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 3fpc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGFAMLSIG KVGWIEKEKP APGPFDAIVR PLAVAPCTSD IHTVFEGAIG DATA SEQUENCE ERHNMILGHE AVGEVVEVGS EVKDFKPGDR VVVPAITPDW RTSEVQRGYH DATA SEQUENCE QHSGGMLAGW KFSNVKDGVF GEFFHVNDAD MNLAHLPKEI PLEAAVMIPD DATA SEQUENCE MMTTGFHGAE LANIKLGDTV CVIGIGPVGL MSVAGANHLG AGRIFAVGSR DATA SEQUENCE KHCCDIALEY GATDIINYKN GDIVEQILKA TDGKGVDKVV IAGGDVHTFA DATA SEQUENCE QAVKMIKPGS DIGNVNYLGE GDNIDIPRSE WGVGMGHKHI HGGLCPGGRL DATA SEQUENCE RMERLIDLVF YKRVDPSKLV THVFRGFDNI EKAFMLMKDK PKDLIKPVVI DATA SEQUENCE LA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.437 176.300 0.229 0.000 1.140 1 M CA 0.000 55.424 55.300 0.206 0.000 0.988 1 M CB 0.000 32.782 32.600 0.303 0.000 1.302 2 K N 0.679 121.243 120.400 0.274 0.000 2.110 2 K HA 0.883 5.208 4.320 0.009 0.000 0.263 2 K C -0.232 176.726 176.600 0.598 0.000 0.975 2 K CA -0.597 55.939 56.287 0.416 0.000 0.895 2 K CB 2.020 34.784 32.500 0.439 0.000 1.060 2 K HN 0.856 nan 8.250 nan 0.000 0.448 3 G N 1.205 110.347 108.800 0.571 0.000 2.696 3 G HA2 0.452 4.417 3.960 0.009 0.000 0.295 3 G HA3 0.452 4.417 3.960 0.009 0.000 0.295 3 G C -2.030 172.979 174.900 0.181 0.000 1.398 3 G CA -0.644 44.723 45.100 0.445 0.000 0.920 3 G HN 0.424 nan 8.290 nan 0.000 0.492 4 F N 2.018 121.727 119.950 -0.401 0.000 2.391 4 F HA 0.730 5.264 4.527 0.012 0.000 0.359 4 F C 0.292 175.839 175.800 -0.422 0.000 1.122 4 F CA -0.586 56.881 58.000 -0.888 0.000 1.120 4 F CB 1.135 39.262 39.000 -1.455 0.000 1.142 4 F HN 0.666 nan 8.300 nan 0.000 0.483 5 A N 6.860 129.151 122.820 -0.881 0.000 2.423 5 A HA 0.605 4.931 4.320 0.009 0.000 0.304 5 A C -0.921 176.280 177.584 -0.638 0.000 1.104 5 A CA -1.016 50.692 52.037 -0.548 0.000 0.757 5 A CB 1.361 20.194 19.000 -0.278 0.000 1.313 5 A HN 0.858 nan 8.150 nan 0.000 0.423 6 M N 3.031 122.389 119.600 -0.403 0.000 2.220 6 M HA 0.237 4.722 4.480 0.009 0.000 0.343 6 M C -0.381 175.788 176.300 -0.219 0.000 1.470 6 M CA -0.085 55.023 55.300 -0.319 0.000 1.161 6 M CB -0.131 32.335 32.600 -0.223 0.000 1.737 6 M HN 0.728 nan 8.290 nan 0.000 0.464 7 L N 3.339 124.440 121.223 -0.203 0.000 2.095 7 L HA 0.058 4.404 4.340 0.009 0.000 0.204 7 L C 0.890 177.772 176.870 0.021 0.000 1.080 7 L CA 0.425 55.211 54.840 -0.091 0.000 0.759 7 L CB -0.601 41.402 42.059 -0.093 0.000 0.914 7 L HN 0.889 nan 8.230 nan 0.000 0.439 8 S N -2.111 113.572 115.700 -0.029 0.000 2.656 8 S HA 0.348 4.823 4.470 0.009 0.000 0.265 8 S C -0.661 173.885 174.600 -0.090 0.000 1.132 8 S CA -0.979 57.225 58.200 0.007 0.000 0.819 8 S CB 0.898 64.188 63.200 0.149 0.000 1.119 8 S HN -0.020 nan 8.310 nan 0.000 0.476 9 I N 2.139 122.660 120.570 -0.081 0.000 2.741 9 I HA 0.358 4.533 4.170 0.009 0.000 0.288 9 I C 1.597 177.665 176.117 -0.083 0.000 1.192 9 I CA 1.742 62.986 61.300 -0.094 0.000 1.426 9 I CB -0.135 37.838 38.000 -0.045 0.000 1.367 9 I HN 1.302 nan 8.210 nan 0.000 0.563 10 G N 4.866 113.558 108.800 -0.180 0.000 2.176 10 G HA2 -0.258 3.707 3.960 0.009 0.000 0.253 10 G HA3 -0.258 3.707 3.960 0.009 0.000 0.253 10 G C 0.129 174.994 174.900 -0.057 0.000 0.979 10 G CA -0.254 44.804 45.100 -0.070 0.000 0.641 10 G HN 0.583 nan 8.290 nan 0.000 0.530 11 K N 0.135 120.438 120.400 -0.162 0.000 2.471 11 K HA 0.635 4.961 4.320 0.009 0.000 0.252 11 K C -0.175 176.300 176.600 -0.208 0.000 0.938 11 K CA -0.506 55.723 56.287 -0.097 0.000 0.796 11 K CB 3.128 35.596 32.500 -0.053 0.000 1.161 11 K HN 0.651 nan 8.250 nan 0.000 0.425 12 V N -1.352 118.444 119.914 -0.197 0.000 2.960 12 V HA 1.018 5.144 4.120 0.009 0.000 0.315 12 V C -0.069 175.788 176.094 -0.395 0.000 1.087 12 V CA -0.530 61.507 62.300 -0.439 0.000 0.982 12 V CB 1.715 33.193 31.823 -0.575 0.000 1.039 12 V HN 0.899 nan 8.190 nan 0.000 0.437 13 G N 0.657 109.052 108.800 -0.676 0.000 2.368 13 G HA2 0.415 4.380 3.960 0.009 0.000 0.293 13 G HA3 0.415 4.380 3.960 0.009 0.000 0.293 13 G C -2.085 172.558 174.900 -0.427 0.000 1.467 13 G CA -0.938 43.935 45.100 -0.379 0.000 0.804 13 G HN 0.897 nan 8.290 nan 0.000 0.535 14 W N 0.540 121.851 121.300 0.019 0.000 2.253 14 W HA 0.565 5.228 4.660 0.006 0.000 0.322 14 W C 0.979 177.512 176.519 0.023 0.000 1.342 14 W CA -0.074 57.312 57.345 0.068 0.000 1.218 14 W CB 0.772 30.305 29.460 0.121 0.000 1.205 14 W HN 0.542 nan 8.180 nan 0.000 0.551 15 I N -0.582 120.143 120.570 0.259 0.000 3.042 15 I HA 0.656 4.832 4.170 0.009 0.000 0.310 15 I C -0.875 175.366 176.117 0.207 0.000 1.117 15 I CA -1.547 59.854 61.300 0.168 0.000 1.003 15 I CB 2.263 40.304 38.000 0.067 0.000 1.228 15 I HN 0.203 nan 8.210 nan 0.000 0.443 16 E N 2.786 123.075 120.200 0.149 0.000 2.175 16 E HA 0.524 4.879 4.350 0.009 0.000 0.278 16 E C -1.404 175.267 176.600 0.119 0.000 0.969 16 E CA -0.439 56.047 56.400 0.143 0.000 0.796 16 E CB 1.314 31.079 29.700 0.108 0.000 1.104 16 E HN 0.555 nan 8.360 nan 0.000 0.395 17 K N 2.892 123.373 120.400 0.135 0.000 2.482 17 K HA 0.290 4.615 4.320 0.009 0.000 0.257 17 K C -0.752 175.918 176.600 0.115 0.000 0.969 17 K CA -0.975 55.382 56.287 0.115 0.000 0.842 17 K CB 1.760 34.337 32.500 0.128 0.000 1.359 17 K HN 0.572 nan 8.250 nan 0.000 0.441 18 E N 2.039 122.293 120.200 0.090 0.000 2.452 18 E HA -0.069 4.286 4.350 0.009 0.000 0.261 18 E C -0.305 176.358 176.600 0.105 0.000 0.987 18 E CA 0.483 56.932 56.400 0.080 0.000 0.926 18 E CB 0.708 30.441 29.700 0.055 0.000 0.934 18 E HN 0.214 nan 8.360 nan 0.000 0.452 19 K N 5.239 125.696 120.400 0.095 0.000 2.416 19 K HA 0.087 4.412 4.320 0.009 0.000 0.283 19 K C -2.039 174.596 176.600 0.059 0.000 1.037 19 K CA -1.272 55.070 56.287 0.092 0.000 0.995 19 K CB 0.408 32.901 32.500 -0.012 0.000 0.938 19 K HN 0.217 nan 8.250 nan 0.000 0.475 20 P HA 0.111 nan 4.420 nan 0.000 0.272 20 P C -1.384 175.965 177.300 0.082 0.000 1.230 20 P CA -0.491 62.679 63.100 0.117 0.000 0.788 20 P CB 1.222 33.049 31.700 0.211 0.000 0.949 21 A N 2.556 125.437 122.820 0.101 0.000 2.355 21 A HA 0.734 5.060 4.320 0.009 0.000 0.324 21 A C -2.482 175.197 177.584 0.157 0.000 1.117 21 A CA -1.590 50.490 52.037 0.073 0.000 0.785 21 A CB 0.763 19.784 19.000 0.035 0.000 1.254 21 A HN 0.433 nan 8.150 nan 0.000 0.453 22 P HA 0.404 nan 4.420 nan 0.000 0.288 22 P C 0.354 177.712 177.300 0.095 0.000 1.267 22 P CA 0.052 63.203 63.100 0.084 0.000 0.815 22 P CB 1.454 33.132 31.700 -0.037 0.000 0.989 23 G N 2.836 111.731 108.800 0.158 0.000 2.653 23 G HA2 0.198 4.163 3.960 0.009 0.000 0.265 23 G HA3 0.198 4.163 3.960 0.009 0.000 0.265 23 G C -1.604 173.323 174.900 0.045 0.000 1.237 23 G CA -1.120 44.050 45.100 0.118 0.000 0.946 23 G HN 0.289 nan 8.290 nan 0.000 0.522 24 P HA -0.052 nan 4.420 nan 0.000 0.219 24 P C 0.790 177.846 177.300 -0.407 0.000 1.146 24 P CA 1.158 64.106 63.100 -0.253 0.000 0.808 24 P CB 0.038 31.498 31.700 -0.401 0.000 0.779 25 F N -1.810 118.159 119.950 0.033 0.000 2.653 25 F HA 0.192 4.724 4.527 0.008 0.000 0.304 25 F C 0.750 176.557 175.800 0.011 0.000 1.092 25 F CA -0.234 57.785 58.000 0.032 0.000 1.279 25 F CB -0.019 39.009 39.000 0.046 0.000 1.044 25 F HN -0.196 nan 8.300 nan 0.000 0.564 26 D N 0.247 120.703 120.400 0.094 0.000 2.384 26 D HA 0.673 5.318 4.640 0.009 0.000 0.250 26 D C -0.337 175.897 176.300 -0.109 0.000 1.029 26 D CA -0.392 53.581 54.000 -0.045 0.000 0.990 26 D CB 1.849 42.557 40.800 -0.152 0.000 1.175 26 D HN -0.009 nan 8.370 nan 0.000 0.532 27 A N 0.517 123.216 122.820 -0.201 0.000 2.435 27 A HA 0.587 4.912 4.320 0.009 0.000 0.304 27 A C -1.040 176.420 177.584 -0.207 0.000 1.064 27 A CA -0.648 51.294 52.037 -0.158 0.000 0.727 27 A CB 1.057 19.981 19.000 -0.126 0.000 1.284 27 A HN 0.364 nan 8.150 nan 0.000 0.415 28 I N 2.075 122.560 120.570 -0.141 0.000 2.353 28 I HA 0.495 4.670 4.170 0.009 0.000 0.293 28 I C -0.307 175.721 176.117 -0.147 0.000 0.992 28 I CA -0.539 60.690 61.300 -0.120 0.000 1.268 28 I CB 0.978 38.922 38.000 -0.093 0.000 1.387 28 I HN 0.290 nan 8.210 nan 0.000 0.478 29 V N 6.753 126.480 119.914 -0.312 0.000 2.735 29 V HA 0.531 4.656 4.120 0.009 0.000 0.310 29 V C -0.044 175.763 176.094 -0.478 0.000 1.061 29 V CA -0.993 61.036 62.300 -0.452 0.000 0.913 29 V CB 2.468 33.870 31.823 -0.701 0.000 1.005 29 V HN 0.823 nan 8.190 nan 0.000 0.428 30 R N 4.411 124.801 120.500 -0.183 0.000 2.393 30 R HA 0.633 4.978 4.340 0.009 0.000 0.310 30 R C -2.854 173.425 176.300 -0.035 0.000 0.968 30 R CA -1.835 54.172 56.100 -0.154 0.000 0.867 30 R CB 1.722 31.930 30.300 -0.152 0.000 1.124 30 R HN 0.412 nan 8.270 nan 0.000 0.450 31 P HA 0.032 nan 4.420 nan 0.000 0.271 31 P C -0.058 177.328 177.300 0.144 0.000 1.216 31 P CA -0.227 63.032 63.100 0.265 0.000 0.771 31 P CB 1.109 33.035 31.700 0.378 0.000 0.864 32 L N 1.574 122.879 121.223 0.137 0.000 2.425 32 L HA 0.355 4.700 4.340 0.009 0.000 0.215 32 L C 1.115 178.051 176.870 0.110 0.000 1.065 32 L CA 0.538 55.439 54.840 0.101 0.000 0.842 32 L CB -0.010 42.099 42.059 0.085 0.000 1.033 32 L HN 0.411 nan 8.230 nan 0.000 0.474 33 A N 0.249 123.145 122.820 0.126 0.000 2.517 33 A HA 0.644 4.970 4.320 0.009 0.000 0.297 33 A C -1.024 176.639 177.584 0.133 0.000 1.050 33 A CA -0.450 51.656 52.037 0.116 0.000 0.694 33 A CB 1.757 20.811 19.000 0.091 0.000 1.277 33 A HN -0.089 nan 8.150 nan 0.000 0.400 34 V N -1.642 118.356 119.914 0.141 0.000 3.130 34 V HA 1.048 5.173 4.120 0.009 0.000 0.310 34 V C -0.194 176.001 176.094 0.168 0.000 1.158 34 V CA -0.360 62.047 62.300 0.179 0.000 1.029 34 V CB 1.393 33.400 31.823 0.307 0.000 1.057 34 V HN 2.412 nan 8.190 nan 0.000 0.436 35 A N 2.689 125.630 122.820 0.202 0.000 2.475 35 A HA 1.040 5.365 4.320 0.009 0.000 0.301 35 A C -3.132 174.615 177.584 0.273 0.000 1.059 35 A CA -1.733 50.409 52.037 0.174 0.000 0.710 35 A CB 2.147 21.206 19.000 0.098 0.000 1.288 35 A HN 0.820 nan 8.150 nan 0.000 0.408 36 P HA 0.543 nan 4.420 nan 0.000 0.282 36 P C -0.789 176.574 177.300 0.106 0.000 1.259 36 P CA -0.428 62.867 63.100 0.325 0.000 0.826 36 P CB 1.529 33.398 31.700 0.281 0.000 1.064 37 C N 1.339 120.679 119.300 0.067 0.000 2.626 37 C HA 0.383 4.849 4.460 0.009 0.000 0.310 37 C C 2.129 177.139 174.990 0.033 0.000 1.191 37 C CA 0.219 59.263 59.018 0.043 0.000 1.517 37 C CB 0.657 28.431 27.740 0.057 0.000 2.102 37 C HN 0.815 nan 8.230 nan 0.000 0.479 38 T N 1.171 115.716 114.554 -0.015 0.000 2.929 38 T HA -0.111 4.244 4.350 0.009 0.000 0.271 38 T C 1.571 176.177 174.700 -0.155 0.000 1.085 38 T CA 1.987 64.004 62.100 -0.137 0.000 1.125 38 T CB -0.258 68.513 68.868 -0.161 0.000 0.874 38 T HN 0.669 nan 8.240 nan 0.000 0.494 39 S N 1.916 117.690 115.700 0.122 0.000 2.370 39 S HA -0.126 4.349 4.470 0.009 0.000 0.226 39 S C 1.751 176.591 174.600 0.400 0.000 1.033 39 S CA 1.395 59.815 58.200 0.368 0.000 1.011 39 S CB -0.537 63.007 63.200 0.573 0.000 0.852 39 S HN 0.553 nan 8.310 nan 0.000 0.457 40 D N 1.101 121.725 120.400 0.375 0.000 2.219 40 D HA -0.013 4.632 4.640 0.009 0.000 0.205 40 D C 1.745 178.222 176.300 0.294 0.000 0.970 40 D CA 0.513 54.752 54.000 0.397 0.000 0.851 40 D CB -0.187 40.913 40.800 0.500 0.000 0.943 40 D HN 0.274 nan 8.370 nan 0.000 0.488 41 I N 0.829 121.462 120.570 0.104 0.000 2.252 41 I HA -0.198 3.977 4.170 0.009 0.000 0.245 41 I C 2.176 178.369 176.117 0.126 0.000 1.102 41 I CA 1.169 62.541 61.300 0.120 0.000 1.385 41 I CB -1.194 36.730 38.000 -0.128 0.000 1.064 41 I HN 0.158 nan 8.210 nan 0.000 0.414 42 H N 0.786 119.865 119.070 0.015 0.000 2.319 42 H HA -0.102 4.459 4.556 0.010 0.000 0.299 42 H C 2.298 177.641 175.328 0.025 0.000 1.092 42 H CA 2.037 58.014 56.048 -0.118 0.000 1.302 42 H CB -0.814 28.551 29.762 -0.662 0.000 1.373 42 H HN 0.272 nan 8.280 nan 0.000 0.497 43 T N 0.802 115.519 114.554 0.271 0.000 2.708 43 T HA -0.079 4.276 4.350 0.009 0.000 0.266 43 T C 2.471 177.220 174.700 0.082 0.000 1.037 43 T CA 1.427 63.674 62.100 0.244 0.000 1.146 43 T CB -0.434 68.612 68.868 0.296 0.000 0.865 43 T HN 0.067 nan 8.240 nan 0.000 0.435 44 V N 0.261 120.187 119.914 0.019 0.000 2.283 44 V HA -0.023 4.102 4.120 0.009 0.000 0.243 44 V C 2.011 177.899 176.094 -0.344 0.000 1.039 44 V CA 1.606 63.754 62.300 -0.253 0.000 1.016 44 V CB -0.558 30.986 31.823 -0.465 0.000 0.650 44 V HN 0.395 nan 8.190 nan 0.000 0.449 45 F N -0.074 119.929 119.950 0.089 0.000 2.530 45 F HA 0.152 4.684 4.527 0.010 0.000 0.292 45 F C 2.237 178.068 175.800 0.051 0.000 1.109 45 F CA 0.569 58.605 58.000 0.061 0.000 1.450 45 F CB -0.083 38.944 39.000 0.046 0.000 1.114 45 F HN 0.151 nan 8.300 nan 0.000 0.560 46 E N -0.447 119.875 120.200 0.203 0.000 2.472 46 E HA 0.188 4.543 4.350 0.009 0.000 0.196 46 E C 1.465 178.118 176.600 0.087 0.000 1.033 46 E CA 0.388 56.868 56.400 0.135 0.000 0.886 46 E CB 0.167 29.947 29.700 0.132 0.000 0.944 46 E HN 0.289 nan 8.360 nan 0.000 0.492 47 G N 1.645 110.489 108.800 0.072 0.000 2.305 47 G HA2 -0.365 3.600 3.960 0.009 0.000 0.287 47 G HA3 -0.365 3.600 3.960 0.009 0.000 0.287 47 G C 0.940 175.882 174.900 0.069 0.000 1.036 47 G CA 0.379 45.505 45.100 0.043 0.000 0.887 47 G HN 0.404 nan 8.290 nan 0.000 0.505 48 A N -0.347 122.547 122.820 0.123 0.000 2.019 48 A HA 0.257 4.582 4.320 0.009 0.000 0.219 48 A C 2.070 179.763 177.584 0.183 0.000 1.164 48 A CA 1.728 53.861 52.037 0.160 0.000 0.644 48 A CB -0.245 18.872 19.000 0.194 0.000 0.805 48 A HN 1.611 nan 8.150 nan 0.000 0.449 49 I N -5.684 114.980 120.570 0.158 0.000 3.817 49 I HA 0.585 4.760 4.170 0.009 0.000 0.325 49 I C 0.535 176.648 176.117 -0.007 0.000 1.550 49 I CA -0.023 61.318 61.300 0.069 0.000 1.100 49 I CB 0.025 38.053 38.000 0.047 0.000 1.216 49 I HN 0.373 nan 8.210 nan 0.000 0.481 50 G N 1.979 110.775 108.800 -0.006 0.000 2.603 50 G HA2 -0.162 3.803 3.960 0.009 0.000 0.686 50 G HA3 -0.162 3.803 3.960 0.009 0.000 0.686 50 G C -0.807 174.042 174.900 -0.085 0.000 1.286 50 G CA -0.552 44.520 45.100 -0.046 0.000 0.871 50 G HN 0.510 nan 8.290 nan 0.000 0.568 51 E N 0.104 120.232 120.200 -0.120 0.000 2.404 51 E HA 0.584 4.940 4.350 0.009 0.000 0.261 51 E C 0.634 177.053 176.600 -0.300 0.000 1.074 51 E CA 0.167 56.439 56.400 -0.213 0.000 0.917 51 E CB 0.427 29.991 29.700 -0.227 0.000 0.965 51 E HN 0.567 nan 8.360 nan 0.000 0.433 52 R N 2.220 122.476 120.500 -0.406 0.000 2.808 52 R HA 0.435 4.781 4.340 0.009 0.000 0.272 52 R C -0.952 175.029 176.300 -0.531 0.000 0.995 52 R CA -0.834 55.035 56.100 -0.385 0.000 0.917 52 R CB 1.493 31.666 30.300 -0.212 0.000 1.217 52 R HN 0.629 nan 8.270 nan 0.000 0.471 53 H N 1.495 120.522 119.070 -0.072 0.000 2.924 53 H HA 0.281 4.842 4.556 0.008 0.000 0.333 53 H C -0.360 174.926 175.328 -0.070 0.000 0.979 53 H CA -0.758 55.249 56.048 -0.068 0.000 1.326 53 H CB 1.320 31.051 29.762 -0.052 0.000 1.600 53 H HN 0.479 nan 8.280 nan 0.000 0.520 54 N N 1.347 120.071 118.700 0.041 0.000 2.725 54 N HA -0.210 4.536 4.740 0.009 0.000 0.251 54 N C -0.170 175.319 175.510 -0.035 0.000 1.031 54 N CA 0.554 53.594 53.050 -0.016 0.000 0.720 54 N CB -0.863 37.628 38.487 0.007 0.000 0.930 54 N HN 0.679 nan 8.380 nan 0.000 0.543 55 M N 0.940 120.497 119.600 -0.072 0.000 2.080 55 M HA 0.310 4.796 4.480 0.009 0.000 0.350 55 M C 0.090 176.333 176.300 -0.095 0.000 1.173 55 M CA -0.541 54.715 55.300 -0.073 0.000 1.052 55 M CB 0.530 33.074 32.600 -0.093 0.000 1.577 55 M HN 0.086 nan 8.290 nan 0.000 0.455 56 I N 5.699 126.241 120.570 -0.047 0.000 2.683 56 I HA -0.038 4.137 4.170 0.009 0.000 0.286 56 I C -0.001 176.069 176.117 -0.078 0.000 1.175 56 I CA 0.097 61.370 61.300 -0.044 0.000 1.429 56 I CB 0.292 38.323 38.000 0.052 0.000 1.371 56 I HN 0.698 nan 8.210 nan 0.000 0.569 57 L N 5.024 126.181 121.223 -0.111 0.000 2.488 57 L HA 0.718 5.063 4.340 0.009 0.000 0.249 57 L C 0.605 177.091 176.870 -0.640 0.000 1.151 57 L CA -0.399 54.336 54.840 -0.174 0.000 0.806 57 L CB 0.859 42.892 42.059 -0.043 0.000 1.261 57 L HN 0.852 nan 8.230 nan 0.000 0.484 58 G N 0.183 108.472 108.800 -0.852 0.000 2.895 58 G HA2 -0.114 3.851 3.960 0.009 0.000 0.686 58 G HA3 -0.114 3.851 3.960 0.009 0.000 0.686 58 G C -0.467 174.018 174.900 -0.691 0.000 1.108 58 G CA -0.086 44.103 45.100 -1.519 0.000 0.761 58 G HN 1.084 nan 8.290 nan 0.000 0.611 59 H N -0.172 118.674 119.070 -0.373 0.000 3.109 59 H HA 0.369 4.930 4.556 0.010 0.000 0.248 59 H C -0.214 175.031 175.328 -0.139 0.000 1.177 59 H CA 0.136 56.077 56.048 -0.177 0.000 0.977 59 H CB 0.738 30.638 29.762 0.231 0.000 2.165 59 H HN 0.534 nan 8.280 nan 0.000 0.693 60 E N 1.700 121.757 120.200 -0.240 0.000 2.267 60 E HA 0.686 5.042 4.350 0.009 0.000 0.248 60 E C -1.131 175.427 176.600 -0.069 0.000 0.899 60 E CA -0.662 55.691 56.400 -0.079 0.000 0.764 60 E CB 2.186 31.862 29.700 -0.040 0.000 1.227 60 E HN 0.487 nan 8.360 nan 0.000 0.421 61 A N 2.237 125.022 122.820 -0.060 0.000 2.486 61 A HA 0.639 4.964 4.320 0.009 0.000 0.300 61 A C -1.006 176.633 177.584 0.091 0.000 1.048 61 A CA -0.603 51.442 52.037 0.014 0.000 0.696 61 A CB 1.500 20.459 19.000 -0.069 0.000 1.278 61 A HN 0.329 nan 8.150 nan 0.000 0.405 62 V N 1.140 121.126 119.914 0.120 0.000 2.532 62 V HA 0.812 4.937 4.120 0.009 0.000 0.295 62 V C 0.795 176.986 176.094 0.162 0.000 1.041 62 V CA 0.449 62.826 62.300 0.128 0.000 0.926 62 V CB 1.633 33.516 31.823 0.101 0.000 0.992 62 V HN 1.370 nan 8.190 nan 0.000 0.457 63 G N 2.522 111.413 108.800 0.151 0.000 2.725 63 G HA2 0.640 4.606 3.960 0.009 0.000 0.288 63 G HA3 0.640 4.606 3.960 0.009 0.000 0.288 63 G C -1.556 173.386 174.900 0.071 0.000 1.399 63 G CA -0.446 44.731 45.100 0.128 0.000 0.859 63 G HN 0.614 nan 8.290 nan 0.000 0.479 64 E N 0.302 120.524 120.200 0.037 0.000 2.145 64 E HA 0.453 4.809 4.350 0.009 0.000 0.270 64 E C -0.505 176.099 176.600 0.006 0.000 0.906 64 E CA -0.576 55.846 56.400 0.037 0.000 0.761 64 E CB 1.866 31.592 29.700 0.043 0.000 1.116 64 E HN 0.196 nan 8.360 nan 0.000 0.408 65 V N 5.312 125.238 119.914 0.019 0.000 2.540 65 V HA -0.042 4.083 4.120 0.009 0.000 0.297 65 V C 1.258 177.365 176.094 0.021 0.000 1.024 65 V CA 0.446 62.747 62.300 0.002 0.000 1.105 65 V CB 0.869 32.718 31.823 0.043 0.000 0.938 65 V HN 0.714 nan 8.190 nan 0.000 0.482 66 V N 1.233 121.151 119.914 0.007 0.000 3.635 66 V HA 0.481 4.606 4.120 0.009 0.000 0.266 66 V C 0.417 176.500 176.094 -0.019 0.000 1.316 66 V CA 0.454 62.765 62.300 0.019 0.000 1.060 66 V CB 0.248 32.114 31.823 0.070 0.000 0.820 66 V HN 0.842 nan 8.190 nan 0.000 0.447 67 E N 0.421 120.599 120.200 -0.037 0.000 2.363 67 E HA 0.577 4.932 4.350 0.009 0.000 0.281 67 E C -1.748 174.828 176.600 -0.040 0.000 0.953 67 E CA -0.466 55.907 56.400 -0.045 0.000 0.778 67 E CB 2.949 32.603 29.700 -0.077 0.000 1.220 67 E HN 0.379 nan 8.360 nan 0.000 0.431 68 V N 0.387 120.285 119.914 -0.027 0.000 2.876 68 V HA 0.901 5.026 4.120 0.009 0.000 0.312 68 V C 0.378 176.449 176.094 -0.037 0.000 1.085 68 V CA -0.238 62.048 62.300 -0.022 0.000 0.945 68 V CB 1.429 33.263 31.823 0.019 0.000 1.017 68 V HN 0.702 nan 8.190 nan 0.000 0.428 69 G N 1.680 110.450 108.800 -0.050 0.000 2.651 69 G HA2 0.367 4.332 3.960 0.009 0.000 0.260 69 G HA3 0.367 4.332 3.960 0.009 0.000 0.260 69 G C 1.051 175.887 174.900 -0.108 0.000 1.216 69 G CA 0.137 45.190 45.100 -0.078 0.000 0.913 69 G HN 1.704 nan 8.290 nan 0.000 0.535 70 S N -1.011 114.606 115.700 -0.138 0.000 2.474 70 S HA -0.040 4.435 4.470 0.009 0.000 0.235 70 S C 1.228 175.720 174.600 -0.179 0.000 0.997 70 S CA 1.273 59.393 58.200 -0.134 0.000 0.949 70 S CB 0.091 63.219 63.200 -0.120 0.000 0.766 70 S HN 0.546 nan 8.310 nan 0.000 0.517 71 E N 0.952 120.964 120.200 -0.315 0.000 2.476 71 E HA 0.270 4.625 4.350 0.009 0.000 0.196 71 E C -0.384 176.112 176.600 -0.173 0.000 1.029 71 E CA -0.067 56.113 56.400 -0.367 0.000 0.896 71 E CB 0.807 29.952 29.700 -0.925 0.000 1.012 71 E HN 0.358 nan 8.360 nan 0.000 0.475 72 V N 2.114 121.974 119.914 -0.091 0.000 2.470 72 V HA 0.049 4.174 4.120 0.009 0.000 0.276 72 V C 1.240 177.357 176.094 0.038 0.000 1.040 72 V CA 0.426 62.747 62.300 0.035 0.000 1.008 72 V CB 1.186 33.047 31.823 0.065 0.000 0.990 72 V HN 0.063 nan 8.190 nan 0.000 0.477 73 K N 1.771 122.207 120.400 0.060 0.000 2.350 73 K HA 0.135 4.460 4.320 0.009 0.000 0.196 73 K C 0.468 177.056 176.600 -0.019 0.000 1.084 73 K CA 0.232 56.530 56.287 0.018 0.000 0.967 73 K CB 0.416 32.925 32.500 0.016 0.000 0.950 73 K HN 0.557 nan 8.250 nan 0.000 0.512 74 D N -0.530 119.847 120.400 -0.039 0.000 2.407 74 D HA 0.143 4.788 4.640 0.009 0.000 0.208 74 D C -0.513 175.431 176.300 -0.594 0.000 1.083 74 D CA 0.335 54.172 54.000 -0.271 0.000 0.844 74 D CB 0.485 41.080 40.800 -0.343 0.000 0.967 74 D HN -0.052 nan 8.370 nan 0.000 0.506 75 F N 0.906 120.891 119.950 0.058 0.000 2.563 75 F HA 0.399 4.931 4.527 0.009 0.000 0.316 75 F C 0.282 176.104 175.800 0.036 0.000 1.076 75 F CA -1.107 56.922 58.000 0.047 0.000 0.921 75 F CB 2.045 41.020 39.000 -0.040 0.000 1.209 75 F HN -0.378 nan 8.300 nan 0.000 0.462 76 K N 0.706 121.231 120.400 0.209 0.000 2.512 76 K HA 0.679 5.004 4.320 0.009 0.000 0.263 76 K C -3.392 173.270 176.600 0.104 0.000 0.966 76 K CA -2.359 53.996 56.287 0.113 0.000 0.851 76 K CB 2.016 34.556 32.500 0.065 0.000 1.395 76 K HN 0.103 nan 8.250 nan 0.000 0.440 77 P HA -0.005 nan 4.420 nan 0.000 0.262 77 P C 0.525 177.860 177.300 0.058 0.000 1.182 77 P CA 1.587 64.716 63.100 0.049 0.000 0.761 77 P CB 0.536 32.252 31.700 0.027 0.000 0.795 78 G N 2.036 110.873 108.800 0.062 0.000 2.232 78 G HA2 -0.181 3.784 3.960 0.009 0.000 0.226 78 G HA3 -0.181 3.784 3.960 0.009 0.000 0.226 78 G C -0.110 174.843 174.900 0.089 0.000 0.996 78 G CA -0.374 44.764 45.100 0.064 0.000 0.626 78 G HN 0.504 nan 8.290 nan 0.000 0.509 79 D N 1.433 121.909 120.400 0.126 0.000 2.390 79 D HA 0.411 5.056 4.640 0.009 0.000 0.249 79 D C 0.935 177.332 176.300 0.161 0.000 1.144 79 D CA 0.121 54.234 54.000 0.190 0.000 0.880 79 D CB 0.531 41.522 40.800 0.320 0.000 1.182 79 D HN 0.366 nan 8.370 nan 0.000 0.451 80 R N 1.125 121.723 120.500 0.163 0.000 2.265 80 R HA 0.433 4.779 4.340 0.009 0.000 0.314 80 R C -0.262 176.128 176.300 0.151 0.000 1.053 80 R CA -0.659 55.520 56.100 0.131 0.000 0.931 80 R CB 1.002 31.369 30.300 0.112 0.000 1.024 80 R HN 0.266 nan 8.270 nan 0.000 0.457 81 V N -0.323 119.652 119.914 0.101 0.000 2.876 81 V HA 0.514 4.639 4.120 0.009 0.000 0.312 81 V C -0.265 175.871 176.094 0.070 0.000 1.085 81 V CA -1.077 61.261 62.300 0.063 0.000 0.945 81 V CB 2.132 33.920 31.823 -0.058 0.000 1.017 81 V HN 0.348 nan 8.190 nan 0.000 0.428 82 V N 3.695 123.647 119.914 0.062 0.000 2.432 82 V HA 0.420 4.545 4.120 0.009 0.000 0.275 82 V C 0.100 176.232 176.094 0.064 0.000 1.043 82 V CA -0.317 62.025 62.300 0.070 0.000 0.925 82 V CB 1.419 33.281 31.823 0.065 0.000 0.985 82 V HN 0.758 nan 8.190 nan 0.000 0.466 83 V N 8.395 128.373 119.914 0.106 0.000 2.350 83 V HA 0.343 4.468 4.120 0.009 0.000 0.276 83 V C -1.993 174.198 176.094 0.162 0.000 1.028 83 V CA -1.814 60.581 62.300 0.157 0.000 0.860 83 V CB 1.510 33.486 31.823 0.255 0.000 0.990 83 V HN 0.737 nan 8.190 nan 0.000 0.453 84 P HA 0.162 nan 4.420 nan 0.000 0.271 84 P C 0.589 178.027 177.300 0.231 0.000 1.218 84 P CA -0.149 63.039 63.100 0.147 0.000 0.780 84 P CB 1.350 33.117 31.700 0.113 0.000 0.901 85 A N 3.011 125.949 122.820 0.198 0.000 1.972 85 A HA -0.084 4.241 4.320 0.009 0.000 0.219 85 A C 1.079 178.803 177.584 0.235 0.000 1.169 85 A CA 1.321 53.522 52.037 0.274 0.000 0.635 85 A CB -0.797 18.284 19.000 0.134 0.000 0.810 85 A HN 0.486 nan 8.150 nan 0.000 0.446 86 I N 1.072 121.709 120.570 0.113 0.000 2.312 86 I HA 0.250 4.426 4.170 0.009 0.000 0.290 86 I C 0.278 176.417 176.117 0.037 0.000 1.008 86 I CA 0.170 61.512 61.300 0.070 0.000 1.226 86 I CB 1.462 39.485 38.000 0.039 0.000 1.371 86 I HN 0.173 nan 8.210 nan 0.000 0.468 87 T N 4.742 119.268 114.554 -0.047 0.000 3.327 87 T HA 0.523 4.878 4.350 0.009 0.000 0.373 87 T C -2.688 171.923 174.700 -0.148 0.000 1.589 87 T CA -2.022 60.039 62.100 -0.065 0.000 1.497 87 T CB 0.610 69.398 68.868 -0.134 0.000 1.032 87 T HN 0.108 nan 8.240 nan 0.000 0.640 88 P HA 0.221 nan 4.420 nan 0.000 0.272 88 P C -0.210 176.838 177.300 -0.420 0.000 1.240 88 P CA -0.262 62.554 63.100 -0.474 0.000 0.791 88 P CB 0.524 31.662 31.700 -0.937 0.000 0.978 89 D N 0.455 120.668 120.400 -0.311 0.000 2.338 89 D HA 0.016 4.661 4.640 0.009 0.000 0.255 89 D C 0.177 176.326 176.300 -0.252 0.000 1.237 89 D CA -0.049 53.841 54.000 -0.182 0.000 0.883 89 D CB -0.005 40.728 40.800 -0.111 0.000 1.087 89 D HN 0.272 nan 8.370 nan 0.000 0.485 90 W N 3.074 124.344 121.300 -0.050 0.000 2.800 90 W HA 0.107 4.772 4.660 0.008 0.000 0.249 90 W C 1.124 177.621 176.519 -0.038 0.000 1.294 90 W CA -0.242 57.077 57.345 -0.045 0.000 1.402 90 W CB 0.287 29.708 29.460 -0.064 0.000 1.126 90 W HN 0.163 nan 8.180 nan 0.000 0.652 91 R N 1.138 121.701 120.500 0.105 0.000 3.785 91 R HA 0.198 4.543 4.340 0.009 0.000 0.255 91 R C -0.120 176.192 176.300 0.020 0.000 1.485 91 R CA 0.100 56.233 56.100 0.054 0.000 1.555 91 R CB -0.176 30.130 30.300 0.010 0.000 1.362 91 R HN -0.130 nan 8.270 nan 0.000 0.702 92 T N -3.899 110.669 114.554 0.023 0.000 2.883 92 T HA 0.149 4.504 4.350 0.009 0.000 0.296 92 T C 1.288 176.005 174.700 0.027 0.000 1.117 92 T CA -0.634 61.471 62.100 0.008 0.000 1.006 92 T CB 1.689 70.545 68.868 -0.019 0.000 1.191 92 T HN 0.125 nan 8.240 nan 0.000 0.508 93 S N 0.413 116.127 115.700 0.024 0.000 2.382 93 S HA -0.153 4.322 4.470 0.009 0.000 0.228 93 S C 1.483 176.116 174.600 0.054 0.000 1.027 93 S CA 1.343 59.565 58.200 0.036 0.000 0.991 93 S CB -0.784 62.431 63.200 0.026 0.000 0.823 93 S HN 0.783 nan 8.310 nan 0.000 0.469 94 E N 1.221 121.451 120.200 0.051 0.000 2.153 94 E HA -0.004 4.351 4.350 0.009 0.000 0.194 94 E C 2.102 178.764 176.600 0.104 0.000 0.988 94 E CA 0.961 57.415 56.400 0.090 0.000 0.811 94 E CB -0.543 29.208 29.700 0.086 0.000 0.746 94 E HN 0.412 nan 8.360 nan 0.000 0.466 95 V N 1.108 121.061 119.914 0.066 0.000 2.343 95 V HA -0.280 3.845 4.120 0.009 0.000 0.247 95 V C 2.096 178.261 176.094 0.119 0.000 1.051 95 V CA 1.836 64.196 62.300 0.101 0.000 1.036 95 V CB -0.482 31.412 31.823 0.118 0.000 0.654 95 V HN 0.312 nan 8.190 nan 0.000 0.451 96 Q N -0.337 119.520 119.800 0.095 0.000 2.291 96 Q HA -0.130 4.215 4.340 0.009 0.000 0.206 96 Q C 2.112 178.158 176.000 0.077 0.000 0.976 96 Q CA 0.968 56.820 55.803 0.081 0.000 0.875 96 Q CB -0.147 28.628 28.738 0.062 0.000 0.927 96 Q HN 0.599 nan 8.270 nan 0.000 0.450 97 R N -0.722 119.835 120.500 0.096 0.000 2.317 97 R HA 0.096 4.441 4.340 0.009 0.000 0.208 97 R C 0.829 177.190 176.300 0.102 0.000 0.914 97 R CA 0.585 56.757 56.100 0.120 0.000 1.060 97 R CB 0.684 31.092 30.300 0.181 0.000 1.015 97 R HN 0.329 nan 8.270 nan 0.000 0.498 98 G N 0.628 109.454 108.800 0.043 0.000 2.131 98 G HA2 -0.277 3.688 3.960 0.009 0.000 0.223 98 G HA3 -0.277 3.688 3.960 0.009 0.000 0.223 98 G C -0.411 174.286 174.900 -0.338 0.000 0.990 98 G CA -0.333 44.695 45.100 -0.121 0.000 0.671 98 G HN 0.354 nan 8.290 nan 0.000 0.521 99 Y N 1.305 121.616 120.300 0.019 0.000 2.584 99 Y HA 0.314 4.869 4.550 0.008 0.000 0.358 99 Y C 1.650 177.462 175.900 -0.147 0.000 1.028 99 Y CA -0.518 57.550 58.100 -0.053 0.000 1.148 99 Y CB -0.225 38.282 38.460 0.079 0.000 1.126 99 Y HN 0.487 nan 8.280 nan 0.000 0.658 100 H N -1.166 117.856 119.070 -0.081 0.000 2.489 100 H HA -0.141 4.420 4.556 0.008 0.000 0.293 100 H C 0.624 175.746 175.328 -0.344 0.000 1.066 100 H CA 1.524 57.381 56.048 -0.318 0.000 1.305 100 H CB 0.279 29.674 29.762 -0.612 0.000 1.386 100 H HN 0.462 nan 8.280 nan 0.000 0.551 101 Q N 0.671 120.140 119.800 -0.552 0.000 2.234 101 Q HA -0.096 4.250 4.340 0.009 0.000 0.206 101 Q C 0.810 176.438 176.000 -0.621 0.000 0.980 101 Q CA 1.205 56.663 55.803 -0.574 0.000 0.869 101 Q CB 0.044 28.305 28.738 -0.794 0.000 0.912 101 Q HN 0.725 nan 8.270 nan 0.000 0.436 102 H N -1.006 118.032 119.070 -0.054 0.000 2.469 102 H HA 0.233 4.794 4.556 0.009 0.000 0.286 102 H C -0.205 175.086 175.328 -0.060 0.000 1.106 102 H CA -0.020 55.995 56.048 -0.054 0.000 1.055 102 H CB 0.043 29.765 29.762 -0.067 0.000 1.618 102 H HN 0.113 nan 8.280 nan 0.000 0.559 103 S N 0.251 115.915 115.700 -0.059 0.000 2.506 103 S HA 0.256 4.731 4.470 0.009 0.000 0.291 103 S C 1.504 176.064 174.600 -0.068 0.000 1.230 103 S CA 0.440 58.588 58.200 -0.086 0.000 1.107 103 S CB 0.213 63.290 63.200 -0.205 0.000 0.942 103 S HN 0.637 nan 8.310 nan 0.000 0.502 104 G N 1.934 110.711 108.800 -0.039 0.000 2.157 104 G HA2 0.283 4.249 3.960 0.009 0.000 0.248 104 G HA3 0.283 4.249 3.960 0.009 0.000 0.248 104 G C 0.735 175.616 174.900 -0.031 0.000 0.979 104 G CA -0.143 44.933 45.100 -0.039 0.000 0.650 104 G HN 2.413 nan 8.290 nan 0.000 0.529 105 G N -1.488 107.306 108.800 -0.009 0.000 2.326 105 G HA2 0.447 4.412 3.960 0.009 0.000 0.413 105 G HA3 0.447 4.412 3.960 0.009 0.000 0.413 105 G C -0.233 174.689 174.900 0.035 0.000 1.444 105 G CA 0.070 45.165 45.100 -0.009 0.000 1.002 105 G HN 1.355 nan 8.290 nan 0.000 0.649 106 M N 1.549 121.148 119.600 -0.001 0.000 2.327 106 M HA 0.377 4.862 4.480 0.009 0.000 0.353 106 M C 1.377 177.755 176.300 0.130 0.000 1.539 106 M CA 0.813 56.130 55.300 0.030 0.000 1.039 106 M CB -0.436 32.100 32.600 -0.107 0.000 1.967 106 M HN 1.112 nan 8.290 nan 0.000 0.459 107 L N 2.792 124.237 121.223 0.370 0.000 5.081 107 L HA -0.316 4.029 4.340 0.009 0.000 0.423 107 L C 1.218 178.132 176.870 0.075 0.000 1.019 107 L CA 0.579 55.542 54.840 0.205 0.000 1.223 107 L CB -2.391 39.768 42.059 0.166 0.000 1.940 107 L HN 0.886 nan 8.230 nan 0.000 0.675 108 A N 0.278 123.111 122.820 0.022 0.000 2.167 108 A HA 0.288 4.613 4.320 0.009 0.000 0.214 108 A C 2.097 179.629 177.584 -0.087 0.000 1.151 108 A CA 1.448 53.449 52.037 -0.060 0.000 0.735 108 A CB -0.420 18.542 19.000 -0.062 0.000 0.802 108 A HN 0.563 nan 8.150 nan 0.000 0.467 109 G N -1.459 107.290 108.800 -0.085 0.000 2.471 109 G HA2 -0.128 3.837 3.960 0.009 0.000 0.219 109 G HA3 -0.128 3.837 3.960 0.009 0.000 0.219 109 G C 0.460 175.351 174.900 -0.016 0.000 1.125 109 G CA 0.439 45.476 45.100 -0.105 0.000 0.775 109 G HN 0.590 nan 8.290 nan 0.000 0.548 110 W N 2.396 123.587 121.300 -0.183 0.000 2.422 110 W HA 0.546 5.211 4.660 0.008 0.000 0.349 110 W C 0.820 177.235 176.519 -0.174 0.000 1.062 110 W CA -1.732 55.507 57.345 -0.178 0.000 1.497 110 W CB 0.434 29.781 29.460 -0.188 0.000 1.407 110 W HN -0.064 nan 8.180 nan 0.000 0.393 111 K N 3.807 124.102 120.400 -0.176 0.000 2.157 111 K HA 0.067 4.392 4.320 0.009 0.000 0.207 111 K C 0.285 176.707 176.600 -0.296 0.000 1.030 111 K CA 0.237 56.327 56.287 -0.328 0.000 0.965 111 K CB -0.330 31.955 32.500 -0.358 0.000 0.877 111 K HN -0.009 nan 8.250 nan 0.000 0.460 112 F N 3.027 122.943 119.950 -0.057 0.000 2.593 112 F HA -0.150 4.383 4.527 0.010 0.000 0.393 112 F C 1.264 177.038 175.800 -0.043 0.000 1.037 112 F CA 0.879 58.864 58.000 -0.025 0.000 1.195 112 F CB -0.361 38.680 39.000 0.068 0.000 1.034 112 F HN 0.369 nan 8.300 nan 0.000 0.552 113 S N 0.554 116.304 115.700 0.084 0.000 3.261 113 S HA -0.347 4.129 4.470 0.009 0.000 0.287 113 S C 0.947 175.395 174.600 -0.254 0.000 1.281 113 S CA 1.231 59.440 58.200 0.016 0.000 1.053 113 S CB -1.926 61.407 63.200 0.222 0.000 1.251 113 S HN 0.770 nan 8.310 nan 0.000 0.659 114 N N 1.420 119.754 118.700 -0.609 0.000 2.765 114 N HA 0.251 4.997 4.740 0.009 0.000 0.230 114 N C 1.238 176.473 175.510 -0.458 0.000 1.022 114 N CA 1.853 54.399 53.050 -0.840 0.000 1.106 114 N CB 0.300 37.829 38.487 -1.597 0.000 1.527 114 N HN 1.119 nan 8.380 nan 0.000 0.507 115 V N -2.496 117.183 119.914 -0.391 0.000 3.166 115 V HA 0.542 4.667 4.120 0.009 0.000 0.332 115 V C 0.004 175.993 176.094 -0.174 0.000 1.434 115 V CA -0.399 61.753 62.300 -0.247 0.000 1.121 115 V CB -0.382 31.304 31.823 -0.228 0.000 1.062 115 V HN 0.245 nan 8.190 nan 0.000 0.489 116 K N 0.300 120.612 120.400 -0.148 0.000 2.562 116 K HA 0.369 4.695 4.320 0.009 0.000 0.267 116 K C -1.518 175.099 176.600 0.029 0.000 0.938 116 K CA -0.631 55.620 56.287 -0.061 0.000 0.840 116 K CB 2.226 34.678 32.500 -0.081 0.000 1.390 116 K HN 0.130 nan 8.250 nan 0.000 0.428 117 D N 1.805 122.248 120.400 0.072 0.000 2.493 117 D HA 0.065 4.710 4.640 0.009 0.000 0.240 117 D C 0.458 176.886 176.300 0.213 0.000 1.142 117 D CA 0.724 54.791 54.000 0.111 0.000 0.872 117 D CB 1.128 42.004 40.800 0.127 0.000 1.173 117 D HN 0.669 nan 8.370 nan 0.000 0.467 118 G N 0.309 109.158 108.800 0.081 0.000 2.531 118 G HA2 0.290 4.256 3.960 0.009 0.000 0.253 118 G HA3 0.290 4.256 3.960 0.009 0.000 0.253 118 G C 1.092 175.797 174.900 -0.325 0.000 1.439 118 G CA -0.085 44.956 45.100 -0.098 0.000 1.056 118 G HN 0.379 nan 8.290 nan 0.000 0.555 119 V N -3.257 116.249 119.914 -0.680 0.000 3.608 119 V HA 0.331 4.456 4.120 0.009 0.000 0.269 119 V C 0.657 176.744 176.094 -0.011 0.000 1.245 119 V CA 0.178 62.035 62.300 -0.738 0.000 1.138 119 V CB -0.660 30.461 31.823 -1.171 0.000 0.841 119 V HN 0.281 nan 8.190 nan 0.000 0.451 120 F N 3.118 123.030 119.950 -0.063 0.000 2.783 120 F HA 0.765 5.299 4.527 0.012 0.000 0.338 120 F C 1.080 176.967 175.800 0.146 0.000 1.178 120 F CA -0.715 57.285 58.000 -0.000 0.000 1.343 120 F CB -0.490 38.455 39.000 -0.091 0.000 1.496 120 F HN 0.313 nan 8.300 nan 0.000 0.583 121 G N -0.524 108.585 108.800 0.515 0.000 2.694 121 G HA2 0.312 4.277 3.960 0.009 0.000 0.290 121 G HA3 0.312 4.277 3.960 0.009 0.000 0.290 121 G C 0.445 175.680 174.900 0.558 0.000 1.386 121 G CA -0.561 44.900 45.100 0.600 0.000 0.872 121 G HN 0.181 nan 8.290 nan 0.000 0.475 122 E N -0.937 119.443 120.200 0.300 0.000 2.160 122 E HA -0.048 4.307 4.350 0.009 0.000 0.195 122 E C -0.328 175.844 176.600 -0.713 0.000 0.991 122 E CA 1.268 57.451 56.400 -0.362 0.000 0.810 122 E CB -0.012 29.422 29.700 -0.442 0.000 0.742 122 E HN 0.355 nan 8.360 nan 0.000 0.466 123 F N -1.229 118.826 119.950 0.175 0.000 2.643 123 F HA 0.420 4.953 4.527 0.010 0.000 0.314 123 F C -0.488 175.448 175.800 0.226 0.000 1.096 123 F CA -1.437 56.611 58.000 0.081 0.000 0.953 123 F CB 1.507 40.522 39.000 0.024 0.000 1.345 123 F HN -0.199 nan 8.300 nan 0.000 0.468 124 F N -1.268 118.872 119.950 0.317 0.000 2.685 124 F HA 0.565 5.097 4.527 0.008 0.000 0.315 124 F C -1.431 174.560 175.800 0.319 0.000 1.126 124 F CA -0.991 57.177 58.000 0.279 0.000 0.950 124 F CB 1.393 40.484 39.000 0.152 0.000 1.360 124 F HN 0.544 nan 8.300 nan 0.000 0.469 125 H N 1.202 120.570 119.070 0.497 0.000 2.459 125 H HA 0.680 5.241 4.556 0.008 0.000 0.332 125 H C -1.698 173.904 175.328 0.457 0.000 1.094 125 H CA -0.582 55.667 56.048 0.335 0.000 1.224 125 H CB 1.901 31.804 29.762 0.235 0.000 1.449 125 H HN 0.620 nan 8.280 nan 0.000 0.484 126 V N 7.211 127.189 119.914 0.106 0.000 2.384 126 V HA 0.096 4.221 4.120 0.009 0.000 0.287 126 V C 0.322 176.377 176.094 -0.064 0.000 1.020 126 V CA -1.132 61.268 62.300 0.167 0.000 0.850 126 V CB 1.170 33.098 31.823 0.175 0.000 0.987 126 V HN 0.805 nan 8.190 nan 0.000 0.436 127 N N 3.398 122.168 118.700 0.117 0.000 2.520 127 N HA 0.053 4.798 4.740 0.009 0.000 0.273 127 N C -0.007 175.566 175.510 0.105 0.000 1.155 127 N CA -0.164 52.979 53.050 0.155 0.000 0.967 127 N CB 1.022 39.613 38.487 0.174 0.000 1.092 127 N HN 0.710 nan 8.380 nan 0.000 0.457 128 D N 0.456 120.936 120.400 0.134 0.000 2.927 128 D HA -0.192 4.453 4.640 0.009 0.000 0.236 128 D C 1.024 177.384 176.300 0.100 0.000 1.163 128 D CA 0.726 54.819 54.000 0.155 0.000 0.801 128 D CB -0.841 40.064 40.800 0.176 0.000 0.975 128 D HN 0.729 nan 8.370 nan 0.000 0.413 129 A N 2.180 125.037 122.820 0.061 0.000 1.892 129 A HA -0.259 4.067 4.320 0.009 0.000 0.218 129 A C 1.892 179.480 177.584 0.006 0.000 1.188 129 A CA 2.056 54.063 52.037 -0.049 0.000 0.631 129 A CB -0.153 18.822 19.000 -0.042 0.000 0.822 129 A HN 0.487 nan 8.150 nan 0.000 0.447 130 D N -0.967 119.537 120.400 0.174 0.000 2.219 130 D HA -0.076 4.569 4.640 0.009 0.000 0.205 130 D C 1.804 178.168 176.300 0.106 0.000 0.970 130 D CA 0.956 55.109 54.000 0.254 0.000 0.851 130 D CB -0.152 40.759 40.800 0.185 0.000 0.943 130 D HN 0.343 nan 8.370 nan 0.000 0.488 131 M N -0.419 119.179 119.600 -0.004 0.000 2.510 131 M HA 0.062 4.547 4.480 0.009 0.000 0.256 131 M C 0.620 176.879 176.300 -0.069 0.000 1.132 131 M CA 0.606 55.792 55.300 -0.191 0.000 1.105 131 M CB 0.121 32.456 32.600 -0.442 0.000 1.375 131 M HN -0.102 nan 8.290 nan 0.000 0.477 132 N N -0.011 118.706 118.700 0.029 0.000 2.160 132 N HA 0.347 5.092 4.740 0.009 0.000 0.226 132 N C -0.401 175.089 175.510 -0.032 0.000 1.256 132 N CA 0.132 53.227 53.050 0.075 0.000 0.890 132 N CB 1.812 40.381 38.487 0.136 0.000 1.116 132 N HN 0.233 nan 8.380 nan 0.000 0.517 133 L N 0.306 121.412 121.223 -0.194 0.000 2.341 133 L HA 0.837 5.182 4.340 0.009 0.000 0.267 133 L C -0.417 176.347 176.870 -0.178 0.000 1.009 133 L CA -1.000 53.618 54.840 -0.370 0.000 0.819 133 L CB 2.084 43.498 42.059 -1.075 0.000 1.323 133 L HN -0.137 nan 8.230 nan 0.000 0.425 134 A N 0.231 123.008 122.820 -0.071 0.000 2.386 134 A HA 0.570 4.896 4.320 0.009 0.000 0.311 134 A C -0.955 176.701 177.584 0.121 0.000 1.068 134 A CA -0.625 51.473 52.037 0.101 0.000 0.743 134 A CB 0.880 19.930 19.000 0.083 0.000 1.258 134 A HN 0.701 nan 8.150 nan 0.000 0.429 135 H N 1.094 120.339 119.070 0.292 0.000 2.848 135 H HA 0.171 4.732 4.556 0.009 0.000 0.341 135 H C -0.574 174.815 175.328 0.102 0.000 1.060 135 H CA 0.352 56.523 56.048 0.206 0.000 1.444 135 H CB 1.301 31.124 29.762 0.102 0.000 1.446 135 H HN 0.485 nan 8.280 nan 0.000 0.583 136 L N 6.753 128.102 121.223 0.209 0.000 2.260 136 L HA 0.311 4.656 4.340 0.009 0.000 0.289 136 L C -2.230 174.706 176.870 0.109 0.000 1.057 136 L CA -1.564 53.355 54.840 0.132 0.000 0.811 136 L CB 0.670 42.798 42.059 0.115 0.000 1.184 136 L HN 0.390 nan 8.230 nan 0.000 0.429 137 P HA 0.103 nan 4.420 nan 0.000 0.268 137 P C -0.012 177.349 177.300 0.101 0.000 1.205 137 P CA -0.218 62.925 63.100 0.072 0.000 0.771 137 P CB 0.420 32.165 31.700 0.076 0.000 0.858 138 K N 1.779 122.232 120.400 0.088 0.000 2.280 138 K HA -0.184 4.141 4.320 0.009 0.000 0.202 138 K C 0.632 177.278 176.600 0.077 0.000 1.047 138 K CA 1.557 57.889 56.287 0.075 0.000 0.942 138 K CB -0.204 32.330 32.500 0.057 0.000 0.739 138 K HN 0.262 nan 8.250 nan 0.000 0.457 139 E N 0.851 121.117 120.200 0.110 0.000 2.427 139 E HA 0.130 4.485 4.350 0.009 0.000 0.196 139 E C -0.020 176.608 176.600 0.047 0.000 1.028 139 E CA 0.393 56.833 56.400 0.066 0.000 0.864 139 E CB 0.119 29.852 29.700 0.056 0.000 0.813 139 E HN 0.368 nan 8.360 nan 0.000 0.514 140 I N 2.733 123.352 120.570 0.083 0.000 2.312 140 I HA 0.235 4.410 4.170 0.009 0.000 0.290 140 I C -2.157 173.992 176.117 0.055 0.000 1.008 140 I CA -2.555 58.785 61.300 0.066 0.000 1.226 140 I CB 1.120 39.174 38.000 0.090 0.000 1.371 140 I HN -0.159 nan 8.210 nan 0.000 0.468 141 P HA 0.142 nan 4.420 nan 0.000 0.272 141 P C 0.902 178.229 177.300 0.046 0.000 1.230 141 P CA -0.344 62.779 63.100 0.038 0.000 0.788 141 P CB 1.136 32.852 31.700 0.027 0.000 0.949 142 L N 0.681 121.932 121.223 0.046 0.000 2.042 142 L HA -0.241 4.105 4.340 0.009 0.000 0.210 142 L C 2.207 179.108 176.870 0.052 0.000 1.076 142 L CA 1.878 56.751 54.840 0.054 0.000 0.749 142 L CB -0.686 41.406 42.059 0.054 0.000 0.893 142 L HN 0.380 nan 8.230 nan 0.000 0.432 143 E N 0.116 120.341 120.200 0.042 0.000 2.077 143 E HA -0.191 4.165 4.350 0.009 0.000 0.193 143 E C 2.247 178.876 176.600 0.048 0.000 0.989 143 E CA 1.377 57.801 56.400 0.041 0.000 0.800 143 E CB -0.293 29.423 29.700 0.026 0.000 0.746 143 E HN 0.473 nan 8.360 nan 0.000 0.452 144 A N 0.964 123.813 122.820 0.048 0.000 1.898 144 A HA -0.031 4.294 4.320 0.009 0.000 0.216 144 A C 2.366 179.982 177.584 0.053 0.000 1.181 144 A CA 1.648 53.717 52.037 0.054 0.000 0.620 144 A CB -0.811 18.219 19.000 0.050 0.000 0.819 144 A HN 0.284 nan 8.150 nan 0.000 0.442 145 A N -0.852 122.001 122.820 0.054 0.000 1.972 145 A HA -0.019 4.306 4.320 0.009 0.000 0.219 145 A C 2.169 179.787 177.584 0.057 0.000 1.169 145 A CA 1.659 53.730 52.037 0.057 0.000 0.635 145 A CB -0.855 18.184 19.000 0.065 0.000 0.810 145 A HN 0.715 nan 8.150 nan 0.000 0.446 146 V N -0.147 119.803 119.914 0.060 0.000 3.380 146 V HA -0.077 4.048 4.120 0.009 0.000 0.268 146 V C 1.778 177.906 176.094 0.057 0.000 1.168 146 V CA 1.218 63.556 62.300 0.062 0.000 1.156 146 V CB -0.522 31.342 31.823 0.069 0.000 0.785 146 V HN 0.510 nan 8.190 nan 0.000 0.487 147 M N -0.906 118.726 119.600 0.054 0.000 2.595 147 M HA 0.144 4.630 4.480 0.009 0.000 0.248 147 M C 1.780 178.103 176.300 0.038 0.000 1.119 147 M CA 1.211 56.542 55.300 0.052 0.000 1.079 147 M CB -0.507 32.128 32.600 0.058 0.000 1.472 147 M HN 0.333 nan 8.290 nan 0.000 0.501 148 I N 0.413 121.002 120.570 0.032 0.000 2.333 148 I HA -0.122 4.054 4.170 0.009 0.000 0.246 148 I C -0.548 175.585 176.117 0.026 0.000 1.106 148 I CA 0.908 62.215 61.300 0.012 0.000 1.411 148 I CB -1.754 36.251 38.000 0.010 0.000 1.082 148 I HN 0.120 nan 8.210 nan 0.000 0.420 149 P HA -0.164 nan 4.420 nan 0.000 0.219 149 P C 0.775 178.115 177.300 0.067 0.000 1.146 149 P CA 1.656 64.796 63.100 0.067 0.000 0.808 149 P CB 0.167 31.917 31.700 0.083 0.000 0.779 150 D N -3.818 116.620 120.400 0.063 0.000 2.690 150 D HA 0.053 4.699 4.640 0.009 0.000 0.235 150 D C 1.682 178.013 176.300 0.052 0.000 1.327 150 D CA 0.353 54.388 54.000 0.057 0.000 1.264 150 D CB -0.582 40.288 40.800 0.117 0.000 1.574 150 D HN -0.289 nan 8.370 nan 0.000 0.421 151 M N 0.512 120.148 119.600 0.061 0.000 2.086 151 M HA -0.028 4.458 4.480 0.009 0.000 0.261 151 M C 2.366 178.715 176.300 0.083 0.000 1.067 151 M CA 1.316 56.655 55.300 0.066 0.000 1.116 151 M CB -0.980 31.657 32.600 0.062 0.000 1.348 151 M HN 0.184 nan 8.290 nan 0.000 0.407 152 M N -1.088 118.550 119.600 0.062 0.000 2.099 152 M HA -0.164 4.322 4.480 0.009 0.000 0.262 152 M C 2.356 178.713 176.300 0.096 0.000 1.067 152 M CA 1.909 57.248 55.300 0.065 0.000 1.124 152 M CB -0.742 31.796 32.600 -0.103 0.000 1.353 152 M HN 0.339 nan 8.290 nan 0.000 0.410 153 T N -0.223 114.353 114.554 0.036 0.000 2.746 153 T HA -0.132 4.223 4.350 0.009 0.000 0.267 153 T C 1.625 176.397 174.700 0.120 0.000 1.039 153 T CA 2.109 64.239 62.100 0.050 0.000 1.142 153 T CB -0.160 68.713 68.868 0.010 0.000 0.866 153 T HN 0.379 nan 8.240 nan 0.000 0.444 154 T N 0.365 114.979 114.554 0.100 0.000 2.770 154 T HA 0.089 4.445 4.350 0.009 0.000 0.263 154 T C 2.061 176.858 174.700 0.161 0.000 1.039 154 T CA 1.203 63.371 62.100 0.113 0.000 1.142 154 T CB -0.990 67.910 68.868 0.053 0.000 0.868 154 T HN 0.511 nan 8.240 nan 0.000 0.435 155 G N 0.491 109.385 108.800 0.156 0.000 2.440 155 G HA2 -0.150 3.815 3.960 0.009 0.000 0.218 155 G HA3 -0.150 3.815 3.960 0.009 0.000 0.218 155 G C 1.310 176.282 174.900 0.121 0.000 1.154 155 G CA 0.374 45.543 45.100 0.114 0.000 0.767 155 G HN 0.473 nan 8.290 nan 0.000 0.552 156 F N -0.216 119.753 119.950 0.032 0.000 2.234 156 F HA 0.002 4.533 4.527 0.008 0.000 0.299 156 F C 2.528 178.385 175.800 0.096 0.000 1.087 156 F CA 1.238 59.267 58.000 0.047 0.000 1.340 156 F CB -0.147 38.875 39.000 0.036 0.000 1.031 156 F HN 0.172 nan 8.300 nan 0.000 0.500 157 H N 0.002 119.172 119.070 0.167 0.000 2.421 157 H HA -0.053 4.508 4.556 0.008 0.000 0.298 157 H C 2.349 177.710 175.328 0.055 0.000 1.087 157 H CA 1.244 57.347 56.048 0.092 0.000 1.330 157 H CB -0.702 29.100 29.762 0.067 0.000 1.388 157 H HN 0.202 nan 8.280 nan 0.000 0.526 158 G N -0.225 108.602 108.800 0.045 0.000 2.421 158 G HA2 -0.266 3.699 3.960 0.009 0.000 0.216 158 G HA3 -0.266 3.699 3.960 0.009 0.000 0.216 158 G C 1.936 176.798 174.900 -0.065 0.000 1.171 158 G CA 1.011 46.090 45.100 -0.034 0.000 0.775 158 G HN 0.575 nan 8.290 nan 0.000 0.543 159 A N 0.808 123.593 122.820 -0.058 0.000 1.902 159 A HA -0.005 4.321 4.320 0.009 0.000 0.217 159 A C 2.154 179.707 177.584 -0.052 0.000 1.181 159 A CA 1.949 53.945 52.037 -0.069 0.000 0.623 159 A CB -0.404 18.520 19.000 -0.127 0.000 0.818 159 A HN 0.462 nan 8.150 nan 0.000 0.443 160 E N -0.124 120.055 120.200 -0.035 0.000 2.058 160 E HA -0.177 4.178 4.350 0.009 0.000 0.194 160 E C 1.914 178.422 176.600 -0.152 0.000 0.997 160 E CA 1.357 57.730 56.400 -0.045 0.000 0.801 160 E CB -0.328 29.398 29.700 0.044 0.000 0.746 160 E HN 0.622 nan 8.360 nan 0.000 0.450 161 L N 0.352 121.412 121.223 -0.272 0.000 2.131 161 L HA -0.122 4.223 4.340 0.009 0.000 0.210 161 L C 2.306 179.046 176.870 -0.217 0.000 1.092 161 L CA 0.732 55.382 54.840 -0.318 0.000 0.759 161 L CB -0.300 41.580 42.059 -0.298 0.000 0.903 161 L HN 0.129 nan 8.230 nan 0.000 0.435 162 A N -0.536 122.234 122.820 -0.084 0.000 2.235 162 A HA -0.114 4.211 4.320 0.009 0.000 0.208 162 A C 1.019 178.605 177.584 0.003 0.000 1.172 162 A CA 0.563 52.606 52.037 0.010 0.000 0.786 162 A CB -0.584 18.424 19.000 0.015 0.000 0.804 162 A HN 0.601 nan 8.150 nan 0.000 0.479 163 N N -0.968 117.700 118.700 -0.053 0.000 2.738 163 N HA -0.158 4.587 4.740 0.009 0.000 0.249 163 N C -0.562 174.949 175.510 0.002 0.000 1.047 163 N CA 0.593 53.623 53.050 -0.033 0.000 0.707 163 N CB -2.028 36.448 38.487 -0.018 0.000 0.937 163 N HN 0.547 nan 8.380 nan 0.000 0.545 164 I N 0.407 120.976 120.570 -0.001 0.000 2.556 164 I HA 0.010 4.185 4.170 0.009 0.000 0.284 164 I C 0.965 177.087 176.117 0.009 0.000 1.114 164 I CA 0.193 61.498 61.300 0.007 0.000 1.418 164 I CB 0.486 38.484 38.000 -0.003 0.000 1.394 164 I HN 0.036 nan 8.210 nan 0.000 0.552 165 K N 5.297 125.705 120.400 0.012 0.000 2.258 165 K HA 0.460 4.785 4.320 0.009 0.000 0.236 165 K C -0.753 175.851 176.600 0.007 0.000 1.008 165 K CA -1.302 54.992 56.287 0.011 0.000 0.869 165 K CB 1.449 33.957 32.500 0.013 0.000 1.171 165 K HN 0.289 nan 8.250 nan 0.000 0.447 166 L N 1.389 122.615 121.223 0.005 0.000 2.615 166 L HA 0.125 4.471 4.340 0.009 0.000 0.271 166 L C 1.057 177.926 176.870 -0.001 0.000 1.183 166 L CA 1.881 56.722 54.840 0.001 0.000 0.933 166 L CB -0.622 41.438 42.059 0.001 0.000 1.199 166 L HN 0.962 nan 8.230 nan 0.000 0.487 167 G N 2.479 111.276 108.800 -0.006 0.000 2.179 167 G HA2 -0.267 3.698 3.960 0.009 0.000 0.260 167 G HA3 -0.267 3.698 3.960 0.009 0.000 0.260 167 G C 0.269 175.170 174.900 0.001 0.000 0.977 167 G CA 0.152 45.249 45.100 -0.006 0.000 0.641 167 G HN 0.660 nan 8.290 nan 0.000 0.533 168 D N 1.246 121.651 120.400 0.007 0.000 2.472 168 D HA 0.394 5.039 4.640 0.009 0.000 0.237 168 D C 0.814 177.129 176.300 0.025 0.000 1.141 168 D CA 0.835 54.846 54.000 0.020 0.000 0.875 168 D CB 0.691 41.505 40.800 0.023 0.000 1.192 168 D HN 0.117 nan 8.370 nan 0.000 0.450 169 T N 1.690 116.274 114.554 0.049 0.000 2.749 169 T HA 0.380 4.735 4.350 0.009 0.000 0.295 169 T C 0.054 174.820 174.700 0.110 0.000 0.936 169 T CA -0.527 61.624 62.100 0.086 0.000 1.060 169 T CB 0.733 69.682 68.868 0.135 0.000 0.904 169 T HN -0.022 nan 8.240 nan 0.000 0.500 170 V N 2.694 122.680 119.914 0.120 0.000 2.680 170 V HA 0.510 4.635 4.120 0.009 0.000 0.309 170 V C -0.132 176.070 176.094 0.179 0.000 1.052 170 V CA -0.978 61.384 62.300 0.103 0.000 0.908 170 V CB 2.001 33.849 31.823 0.043 0.000 1.001 170 V HN 1.036 nan 8.190 nan 0.000 0.431 171 C N 5.002 124.378 119.300 0.126 0.000 2.345 171 C HA 0.781 5.246 4.460 0.009 0.000 0.323 171 C C -0.273 174.748 174.990 0.051 0.000 1.276 171 C CA -0.257 58.833 59.018 0.120 0.000 1.543 171 C CB 0.582 28.340 27.740 0.030 0.000 2.211 171 C HN 0.712 nan 8.230 nan 0.000 0.493 172 V N 8.071 128.014 119.914 0.049 0.000 2.350 172 V HA 0.405 4.530 4.120 0.009 0.000 0.276 172 V C 0.091 176.193 176.094 0.013 0.000 1.028 172 V CA -0.144 62.165 62.300 0.015 0.000 0.860 172 V CB 1.181 33.008 31.823 0.007 0.000 0.990 172 V HN 0.730 nan 8.190 nan 0.000 0.453 173 I N 4.681 125.246 120.570 -0.008 0.000 2.307 173 I HA 0.699 4.874 4.170 0.009 0.000 0.289 173 I C 0.720 176.842 176.117 0.010 0.000 1.021 173 I CA -0.107 61.192 61.300 -0.003 0.000 1.224 173 I CB 1.211 39.194 38.000 -0.029 0.000 1.376 173 I HN 0.862 nan 8.210 nan 0.000 0.470 174 G N 6.766 115.589 108.800 0.039 0.000 3.434 174 G HA2 -0.090 3.876 3.960 0.009 0.000 0.686 174 G HA3 -0.090 3.876 3.960 0.009 0.000 0.686 174 G C -0.570 174.354 174.900 0.041 0.000 1.099 174 G CA -0.700 44.428 45.100 0.046 0.000 0.931 174 G HN 0.883 nan 8.290 nan 0.000 0.520 175 I N 0.938 121.538 120.570 0.051 0.000 3.061 175 I HA 0.589 4.765 4.170 0.009 0.000 0.341 175 I C 0.927 177.074 176.117 0.050 0.000 1.457 175 I CA -0.314 61.014 61.300 0.046 0.000 0.921 175 I CB 0.386 38.414 38.000 0.047 0.000 1.845 175 I HN 0.670 nan 8.210 nan 0.000 0.535 176 G N 2.489 111.319 108.800 0.049 0.000 2.525 176 G HA2 0.292 4.257 3.960 0.009 0.000 0.276 176 G HA3 0.292 4.257 3.960 0.009 0.000 0.276 176 G C -1.288 173.644 174.900 0.053 0.000 1.388 176 G CA -0.682 44.449 45.100 0.052 0.000 1.050 176 G HN 0.223 nan 8.290 nan 0.000 0.520 177 P HA -0.100 nan 4.420 nan 0.000 0.216 177 P C 2.043 179.368 177.300 0.042 0.000 1.150 177 P CA 0.908 64.043 63.100 0.059 0.000 0.837 177 P CB -0.039 31.701 31.700 0.066 0.000 0.786 178 V N 0.684 120.625 119.914 0.045 0.000 2.295 178 V HA -0.152 3.973 4.120 0.009 0.000 0.246 178 V C 2.883 178.988 176.094 0.019 0.000 1.049 178 V CA 2.535 64.860 62.300 0.043 0.000 1.024 178 V CB -1.934 29.922 31.823 0.055 0.000 0.648 178 V HN 0.172 nan 8.190 nan 0.000 0.447 179 G N -0.470 108.342 108.800 0.019 0.000 2.432 179 G HA2 -0.180 3.785 3.960 0.009 0.000 0.219 179 G HA3 -0.180 3.785 3.960 0.009 0.000 0.219 179 G C 1.587 176.478 174.900 -0.016 0.000 1.135 179 G CA 0.745 45.847 45.100 0.003 0.000 0.767 179 G HN 0.464 nan 8.290 nan 0.000 0.550 180 L N -0.034 121.187 121.223 -0.004 0.000 2.046 180 L HA -0.053 4.292 4.340 0.009 0.000 0.208 180 L C 2.998 179.747 176.870 -0.203 0.000 1.077 180 L CA 0.717 55.545 54.840 -0.020 0.000 0.747 180 L CB -0.297 41.808 42.059 0.078 0.000 0.896 180 L HN 0.141 nan 8.230 nan 0.000 0.432 181 M N -0.917 118.583 119.600 -0.166 0.000 2.296 181 M HA -0.119 4.367 4.480 0.009 0.000 0.265 181 M C 2.432 178.581 176.300 -0.253 0.000 1.064 181 M CA 1.297 56.500 55.300 -0.162 0.000 1.109 181 M CB -0.945 31.686 32.600 0.051 0.000 1.396 181 M HN 0.159 nan 8.290 nan 0.000 0.430 182 S N 0.263 115.864 115.700 -0.165 0.000 2.383 182 S HA -0.060 4.416 4.470 0.009 0.000 0.227 182 S C 2.134 176.610 174.600 -0.207 0.000 1.026 182 S CA 0.839 58.925 58.200 -0.190 0.000 0.981 182 S CB -0.237 62.912 63.200 -0.085 0.000 0.818 182 S HN 0.256 nan 8.310 nan 0.000 0.472 183 V N 2.217 122.047 119.914 -0.140 0.000 2.255 183 V HA -0.236 3.889 4.120 0.009 0.000 0.247 183 V C 2.704 178.723 176.094 -0.126 0.000 1.051 183 V CA 1.836 64.084 62.300 -0.087 0.000 1.018 183 V CB -1.249 30.575 31.823 0.001 0.000 0.641 183 V HN 0.545 nan 8.190 nan 0.000 0.445 184 A N 0.418 123.114 122.820 -0.207 0.000 1.908 184 A HA -0.126 4.199 4.320 0.009 0.000 0.218 184 A C 2.419 179.803 177.584 -0.333 0.000 1.181 184 A CA 2.092 54.039 52.037 -0.150 0.000 0.627 184 A CB -1.287 17.574 19.000 -0.230 0.000 0.818 184 A HN 0.548 nan 8.150 nan 0.000 0.445 185 G N -0.581 107.626 108.800 -0.988 0.000 2.421 185 G HA2 -0.001 3.964 3.960 0.009 0.000 0.216 185 G HA3 -0.001 3.964 3.960 0.009 0.000 0.216 185 G C 1.768 176.441 174.900 -0.378 0.000 1.171 185 G CA 1.498 45.861 45.100 -1.229 0.000 0.775 185 G HN 0.824 nan 8.290 nan 0.000 0.543 186 A N 1.161 123.831 122.820 -0.250 0.000 1.908 186 A HA -0.155 4.170 4.320 0.009 0.000 0.218 186 A C 2.212 179.747 177.584 -0.081 0.000 1.181 186 A CA 2.183 54.150 52.037 -0.116 0.000 0.627 186 A CB -0.613 18.337 19.000 -0.084 0.000 0.818 186 A HN 0.427 nan 8.150 nan 0.000 0.445 187 N N -0.402 118.247 118.700 -0.085 0.000 2.166 187 N HA -0.162 4.583 4.740 0.009 0.000 0.186 187 N C 1.188 176.580 175.510 -0.197 0.000 1.019 187 N CA 1.705 54.688 53.050 -0.113 0.000 0.856 187 N CB -0.497 37.940 38.487 -0.084 0.000 0.993 187 N HN 0.668 nan 8.380 nan 0.000 0.426 188 H N -0.954 118.105 119.070 -0.017 0.000 2.543 188 H HA 0.284 4.845 4.556 0.009 0.000 0.269 188 H C 0.636 175.999 175.328 0.057 0.000 1.005 188 H CA 0.317 56.403 56.048 0.064 0.000 1.146 188 H CB 0.265 30.147 29.762 0.199 0.000 1.353 188 H HN 0.172 nan 8.280 nan 0.000 0.595 189 L N -1.112 120.151 121.223 0.066 0.000 2.959 189 L HA 0.307 4.653 4.340 0.009 0.000 0.259 189 L C 0.991 177.868 176.870 0.011 0.000 1.185 189 L CA 0.281 55.150 54.840 0.048 0.000 0.998 189 L CB 0.764 42.843 42.059 0.034 0.000 1.337 189 L HN 0.437 nan 8.230 nan 0.000 0.555 190 G N 0.503 109.293 108.800 -0.015 0.000 2.131 190 G HA2 -0.227 3.738 3.960 0.009 0.000 0.223 190 G HA3 -0.227 3.738 3.960 0.009 0.000 0.223 190 G C 0.439 175.323 174.900 -0.028 0.000 0.990 190 G CA -0.036 45.050 45.100 -0.024 0.000 0.671 190 G HN 0.454 nan 8.290 nan 0.000 0.521 191 A N -0.178 122.622 122.820 -0.034 0.000 2.520 191 A HA 0.661 4.986 4.320 0.009 0.000 0.235 191 A C 1.563 179.124 177.584 -0.038 0.000 1.065 191 A CA 1.489 53.508 52.037 -0.030 0.000 0.764 191 A CB 0.291 19.272 19.000 -0.032 0.000 1.002 191 A HN 1.583 nan 8.150 nan 0.000 0.502 192 G N 0.594 109.376 108.800 -0.031 0.000 2.722 192 G HA2 0.237 4.202 3.960 0.009 0.000 0.201 192 G HA3 0.237 4.202 3.960 0.009 0.000 0.201 192 G C 0.668 175.529 174.900 -0.065 0.000 1.926 192 G CA -0.070 45.006 45.100 -0.041 0.000 0.872 192 G HN 0.884 nan 8.290 nan 0.000 0.581 193 R N 0.102 120.556 120.500 -0.076 0.000 2.491 193 R HA 0.400 4.745 4.340 0.009 0.000 0.283 193 R C -0.891 175.319 176.300 -0.150 0.000 1.072 193 R CA 0.065 56.071 56.100 -0.157 0.000 1.048 193 R CB 0.093 30.279 30.300 -0.191 0.000 0.983 193 R HN 0.249 nan 8.270 nan 0.000 0.450 194 I N 5.510 125.951 120.570 -0.215 0.000 2.468 194 I HA 0.223 4.398 4.170 0.009 0.000 0.284 194 I C -0.882 175.122 176.117 -0.190 0.000 1.038 194 I CA -0.634 60.595 61.300 -0.118 0.000 1.083 194 I CB 1.321 39.284 38.000 -0.061 0.000 1.223 194 I HN 0.486 nan 8.210 nan 0.000 0.443 195 F N 4.669 124.605 119.950 -0.023 0.000 2.396 195 F HA 0.620 5.152 4.527 0.008 0.000 0.343 195 F C 0.732 176.515 175.800 -0.029 0.000 1.104 195 F CA -0.329 57.654 58.000 -0.028 0.000 1.161 195 F CB 1.305 40.284 39.000 -0.034 0.000 1.146 195 F HN 0.425 nan 8.300 nan 0.000 0.522 196 A N 3.054 125.961 122.820 0.145 0.000 2.343 196 A HA 0.723 5.048 4.320 0.009 0.000 0.308 196 A C -1.278 176.342 177.584 0.060 0.000 1.092 196 A CA -0.675 51.409 52.037 0.079 0.000 0.751 196 A CB 0.992 20.021 19.000 0.047 0.000 1.203 196 A HN 0.515 nan 8.150 nan 0.000 0.452 197 V N 2.453 122.387 119.914 0.033 0.000 2.350 197 V HA 0.779 4.905 4.120 0.009 0.000 0.276 197 V C 0.728 176.853 176.094 0.052 0.000 1.028 197 V CA 0.606 62.900 62.300 -0.010 0.000 0.860 197 V CB 0.847 32.633 31.823 -0.061 0.000 0.990 197 V HN 1.339 nan 8.190 nan 0.000 0.453 198 G N 2.792 111.638 108.800 0.077 0.000 2.550 198 G HA2 0.541 4.506 3.960 0.009 0.000 0.293 198 G HA3 0.541 4.506 3.960 0.009 0.000 0.293 198 G C 0.020 175.023 174.900 0.172 0.000 1.402 198 G CA 0.265 45.447 45.100 0.136 0.000 0.784 198 G HN 0.722 nan 8.290 nan 0.000 0.482 199 S N -1.485 114.309 115.700 0.156 0.000 2.691 199 S HA 0.275 4.751 4.470 0.009 0.000 0.258 199 S C 0.659 175.315 174.600 0.093 0.000 1.078 199 S CA -0.269 58.019 58.200 0.147 0.000 1.000 199 S CB 0.319 63.607 63.200 0.147 0.000 0.942 199 S HN 0.508 nan 8.310 nan 0.000 0.521 200 R N 1.763 122.311 120.500 0.081 0.000 2.298 200 R HA 0.356 4.701 4.340 0.009 0.000 0.310 200 R C 0.864 177.212 176.300 0.080 0.000 1.068 200 R CA -0.371 55.775 56.100 0.077 0.000 0.957 200 R CB 0.843 31.191 30.300 0.080 0.000 1.003 200 R HN 0.105 nan 8.270 nan 0.000 0.454 201 K N 1.904 122.354 120.400 0.083 0.000 2.063 201 K HA -0.239 4.086 4.320 0.009 0.000 0.208 201 K C 1.731 178.392 176.600 0.102 0.000 1.048 201 K CA 1.867 58.203 56.287 0.081 0.000 0.928 201 K CB -0.324 32.222 32.500 0.077 0.000 0.713 201 K HN 0.587 nan 8.250 nan 0.000 0.442 202 H N -0.835 118.254 119.070 0.032 0.000 2.389 202 H HA -0.015 4.550 4.556 0.013 0.000 0.299 202 H C 1.704 177.055 175.328 0.038 0.000 1.081 202 H CA 1.973 58.038 56.048 0.028 0.000 1.345 202 H CB -0.480 29.299 29.762 0.029 0.000 1.393 202 H HN 0.302 nan 8.280 nan 0.000 0.520 203 C N -0.703 118.583 119.300 -0.023 0.000 2.446 203 C HA -0.119 4.346 4.460 0.009 0.000 0.277 203 C C 3.122 178.083 174.990 -0.048 0.000 1.275 203 C CA 0.828 59.811 59.018 -0.058 0.000 1.727 203 C CB -1.093 26.664 27.740 0.028 0.000 2.010 203 C HN 0.749 nan 8.230 nan 0.000 0.486 204 C N 0.678 119.972 119.300 -0.009 0.000 2.429 204 C HA -0.119 4.346 4.460 0.009 0.000 0.277 204 C C 2.323 177.296 174.990 -0.029 0.000 1.262 204 C CA 1.155 60.172 59.018 -0.001 0.000 1.733 204 C CB -1.313 26.440 27.740 0.021 0.000 2.010 204 C HN 0.587 nan 8.230 nan 0.000 0.483 205 D N 1.023 121.391 120.400 -0.053 0.000 2.117 205 D HA -0.081 4.564 4.640 0.009 0.000 0.197 205 D C 1.995 178.224 176.300 -0.118 0.000 0.987 205 D CA 1.101 55.061 54.000 -0.067 0.000 0.829 205 D CB -0.314 40.463 40.800 -0.038 0.000 0.961 205 D HN 0.296 nan 8.370 nan 0.000 0.460 206 I N 1.020 121.472 120.570 -0.197 0.000 2.439 206 I HA -0.105 4.070 4.170 0.009 0.000 0.251 206 I C 2.412 178.494 176.117 -0.058 0.000 1.139 206 I CA 0.397 61.581 61.300 -0.194 0.000 1.438 206 I CB -1.285 36.578 38.000 -0.230 0.000 1.085 206 I HN -0.136 nan 8.210 nan 0.000 0.427 207 A N 1.241 124.064 122.820 0.006 0.000 1.908 207 A HA -0.176 4.149 4.320 0.009 0.000 0.218 207 A C 2.404 180.012 177.584 0.040 0.000 1.181 207 A CA 1.366 53.446 52.037 0.071 0.000 0.627 207 A CB -0.839 18.188 19.000 0.045 0.000 0.818 207 A HN 0.389 nan 8.150 nan 0.000 0.445 208 L N -0.710 120.506 121.223 -0.012 0.000 2.046 208 L HA -0.227 4.119 4.340 0.009 0.000 0.208 208 L C 2.597 179.442 176.870 -0.042 0.000 1.077 208 L CA 1.724 56.548 54.840 -0.026 0.000 0.747 208 L CB -0.665 41.372 42.059 -0.036 0.000 0.896 208 L HN 0.482 nan 8.230 nan 0.000 0.432 209 E N -0.708 119.433 120.200 -0.100 0.000 2.153 209 E HA -0.225 4.130 4.350 0.009 0.000 0.194 209 E C 1.749 178.248 176.600 -0.168 0.000 0.988 209 E CA 1.251 57.545 56.400 -0.177 0.000 0.811 209 E CB -0.050 29.469 29.700 -0.303 0.000 0.746 209 E HN 0.488 nan 8.360 nan 0.000 0.466 210 Y N -0.790 119.512 120.300 0.003 0.000 2.490 210 Y HA 0.160 4.715 4.550 0.008 0.000 0.281 210 Y C 1.610 177.515 175.900 0.008 0.000 1.174 210 Y CA 0.702 58.817 58.100 0.025 0.000 1.295 210 Y CB 1.064 39.540 38.460 0.027 0.000 1.062 210 Y HN 0.131 nan 8.280 nan 0.000 0.522 211 G N -1.185 107.678 108.800 0.105 0.000 2.227 211 G HA2 -0.056 3.910 3.960 0.009 0.000 0.168 211 G HA3 -0.056 3.910 3.960 0.009 0.000 0.168 211 G C 0.294 175.192 174.900 -0.004 0.000 1.006 211 G CA -0.414 44.707 45.100 0.035 0.000 0.684 211 G HN 0.480 nan 8.290 nan 0.000 0.489 212 A N 0.737 123.560 122.820 0.005 0.000 2.498 212 A HA 0.588 4.913 4.320 0.009 0.000 0.239 212 A C 1.605 179.148 177.584 -0.067 0.000 1.068 212 A CA 1.710 53.728 52.037 -0.031 0.000 0.766 212 A CB 0.305 19.299 19.000 -0.010 0.000 1.003 212 A HN 1.396 nan 8.150 nan 0.000 0.497 213 T N -1.191 113.286 114.554 -0.127 0.000 3.015 213 T HA 0.249 4.605 4.350 0.009 0.000 0.250 213 T C -0.162 174.433 174.700 -0.174 0.000 1.057 213 T CA 0.892 62.900 62.100 -0.154 0.000 1.066 213 T CB -0.150 68.597 68.868 -0.201 0.000 0.959 213 T HN 0.591 nan 8.240 nan 0.000 0.488 214 D N 0.893 121.171 120.400 -0.204 0.000 2.855 214 D HA 0.458 5.104 4.640 0.009 0.000 0.241 214 D C -1.163 175.132 176.300 -0.010 0.000 1.277 214 D CA -0.545 53.367 54.000 -0.147 0.000 0.918 214 D CB 1.529 42.120 40.800 -0.348 0.000 1.462 214 D HN 0.077 nan 8.370 nan 0.000 0.559 215 I N 2.891 123.472 120.570 0.018 0.000 2.331 215 I HA 0.340 4.516 4.170 0.009 0.000 0.292 215 I C -0.302 175.848 176.117 0.054 0.000 0.998 215 I CA -0.619 60.704 61.300 0.040 0.000 1.267 215 I CB 0.966 38.978 38.000 0.021 0.000 1.386 215 I HN 0.384 nan 8.210 nan 0.000 0.476 216 I N 6.424 127.021 120.570 0.044 0.000 2.354 216 I HA 0.329 4.504 4.170 0.009 0.000 0.286 216 I C -0.090 175.968 176.117 -0.098 0.000 1.007 216 I CA -0.499 60.791 61.300 -0.016 0.000 1.167 216 I CB 0.835 38.812 38.000 -0.039 0.000 1.320 216 I HN 0.539 nan 8.210 nan 0.000 0.458 217 N N 4.641 123.294 118.700 -0.078 0.000 2.361 217 N HA 0.323 5.069 4.740 0.009 0.000 0.302 217 N C 0.194 175.659 175.510 -0.075 0.000 1.074 217 N CA -0.631 52.392 53.050 -0.045 0.000 0.850 217 N CB 1.661 40.174 38.487 0.044 0.000 1.228 217 N HN 0.295 nan 8.380 nan 0.000 0.491 218 Y N 1.023 121.333 120.300 0.016 0.000 2.403 218 Y HA -0.140 4.415 4.550 0.008 0.000 0.291 218 Y C 1.568 177.474 175.900 0.010 0.000 1.143 218 Y CA 0.983 59.089 58.100 0.010 0.000 1.257 218 Y CB -0.126 38.340 38.460 0.010 0.000 0.984 218 Y HN 0.478 nan 8.280 nan 0.000 0.550 219 K N -0.077 120.412 120.400 0.147 0.000 2.280 219 K HA -0.118 4.207 4.320 0.009 0.000 0.202 219 K C 0.861 177.494 176.600 0.054 0.000 1.047 219 K CA 1.208 57.547 56.287 0.087 0.000 0.942 219 K CB -0.125 32.415 32.500 0.067 0.000 0.739 219 K HN 0.285 nan 8.250 nan 0.000 0.457 220 N N 0.525 119.246 118.700 0.035 0.000 2.314 220 N HA 0.080 4.826 4.740 0.009 0.000 0.200 220 N C 0.310 175.824 175.510 0.008 0.000 1.135 220 N CA 0.701 53.761 53.050 0.016 0.000 0.835 220 N CB 1.079 39.569 38.487 0.007 0.000 0.989 220 N HN 0.311 nan 8.380 nan 0.000 0.478 221 G N 0.816 109.628 108.800 0.020 0.000 2.462 221 G HA2 -0.196 3.769 3.960 0.009 0.000 0.685 221 G HA3 -0.196 3.769 3.960 0.009 0.000 0.685 221 G C -1.240 173.664 174.900 0.007 0.000 1.295 221 G CA -0.954 44.156 45.100 0.017 0.000 0.941 221 G HN 0.243 nan 8.290 nan 0.000 0.554 222 D N -0.457 119.950 120.400 0.012 0.000 2.586 222 D HA 0.209 4.854 4.640 0.009 0.000 0.234 222 D C 2.062 178.328 176.300 -0.057 0.000 1.132 222 D CA 0.865 54.868 54.000 0.006 0.000 0.860 222 D CB 0.347 41.149 40.800 0.005 0.000 1.159 222 D HN 0.960 nan 8.370 nan 0.000 0.490 223 I N 1.990 122.495 120.570 -0.108 0.000 2.394 223 I HA -0.134 4.041 4.170 0.009 0.000 0.251 223 I C 1.667 177.690 176.117 -0.156 0.000 1.136 223 I CA 0.500 61.677 61.300 -0.205 0.000 1.425 223 I CB -0.310 37.465 38.000 -0.374 0.000 1.079 223 I HN 0.324 nan 8.210 nan 0.000 0.425 224 V N 1.380 121.234 119.914 -0.101 0.000 2.307 224 V HA -0.180 3.945 4.120 0.009 0.000 0.245 224 V C 2.749 178.785 176.094 -0.097 0.000 1.045 224 V CA 2.004 64.246 62.300 -0.095 0.000 1.024 224 V CB -0.830 30.963 31.823 -0.050 0.000 0.651 224 V HN 0.459 nan 8.190 nan 0.000 0.449 225 E N -0.075 120.084 120.200 -0.068 0.000 2.110 225 E HA -0.247 4.109 4.350 0.009 0.000 0.193 225 E C 2.274 178.832 176.600 -0.071 0.000 0.988 225 E CA 1.233 57.599 56.400 -0.057 0.000 0.804 225 E CB -0.234 29.447 29.700 -0.033 0.000 0.745 225 E HN 0.687 nan 8.360 nan 0.000 0.458 226 Q N 0.153 119.901 119.800 -0.086 0.000 2.084 226 Q HA -0.109 4.236 4.340 0.009 0.000 0.202 226 Q C 2.381 178.302 176.000 -0.132 0.000 0.978 226 Q CA 1.040 56.792 55.803 -0.085 0.000 0.844 226 Q CB -0.113 28.572 28.738 -0.090 0.000 0.898 226 Q HN 0.309 nan 8.270 nan 0.000 0.426 227 I N 0.424 120.856 120.570 -0.231 0.000 2.353 227 I HA -0.258 3.918 4.170 0.009 0.000 0.248 227 I C 2.124 178.079 176.117 -0.271 0.000 1.119 227 I CA 0.794 61.837 61.300 -0.429 0.000 1.417 227 I CB -0.144 37.519 38.000 -0.563 0.000 1.078 227 I HN 0.177 nan 8.210 nan 0.000 0.421 228 L N 0.614 121.740 121.223 -0.163 0.000 2.012 228 L HA -0.255 4.090 4.340 0.009 0.000 0.210 228 L C 2.627 179.464 176.870 -0.056 0.000 1.073 228 L CA 1.552 56.336 54.840 -0.093 0.000 0.748 228 L CB -0.628 41.393 42.059 -0.064 0.000 0.891 228 L HN 0.214 nan 8.230 nan 0.000 0.431 229 K N 0.348 120.719 120.400 -0.047 0.000 2.057 229 K HA -0.188 4.137 4.320 0.009 0.000 0.207 229 K C 2.077 178.682 176.600 0.008 0.000 1.049 229 K CA 1.400 57.678 56.287 -0.016 0.000 0.931 229 K CB -0.099 32.394 32.500 -0.012 0.000 0.714 229 K HN 0.284 nan 8.250 nan 0.000 0.440 230 A N 0.314 123.143 122.820 0.015 0.000 2.067 230 A HA -0.085 4.240 4.320 0.009 0.000 0.219 230 A C 1.731 179.395 177.584 0.132 0.000 1.158 230 A CA 1.773 53.873 52.037 0.106 0.000 0.661 230 A CB -0.456 18.687 19.000 0.239 0.000 0.801 230 A HN 0.549 nan 8.150 nan 0.000 0.452 231 T N -4.055 110.538 114.554 0.065 0.000 3.176 231 T HA 0.268 4.623 4.350 0.009 0.000 0.263 231 T C -0.217 174.503 174.700 0.033 0.000 1.021 231 T CA 0.316 62.457 62.100 0.069 0.000 0.905 231 T CB -0.141 68.752 68.868 0.042 0.000 1.057 231 T HN 0.345 nan 8.240 nan 0.000 0.558 232 D N 1.528 121.943 120.400 0.025 0.000 2.708 232 D HA -0.185 4.460 4.640 0.009 0.000 0.236 232 D C 1.363 177.666 176.300 0.005 0.000 1.146 232 D CA 1.584 55.593 54.000 0.014 0.000 0.662 232 D CB -1.684 39.127 40.800 0.018 0.000 1.059 232 D HN 0.957 nan 8.370 nan 0.000 0.428 233 G N -0.503 108.294 108.800 -0.004 0.000 2.179 233 G HA2 -0.450 3.515 3.960 0.009 0.000 0.260 233 G HA3 -0.450 3.515 3.960 0.009 0.000 0.260 233 G C 1.137 176.031 174.900 -0.010 0.000 0.977 233 G CA 0.938 46.032 45.100 -0.010 0.000 0.641 233 G HN 0.510 nan 8.290 nan 0.000 0.533 234 K N 0.354 120.751 120.400 -0.004 0.000 2.228 234 K HA 0.404 4.730 4.320 0.009 0.000 0.202 234 K C 1.636 178.232 176.600 -0.006 0.000 1.051 234 K CA 0.752 57.039 56.287 0.000 0.000 0.960 234 K CB -0.062 32.445 32.500 0.012 0.000 0.743 234 K HN 1.569 nan 8.250 nan 0.000 0.458 235 G N 0.948 109.734 108.800 -0.022 0.000 2.796 235 G HA2 -0.221 3.744 3.960 0.009 0.000 0.571 235 G HA3 -0.221 3.744 3.960 0.009 0.000 0.571 235 G C -0.253 174.637 174.900 -0.017 0.000 1.370 235 G CA -0.465 44.612 45.100 -0.039 0.000 0.856 235 G HN 0.244 nan 8.290 nan 0.000 0.538 236 V N -2.371 117.528 119.914 -0.025 0.000 2.997 236 V HA 0.695 4.821 4.120 0.009 0.000 0.311 236 V C 1.092 177.209 176.094 0.038 0.000 1.066 236 V CA 0.596 62.913 62.300 0.029 0.000 1.039 236 V CB 1.747 33.586 31.823 0.027 0.000 1.081 236 V HN 0.733 nan 8.190 nan 0.000 0.467 237 D N 0.515 120.949 120.400 0.056 0.000 2.137 237 D HA 0.079 4.724 4.640 0.009 0.000 0.202 237 D C 0.262 176.598 176.300 0.059 0.000 0.970 237 D CA 1.311 55.342 54.000 0.051 0.000 0.837 237 D CB 0.270 41.099 40.800 0.049 0.000 0.981 237 D HN 0.521 nan 8.370 nan 0.000 0.475 238 K N 0.395 120.831 120.400 0.060 0.000 2.527 238 K HA 0.503 4.829 4.320 0.009 0.000 0.260 238 K C -0.979 175.653 176.600 0.052 0.000 0.937 238 K CA -0.708 55.617 56.287 0.064 0.000 0.826 238 K CB 3.233 35.767 32.500 0.056 0.000 1.359 238 K HN -0.245 nan 8.250 nan 0.000 0.434 239 V N 1.588 121.532 119.914 0.049 0.000 2.588 239 V HA 0.420 4.545 4.120 0.009 0.000 0.304 239 V C -0.538 175.562 176.094 0.011 0.000 1.042 239 V CA -1.001 61.312 62.300 0.022 0.000 0.877 239 V CB 2.250 34.076 31.823 0.004 0.000 0.996 239 V HN 0.463 nan 8.190 nan 0.000 0.425 240 V N 5.767 125.675 119.914 -0.009 0.000 2.398 240 V HA 0.505 4.630 4.120 0.009 0.000 0.286 240 V C -0.146 175.914 176.094 -0.056 0.000 1.026 240 V CA -0.424 61.860 62.300 -0.026 0.000 0.868 240 V CB 1.688 33.495 31.823 -0.028 0.000 0.982 240 V HN 0.664 nan 8.190 nan 0.000 0.443 241 I N 4.016 124.529 120.570 -0.094 0.000 2.312 241 I HA 0.531 4.706 4.170 0.009 0.000 0.290 241 I C 0.722 176.797 176.117 -0.071 0.000 1.008 241 I CA -0.157 61.057 61.300 -0.144 0.000 1.226 241 I CB 1.603 39.392 38.000 -0.352 0.000 1.371 241 I HN 0.718 nan 8.210 nan 0.000 0.468 242 A N 4.874 127.673 122.820 -0.034 0.000 2.609 242 A HA 0.754 5.079 4.320 0.009 0.000 0.286 242 A C 0.468 178.068 177.584 0.027 0.000 1.138 242 A CA 0.042 52.083 52.037 0.007 0.000 0.960 242 A CB 0.330 19.335 19.000 0.009 0.000 1.208 242 A HN 0.823 nan 8.150 nan 0.000 0.541 243 G N -2.829 105.980 108.800 0.015 0.000 2.430 243 G HA2 0.625 4.590 3.960 0.009 0.000 0.300 243 G HA3 0.625 4.590 3.960 0.009 0.000 0.300 243 G C 0.211 175.125 174.900 0.025 0.000 1.330 243 G CA 0.453 45.577 45.100 0.039 0.000 0.813 243 G HN 1.859 nan 8.290 nan 0.000 0.487 244 G N -0.194 108.632 108.800 0.043 0.000 2.475 244 G HA2 0.446 4.411 3.960 0.009 0.000 0.223 244 G HA3 0.446 4.411 3.960 0.009 0.000 0.223 244 G C -0.373 174.551 174.900 0.039 0.000 1.201 244 G CA 1.087 46.211 45.100 0.041 0.000 0.962 244 G HN 2.236 nan 8.290 nan 0.000 0.586 245 D N -2.544 117.879 120.400 0.038 0.000 2.895 245 D HA 0.548 5.193 4.640 0.009 0.000 0.320 245 D C 1.481 177.789 176.300 0.014 0.000 1.249 245 D CA 0.943 54.948 54.000 0.008 0.000 0.997 245 D CB 0.527 41.324 40.800 -0.005 0.000 1.430 245 D HN 1.537 nan 8.370 nan 0.000 0.558 246 V N -2.136 117.698 119.914 -0.133 0.000 2.867 246 V HA -0.092 4.033 4.120 0.009 0.000 0.260 246 V C 1.011 177.027 176.094 -0.130 0.000 1.099 246 V CA 1.308 63.519 62.300 -0.149 0.000 1.122 246 V CB -1.121 30.517 31.823 -0.309 0.000 0.708 246 V HN 0.519 nan 8.190 nan 0.000 0.490 247 H N 0.225 119.367 119.070 0.119 0.000 2.539 247 H HA 0.196 4.757 4.556 0.008 0.000 0.269 247 H C 2.153 177.549 175.328 0.113 0.000 0.980 247 H CA 0.992 57.100 56.048 0.099 0.000 1.152 247 H CB -0.097 29.697 29.762 0.053 0.000 1.407 247 H HN 0.483 nan 8.280 nan 0.000 0.564 248 T N 0.670 115.337 114.554 0.188 0.000 2.951 248 T HA -0.076 4.279 4.350 0.009 0.000 0.268 248 T C 1.672 176.376 174.700 0.007 0.000 1.073 248 T CA 0.625 62.761 62.100 0.060 0.000 1.134 248 T CB -0.283 68.556 68.868 -0.050 0.000 0.884 248 T HN 0.162 nan 8.240 nan 0.000 0.479 249 F N 1.956 121.915 119.950 0.014 0.000 2.171 249 F HA 0.007 4.539 4.527 0.009 0.000 0.300 249 F C 2.633 178.432 175.800 -0.001 0.000 1.090 249 F CA 0.708 58.704 58.000 -0.006 0.000 1.293 249 F CB -0.861 38.111 39.000 -0.047 0.000 1.013 249 F HN 0.137 nan 8.300 nan 0.000 0.486 250 A N -0.393 122.540 122.820 0.189 0.000 1.902 250 A HA -0.198 4.128 4.320 0.009 0.000 0.217 250 A C 2.243 179.874 177.584 0.078 0.000 1.181 250 A CA 1.388 53.491 52.037 0.110 0.000 0.623 250 A CB -0.564 18.496 19.000 0.099 0.000 0.818 250 A HN 0.310 nan 8.150 nan 0.000 0.443 251 Q N -0.504 119.336 119.800 0.067 0.000 2.084 251 Q HA -0.133 4.212 4.340 0.009 0.000 0.202 251 Q C 2.487 178.494 176.000 0.011 0.000 0.978 251 Q CA 1.604 57.427 55.803 0.033 0.000 0.844 251 Q CB -0.732 28.027 28.738 0.034 0.000 0.898 251 Q HN 0.657 nan 8.270 nan 0.000 0.426 252 A N 0.554 123.374 122.820 0.001 0.000 1.883 252 A HA -0.145 4.180 4.320 0.009 0.000 0.217 252 A C 2.464 180.071 177.584 0.039 0.000 1.186 252 A CA 1.687 53.720 52.037 -0.006 0.000 0.624 252 A CB -0.786 18.186 19.000 -0.047 0.000 0.822 252 A HN 0.211 nan 8.150 nan 0.000 0.444 253 V N 0.089 120.051 119.914 0.080 0.000 2.343 253 V HA -0.279 3.846 4.120 0.009 0.000 0.247 253 V C 2.393 178.538 176.094 0.085 0.000 1.051 253 V CA 2.409 64.783 62.300 0.124 0.000 1.036 253 V CB -0.656 31.267 31.823 0.167 0.000 0.654 253 V HN 0.564 nan 8.190 nan 0.000 0.451 254 K N 0.180 120.612 120.400 0.054 0.000 2.288 254 K HA -0.057 4.268 4.320 0.009 0.000 0.201 254 K C 1.959 178.560 176.600 0.001 0.000 1.048 254 K CA 1.562 57.867 56.287 0.030 0.000 0.956 254 K CB -0.141 32.372 32.500 0.021 0.000 0.746 254 K HN 0.650 nan 8.250 nan 0.000 0.461 255 M N -0.828 118.763 119.600 -0.014 0.000 2.441 255 M HA 0.245 4.730 4.480 0.009 0.000 0.244 255 M C 0.527 176.803 176.300 -0.039 0.000 1.122 255 M CA 0.458 55.727 55.300 -0.053 0.000 1.041 255 M CB 0.407 32.949 32.600 -0.097 0.000 1.438 255 M HN -0.105 nan 8.290 nan 0.000 0.484 256 I N 2.100 122.669 120.570 -0.001 0.000 2.498 256 I HA 0.337 4.512 4.170 0.009 0.000 0.301 256 I C -0.252 175.874 176.117 0.016 0.000 0.984 256 I CA -0.808 60.501 61.300 0.014 0.000 1.204 256 I CB 1.428 39.453 38.000 0.041 0.000 1.362 256 I HN 0.191 nan 8.210 nan 0.000 0.471 257 K N 7.189 127.598 120.400 0.015 0.000 2.336 257 K HA 0.204 4.530 4.320 0.009 0.000 0.262 257 K C -2.304 174.299 176.600 0.005 0.000 0.992 257 K CA -1.110 55.183 56.287 0.009 0.000 0.927 257 K CB -0.080 32.428 32.500 0.013 0.000 0.956 257 K HN 0.380 nan 8.250 nan 0.000 0.495 258 P HA -0.021 nan 4.420 nan 0.000 0.269 258 P C -0.152 177.139 177.300 -0.015 0.000 1.209 258 P CA 0.204 63.288 63.100 -0.027 0.000 0.776 258 P CB 0.477 32.160 31.700 -0.029 0.000 0.876 259 G N 1.100 109.888 108.800 -0.019 0.000 2.587 259 G HA2 0.084 4.049 3.960 0.009 0.000 0.274 259 G HA3 0.084 4.049 3.960 0.009 0.000 0.274 259 G C -0.125 174.809 174.900 0.056 0.000 1.046 259 G CA 0.112 45.214 45.100 0.004 0.000 1.308 259 G HN 0.940 nan 8.290 nan 0.000 0.529 260 S N -0.383 115.378 115.700 0.101 0.000 2.655 260 S HA 0.803 5.279 4.470 0.009 0.000 0.266 260 S C -1.625 173.122 174.600 0.245 0.000 1.149 260 S CA -0.670 57.616 58.200 0.143 0.000 0.818 260 S CB 2.401 65.652 63.200 0.084 0.000 1.130 260 S HN 0.429 nan 8.310 nan 0.000 0.476 261 D N 0.310 120.846 120.400 0.227 0.000 2.964 261 D HA 0.483 5.129 4.640 0.009 0.000 0.234 261 D C -1.235 175.203 176.300 0.231 0.000 1.223 261 D CA -0.235 53.951 54.000 0.310 0.000 0.889 261 D CB 2.072 43.080 40.800 0.346 0.000 1.609 261 D HN 0.533 nan 8.370 nan 0.000 0.523 262 I N 1.181 121.900 120.570 0.248 0.000 2.362 262 I HA 0.354 4.529 4.170 0.009 0.000 0.289 262 I C 0.630 176.891 176.117 0.240 0.000 0.994 262 I CA -0.567 60.838 61.300 0.174 0.000 1.158 262 I CB 1.957 40.036 38.000 0.132 0.000 1.315 262 I HN 0.304 nan 8.210 nan 0.000 0.451 263 G N 4.228 113.117 108.800 0.149 0.000 2.468 263 G HA2 0.296 4.261 3.960 0.009 0.000 0.320 263 G HA3 0.296 4.261 3.960 0.009 0.000 0.320 263 G C -0.774 174.156 174.900 0.051 0.000 1.137 263 G CA -0.428 44.744 45.100 0.120 0.000 0.984 263 G HN 0.588 nan 8.290 nan 0.000 0.462 264 N N 1.166 119.924 118.700 0.096 0.000 2.456 264 N HA 0.397 5.142 4.740 0.009 0.000 0.288 264 N C 0.791 176.357 175.510 0.093 0.000 1.059 264 N CA -0.523 52.566 53.050 0.064 0.000 0.946 264 N CB 1.900 40.506 38.487 0.199 0.000 1.150 264 N HN 0.336 nan 8.380 nan 0.000 0.479 265 V N -0.134 119.822 119.914 0.070 0.000 3.398 265 V HA 0.411 4.537 4.120 0.009 0.000 0.298 265 V C 0.348 176.503 176.094 0.101 0.000 1.496 265 V CA -0.622 61.735 62.300 0.095 0.000 1.044 265 V CB -0.768 31.110 31.823 0.092 0.000 0.880 265 V HN 0.556 nan 8.190 nan 0.000 0.443 266 N N 1.995 120.756 118.700 0.101 0.000 2.497 266 N HA 0.097 4.843 4.740 0.009 0.000 0.268 266 N C -0.646 174.983 175.510 0.198 0.000 1.171 266 N CA -0.220 52.909 53.050 0.132 0.000 0.948 266 N CB 0.305 38.845 38.487 0.089 0.000 1.069 266 N HN 0.481 nan 8.380 nan 0.000 0.460 267 Y N 5.168 125.500 120.300 0.054 0.000 2.480 267 Y HA 0.257 4.813 4.550 0.009 0.000 0.341 267 Y C -0.743 175.081 175.900 -0.128 0.000 1.031 267 Y CA -0.950 57.161 58.100 0.018 0.000 1.295 267 Y CB -0.143 38.371 38.460 0.091 0.000 1.162 267 Y HN 0.394 nan 8.280 nan 0.000 0.523 268 L N 6.878 128.219 121.223 0.197 0.000 2.260 268 L HA 0.318 4.663 4.340 0.009 0.000 0.289 268 L C 1.299 178.080 176.870 -0.148 0.000 1.057 268 L CA 0.005 54.824 54.840 -0.036 0.000 0.811 268 L CB 1.108 43.192 42.059 0.042 0.000 1.184 268 L HN 0.907 nan 8.230 nan 0.000 0.429 269 G N 2.853 111.369 108.800 -0.473 0.000 2.744 269 G HA2 0.076 4.041 3.960 0.009 0.000 0.211 269 G HA3 0.076 4.041 3.960 0.009 0.000 0.211 269 G C 0.269 175.091 174.900 -0.130 0.000 1.146 269 G CA 0.103 44.939 45.100 -0.439 0.000 0.787 269 G HN 0.693 nan 8.290 nan 0.000 0.534 270 E N -1.843 118.295 120.200 -0.103 0.000 2.412 270 E HA 0.531 4.886 4.350 0.009 0.000 0.279 270 E C -0.405 176.157 176.600 -0.062 0.000 0.984 270 E CA -0.765 55.606 56.400 -0.048 0.000 0.788 270 E CB 1.604 31.292 29.700 -0.020 0.000 1.277 270 E HN 0.832 nan 8.360 nan 0.000 0.455 271 G N 1.617 110.390 108.800 -0.044 0.000 2.911 271 G HA2 -0.122 3.843 3.960 0.009 0.000 0.686 271 G HA3 -0.122 3.843 3.960 0.009 0.000 0.686 271 G C -0.415 174.452 174.900 -0.054 0.000 1.136 271 G CA -0.164 44.902 45.100 -0.056 0.000 0.764 271 G HN 0.539 nan 8.290 nan 0.000 0.626 272 D N 0.588 120.963 120.400 -0.041 0.000 2.149 272 D HA 0.003 4.648 4.640 0.009 0.000 0.201 272 D C 1.065 177.325 176.300 -0.066 0.000 0.972 272 D CA 1.347 55.321 54.000 -0.043 0.000 0.835 272 D CB 0.157 40.939 40.800 -0.031 0.000 0.966 272 D HN 0.421 nan 8.370 nan 0.000 0.476 273 N N -0.189 118.464 118.700 -0.078 0.000 2.229 273 N HA 0.338 5.083 4.740 0.009 0.000 0.298 273 N C -0.766 174.658 175.510 -0.143 0.000 1.114 273 N CA -0.512 52.476 53.050 -0.104 0.000 0.776 273 N CB 2.478 40.919 38.487 -0.078 0.000 1.501 273 N HN -0.119 nan 8.380 nan 0.000 0.474 274 I N 1.131 121.576 120.570 -0.207 0.000 2.325 274 I HA 0.148 4.323 4.170 0.009 0.000 0.291 274 I C -0.157 175.834 176.117 -0.211 0.000 1.019 274 I CA -0.317 60.819 61.300 -0.273 0.000 1.302 274 I CB 0.646 38.319 38.000 -0.545 0.000 1.401 274 I HN 0.128 nan 8.210 nan 0.000 0.485 275 D N 7.325 127.670 120.400 -0.093 0.000 2.232 275 D HA 0.393 5.038 4.640 0.009 0.000 0.242 275 D C -0.303 175.948 176.300 -0.083 0.000 1.093 275 D CA -0.189 53.770 54.000 -0.068 0.000 0.845 275 D CB 2.119 42.929 40.800 0.016 0.000 1.124 275 D HN 0.150 nan 8.370 nan 0.000 0.467 276 I N 4.318 124.784 120.570 -0.172 0.000 2.339 276 I HA 0.220 4.395 4.170 0.009 0.000 0.290 276 I C -2.043 173.994 176.117 -0.134 0.000 0.994 276 I CA -2.454 58.707 61.300 -0.231 0.000 1.191 276 I CB 1.034 38.703 38.000 -0.553 0.000 1.343 276 I HN 0.004 nan 8.210 nan 0.000 0.458 277 P HA 0.248 nan 4.420 nan 0.000 0.276 277 P C 0.667 178.013 177.300 0.076 0.000 1.243 277 P CA -0.326 62.786 63.100 0.020 0.000 0.768 277 P CB 1.328 33.054 31.700 0.043 0.000 0.856 278 R N 2.534 123.074 120.500 0.067 0.000 2.070 278 R HA -0.112 4.233 4.340 0.009 0.000 0.233 278 R C 1.870 178.249 176.300 0.132 0.000 1.137 278 R CA 2.066 58.235 56.100 0.114 0.000 0.945 278 R CB -0.444 29.897 30.300 0.069 0.000 0.845 278 R HN 0.388 nan 8.270 nan 0.000 0.430 279 S N 0.652 116.402 115.700 0.083 0.000 2.356 279 S HA -0.119 4.356 4.470 0.009 0.000 0.223 279 S C 1.589 176.236 174.600 0.077 0.000 1.032 279 S CA 1.631 59.869 58.200 0.064 0.000 1.005 279 S CB -0.142 63.082 63.200 0.039 0.000 0.867 279 S HN 0.413 nan 8.310 nan 0.000 0.449 280 E N -0.392 119.866 120.200 0.096 0.000 2.347 280 E HA -0.038 4.318 4.350 0.009 0.000 0.196 280 E C 0.868 177.569 176.600 0.169 0.000 1.008 280 E CA 0.250 56.711 56.400 0.101 0.000 0.852 280 E CB -0.072 29.680 29.700 0.086 0.000 0.783 280 E HN 0.601 nan 8.360 nan 0.000 0.505 281 W N 0.804 122.093 121.300 -0.019 0.000 3.438 281 W HA 0.261 4.926 4.660 0.009 0.000 0.322 281 W C 0.836 177.328 176.519 -0.045 0.000 1.261 281 W CA 0.719 58.045 57.345 -0.032 0.000 1.788 281 W CB -0.065 29.375 29.460 -0.033 0.000 1.065 281 W HN 0.116 nan 8.180 nan 0.000 0.715 282 G N 1.017 109.813 108.800 -0.006 0.000 2.198 282 G HA2 -0.225 3.740 3.960 0.009 0.000 0.257 282 G HA3 -0.225 3.740 3.960 0.009 0.000 0.257 282 G C 0.561 175.412 174.900 -0.081 0.000 1.042 282 G CA 0.459 45.500 45.100 -0.100 0.000 0.791 282 G HN 1.397 nan 8.290 nan 0.000 0.502 283 V N -4.963 114.962 119.914 0.019 0.000 4.766 283 V HA 0.040 4.166 4.120 0.009 0.000 0.260 283 V C 2.037 178.145 176.094 0.022 0.000 0.542 283 V CA 2.168 64.492 62.300 0.041 0.000 0.766 283 V CB -1.696 30.137 31.823 0.016 0.000 0.697 283 V HN 2.614 nan 8.190 nan 0.000 1.171 284 G N -0.616 108.201 108.800 0.028 0.000 2.194 284 G HA2 -0.250 3.716 3.960 0.009 0.000 0.236 284 G HA3 -0.250 3.716 3.960 0.009 0.000 0.236 284 G C 0.186 174.810 174.900 -0.459 0.000 0.987 284 G CA 0.369 45.435 45.100 -0.057 0.000 0.635 284 G HN 1.216 nan 8.290 nan 0.000 0.520 285 M N 0.609 119.930 119.600 -0.465 0.000 2.511 285 M HA 0.321 4.807 4.480 0.009 0.000 0.387 285 M C 1.756 177.764 176.300 -0.487 0.000 1.112 285 M CA 0.660 55.687 55.300 -0.455 0.000 0.921 285 M CB 1.343 33.797 32.600 -0.244 0.000 1.501 285 M HN 0.212 nan 8.290 nan 0.000 0.538 286 G N -1.359 107.085 108.800 -0.594 0.000 2.985 286 G HA2 -0.011 3.955 3.960 0.009 0.000 0.209 286 G HA3 -0.011 3.955 3.960 0.009 0.000 0.209 286 G C 0.058 174.762 174.900 -0.327 0.000 1.165 286 G CA -0.081 44.789 45.100 -0.384 0.000 0.776 286 G HN 0.691 nan 8.290 nan 0.000 0.541 287 H N -0.709 118.041 119.070 -0.533 0.000 2.713 287 H HA -0.146 4.415 4.556 0.009 0.000 0.311 287 H C 0.276 175.219 175.328 -0.642 0.000 1.175 287 H CA 0.935 56.627 56.048 -0.593 0.000 1.143 287 H CB -1.380 28.182 29.762 -0.334 0.000 1.434 287 H HN 0.363 nan 8.280 nan 0.000 0.418 288 K N 2.116 122.218 120.400 -0.495 0.000 2.231 288 K HA 0.127 4.452 4.320 0.009 0.000 0.255 288 K C -0.200 176.401 176.600 0.001 0.000 1.108 288 K CA -0.464 55.722 56.287 -0.168 0.000 0.997 288 K CB 0.460 32.971 32.500 0.018 0.000 1.549 288 K HN 0.367 nan 8.250 nan 0.000 0.419 289 H N 2.524 121.660 119.070 0.110 0.000 2.764 289 H HA 0.173 4.734 4.556 0.009 0.000 0.341 289 H C 0.201 175.448 175.328 -0.135 0.000 1.072 289 H CA 0.194 56.247 56.048 0.008 0.000 1.444 289 H CB 0.883 30.649 29.762 0.007 0.000 1.458 289 H HN 0.353 nan 8.280 nan 0.000 0.572 290 I N 4.616 125.117 120.570 -0.115 0.000 2.389 290 I HA 0.169 4.345 4.170 0.009 0.000 0.288 290 I C -0.061 175.890 176.117 -0.277 0.000 0.999 290 I CA -0.440 60.803 61.300 -0.096 0.000 1.129 290 I CB 1.129 39.158 38.000 0.048 0.000 1.288 290 I HN 0.472 nan 8.210 nan 0.000 0.444 291 H N 4.197 123.373 119.070 0.176 0.000 2.690 291 H HA 0.718 5.279 4.556 0.009 0.000 0.368 291 H C -0.325 175.088 175.328 0.141 0.000 1.150 291 H CA -1.044 55.080 56.048 0.127 0.000 1.174 291 H CB 2.547 32.360 29.762 0.086 0.000 1.684 291 H HN 0.761 nan 8.280 nan 0.000 0.538 292 G N 0.274 109.215 108.800 0.234 0.000 2.608 292 G HA2 0.504 4.469 3.960 0.009 0.000 0.285 292 G HA3 0.504 4.469 3.960 0.009 0.000 0.285 292 G C -0.927 174.076 174.900 0.171 0.000 1.407 292 G CA -0.482 44.737 45.100 0.199 0.000 1.276 292 G HN 0.794 nan 8.290 nan 0.000 0.587 293 G N 0.759 109.670 108.800 0.186 0.000 2.682 293 G HA2 0.627 4.592 3.960 0.009 0.000 0.300 293 G HA3 0.627 4.592 3.960 0.009 0.000 0.300 293 G C -1.030 174.018 174.900 0.246 0.000 1.391 293 G CA -0.820 44.433 45.100 0.255 0.000 0.990 293 G HN 0.887 nan 8.290 nan 0.000 0.501 294 L N 2.364 123.685 121.223 0.163 0.000 2.456 294 L HA 0.429 4.774 4.340 0.009 0.000 0.272 294 L C 1.341 178.161 176.870 -0.082 0.000 1.189 294 L CA -0.814 54.029 54.840 0.004 0.000 0.846 294 L CB 0.238 42.262 42.059 -0.059 0.000 1.111 294 L HN 0.791 nan 8.230 nan 0.000 0.475 295 C N 4.123 123.342 119.300 -0.136 0.000 2.679 295 C HA 0.398 4.863 4.460 0.009 0.000 0.417 295 C C -2.003 172.818 174.990 -0.280 0.000 1.302 295 C CA -1.493 57.390 59.018 -0.224 0.000 1.973 295 C CB -0.562 27.114 27.740 -0.107 0.000 2.715 295 C HN 0.742 nan 8.230 nan 0.000 0.628 296 P HA 0.455 nan 4.420 nan 0.000 0.269 296 P C 0.489 177.861 177.300 0.119 0.000 1.215 296 P CA 0.822 63.893 63.100 -0.049 0.000 0.780 296 P CB 0.520 32.198 31.700 -0.037 0.000 0.898 297 G N -0.252 108.747 108.800 0.333 0.000 3.183 297 G HA2 0.682 4.647 3.960 0.009 0.000 0.247 297 G HA3 0.682 4.647 3.960 0.009 0.000 0.247 297 G C -0.252 174.684 174.900 0.059 0.000 1.211 297 G CA -0.445 44.735 45.100 0.133 0.000 0.835 297 G HN 0.794 nan 8.290 nan 0.000 0.604 298 G N -1.119 107.739 108.800 0.096 0.000 2.829 298 G HA2 -0.130 3.835 3.960 0.009 0.000 0.628 298 G HA3 -0.130 3.835 3.960 0.009 0.000 0.628 298 G C 0.843 175.788 174.900 0.076 0.000 1.412 298 G CA 0.731 45.943 45.100 0.186 0.000 0.864 298 G HN 0.923 nan 8.290 nan 0.000 0.544 299 R N -0.298 120.215 120.500 0.022 0.000 2.083 299 R HA -0.072 4.273 4.340 0.009 0.000 0.237 299 R C 2.736 179.033 176.300 -0.005 0.000 1.137 299 R CA 2.328 58.429 56.100 0.001 0.000 0.951 299 R CB -0.351 29.939 30.300 -0.016 0.000 0.851 299 R HN 0.672 nan 8.270 nan 0.000 0.434 300 L N 1.015 122.211 121.223 -0.046 0.000 2.056 300 L HA -0.103 4.242 4.340 0.009 0.000 0.207 300 L C 2.493 179.365 176.870 0.004 0.000 1.078 300 L CA 1.828 56.650 54.840 -0.031 0.000 0.749 300 L CB -0.604 41.418 42.059 -0.062 0.000 0.901 300 L HN 0.109 nan 8.230 nan 0.000 0.433 301 R N -0.788 119.726 120.500 0.023 0.000 2.083 301 R HA -0.170 4.176 4.340 0.009 0.000 0.237 301 R C 2.083 178.390 176.300 0.013 0.000 1.137 301 R CA 1.981 58.100 56.100 0.032 0.000 0.951 301 R CB -0.425 29.912 30.300 0.061 0.000 0.851 301 R HN 0.287 nan 8.270 nan 0.000 0.434 302 M N 0.509 120.122 119.600 0.021 0.000 2.108 302 M HA -0.139 4.346 4.480 0.009 0.000 0.261 302 M C 1.973 178.282 176.300 0.014 0.000 1.066 302 M CA 1.784 57.095 55.300 0.019 0.000 1.107 302 M CB -0.997 31.624 32.600 0.035 0.000 1.356 302 M HN 0.270 nan 8.290 nan 0.000 0.406 303 E N -0.498 119.714 120.200 0.020 0.000 2.077 303 E HA -0.174 4.181 4.350 0.009 0.000 0.193 303 E C 2.234 178.841 176.600 0.013 0.000 0.989 303 E CA 0.761 57.173 56.400 0.020 0.000 0.800 303 E CB -0.039 29.674 29.700 0.022 0.000 0.746 303 E HN 0.355 nan 8.360 nan 0.000 0.452 304 R N 0.530 121.034 120.500 0.005 0.000 2.073 304 R HA -0.114 4.231 4.340 0.009 0.000 0.234 304 R C 2.457 178.741 176.300 -0.026 0.000 1.134 304 R CA 0.995 57.096 56.100 0.001 0.000 0.952 304 R CB -0.754 29.544 30.300 -0.002 0.000 0.850 304 R HN 0.272 nan 8.270 nan 0.000 0.433 305 L N 0.205 121.391 121.223 -0.061 0.000 2.109 305 L HA -0.085 4.260 4.340 0.009 0.000 0.207 305 L C 2.497 179.331 176.870 -0.060 0.000 1.086 305 L CA 0.843 55.608 54.840 -0.125 0.000 0.760 305 L CB -0.436 41.528 42.059 -0.157 0.000 0.910 305 L HN 0.078 nan 8.230 nan 0.000 0.437 306 I N 0.160 120.724 120.570 -0.011 0.000 2.194 306 I HA -0.335 3.840 4.170 0.009 0.000 0.246 306 I C 2.078 178.233 176.117 0.065 0.000 1.093 306 I CA 1.366 62.681 61.300 0.025 0.000 1.355 306 I CB -0.354 37.659 38.000 0.022 0.000 1.046 306 I HN 0.268 nan 8.210 nan 0.000 0.413 307 D N 0.682 121.128 120.400 0.077 0.000 2.117 307 D HA -0.135 4.510 4.640 0.009 0.000 0.197 307 D C 2.319 178.781 176.300 0.270 0.000 0.987 307 D CA 1.163 55.289 54.000 0.210 0.000 0.829 307 D CB -0.265 40.675 40.800 0.234 0.000 0.961 307 D HN 0.269 nan 8.370 nan 0.000 0.460 308 L N 0.038 121.329 121.223 0.113 0.000 2.079 308 L HA -0.155 4.190 4.340 0.009 0.000 0.210 308 L C 2.405 179.312 176.870 0.061 0.000 1.081 308 L CA 0.639 55.511 54.840 0.053 0.000 0.752 308 L CB -0.332 41.652 42.059 -0.125 0.000 0.896 308 L HN -0.009 nan 8.230 nan 0.000 0.433 309 V N -0.835 119.106 119.914 0.045 0.000 2.323 309 V HA -0.277 3.849 4.120 0.009 0.000 0.244 309 V C 2.196 178.328 176.094 0.064 0.000 1.041 309 V CA 1.649 63.979 62.300 0.050 0.000 1.025 309 V CB -0.591 31.255 31.823 0.038 0.000 0.656 309 V HN 0.291 nan 8.190 nan 0.000 0.451 310 F N 0.335 120.229 119.950 -0.093 0.000 2.095 310 F HA -0.213 4.320 4.527 0.009 0.000 0.298 310 F C 1.946 177.570 175.800 -0.293 0.000 1.104 310 F CA 1.700 59.563 58.000 -0.229 0.000 1.232 310 F CB -0.220 38.557 39.000 -0.371 0.000 0.987 310 F HN 0.198 nan 8.300 nan 0.000 0.475 311 Y N 0.972 121.375 120.300 0.171 0.000 2.462 311 Y HA 0.170 4.725 4.550 0.009 0.000 0.293 311 Y C 0.720 176.636 175.900 0.027 0.000 1.195 311 Y CA -0.165 57.982 58.100 0.080 0.000 1.276 311 Y CB -0.864 37.684 38.460 0.147 0.000 1.082 311 Y HN 0.043 nan 8.280 nan 0.000 0.514 312 K N -0.751 119.702 120.400 0.087 0.000 3.129 312 K HA -0.251 4.074 4.320 0.009 0.000 0.273 312 K C 0.888 177.563 176.600 0.126 0.000 1.123 312 K CA 0.233 56.561 56.287 0.070 0.000 0.800 312 K CB -0.752 31.767 32.500 0.031 0.000 1.238 312 K HN 0.247 nan 8.250 nan 0.000 0.492 313 R N -0.024 120.560 120.500 0.140 0.000 2.075 313 R HA 0.065 4.410 4.340 0.009 0.000 0.226 313 R C 0.991 177.366 176.300 0.125 0.000 1.114 313 R CA 0.958 57.158 56.100 0.166 0.000 0.972 313 R CB 0.217 30.571 30.300 0.090 0.000 0.869 313 R HN 0.126 nan 8.270 nan 0.000 0.437 314 V N 1.591 121.536 119.914 0.052 0.000 2.760 314 V HA 0.190 4.316 4.120 0.009 0.000 0.309 314 V C -1.200 174.973 176.094 0.130 0.000 1.077 314 V CA -1.285 61.078 62.300 0.104 0.000 0.910 314 V CB 2.534 34.367 31.823 0.016 0.000 1.008 314 V HN 0.003 nan 8.190 nan 0.000 0.424 315 D N 5.870 126.403 120.400 0.223 0.000 2.461 315 D HA 0.429 5.074 4.640 0.009 0.000 0.240 315 D C -1.634 174.825 176.300 0.266 0.000 1.094 315 D CA -2.038 52.071 54.000 0.180 0.000 0.868 315 D CB 2.233 43.111 40.800 0.131 0.000 1.062 315 D HN 0.285 nan 8.370 nan 0.000 0.530 316 P HA -0.035 nan 4.420 nan 0.000 0.245 316 P C 1.030 178.437 177.300 0.177 0.000 1.212 316 P CA 0.218 63.431 63.100 0.189 0.000 0.774 316 P CB 0.147 31.902 31.700 0.091 0.000 0.999 317 S N 0.396 116.180 115.700 0.140 0.000 2.419 317 S HA -0.120 4.355 4.470 0.009 0.000 0.233 317 S C 1.773 176.436 174.600 0.105 0.000 1.016 317 S CA 0.725 58.983 58.200 0.097 0.000 0.974 317 S CB -0.745 62.492 63.200 0.062 0.000 0.786 317 S HN 0.008 nan 8.310 nan 0.000 0.492 318 K N 1.531 122.013 120.400 0.137 0.000 2.362 318 K HA 0.180 4.505 4.320 0.009 0.000 0.200 318 K C 1.853 178.549 176.600 0.160 0.000 1.046 318 K CA 0.524 56.874 56.287 0.105 0.000 0.952 318 K CB -0.722 31.768 32.500 -0.015 0.000 0.753 318 K HN 0.492 nan 8.250 nan 0.000 0.466 319 L N 0.710 122.052 121.223 0.200 0.000 2.291 319 L HA -0.046 4.299 4.340 0.009 0.000 0.214 319 L C 0.642 177.593 176.870 0.135 0.000 1.120 319 L CA 0.303 55.245 54.840 0.170 0.000 0.799 319 L CB -0.151 41.995 42.059 0.144 0.000 0.925 319 L HN -0.212 nan 8.230 nan 0.000 0.446 320 V N 0.708 120.687 119.914 0.108 0.000 2.372 320 V HA 0.038 4.163 4.120 0.009 0.000 0.261 320 V C 1.266 177.395 176.094 0.057 0.000 1.055 320 V CA 0.432 62.777 62.300 0.075 0.000 0.930 320 V CB 0.835 32.685 31.823 0.045 0.000 1.031 320 V HN 0.368 nan 8.190 nan 0.000 0.479 321 T N 0.465 115.071 114.554 0.087 0.000 3.014 321 T HA 0.213 4.568 4.350 0.009 0.000 0.250 321 T C 0.366 174.917 174.700 -0.249 0.000 1.060 321 T CA 0.257 62.361 62.100 0.006 0.000 1.040 321 T CB 0.030 68.983 68.868 0.140 0.000 0.971 321 T HN 0.622 nan 8.240 nan 0.000 0.497 322 H N -0.118 118.857 119.070 -0.158 0.000 2.856 322 H HA 0.705 5.264 4.556 0.004 0.000 0.355 322 H C -1.420 173.604 175.328 -0.507 0.000 1.079 322 H CA -0.714 55.114 56.048 -0.367 0.000 1.240 322 H CB 2.162 31.718 29.762 -0.345 0.000 1.701 322 H HN 0.048 nan 8.280 nan 0.000 0.527 323 V N 4.002 123.578 119.914 -0.564 0.000 2.588 323 V HA 0.518 4.643 4.120 0.009 0.000 0.304 323 V C -0.935 174.776 176.094 -0.638 0.000 1.042 323 V CA -0.736 61.292 62.300 -0.453 0.000 0.877 323 V CB 1.046 32.756 31.823 -0.188 0.000 0.996 323 V HN 0.509 nan 8.190 nan 0.000 0.425 324 F N 2.088 122.061 119.950 0.037 0.000 2.654 324 F HA 0.753 5.279 4.527 -0.002 0.000 0.334 324 F C 0.302 176.113 175.800 0.018 0.000 1.078 324 F CA -1.153 56.860 58.000 0.022 0.000 0.986 324 F CB 1.757 40.762 39.000 0.008 0.000 1.362 324 F HN 0.215 nan 8.300 nan 0.000 0.498 325 R N 0.118 120.760 120.500 0.237 0.000 2.670 325 R HA 0.703 5.049 4.340 0.009 0.000 0.289 325 R C -0.720 175.646 176.300 0.110 0.000 0.965 325 R CA -0.916 55.265 56.100 0.134 0.000 0.899 325 R CB 1.906 32.263 30.300 0.095 0.000 1.173 325 R HN 0.968 nan 8.270 nan 0.000 0.456 326 G N 1.499 110.362 108.800 0.105 0.000 2.788 326 G HA2 -0.237 3.728 3.960 0.009 0.000 0.686 326 G HA3 -0.237 3.728 3.960 0.009 0.000 0.686 326 G C -0.132 174.857 174.900 0.147 0.000 1.147 326 G CA -0.710 44.455 45.100 0.108 0.000 0.755 326 G HN 0.521 nan 8.290 nan 0.000 0.634 327 F N 1.425 121.364 119.950 -0.019 0.000 2.087 327 F HA -0.143 4.389 4.527 0.008 0.000 0.299 327 F C 2.422 178.225 175.800 0.006 0.000 1.100 327 F CA 2.871 60.871 58.000 0.001 0.000 1.226 327 F CB -0.167 38.797 39.000 -0.059 0.000 0.983 327 F HN 0.600 nan 8.300 nan 0.000 0.479 328 D N -0.520 119.881 120.400 0.001 0.000 2.149 328 D HA -0.204 4.441 4.640 0.009 0.000 0.198 328 D C 1.692 177.961 176.300 -0.052 0.000 0.990 328 D CA 1.352 55.287 54.000 -0.109 0.000 0.839 328 D CB -0.627 40.104 40.800 -0.115 0.000 0.948 328 D HN 0.277 nan 8.370 nan 0.000 0.460 329 N N 0.153 118.806 118.700 -0.078 0.000 2.521 329 N HA 0.034 4.780 4.740 0.009 0.000 0.188 329 N C 1.593 176.976 175.510 -0.213 0.000 1.146 329 N CA 0.016 52.974 53.050 -0.154 0.000 0.893 329 N CB 0.123 38.535 38.487 -0.125 0.000 0.975 329 N HN 0.316 nan 8.380 nan 0.000 0.451 330 I N 1.014 121.419 120.570 -0.276 0.000 2.208 330 I HA -0.274 3.901 4.170 0.009 0.000 0.245 330 I C 2.453 178.133 176.117 -0.728 0.000 1.097 330 I CA 1.213 62.165 61.300 -0.580 0.000 1.363 330 I CB -0.083 37.414 38.000 -0.839 0.000 1.051 330 I HN 0.213 nan 8.210 nan 0.000 0.413 331 E N 1.434 121.200 120.200 -0.723 0.000 2.051 331 E HA -0.299 4.057 4.350 0.009 0.000 0.192 331 E C 2.279 178.679 176.600 -0.334 0.000 0.991 331 E CA 1.383 57.279 56.400 -0.841 0.000 0.799 331 E CB -0.029 29.389 29.700 -0.470 0.000 0.748 331 E HN 0.288 nan 8.360 nan 0.000 0.449 332 K N 0.163 120.407 120.400 -0.261 0.000 2.044 332 K HA -0.221 4.104 4.320 0.009 0.000 0.210 332 K C 2.047 178.533 176.600 -0.190 0.000 1.049 332 K CA 1.501 57.641 56.287 -0.245 0.000 0.927 332 K CB -0.260 31.994 32.500 -0.410 0.000 0.713 332 K HN 0.179 nan 8.250 nan 0.000 0.443 333 A N 0.615 123.339 122.820 -0.160 0.000 1.898 333 A HA -0.150 4.175 4.320 0.009 0.000 0.216 333 A C 2.009 179.593 177.584 0.000 0.000 1.181 333 A CA 1.314 53.353 52.037 0.003 0.000 0.620 333 A CB -0.783 18.260 19.000 0.071 0.000 0.819 333 A HN 0.537 nan 8.150 nan 0.000 0.442 334 F N 0.179 120.017 119.950 -0.187 0.000 2.134 334 F HA -0.197 4.334 4.527 0.007 0.000 0.299 334 F C 2.177 177.972 175.800 -0.008 0.000 1.097 334 F CA 1.958 59.919 58.000 -0.064 0.000 1.264 334 F CB -0.116 38.844 39.000 -0.067 0.000 1.001 334 F HN 0.092 nan 8.300 nan 0.000 0.479 335 M N -0.445 119.215 119.600 0.100 0.000 2.296 335 M HA -0.138 4.347 4.480 0.009 0.000 0.265 335 M C 2.136 178.373 176.300 -0.105 0.000 1.064 335 M CA 0.978 56.284 55.300 0.010 0.000 1.109 335 M CB -1.372 31.262 32.600 0.056 0.000 1.396 335 M HN 0.265 nan 8.290 nan 0.000 0.430 336 L N 0.221 121.381 121.223 -0.105 0.000 2.083 336 L HA -0.147 4.198 4.340 0.009 0.000 0.209 336 L C 2.245 179.020 176.870 -0.157 0.000 1.083 336 L CA 1.573 56.337 54.840 -0.126 0.000 0.752 336 L CB -0.643 41.347 42.059 -0.115 0.000 0.899 336 L HN 0.201 nan 8.230 nan 0.000 0.433 337 M N -1.080 118.404 119.600 -0.193 0.000 2.296 337 M HA -0.180 4.306 4.480 0.009 0.000 0.265 337 M C 2.117 178.267 176.300 -0.250 0.000 1.064 337 M CA 1.253 56.424 55.300 -0.215 0.000 1.109 337 M CB -1.085 31.358 32.600 -0.262 0.000 1.396 337 M HN 0.211 nan 8.290 nan 0.000 0.430 338 K N 0.936 121.156 120.400 -0.300 0.000 2.007 338 K HA -0.107 4.218 4.320 0.009 0.000 0.206 338 K C -0.566 175.902 176.600 -0.221 0.000 1.047 338 K CA 1.357 57.462 56.287 -0.302 0.000 0.937 338 K CB 0.021 32.305 32.500 -0.360 0.000 0.718 338 K HN 0.407 nan 8.250 nan 0.000 0.438 339 D N 1.704 122.000 120.400 -0.173 0.000 2.479 339 D HA 0.142 4.787 4.640 0.009 0.000 0.247 339 D C -1.120 175.119 176.300 -0.102 0.000 1.119 339 D CA -0.407 53.518 54.000 -0.125 0.000 0.922 339 D CB 1.030 41.767 40.800 -0.104 0.000 1.014 339 D HN -0.113 nan 8.370 nan 0.000 0.510 340 K N 3.320 123.665 120.400 -0.093 0.000 2.338 340 K HA 0.196 4.521 4.320 0.009 0.000 0.290 340 K C -1.978 174.598 176.600 -0.040 0.000 1.069 340 K CA -1.323 54.921 56.287 -0.073 0.000 0.941 340 K CB 0.461 32.925 32.500 -0.059 0.000 1.023 340 K HN 0.387 nan 8.250 nan 0.000 0.477 341 P HA 0.101 nan 4.420 nan 0.000 0.274 341 P C 0.005 177.326 177.300 0.036 0.000 1.246 341 P CA -0.387 62.717 63.100 0.007 0.000 0.795 341 P CB 0.871 32.585 31.700 0.024 0.000 1.006 342 K N 0.078 120.505 120.400 0.044 0.000 2.365 342 K HA -0.090 4.235 4.320 0.009 0.000 0.199 342 K C 1.251 177.903 176.600 0.087 0.000 1.045 342 K CA 1.200 57.520 56.287 0.055 0.000 0.962 342 K CB -0.055 32.471 32.500 0.044 0.000 0.759 342 K HN 0.540 nan 8.250 nan 0.000 0.469 343 D N 0.076 120.531 120.400 0.092 0.000 2.350 343 D HA -0.073 4.572 4.640 0.009 0.000 0.213 343 D C 0.363 176.781 176.300 0.197 0.000 1.031 343 D CA -0.172 53.879 54.000 0.085 0.000 0.861 343 D CB -0.083 40.717 40.800 -0.000 0.000 0.926 343 D HN 0.012 nan 8.370 nan 0.000 0.520 344 L N 0.867 122.218 121.223 0.212 0.000 2.367 344 L HA 0.255 4.600 4.340 0.009 0.000 0.275 344 L C 0.610 177.583 176.870 0.172 0.000 1.129 344 L CA -0.051 54.910 54.840 0.203 0.000 0.839 344 L CB 0.654 42.718 42.059 0.008 0.000 1.133 344 L HN -0.104 nan 8.230 nan 0.000 0.453 345 I N 2.080 122.767 120.570 0.195 0.000 3.744 345 I HA 0.287 4.462 4.170 0.009 0.000 0.240 345 I C -0.110 176.069 176.117 0.104 0.000 1.096 345 I CA -0.278 61.108 61.300 0.144 0.000 1.558 345 I CB 0.182 38.280 38.000 0.164 0.000 1.531 345 I HN 0.461 nan 8.210 nan 0.000 0.459 346 K N 1.863 122.334 120.400 0.119 0.000 2.482 346 K HA 0.447 4.772 4.320 0.009 0.000 0.251 346 K C -2.859 173.796 176.600 0.092 0.000 0.936 346 K CA -2.201 54.138 56.287 0.086 0.000 0.791 346 K CB 2.164 34.713 32.500 0.083 0.000 1.213 346 K HN -0.202 nan 8.250 nan 0.000 0.428 347 P HA 0.350 nan 4.420 nan 0.000 0.284 347 P C -1.075 176.259 177.300 0.057 0.000 1.258 347 P CA -0.673 62.462 63.100 0.058 0.000 0.824 347 P CB 1.434 33.184 31.700 0.083 0.000 1.038 348 V N 2.431 122.358 119.914 0.021 0.000 2.656 348 V HA 0.322 4.447 4.120 0.009 0.000 0.307 348 V C -0.169 175.958 176.094 0.056 0.000 1.051 348 V CA -0.775 61.551 62.300 0.042 0.000 0.893 348 V CB 2.411 34.251 31.823 0.029 0.000 0.999 348 V HN 0.231 nan 8.190 nan 0.000 0.426 349 V N 5.584 125.552 119.914 0.090 0.000 2.384 349 V HA 0.463 4.589 4.120 0.009 0.000 0.287 349 V C -0.172 175.981 176.094 0.098 0.000 1.020 349 V CA -0.557 61.810 62.300 0.112 0.000 0.850 349 V CB 1.585 33.456 31.823 0.080 0.000 0.987 349 V HN 0.572 nan 8.190 nan 0.000 0.436 350 I N 6.146 126.772 120.570 0.093 0.000 2.342 350 I HA 0.282 4.457 4.170 0.009 0.000 0.291 350 I C 0.763 176.937 176.117 0.095 0.000 1.010 350 I CA 0.196 61.547 61.300 0.084 0.000 1.308 350 I CB 1.466 39.504 38.000 0.062 0.000 1.400 350 I HN 0.588 nan 8.210 nan 0.000 0.488 351 L N 4.813 126.096 121.223 0.100 0.000 2.575 351 L HA 0.377 4.722 4.340 0.009 0.000 0.228 351 L C 0.859 177.764 176.870 0.060 0.000 1.075 351 L CA 0.272 55.174 54.840 0.103 0.000 0.867 351 L CB 0.173 42.317 42.059 0.142 0.000 1.097 351 L HN 0.722 nan 8.230 nan 0.000 0.485 352 A N 0.000 122.852 122.820 0.054 0.000 2.254 352 A HA 0.000 4.325 4.320 0.009 0.000 0.244 352 A CA 0.000 52.059 52.037 0.036 0.000 0.836 352 A CB 0.000 19.018 19.000 0.031 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486