -0.005 0.000 0.927 287 Q CB 0.922 29.657 28.738 -0.004 0.000 1.069 287 Q HN 0.837 nan 8.270 nan 0.000 0.523 288 Q N -1.397 118.388 119.800 -0.025 0.000 2.626 288 Q HA 0.786 5.126 4.340 -0.000 0.000 0.300 288 Q C -1.735 174.231 176.000 -0.057 0.000 0.988 288 Q CA -1.035 54.745 55.803 -0.038 0.000 0.761 288 Q CB 1.681 30.399 28.738 -0.032 0.000 1.494 288 Q HN 0.026 nan 8.270 nan 0.000 0.439 289 A N -0.369 122.404 122.820 -0.079 0.000 2.459 289 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 289 A C -0.987 176.540 177.584 -0.094 0.000 1.039 289 A CA 0.118 52.098 52.037 -0.096 0.000 0.698 289 A CB 1.467 20.392 19.000 -0.124 0.000 1.261 289 A HN 0.929 nan 8.150 nan 0.000 0.405 290 E N 2.231 122.386 120.200 -0.074 0.000 2.259 290 E HA 0.815 5.165 4.350 -0.000 0.000 0.257 290 E C -3.023 173.544 176.600 -0.056 0.000 0.998 290 E CA -2.360 54.004 56.400 -0.061 0.000 0.866 290 E CB -0.058 29.619 29.700 -0.039 0.000 1.220 290 E HN 0.530 nan 8.360 nan 0.000 0.415 291 P HA 0.119 nan 4.420 nan 0.000 0.259 291 P C 0.915 178.215 177.300 0.001 0.000 1.163 291 P CA 2.481 65.562 63.100 -0.032 0.000 0.760 291 P CB 0.483 32.166 31.700 -0.029 0.000 0.762 292 G N 2.248 111.061 108.800 0.021 0.000 2.234 292 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G C -0.040 174.937 174.900 0.129 0.000 0.997 292 G CA -0.339 44.813 45.100 0.087 0.000 0.623 292 G HN 0.499 nan 8.290 nan 0.000 0.514 293 D N 0.989 121.396 120.400 0.011 0.000 2.389 293 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 293 D C -0.072 176.184 176.300 -0.072 0.000 1.128 293 D CA 0.104 54.045 54.000 -0.098 0.000 0.884 293 D CB 0.718 41.438 40.800 -0.132 0.000 1.194 293 D HN 0.178 nan 8.370 nan 0.000 0.441 294 N N 2.749 121.365 118.700 -0.139 0.000 2.621 294 N HA 0.247 4.987 4.740 -0.000 0.000 0.237 294 N C -0.725 174.680 175.510 -0.174 0.000 0.997 294 N CA -0.385 52.616 53.050 -0.082 0.000 0.918 294 N CB 0.315 38.820 38.487 0.031 0.000 1.122 294 N HN 0.416 nan 8.380 nan 0.000 0.510 295 I N -1.159 119.362 120.570 -0.082 0.000 2.846 295 I HA 0.774 4.944 4.170 -0.000 0.000 0.307 295 I C 0.313 176.463 176.117 0.054 0.000 1.053 295 I CA -1.271 60.003 61.300 -0.043 0.000 1.050 295 I CB 2.170 40.177 38.000 0.011 0.000 1.239 295 I HN 0.215 nan 8.210 nan 0.000 0.439 296 G N 3.803 112.621 108.800 0.029 0.000 2.370 296 G HA2 0.620 4.580 3.960 -0.000 0.000 0.317 296 G HA3 0.620 4.580 3.960 -0.000 0.000 0.317 296 G C -1.089 173.902 174.900 0.152 0.000 1.162 296 G CA -0.415 44.711 45.100 0.042 0.000 0.922 296 G HN 0.590 nan 8.290 nan 0.000 0.454 297 F N 2.120 122.073 119.950 0.005 0.000 2.375 297 F HA 0.757 5.284 4.527 -0.000 0.000 0.361 297 F C 0.351 176.181 175.800 0.050 0.000 1.117 297 F CA -2.529 55.485 58.000 0.022 0.000 1.037 297 F CB 0.789 39.804 39.000 0.026 0.000 1.192 297 F HN 0.604 nan 8.300 nan 0.000 0.452 298 A N 3.143 126.000 122.820 0.063 0.000 2.546 298 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 298 A C -0.335 177.296 177.584 0.079 0.000 1.063 298 A CA -0.154 51.896 52.037 0.022 0.000 0.757 298 A CB 0.070 19.090 19.000 0.034 0.000 0.991 298 A HN 0.791 nan 8.150 nan 0.000 0.503 299 V N 4.382 124.319 119.914 0.039 0.000 2.540 299 V HA 0.364 4.484 4.120 -0.000 0.000 0.302 299 V C 0.560 176.691 176.094 0.062 0.000 1.035 299 V CA -0.728 61.635 62.300 0.105 0.000 0.873 299 V CB 1.655 33.578 31.823 0.167 0.000 0.992 299 V HN 1.012 nan 8.190 nan 0.000 0.428 300 R N 3.587 124.133 120.500 0.075 0.000 2.389 300 R HA 0.448 4.788 4.340 -0.000 0.000 0.295 300 R C 0.996 177.322 176.300 0.043 0.000 1.075 300 R CA 0.940 57.069 56.100 0.049 0.000 1.005 300 R CB 0.589 30.918 30.300 0.047 0.000 0.987 300 R HN 1.139 nan 8.270 nan 0.000 0.452 301 G N 2.437 111.251 108.800 0.023 0.000 2.198 301 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 301 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 301 G C -0.428 174.479 174.900 0.012 0.000 1.025 301 G CA 0.262 45.372 45.100 0.017 0.000 0.769 301 G HN 0.476 nan 8.290 nan 0.000 0.507 302 V N 0.268 120.181 119.914 -0.002 0.000 2.495 302 V HA 0.740 4.860 4.120 -0.000 0.000 0.298 302 V C 0.702 176.756 176.094 -0.067 0.000 1.031 302 V CA -0.050 62.229 62.300 -0.035 0.000 0.871 302 V CB 1.801 33.592 31.823 -0.053 0.000 0.988 302 V HN 0.634 nan 8.190 nan 0.000 0.432 303 S N 3.230 118.886 115.700 -0.074 0.000 2.632 303 S HA 0.260 4.730 4.470 -0.000 0.000 0.271 303 S C 1.111 175.642 174.600 -0.116 0.000 1.260 303 S CA -0.247 57.908 58.200 -0.076 0.000 1.010 303 S CB 1.072 64.238 63.200 -0.057 0.000 0.965 303 S HN 0.834 nan 8.310 nan 0.000 0.534 304 K N 1.402 121.737 120.400 -0.107 0.000 2.283 304 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 304 K C 1.524 178.042 176.600 -0.137 0.000 1.048 304 K CA 1.602 57.808 56.287 -0.136 0.000 0.948 304 K CB -0.320 32.115 32.500 -0.108 0.000 0.742 304 K HN 0.640 nan 8.250 nan 0.000 0.458 305 S N -0.605 115.032 115.700 -0.104 0.000 2.575 305 S HA 0.042 4.512 4.470 -0.000 0.000 0.215 305 S C 0.722 175.267 174.600 -0.092 0.000 0.966 305 S CA -0.015 58.131 58.200 -0.090 0.000 0.911 305 S CB 0.241 63.403 63.200 -0.063 0.000 0.780 305 S HN 0.236 nan 8.310 nan 0.000 0.514 306 D N 2.075 122.405 120.400 -0.116 0.000 2.213 306 D HA 0.228 4.868 4.640 -0.000 0.000 0.205 306 D C 0.914 177.132 176.300 -0.136 0.000 0.961 306 D CA 0.673 54.609 54.000 -0.108 0.000 0.853 306 D CB 0.211 40.947 40.800 -0.107 0.000 0.967 306 D HN 0.692 nan 8.370 nan 0.000 0.496 307 I N -2.022 118.422 120.570 -0.209 0.000 2.865 307 I HA 0.555 4.725 4.170 -0.000 0.000 0.302 307 I C -0.907 175.084 176.117 -0.209 0.000 1.140 307 I CA -1.055 60.095 61.300 -0.251 0.000 1.021 307 I CB 2.790 40.464 38.000 -0.543 0.000 1.233 307 I HN -0.290 nan 8.210 nan 0.000 0.427 308 K N 2.470 122.782 120.400 -0.146 0.000 2.533 308 K HA 0.451 4.771 4.320 -0.000 0.000 0.284 308 K C -1.087 175.475 176.600 -0.063 0.000 1.025 308 K CA -1.133 55.084 56.287 -0.116 0.000 0.900 308 K CB 1.529 33.978 32.500 -0.084 0.000 1.519 308 K HN 0.773 nan 8.250 nan 0.000 0.432 309 R N 0.022 120.490 120.500 -0.053 0.000 2.583 309 R HA 0.104 4.444 4.340 -0.000 0.000 0.274 309 R C 0.548 176.873 176.300 0.042 0.000 0.998 309 R CA 2.159 58.260 56.100 0.001 0.000 1.081 309 R CB -0.459 29.845 30.300 0.007 0.000 0.940 309 R HN 0.984 nan 8.270 nan 0.000 0.413 310 G N 2.856 111.716 108.800 0.101 0.000 2.254 310 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 310 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 310 G C -0.297 174.701 174.900 0.164 0.000 1.003 310 G CA 0.150 45.346 45.100 0.160 0.000 0.622 310 G HN 0.688 nan 8.290 nan 0.000 0.507 311 D N 0.243 120.705 120.400 0.102 0.000 2.357 311 D HA 0.494 5.134 4.640 -0.000 0.000 0.242 311 D C 0.266 176.627 176.300 0.101 0.000 1.153 311 D CA 0.350 54.419 54.000 0.114 0.000 0.918 311 D CB 1.879 42.761 40.800 0.137 0.000 1.181 311 D HN 0.245 nan 8.370 nan 0.000 0.435 312 V N 0.949 120.904 119.914 0.067 0.000 2.525 312 V HA 0.504 4.624 4.120 -0.000 0.000 0.299 312 V C 0.044 176.099 176.094 -0.066 0.000 1.034 312 V CA -0.961 61.312 62.300 -0.045 0.000 0.863 312 V CB 1.586 33.289 31.823 -0.200 0.000 0.999 312 V HN 0.680 nan 8.190 nan 0.000 0.423 313 A N 3.534 126.263 122.820 -0.151 0.000 2.327 313 A HA 0.931 5.251 4.320 -0.000 0.000 0.283 313 A C 0.511 177.869 177.584 -0.377 0.000 1.127 313 A CA 0.464 52.215 52.037 -0.476 0.000 0.810 313 A CB 0.955 19.547 19.000 -0.680 0.000 1.066 313 A HN 1.254 nan 8.150 nan 0.000 0.492 314 G N 0.154 108.727 108.800 -0.378 0.000 2.749 314 G HA2 0.554 4.514 3.960 -0.000 0.000 0.300 314 G HA3 0.554 4.514 3.960 -0.000 0.000 0.300 314 G C -1.319 173.420 174.900 -0.269 0.000 1.352 314 G CA -0.623 44.275 45.100 -0.336 0.000 0.789 314 G HN 0.713 nan 8.290 nan 0.000 0.509 315 H N 0.477 119.463 119.070 -0.140 0.000 2.482 315 H HA 0.329 4.885 4.556 -0.000 0.000 0.344 315 H C 1.321 176.600 175.328 -0.082 0.000 1.151 315 H CA -0.911 55.071 56.048 -0.109 0.000 1.300 315 H CB 1.864 31.571 29.762 -0.091 0.000 1.494 315 H HN 0.121 nan 8.280 nan 0.000 0.542 316 L N 1.390 122.660 121.223 0.078 0.000 2.081 316 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 316 L C 1.866 178.745 176.870 0.016 0.000 1.080 316 L CA 1.844 56.698 54.840 0.023 0.000 0.754 316 L CB -0.613 41.450 42.059 0.006 0.000 0.893 316 L HN 0.736 nan 8.230 nan 0.000 0.433 317 D N -0.371 120.041 120.400 0.020 0.000 2.137 317 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 317 D C 0.691 176.997 176.300 0.010 0.000 0.970 317 D CA 0.747 54.752 54.000 0.008 0.000 0.837 317 D CB -0.016 40.782 40.800 -0.003 0.000 0.981 317 D HN 0.183 nan 8.370 nan 0.000 0.475 318 K N 1.713 122.126 120.400 0.021 0.000 2.602 318 K HA 0.354 4.674 4.320 -0.000 0.000 0.201 318 K C -2.606 173.983 176.600 -0.018 0.000 1.070 318 K CA -1.645 54.643 56.287 0.002 0.000 1.026 318 K CB 1.737 34.238 32.500 0.002 0.000 1.534 318 K HN 0.189 nan 8.250 nan 0.000 0.560 319 P HA 0.238 nan 4.420 nan 0.000 0.278 319 P C -2.585 174.688 177.300 -0.045 0.000 1.238 319 P CA -1.774 61.304 63.100 -0.037 0.000 0.794 319 P CB -0.026 31.663 31.700 -0.019 0.000 0.955 320 P HA 0.020 nan 4.420 nan 0.000 0.261 320 P C -0.286 176.993 177.300 -0.034 0.000 1.183 320 P CA 0.486 63.547 63.100 -0.065 0.000 0.761 320 P CB -0.286 31.361 31.700 -0.089 0.000 0.785 321 T N 2.818 117.357 114.554 -0.025 0.000 2.902 321 T HA 0.149 4.499 4.350 -0.000 0.000 0.301 321 T C 0.396 175.094 174.700 -0.002 0.000 1.012 321 T CA -0.112 61.984 62.100 -0.007 0.000 1.151 321 T CB 0.123 68.990 68.868 -0.001 0.000 0.946 321 T HN 0.053 nan 8.240 nan 0.000 0.542 322 V N 2.965 122.885 119.914 0.010 0.000 2.370 322 V HA 0.573 4.693 4.120 -0.000 0.000 0.279 322 V C 0.420 176.534 176.094 0.032 0.000 1.029 322 V CA -1.059 61.252 62.300 0.018 0.000 0.870 322 V CB 1.169 33.006 31.823 0.023 0.000 0.984 322 V HN 1.066 nan 8.190 nan 0.000 0.451 323 A N 3.360 126.202 122.820 0.037 0.000 2.269 323 A HA 0.393 4.713 4.320 -0.000 0.000 0.302 323 A C 1.049 178.700 177.584 0.111 0.000 1.266 323 A CA -0.310 51.779 52.037 0.087 0.000 0.894 323 A CB 0.337 19.403 19.000 0.111 0.000 1.147 323 A HN 0.974 nan 8.150 nan 0.000 0.537 324 E N 2.217 122.474 120.200 0.096 0.000 2.072 324 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 324 E C 0.120 176.781 176.600 0.102 0.000 0.982 324 E CA 1.129 57.578 56.400 0.082 0.000 0.803 324 E CB 0.182 29.917 29.700 0.059 0.000 0.755 324 E HN 0.845 nan 8.360 nan 0.000 0.453 325 E N -1.272 119.006 120.200 0.131 0.000 2.429 325 E HA 0.405 4.755 4.350 -0.000 0.000 0.276 325 E C -1.274 175.480 176.600 0.256 0.000 0.953 325 E CA -0.767 55.711 56.400 0.131 0.000 0.787 325 E CB 1.886 31.621 29.700 0.057 0.000 1.307 325 E HN 0.107 nan 8.360 nan 0.000 0.458 326 F N -1.301 118.702 119.950 0.088 0.000 2.631 326 F HA 0.561 5.088 4.527 -0.000 0.000 0.308 326 F C -0.837 175.054 175.800 0.152 0.000 1.097 326 F CA -1.040 57.018 58.000 0.098 0.000 0.952 326 F CB 1.402 40.439 39.000 0.061 0.000 1.307 326 F HN 0.331 nan 8.300 nan 0.000 0.450 327 E N 1.927 122.293 120.200 0.278 0.000 2.242 327 E HA 0.773 5.123 4.350 -0.000 0.000 0.275 327 E C -1.401 175.421 176.600 0.369 0.000 1.002 327 E CA -0.981 55.539 56.400 0.200 0.000 0.841 327 E CB 1.729 31.513 29.700 0.140 0.000 1.109 327 E HN 1.072 nan 8.360 nan 0.000 0.394 328 A N 3.990 127.010 122.820 0.335 0.000 2.572 328 A HA 0.470 4.790 4.320 -0.000 0.000 0.295 328 A C -1.245 176.514 177.584 0.292 0.000 1.072 328 A CA -0.776 51.534 52.037 0.455 0.000 0.691 328 A CB 1.575 21.077 19.000 0.838 0.000 1.291 328 A HN 0.684 nan 8.150 nan 0.000 0.404 329 R N 2.026 122.657 120.500 0.219 0.000 2.215 329 R HA 0.618 4.958 4.340 -0.000 0.000 0.336 329 R C -0.670 175.694 176.300 0.106 0.000 0.996 329 R CA -0.279 55.894 56.100 0.122 0.000 0.847 329 R CB 0.151 30.480 30.300 0.049 0.000 1.127 329 R HN 0.799 nan 8.270 nan 0.000 0.465 330 I N 0.685 121.342 120.570 0.144 0.000 2.846 330 I HA 0.651 4.821 4.170 -0.000 0.000 0.307 330 I C -1.548 174.677 176.117 0.179 0.000 1.053 330 I CA -1.153 60.234 61.300 0.145 0.000 1.050 330 I CB 2.080 40.238 38.000 0.264 0.000 1.239 330 I HN 0.510 nan 8.210 nan 0.000 0.439 331 F N 4.135 124.084 119.950 -0.003 0.000 2.518 331 F HA 0.611 5.138 4.527 0.000 0.000 0.323 331 F C -1.023 174.802 175.800 0.042 0.000 1.129 331 F CA -0.845 57.157 58.000 0.005 0.000 0.920 331 F CB 1.810 40.797 39.000 -0.020 0.000 1.160 331 F HN 0.265 nan 8.300 nan 0.000 0.440 332 V N 8.190 127.710 119.914 -0.656 0.000 2.387 332 V HA 0.035 4.155 4.120 -0.000 0.000 0.260 332 V C 1.283 177.012 176.094 -0.607 0.000 1.054 332 V CA -0.061 61.965 62.300 -0.456 0.000 0.967 332 V CB 0.388 32.013 31.823 -0.330 0.000 1.036 332 V HN 0.761 nan 8.190 nan 0.000 0.481 333 I N 3.573 124.045 120.570 -0.164 0.000 2.333 333 I HA 0.050 4.220 4.170 -0.000 0.000 0.246 333 I C 0.499 176.733 176.117 0.194 0.000 1.106 333 I CA 1.275 62.613 61.300 0.062 0.000 1.411 333 I CB -0.057 38.084 38.000 0.234 0.000 1.082 333 I HN 0.768 nan 8.210 nan 0.000 0.420 334 W N 0.523 121.827 121.300 0.007 0.000 3.707 334 W HA 0.443 5.103 4.660 -0.000 0.000 0.294 334 W C -1.146 175.450 176.519 0.127 0.000 1.248 334 W CA -0.465 56.910 57.345 0.051 0.000 1.217 334 W CB 0.741 30.238 29.460 0.061 0.000 1.306 334 W HN -0.048 nan 8.180 nan 0.000 0.532 335 H N 5.390 123.789 119.070 -1.119 0.000 3.140 335 H HA 0.179 4.735 4.556 -0.000 0.000 0.336 335 H C -2.184 172.454 175.328 -1.151 0.000 1.142 335 H CA -0.972 54.377 56.048 -1.165 0.000 1.308 335 H CB 2.732 32.185 29.762 -0.515 0.000 1.970 335 H HN 0.287 nan 8.280 nan 0.000 0.521 336 P HA 0.096 nan 4.420 nan 0.000 0.229 336 P C 0.164 177.227 177.300 -0.395 0.000 1.160 336 P CA 0.689 63.365 63.100 -0.707 0.000 0.777 336 P CB 0.809 32.200 31.700 -0.515 0.000 0.814 337 S N -1.562 113.969 115.700 -0.281 0.000 4.341 337 S HA 0.700 5.170 4.470 -0.000 0.000 0.220 337 S C -0.593 174.004 174.600 -0.006 0.000 1.133 337 S CA -0.225 57.913 58.200 -0.103 0.000 1.679 337 S CB 0.139 63.285 63.200 -0.090 0.000 1.237 337 S HN 0.015 nan 8.310 nan 0.000 0.744 338 A N 0.961 123.738 122.820 -0.072 0.000 2.343 338 A HA 0.778 5.098 4.320 -0.000 0.000 0.316 338 A C -0.966 176.448 177.584 -0.284 0.000 1.104 338 A CA -0.521 51.408 52.037 -0.181 0.000 0.768 338 A CB 0.322 19.058 19.000 -0.439 0.000 1.213 338 A HN 0.575 nan 8.150 nan 0.000 0.456 339 I N 2.788 123.088 120.570 -0.451 0.000 2.371 339 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 339 I C 0.758 176.737 176.117 -0.230 0.000 1.028 339 I CA 0.175 61.089 61.300 -0.643 0.000 1.345 339 I CB 1.532 39.061 38.000 -0.785 0.000 1.407 339 I HN 0.841 nan 8.210 nan 0.000 0.501 340 T N 2.252 116.722 114.554 -0.141 0.000 2.864 340 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 340 T C -0.180 174.521 174.700 0.000 0.000 1.082 340 T CA -0.831 61.255 62.100 -0.024 0.000 1.009 340 T CB 1.460 70.333 68.868 0.008 0.000 1.234 340 T HN 0.126 nan 8.240 nan 0.000 0.526 341 V N 1.673 121.580 119.914 -0.011 0.000 2.720 341 V HA 0.366 4.486 4.120 -0.000 0.000 0.307 341 V C 1.840 177.947 176.094 0.022 0.000 1.071 341 V CA 2.000 64.290 62.300 -0.017 0.000 1.199 341 V CB -0.004 31.802 31.823 -0.027 0.000 0.900 341 V HN 1.573 nan 8.190 nan 0.000 0.494 342 G N 3.784 112.600 108.800 0.027 0.000 2.259 342 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 342 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 342 G C 0.067 175.022 174.900 0.093 0.000 1.001 342 G CA 0.122 45.249 45.100 0.046 0.000 0.627 342 G HN 0.965 nan 8.290 nan 0.000 0.501 343 Y N 3.151 123.444 120.300 -0.012 0.000 2.650 343 Y HA 0.458 5.008 4.550 -0.000 0.000 0.331 343 Y C 0.212 176.146 175.900 0.057 0.000 1.165 343 Y CA 1.186 59.297 58.100 0.019 0.000 1.473 343 Y CB 0.666 39.119 38.460 -0.010 0.000 1.224 343 Y HN 0.049 nan 8.280 nan 0.000 0.533 344 T N 9.645 123.995 114.554 -0.341 0.000 3.253 344 T HA 0.283 4.633 4.350 -0.000 0.000 0.391 344 T C -2.526 171.957 174.700 -0.363 0.000 1.527 344 T CA -1.108 60.842 62.100 -0.250 0.000 1.268 344 T CB 0.446 69.256 68.868 -0.096 0.000 1.126 344 T HN 0.488 nan 8.240 nan 0.000 0.620 345 P HA 0.448 nan 4.420 nan 0.000 0.284 345 P C -0.499 176.760 177.300 -0.069 0.000 1.292 345 P CA -0.580 62.383 63.100 -0.227 0.000 0.800 345 P CB 0.993 32.634 31.700 -0.100 0.000 1.188 346 V N 1.562 121.476 119.914 -0.001 0.000 2.461 346 V HA 0.121 4.241 4.120 -0.000 0.000 0.275 346 V C 0.665 176.734 176.094 -0.042 0.000 1.047 346 V CA -0.364 61.905 62.300 -0.053 0.000 0.955 346 V CB 0.218 32.008 31.823 -0.055 0.000 0.988 346 V HN 0.299 nan 8.190 nan 0.000 0.471 347 I N 5.100 125.566 120.570 -0.172 0.000 2.312 347 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 347 I C 0.299 176.279 176.117 -0.228 0.000 1.031 347 I CA -0.071 61.123 61.300 -0.177 0.000 1.293 347 I CB 0.494 38.264 38.000 -0.384 0.000 1.403 347 I HN 0.588 nan 8.210 nan 0.000 0.484 348 H N 6.312 125.386 119.070 0.006 0.000 2.685 348 H HA 0.445 5.000 4.556 -0.000 0.000 0.286 348 H C -0.541 174.773 175.328 -0.025 0.000 1.102 348 H CA -0.393 55.647 56.048 -0.014 0.000 1.254 348 H CB 1.462 31.248 29.762 0.041 0.000 1.397 348 H HN 0.311 nan 8.280 nan 0.000 0.473 349 V N 1.674 121.501 119.914 -0.145 0.000 2.604 349 V HA 0.206 4.326 4.120 -0.000 0.000 0.305 349 V C 0.556 176.285 176.094 -0.608 0.000 1.043 349 V CA -1.080 61.065 62.300 -0.258 0.000 0.888 349 V CB 1.491 33.079 31.823 -0.392 0.000 0.995 349 V HN 1.098 nan 8.190 nan 0.000 0.429 350 H N 2.668 121.787 119.070 0.081 0.000 1.452 350 H HA -0.367 4.189 4.556 -0.000 0.000 0.090 350 H C 1.330 176.707 175.328 0.082 0.000 0.977 350 H CA 2.156 58.247 56.048 0.071 0.000 1.901 350 H CB -1.861 27.928 29.762 0.045 0.000 2.257 350 H HN 0.958 nan 8.280 nan 0.000 0.961 351 T N -1.718 113.068 114.554 0.387 0.000 3.107 351 T HA 0.634 4.984 4.350 -0.000 0.000 0.249 351 T C 0.935 175.712 174.700 0.127 0.000 1.096 351 T CA 0.133 62.375 62.100 0.237 0.000 1.012 351 T CB -0.179 68.831 68.868 0.237 0.000 0.977 351 T HN 0.883 nan 8.240 nan 0.000 0.527 352 A N 1.730 124.531 122.820 -0.031 0.000 2.293 352 A HA 0.672 4.992 4.320 -0.000 0.000 0.302 352 A C 0.290 177.770 177.584 -0.172 0.000 1.119 352 A CA -0.737 51.245 52.037 -0.093 0.000 0.823 352 A CB 0.661 19.593 19.000 -0.112 0.000 1.097 352 A HN 0.556 nan 8.150 nan 0.000 0.491 353 S N 0.515 116.107 115.700 -0.180 0.000 2.652 353 S HA 0.556 5.026 4.470 -0.000 0.000 0.252 353 S C -0.956 173.494 174.600 -0.251 0.000 1.219 353 S CA -0.543 57.443 58.200 -0.357 0.000 1.151 353 S CB 0.623 63.620 63.200 -0.338 0.000 1.080 353 S HN 0.695 nan 8.310 nan 0.000 0.481 354 V N 2.084 121.852 119.914 -0.244 0.000 2.525 354 V HA 0.459 4.579 4.120 -0.000 0.000 0.299 354 V C 0.277 176.287 176.094 -0.140 0.000 1.034 354 V CA -0.709 61.501 62.300 -0.151 0.000 0.863 354 V CB 1.843 33.601 31.823 -0.109 0.000 0.999 354 V HN 0.868 nan 8.190 nan 0.000 0.423 355 S N 3.057 118.698 115.700 -0.098 0.000 2.560 355 S HA 0.393 4.863 4.470 -0.000 0.000 0.284 355 S C 0.240 174.812 174.600 -0.046 0.000 1.327 355 S CA -0.097 58.058 58.200 -0.075 0.000 1.055 355 S CB 0.538 63.706 63.200 -0.053 0.000 0.868 355 S HN 0.810 nan 8.310 nan 0.000 0.506 356 S N 1.504 117.188 115.700 -0.026 0.000 2.541 356 S HA 0.449 4.919 4.470 -0.000 0.000 0.280 356 S C -0.520 174.175 174.600 0.159 0.000 1.112 356 S CA -0.847 57.387 58.200 0.056 0.000 0.925 356 S CB 1.720 64.920 63.200 -0.001 0.000 1.067 356 S HN 0.664 nan 8.310 nan 0.000 0.479 357 R N 2.306 122.876 120.500 0.118 0.000 2.265 357 R HA 0.462 4.802 4.340 -0.000 0.000 0.319 357 R C -0.775 175.527 176.300 0.003 0.000 1.006 357 R CA -0.554 55.581 56.100 0.058 0.000 0.880 357 R CB 0.313 30.622 30.300 0.016 0.000 1.077 357 R HN 0.649 nan 8.270 nan 0.000 0.454 358 I N 7.657 128.181 120.570 -0.077 0.000 2.576 358 I HA -0.063 4.107 4.170 -0.000 0.000 0.288 358 I C 1.544 177.566 176.117 -0.160 0.000 1.126 358 I CA 0.398 61.532 61.300 -0.277 0.000 1.362 358 I CB 0.489 38.345 38.000 -0.240 0.000 1.419 358 I HN 0.713 nan 8.210 nan 0.000 0.533 359 I N 2.279 122.746 120.570 -0.171 0.000 3.603 359 I HA 0.321 4.491 4.170 -0.000 0.000 0.297 359 I C 0.598 176.655 176.117 -0.100 0.000 1.269 359 I CA 0.365 61.605 61.300 -0.101 0.000 1.361 359 I CB 0.151 38.107 38.000 -0.073 0.000 1.063 359 I HN 0.571 nan 8.210 nan 0.000 0.448 360 E N 1.656 121.770 120.200 -0.142 0.000 2.381 360 E HA 0.432 4.782 4.350 -0.000 0.000 0.286 360 E C -1.475 175.037 176.600 -0.146 0.000 0.960 360 E CA -0.643 55.688 56.400 -0.115 0.000 0.793 360 E CB 2.178 31.826 29.700 -0.086 0.000 1.225 360 E HN 0.271 nan 8.360 nan 0.000 0.420 361 I N 5.982 126.481 120.570 -0.117 0.000 2.337 361 I HA 0.208 4.378 4.170 -0.000 0.000 0.285 361 I C 1.164 177.229 176.117 -0.087 0.000 1.041 361 I CA -0.423 60.807 61.300 -0.117 0.000 1.199 361 I CB 0.844 38.776 38.000 -0.114 0.000 1.370 361 I HN 0.492 nan 8.210 nan 0.000 0.470 362 K N 4.363 124.718 120.400 -0.074 0.000 2.361 362 K HA 0.464 4.784 4.320 -0.000 0.000 0.196 362 K C 0.418 176.991 176.600 -0.046 0.000 1.039 362 K CA 0.184 56.439 56.287 -0.053 0.000 1.001 362 K CB 0.562 33.039 32.500 -0.039 0.000 0.795 362 K HN 0.525 nan 8.250 nan 0.000 0.495 363 A N 1.164 123.953 122.820 -0.050 0.000 2.555 363 A HA 0.357 4.677 4.320 -0.000 0.000 0.297 363 A C -1.460 176.092 177.584 -0.052 0.000 1.060 363 A CA -0.952 51.058 52.037 -0.045 0.000 0.710 363 A CB 1.386 20.370 19.000 -0.026 0.000 1.282 363 A HN 0.000 nan 8.150 nan 0.000 0.399 364 K N 1.443 121.805 120.400 -0.064 0.000 2.174 364 K HA 0.686 5.006 4.320 -0.000 0.000 0.275 364 K C -1.047 175.532 176.600 -0.035 0.000 1.015 364 K CA -0.140 56.108 56.287 -0.065 0.000 0.933 364 K CB 0.739 33.181 32.500 -0.096 0.000 1.025 364 K HN 0.659 nan 8.250 nan 0.000 0.463 365 L N 1.566 122.781 121.223 -0.014 0.000 2.388 365 L HA 0.246 4.586 4.340 -0.000 0.000 0.264 365 L C -0.123 176.755 176.870 0.014 0.000 0.998 365 L CA -1.177 53.664 54.840 0.002 0.000 0.817 365 L CB 1.760 43.829 42.059 0.016 0.000 1.338 365 L HN 0.531 nan 8.230 nan 0.000 0.414 366 D N 3.035 123.440 120.400 0.009 0.000 2.382 366 D HA 0.085 4.725 4.640 -0.000 0.000 0.259 366 D C -1.752 174.561 176.300 0.023 0.000 1.224 366 D CA -1.512 52.497 54.000 0.014 0.000 0.894 366 D CB 1.580 42.382 40.800 0.004 0.000 1.127 366 D HN 0.197 nan 8.370 nan 0.000 0.487 367 P HA -0.100 nan 4.420 nan 0.000 0.226 367 P C 0.306 177.587 177.300 -0.031 0.000 1.146 367 P CA 1.161 64.286 63.100 0.041 0.000 0.773 367 P CB 0.375 32.142 31.700 0.112 0.000 0.772 368 K N -1.955 118.434 120.400 -0.018 0.000 2.286 368 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 368 K C 2.009 178.594 176.600 -0.026 0.000 1.078 368 K CA 1.397 57.664 56.287 -0.032 0.000 0.957 368 K CB -1.091 31.396 32.500 -0.021 0.000 1.018 368 K HN 0.132 nan 8.250 nan 0.000 0.484 369 T N -3.034 111.512 114.554 -0.014 0.000 3.010 369 T HA 0.213 4.563 4.350 -0.000 0.000 0.252 369 T C 1.550 176.245 174.700 -0.009 0.000 1.047 369 T CA 0.721 62.815 62.100 -0.011 0.000 1.140 369 T CB 0.204 69.068 68.868 -0.006 0.000 0.885 369 T HN 0.281 nan 8.240 nan 0.000 0.464 370 G N 1.167 109.964 108.800 -0.005 0.000 2.144 370 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 370 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 370 G C -0.248 174.653 174.900 0.002 0.000 0.988 370 G CA -0.082 45.017 45.100 -0.001 0.000 0.659 370 G HN 0.724 nan 8.290 nan 0.000 0.522 371 Q N -0.238 119.562 119.800 -0.000 0.000 2.299 371 Q HA 0.514 4.854 4.340 -0.000 0.000 0.246 371 Q C 0.670 176.667 176.000 -0.005 0.000 0.935 371 Q CA -0.624 55.178 55.803 -0.002 0.000 0.887 371 Q CB 2.057 30.793 28.738 -0.003 0.000 1.223 371 Q HN 0.148 nan 8.270 nan 0.000 0.439 372 V N 3.623 123.533 119.914 -0.006 0.000 2.415 372 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 372 V C 0.856 176.939 176.094 -0.018 0.000 1.043 372 V CA 0.433 62.726 62.300 -0.013 0.000 1.149 372 V CB -0.213 31.602 31.823 -0.012 0.000 1.143 372 V HN 0.695 nan 8.190 nan 0.000 0.478 373 V N 3.752 123.652 119.914 -0.023 0.000 3.573 373 V HA 0.127 4.247 4.120 -0.000 0.000 0.270 373 V C 0.773 176.843 176.094 -0.040 0.000 1.221 373 V CA 0.843 63.126 62.300 -0.028 0.000 1.163 373 V CB -0.794 31.012 31.823 -0.028 0.000 0.847 373 V HN 0.991 nan 8.190 nan 0.000 0.468 374 E N 0.006 120.179 120.200 -0.045 0.000 2.649 374 E HA 0.156 4.506 4.350 -0.000 0.000 0.308 374 E C -1.324 175.244 176.600 -0.054 0.000 1.017 374 E CA -0.537 55.831 56.400 -0.055 0.000 0.848 374 E CB 1.032 30.685 29.700 -0.078 0.000 1.240 374 E HN 0.200 nan 8.360 nan 0.000 0.421 375 Q N 2.588 122.361 119.800 -0.046 0.000 2.299 375 Q HA 0.253 4.593 4.340 -0.000 0.000 0.246 375 Q C -0.158 175.811 176.000 -0.052 0.000 0.935 375 Q CA -0.270 55.507 55.803 -0.043 0.000 0.887 375 Q CB 0.736 29.455 28.738 -0.031 0.000 1.223 375 Q HN 0.598 nan 8.270 nan 0.000 0.439 376 N N 1.920 120.588 118.700 -0.053 0.000 2.696 376 N HA -0.155 4.585 4.740 -0.000 0.000 0.271 376 N C -2.227 173.240 175.510 -0.072 0.000 0.997 376 N CA -0.143 52.873 53.050 -0.057 0.000 0.801 376 N CB -0.831 37.630 38.487 -0.043 0.000 0.913 376 N HN 0.398 nan 8.380 nan 0.000 0.557 377 P HA -0.076 nan 4.420 nan 0.000 0.267 377 P C 0.697 177.926 177.300 -0.119 0.000 1.200 377 P CA 0.230 63.241 63.100 -0.149 0.000 0.772 377 P CB 0.781 32.354 31.700 -0.211 0.000 0.855 378 Q N 1.645 121.379 119.800 -0.111 0.000 2.172 378 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 378 Q C 0.248 176.316 176.000 0.113 0.000 0.964 378 Q CA 1.429 57.247 55.803 0.024 0.000 0.855 378 Q CB -0.304 28.511 28.738 0.128 0.000 0.918 378 Q HN 0.601 nan 8.270 nan 0.000 0.444 379 F N -3.174 116.726 119.950 -0.084 0.000 2.773 379 F HA 0.586 5.113 4.527 -0.000 0.000 0.314 379 F C -1.797 173.926 175.800 -0.127 0.000 1.160 379 F CA -1.598 56.333 58.000 -0.115 0.000 0.920 379 F CB 0.696 39.627 39.000 -0.114 0.000 1.323 379 F HN -0.255 nan 8.300 nan 0.000 0.457 380 L N 1.686 122.907 121.223 -0.004 0.000 2.301 380 L HA 0.750 5.090 4.340 -0.000 0.000 0.264 380 L C -0.819 176.083 176.870 0.052 0.000 1.016 380 L CA -1.034 53.741 54.840 -0.109 0.000 0.821 380 L CB 2.439 44.406 42.059 -0.153 0.000 1.346 380 L HN 0.906 nan 8.230 nan 0.000 0.429 381 K N 0.091 120.476 120.400 -0.025 0.000 2.469 381 K HA 0.830 5.150 4.320 -0.000 0.000 0.268 381 K C -1.186 175.337 176.600 -0.128 0.000 1.027 381 K CA -0.996 55.268 56.287 -0.039 0.000 0.893 381 K CB 1.709 34.256 32.500 0.078 0.000 1.460 381 K HN 0.482 nan 8.250 nan 0.000 0.449 382 A N 0.351 123.087 122.820 -0.140 0.000 2.492 382 A HA 0.463 4.783 4.320 -0.000 0.000 0.254 382 A C 0.309 177.825 177.584 -0.113 0.000 1.091 382 A CA 0.366 52.302 52.037 -0.168 0.000 0.768 382 A CB -0.489 18.428 19.000 -0.139 0.000 1.028 382 A HN 0.742 nan 8.150 nan 0.000 0.498 383 G N 3.114 111.834 108.800 -0.133 0.000 3.378 383 G HA2 0.494 4.454 3.960 -0.000 0.000 0.332 383 G HA3 0.494 4.454 3.960 -0.000 0.000 0.332 383 G C -0.912 173.837 174.900 -0.250 0.000 1.490 383 G CA -0.460 44.416 45.100 -0.374 0.000 1.068 383 G HN 0.654 nan 8.290 nan 0.000 0.492 384 D N 0.890 121.157 120.400 -0.222 0.000 2.354 384 D HA 0.617 5.257 4.640 -0.000 0.000 0.247 384 D C 0.452 176.738 176.300 -0.022 0.000 1.138 384 D CA 0.064 54.016 54.000 -0.080 0.000 0.958 384 D CB 1.938 42.677 40.800 -0.103 0.000 1.144 384 D HN 0.502 nan 8.370 nan 0.000 0.458 385 A N -0.267 122.620 122.820 0.111 0.000 2.337 385 A HA 0.853 5.173 4.320 -0.000 0.000 0.331 385 A C -0.874 176.743 177.584 0.054 0.000 1.137 385 A CA -0.341 51.796 52.037 0.166 0.000 0.807 385 A CB 1.410 20.537 19.000 0.211 0.000 1.250 385 A HN 0.619 nan 8.150 nan 0.000 0.468 386 A N 0.673 123.525 122.820 0.054 0.000 2.608 386 A HA 0.614 4.934 4.320 -0.000 0.000 0.292 386 A C -1.504 176.098 177.584 0.031 0.000 1.066 386 A CA -0.472 51.574 52.037 0.014 0.000 0.676 386 A CB 0.754 19.736 19.000 -0.029 0.000 1.277 386 A HN 0.663 nan 8.150 nan 0.000 0.413 387 I N 1.820 122.395 120.570 0.008 0.000 2.304 387 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 387 I C -0.409 175.693 176.117 -0.026 0.000 1.018 387 I CA -0.406 60.905 61.300 0.018 0.000 1.260 387 I CB 0.527 38.536 38.000 0.015 0.000 1.390 387 I HN 0.307 nan 8.210 nan 0.000 0.475 388 V N 7.630 127.526 119.914 -0.030 0.000 2.680 388 V HA 0.486 4.606 4.120 -0.000 0.000 0.309 388 V C 0.177 176.140 176.094 -0.219 0.000 1.052 388 V CA -0.907 61.284 62.300 -0.181 0.000 0.908 388 V CB 2.796 34.431 31.823 -0.315 0.000 1.001 388 V HN 0.585 nan 8.190 nan 0.000 0.431 389 R N 3.519 123.845 120.500 -0.291 0.000 2.255 389 R HA 0.547 4.887 4.340 -0.000 0.000 0.326 389 R C -1.404 174.632 176.300 -0.440 0.000 0.986 389 R CA -0.202 55.737 56.100 -0.268 0.000 0.847 389 R CB 1.281 31.494 30.300 -0.144 0.000 1.111 389 R HN 0.490 nan 8.270 nan 0.000 0.452 390 F N 1.486 121.139 119.950 -0.496 0.000 2.470 390 F HA 0.380 4.907 4.527 -0.000 0.000 0.329 390 F C 0.620 176.183 175.800 -0.394 0.000 1.072 390 F CA -0.630 57.047 58.000 -0.537 0.000 0.989 390 F CB 1.666 40.055 39.000 -1.018 0.000 1.193 390 F HN 0.171 nan 8.300 nan 0.000 0.481 391 K N 3.991 124.396 120.400 0.008 0.000 2.559 391 K HA 0.463 4.783 4.320 -0.000 0.000 0.249 391 K C -3.010 173.630 176.600 0.068 0.000 0.958 391 K CA -1.987 54.320 56.287 0.033 0.000 0.901 391 K CB 1.585 34.093 32.500 0.013 0.000 1.124 391 K HN 0.146 nan 8.250 nan 0.000 0.437 392 P HA -0.077 nan 4.420 nan 0.000 0.267 392 P C 0.333 177.658 177.300 0.042 0.000 1.200 392 P CA -0.333 62.816 63.100 0.080 0.000 0.772 392 P CB 1.015 32.774 31.700 0.098 0.000 0.855 393 V N 2.135 122.061 119.914 0.019 0.000 2.992 393 V HA 0.006 4.126 4.120 -0.000 0.000 0.250 393 V C 0.921 177.019 176.094 0.007 0.000 1.090 393 V CA 1.641 63.947 62.300 0.009 0.000 1.101 393 V CB -0.448 31.374 31.823 -0.002 0.000 0.743 393 V HN 0.522 nan 8.190 nan 0.000 0.468 394 K N -0.244 120.158 120.400 0.003 0.000 2.352 394 K HA 0.476 4.796 4.320 -0.000 0.000 0.240 394 K C -2.756 173.850 176.600 0.011 0.000 1.017 394 K CA -2.028 54.261 56.287 0.004 0.000 0.851 394 K CB 1.417 33.913 32.500 -0.006 0.000 1.261 394 K HN -0.088 nan 8.250 nan 0.000 0.451 395 P HA 0.082 nan 4.420 nan 0.000 0.268 395 P C -1.399 175.911 177.300 0.016 0.000 1.205 395 P CA -0.228 62.884 63.100 0.021 0.000 0.771 395 P CB 0.454 32.167 31.700 0.022 0.000 0.858 396 L N 3.779 125.013 121.223 0.017 0.000 2.455 396 L HA 0.445 4.785 4.340 -0.000 0.000 0.264 396 L C -1.428 175.445 176.870 0.006 0.000 0.968 396 L CA -0.702 54.139 54.840 0.002 0.000 0.827 396 L CB 2.291 44.326 42.059 -0.040 0.000 1.317 396 L HN 0.022 nan 8.230 nan 0.000 0.407 397 V N 5.558 125.503 119.914 0.051 0.000 2.348 397 V HA 0.606 4.726 4.120 -0.000 0.000 0.270 397 V C -0.108 176.039 176.094 0.088 0.000 1.037 397 V CA -0.123 62.209 62.300 0.054 0.000 0.872 397 V CB 1.164 33.007 31.823 0.034 0.000 1.002 397 V HN 0.665 nan 8.190 nan 0.000 0.464 398 V N 2.346 122.227 119.914 -0.055 0.000 2.914 398 V HA 0.882 5.002 4.120 -0.000 0.000 0.314 398 V C -0.839 175.217 176.094 -0.064 0.000 1.084 398 V CA -0.845 61.387 62.300 -0.114 0.000 0.963 398 V CB 2.325 33.872 31.823 -0.459 0.000 1.025 398 V HN 0.698 nan 8.190 nan 0.000 0.432 399 E N 1.262 121.451 120.200 -0.018 0.000 2.256 399 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 399 E C -0.700 175.928 176.600 0.048 0.000 0.892 399 E CA -0.810 55.594 56.400 0.007 0.000 0.775 399 E CB 2.051 31.752 29.700 0.002 0.000 1.207 399 E HN 0.831 nan 8.360 nan 0.000 0.420 400 K N 3.073 123.511 120.400 0.064 0.000 2.511 400 K HA -0.055 4.265 4.320 -0.000 0.000 0.280 400 K C 0.589 177.272 176.600 0.139 0.000 1.008 400 K CA 0.092 56.450 56.287 0.118 0.000 1.050 400 K CB 0.214 32.770 32.500 0.094 0.000 0.889 400 K HN 0.566 nan 8.250 nan 0.000 0.484 401 F N 3.559 123.548 119.950 0.064 0.000 2.171 401 F HA -0.246 4.281 4.527 -0.000 0.000 0.300 401 F C 2.163 177.985 175.800 0.038 0.000 1.090 401 F CA 2.183 60.217 58.000 0.057 0.000 1.293 401 F CB -0.194 38.849 39.000 0.072 0.000 1.013 401 F HN 0.707 nan 8.300 nan 0.000 0.486 402 S N -0.351 115.371 115.700 0.038 0.000 2.400 402 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 402 S C 1.689 176.207 174.600 -0.138 0.000 1.025 402 S CA 1.484 59.646 58.200 -0.063 0.000 0.993 402 S CB -0.694 62.539 63.200 0.055 0.000 0.808 402 S HN 0.648 nan 8.310 nan 0.000 0.478 403 E N 1.111 121.256 120.200 -0.091 0.000 2.021 403 E HA 0.238 4.588 4.350 -0.000 0.000 0.191 403 E C 0.223 176.750 176.600 -0.123 0.000 0.971 403 E CA 0.597 56.948 56.400 -0.082 0.000 0.825 403 E CB 0.002 29.680 29.700 -0.036 0.000 0.788 403 E HN 0.461 nan 8.360 nan 0.000 0.460 404 I N 2.365 122.869 120.570 -0.110 0.000 2.428 404 I HA 0.151 4.321 4.170 -0.000 0.000 0.279 404 I C -2.175 173.857 176.117 -0.141 0.000 1.040 404 I CA -1.810 59.420 61.300 -0.115 0.000 1.171 404 I CB 1.541 39.501 38.000 -0.066 0.000 1.312 404 I HN -0.068 nan 8.210 nan 0.000 0.470 405 P HA -0.157 nan 4.420 nan 0.000 0.221 405 P C 1.314 178.619 177.300 0.009 0.000 1.150 405 P CA 0.931 63.801 63.100 -0.384 0.000 0.800 405 P CB 0.102 31.347 31.700 -0.758 0.000 0.787 406 Q N -0.416 119.385 119.800 0.002 0.000 2.436 406 Q HA -0.030 4.310 4.340 -0.000 0.000 0.209 406 Q C 1.241 177.321 176.000 0.132 0.000 0.965 406 Q CA 1.038 56.886 55.803 0.075 0.000 0.910 406 Q CB -0.690 28.074 28.738 0.044 0.000 0.980 406 Q HN 0.350 nan 8.270 nan 0.000 0.491 407 L N -0.088 121.208 121.223 0.121 0.000 2.910 407 L HA 0.412 4.752 4.340 -0.000 0.000 0.252 407 L C 0.943 177.913 176.870 0.166 0.000 1.195 407 L CA 0.373 55.326 54.840 0.188 0.000 1.003 407 L CB 0.581 42.704 42.059 0.106 0.000 1.328 407 L HN 0.224 nan 8.230 nan 0.000 0.540 408 G N 0.869 109.804 108.800 0.225 0.000 3.651 408 G HA2 0.156 4.116 3.960 -0.000 0.000 0.267 408 G HA3 0.156 4.116 3.960 -0.000 0.000 0.267 408 G C 0.351 175.507 174.900 0.427 0.000 1.009 408 G CA -0.313 44.969 45.100 0.304 0.000 0.866 408 G HN 0.312 nan 8.290 nan 0.000 0.488 409 R N -0.110 120.607 120.500 0.363 0.000 2.534 409 R HA 0.780 5.120 4.340 -0.000 0.000 0.301 409 R C -1.013 175.410 176.300 0.205 0.000 0.961 409 R CA -0.857 55.366 56.100 0.206 0.000 0.871 409 R CB 1.290 31.705 30.300 0.191 0.000 1.170 409 R HN 0.129 nan 8.270 nan 0.000 0.446 410 F N -0.352 119.614 119.950 0.028 0.000 2.664 410 F HA 0.891 5.418 4.527 -0.000 0.000 0.317 410 F C -1.494 174.343 175.800 0.063 0.000 1.108 410 F CA -1.567 56.450 58.000 0.028 0.000 0.957 410 F CB 1.482 40.470 39.000 -0.020 0.000 1.365 410 F HN 0.689 nan 8.300 nan 0.000 0.475 411 A N 2.561 125.555 122.820 0.289 0.000 2.318 411 A HA 0.755 5.074 4.320 -0.000 0.000 0.324 411 A C -0.899 176.934 177.584 0.415 0.000 1.170 411 A CA -0.861 51.312 52.037 0.227 0.000 0.810 411 A CB 0.836 19.912 19.000 0.127 0.000 1.198 411 A HN 0.820 nan 8.150 nan 0.000 0.484 412 M N 2.887 122.712 119.600 0.376 0.000 2.108 412 M HA 0.369 4.849 4.480 -0.000 0.000 0.354 412 M C 0.062 176.557 176.300 0.325 0.000 1.229 412 M CA 0.472 55.999 55.300 0.379 0.000 1.081 412 M CB 0.801 33.659 32.600 0.430 0.000 1.606 412 M HN 0.663 nan 8.290 nan 0.000 0.467 413 R N 1.644 122.333 120.500 0.314 0.000 2.750 413 R HA 0.657 4.997 4.340 -0.000 0.000 0.281 413 R C -1.497 174.943 176.300 0.234 0.000 0.972 413 R CA -0.961 55.303 56.100 0.273 0.000 0.912 413 R CB 2.121 32.571 30.300 0.250 0.000 1.187 413 R HN 0.544 nan 8.270 nan 0.000 0.464 414 D N 1.857 122.403 120.400 0.243 0.000 2.977 414 D HA 0.220 4.860 4.640 -0.000 0.000 0.220 414 D C -0.314 176.108 176.300 0.204 0.000 1.267 414 D CA -0.567 53.559 54.000 0.211 0.000 0.884 414 D CB 1.178 42.158 40.800 0.300 0.000 1.667 414 D HN 0.427 nan 8.370 nan 0.000 0.536 415 M N 3.031 122.714 119.600 0.138 0.000 2.872 415 M HA -0.250 4.230 4.480 -0.000 0.000 0.200 415 M C 0.101 176.445 176.300 0.073 0.000 0.582 415 M CA 1.164 56.531 55.300 0.111 0.000 0.706 415 M CB -2.190 30.504 32.600 0.156 0.000 2.560 415 M HN 0.820 nan 8.290 nan 0.000 0.476 416 N N -0.166 118.576 118.700 0.069 0.000 2.783 416 N HA -0.192 4.548 4.740 -0.000 0.000 0.247 416 N C -1.107 174.393 175.510 -0.016 0.000 1.089 416 N CA 0.681 53.746 53.050 0.025 0.000 0.690 416 N CB -0.111 38.370 38.487 -0.010 0.000 0.991 416 N HN 0.450 nan 8.380 nan 0.000 0.552 417 R N 0.142 120.654 120.500 0.020 0.000 2.651 417 R HA 0.292 4.632 4.340 -0.000 0.000 0.278 417 R C -0.808 175.536 176.300 0.073 0.000 1.010 417 R CA -0.477 55.585 56.100 -0.063 0.000 0.896 417 R CB 1.523 31.697 30.300 -0.210 0.000 1.211 417 R HN 0.021 nan 8.270 nan 0.000 0.456 418 T N 1.800 116.378 114.554 0.040 0.000 2.738 418 T HA 0.104 4.454 4.350 -0.000 0.000 0.294 418 T C 1.453 176.310 174.700 0.262 0.000 0.914 418 T CA -0.107 62.075 62.100 0.135 0.000 1.052 418 T CB 0.800 69.724 68.868 0.094 0.000 0.897 418 T HN 0.199 nan 8.240 nan 0.000 0.522 419 V N 2.865 122.989 119.914 0.350 0.000 2.878 419 V HA 0.339 4.459 4.120 -0.000 0.000 0.250 419 V C 1.382 177.659 176.094 0.305 0.000 1.075 419 V CA 1.403 63.975 62.300 0.453 0.000 1.096 419 V CB -0.166 31.971 31.823 0.523 0.000 0.724 419 V HN 1.032 nan 8.190 nan 0.000 0.467 420 G N -0.468 108.485 108.800 0.254 0.000 2.488 420 G HA2 0.581 4.541 3.960 -0.000 0.000 0.301 420 G HA3 0.581 4.541 3.960 -0.000 0.000 0.301 420 G C -1.741 173.252 174.900 0.156 0.000 1.339 420 G CA -0.205 45.006 45.100 0.185 0.000 0.803 420 G HN 0.283 nan 8.290 nan 0.000 0.482 421 I N -2.643 117.983 120.570 0.095 0.000 2.894 421 I HA 0.975 5.145 4.170 -0.000 0.000 0.302 421 I C -0.009 175.947 176.117 -0.268 0.000 1.188 421 I CA -1.096 60.156 61.300 -0.081 0.000 1.014 421 I CB 2.285 40.275 38.000 -0.016 0.000 1.242 421 I HN 1.172 nan 8.210 nan 0.000 0.430 422 G N 3.839 112.164 108.800 -0.791 0.000 2.660 422 G HA2 0.740 4.700 3.960 -0.000 0.000 0.290 422 G HA3 0.740 4.700 3.960 -0.000 0.000 0.290 422 G C -1.549 172.860 174.900 -0.818 0.000 1.432 422 G CA -0.904 43.672 45.100 -0.873 0.000 0.807 422 G HN 1.052 nan 8.290 nan 0.000 0.485 423 I N -1.646 118.741 120.570 -0.304 0.000 2.647 423 I HA 0.794 4.964 4.170 -0.000 0.000 0.295 423 I C -0.286 175.982 176.117 0.251 0.000 1.078 423 I CA -1.436 59.771 61.300 -0.155 0.000 1.048 423 I CB 2.224 39.828 38.000 -0.659 0.000 1.239 423 I HN 0.536 nan 8.210 nan 0.000 0.421 424 V N 3.435 123.577 119.914 0.381 0.000 2.465 424 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 424 V C 0.794 177.076 176.094 0.313 0.000 1.045 424 V CA 0.874 63.419 62.300 0.408 0.000 0.938 424 V CB 1.227 33.207 31.823 0.260 0.000 0.986 424 V HN 1.062 nan 8.190 nan 0.000 0.467 425 T N 0.531 115.257 114.554 0.286 0.000 3.040 425 T HA 0.355 4.705 4.350 -0.000 0.000 0.266 425 T C 0.095 174.903 174.700 0.180 0.000 1.005 425 T CA 0.353 62.581 62.100 0.213 0.000 0.906 425 T CB -0.078 68.892 68.868 0.171 0.000 1.082 425 T HN 0.790 nan 8.240 nan 0.000 0.531 426 D N -0.189 120.334 120.400 0.205 0.000 2.722 426 D HA 0.421 5.061 4.640 -0.000 0.000 0.231 426 D C -1.909 174.510 176.300 0.199 0.000 1.218 426 D CA -0.340 53.759 54.000 0.164 0.000 0.753 426 D CB 2.194 43.072 40.800 0.129 0.000 1.471 426 D HN 0.029 nan 8.370 nan 0.000 0.455 427 V N 2.812 122.817 119.914 0.151 0.000 2.569 427 V HA 0.407 4.527 4.120 -0.000 0.000 0.301 427 V C -0.206 175.957 176.094 0.115 0.000 1.044 427 V CA -0.912 61.483 62.300 0.158 0.000 0.874 427 V CB 1.913 33.801 31.823 0.108 0.000 1.002 427 V HN 0.496 nan 8.190 nan 0.000 0.424 428 K N 7.263 127.736 120.400 0.122 0.000 2.266 428 K HA 0.459 4.779 4.320 -0.000 0.000 0.274 428 K C -2.567 174.079 176.600 0.076 0.000 1.090 428 K CA -1.569 54.769 56.287 0.084 0.000 0.925 428 K CB 1.181 33.726 32.500 0.074 0.000 1.225 428 K HN 0.391 nan 8.250 nan 0.000 0.458 429 P HA 0.181 nan 4.420 nan 0.000 0.281 429 P C -1.073 176.252 177.300 0.040 0.000 1.249 429 P CA -0.516 62.613 63.100 0.048 0.000 0.810 429 P CB 1.605 33.328 31.700 0.037 0.000 1.008 430 A N 1.275 124.117 122.820 0.037 0.000 2.248 430 A HA 0.662 4.982 4.320 -0.000 0.000 0.316 430 A C 0.290 177.889 177.584 0.025 0.000 1.101 430 A CA -0.597 51.458 52.037 0.032 0.000 0.875 430 A CB -0.276 18.744 19.000 0.033 0.000 1.207 430 A HN 0.577 nan 8.150 nan 0.000 0.504 431 K N 0.203 120.617 120.400 0.022 0.000 2.416 431 K HA 0.510 4.830 4.320 -0.000 0.000 0.283 431 K C 0.230 176.841 176.600 0.018 0.000 1.037 431 K CA 0.164 56.462 56.287 0.019 0.000 0.995 431 K CB -0.823 31.687 32.500 0.017 0.000 0.938 431 K HN 1.792 nan 8.250 nan 0.000 0.475 432 V N 0.000 119.924 119.914 0.017 0.000 2.409 432 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 432 V CA 0.000 62.310 62.300 0.017 0.000 1.235 432 V CB 0.000 31.831 31.823 0.014 0.000 1.184 432 V HN 0.000 nan 8.190 nan 0.000 0.556