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 2c66_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.496 175.510 -0.022 0.000 1.280 3 N CA 0.000 52.927 53.050 -0.204 0.000 0.885 3 N CB 0.000 38.412 38.487 -0.124 0.000 1.341 4 K N 1.240 121.649 120.400 0.015 0.000 2.138 4 K HA 0.681 5.001 4.320 -0.000 0.000 0.263 4 K C -0.086 176.553 176.600 0.066 0.000 0.965 4 K CA -0.507 55.804 56.287 0.041 0.000 0.868 4 K CB 2.259 34.769 32.500 0.017 0.000 1.083 4 K HN 0.676 nan 8.250 nan 0.000 0.443 5 C N -1.432 117.909 119.300 0.068 0.000 3.249 5 C HA 0.306 4.766 4.460 -0.000 0.000 0.350 5 C C 0.515 175.541 174.990 0.060 0.000 1.431 5 C CA -0.803 58.255 59.018 0.068 0.000 1.209 5 C CB 0.762 28.554 27.740 0.088 0.000 1.546 5 C HN 0.837 nan 8.230 nan 0.000 0.450 6 D N 0.408 120.846 120.400 0.064 0.000 2.110 6 D HA 0.116 4.756 4.640 -0.000 0.000 0.202 6 D C 0.444 176.813 176.300 0.116 0.000 0.975 6 D CA 1.740 55.789 54.000 0.082 0.000 0.839 6 D CB 0.163 41.010 40.800 0.078 0.000 0.996 6 D HN 0.526 nan 8.370 nan 0.000 0.464 7 V N 1.527 121.498 119.914 0.096 0.000 2.577 7 V HA 0.252 4.372 4.120 -0.000 0.000 0.303 7 V C -0.071 176.055 176.094 0.054 0.000 1.042 7 V CA -0.861 61.497 62.300 0.097 0.000 0.872 7 V CB 2.693 34.562 31.823 0.077 0.000 0.998 7 V HN -0.230 nan 8.190 nan 0.000 0.423 8 V N 5.256 125.197 119.914 0.044 0.000 2.465 8 V HA 0.390 4.510 4.120 -0.000 0.000 0.279 8 V C -0.040 176.047 176.094 -0.012 0.000 1.045 8 V CA -0.339 61.956 62.300 -0.008 0.000 0.938 8 V CB 1.793 33.604 31.823 -0.019 0.000 0.986 8 V HN 0.639 nan 8.190 nan 0.000 0.467 9 V N 6.104 125.996 119.914 -0.037 0.000 2.357 9 V HA 0.320 4.440 4.120 -0.000 0.000 0.284 9 V C -0.050 176.015 176.094 -0.048 0.000 1.018 9 V CA -0.620 61.663 62.300 -0.028 0.000 0.841 9 V CB 1.754 33.564 31.823 -0.021 0.000 0.991 9 V HN 0.607 nan 8.190 nan 0.000 0.437 10 V N 4.551 124.448 119.914 -0.028 0.000 2.389 10 V HA 0.784 4.904 4.120 -0.000 0.000 0.264 10 V C 0.759 176.853 176.094 -0.001 0.000 1.049 10 V CA 0.479 62.762 62.300 -0.027 0.000 0.932 10 V CB 0.338 32.161 31.823 0.000 0.000 1.011 10 V HN 1.269 nan 8.190 nan 0.000 0.475 11 G N 3.573 112.361 108.800 -0.021 0.000 3.233 11 G HA2 0.226 4.186 3.960 -0.000 0.000 0.686 11 G HA3 0.226 4.186 3.960 -0.000 0.000 0.686 11 G C -0.037 174.863 174.900 -0.000 0.000 1.153 11 G CA -0.550 44.551 45.100 0.002 0.000 0.853 11 G HN 1.226 nan 8.290 nan 0.000 0.582 12 G N 0.848 109.645 108.800 -0.004 0.000 4.637 12 G HA2 0.714 4.674 3.960 -0.000 0.000 0.308 12 G HA3 0.714 4.674 3.960 -0.000 0.000 0.308 12 G C 0.747 175.662 174.900 0.025 0.000 1.377 12 G CA 0.860 45.960 45.100 -0.000 0.000 1.176 12 G HN 1.274 nan 8.290 nan 0.000 0.601 13 G N -0.196 108.631 108.800 0.044 0.000 2.532 13 G HA2 0.405 4.365 3.960 -0.000 0.000 0.291 13 G HA3 0.405 4.365 3.960 -0.000 0.000 0.291 13 G C 1.147 176.076 174.900 0.049 0.000 1.349 13 G CA -0.834 44.303 45.100 0.062 0.000 1.038 13 G HN 0.175 nan 8.290 nan 0.000 0.518 14 I N -0.484 120.119 120.570 0.055 0.000 2.208 14 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 14 I C 3.027 179.172 176.117 0.048 0.000 1.097 14 I CA 1.493 62.819 61.300 0.044 0.000 1.363 14 I CB -0.109 37.923 38.000 0.053 0.000 1.051 14 I HN 0.474 nan 8.210 nan 0.000 0.413 15 S N 0.639 116.380 115.700 0.068 0.000 2.354 15 S HA -0.173 4.297 4.470 -0.000 0.000 0.219 15 S C 2.158 176.788 174.600 0.050 0.000 1.035 15 S CA 1.796 60.040 58.200 0.072 0.000 1.037 15 S CB -0.826 62.436 63.200 0.103 0.000 0.956 15 S HN 0.579 nan 8.310 nan 0.000 0.428 16 G N 2.081 110.909 108.800 0.047 0.000 2.529 16 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 16 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 16 G C 1.455 176.360 174.900 0.008 0.000 1.177 16 G CA 1.474 46.590 45.100 0.025 0.000 0.773 16 G HN 0.411 nan 8.290 nan 0.000 0.573 17 M N 1.080 120.683 119.600 0.006 0.000 2.117 17 M HA 0.041 4.521 4.480 -0.000 0.000 0.262 17 M C 3.050 179.343 176.300 -0.012 0.000 1.065 17 M CA 1.292 56.586 55.300 -0.011 0.000 1.114 17 M CB -1.458 31.134 32.600 -0.013 0.000 1.361 17 M HN 0.336 nan 8.290 nan 0.000 0.408 18 A N 0.198 123.018 122.820 -0.000 0.000 1.902 18 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 18 A C 2.453 180.036 177.584 -0.002 0.000 1.181 18 A CA 2.231 54.268 52.037 0.000 0.000 0.623 18 A CB -0.961 18.046 19.000 0.012 0.000 0.818 18 A HN 0.481 nan 8.150 nan 0.000 0.443 19 A N -0.156 122.663 122.820 -0.001 0.000 1.902 19 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 19 A C 2.514 180.093 177.584 -0.009 0.000 1.181 19 A CA 2.238 54.268 52.037 -0.012 0.000 0.623 19 A CB -1.022 17.971 19.000 -0.010 0.000 0.818 19 A HN 1.066 nan 8.150 nan 0.000 0.443 20 A N -0.160 122.656 122.820 -0.006 0.000 1.898 20 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 20 A C 2.121 179.717 177.584 0.019 0.000 1.181 20 A CA 2.017 54.055 52.037 0.001 0.000 0.620 20 A CB -0.474 18.515 19.000 -0.018 0.000 0.819 20 A HN 0.589 nan 8.150 nan 0.000 0.442 21 K N -0.330 120.069 120.400 -0.001 0.000 2.032 21 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 21 K C 1.959 178.596 176.600 0.061 0.000 1.048 21 K CA 1.671 57.967 56.287 0.016 0.000 0.927 21 K CB -0.356 32.138 32.500 -0.010 0.000 0.712 21 K HN 0.421 nan 8.250 nan 0.000 0.441 22 L N 0.978 122.217 121.223 0.027 0.000 2.017 22 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 22 L C 2.208 179.087 176.870 0.016 0.000 1.073 22 L CA 1.208 56.056 54.840 0.014 0.000 0.745 22 L CB -0.155 41.896 42.059 -0.013 0.000 0.894 22 L HN 0.275 nan 8.230 nan 0.000 0.432 23 L N -1.033 120.199 121.223 0.016 0.000 2.046 23 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 23 L C 2.582 179.477 176.870 0.041 0.000 1.077 23 L CA 1.658 56.503 54.840 0.008 0.000 0.747 23 L CB -0.745 41.315 42.059 0.003 0.000 0.896 23 L HN 0.457 nan 8.230 nan 0.000 0.432 24 H N -0.243 118.815 119.070 -0.020 0.000 2.389 24 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 24 H C 1.727 177.047 175.328 -0.013 0.000 1.081 24 H CA 1.718 57.758 56.048 -0.013 0.000 1.345 24 H CB 0.135 29.890 29.762 -0.011 0.000 1.393 24 H HN 0.196 nan 8.280 nan 0.000 0.520 25 D N -0.500 119.935 120.400 0.059 0.000 2.264 25 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 25 D C 1.717 177.983 176.300 -0.056 0.000 0.966 25 D CA 0.886 54.884 54.000 -0.002 0.000 0.864 25 D CB -0.071 40.755 40.800 0.042 0.000 0.933 25 D HN 0.308 nan 8.370 nan 0.000 0.499 26 S N -1.374 114.295 115.700 -0.051 0.000 2.558 26 S HA 0.256 4.726 4.470 -0.000 0.000 0.217 26 S C 1.594 176.152 174.600 -0.069 0.000 0.975 26 S CA 0.607 58.776 58.200 -0.051 0.000 0.912 26 S CB 0.726 63.902 63.200 -0.041 0.000 0.776 26 S HN 0.443 nan 8.310 nan 0.000 0.526 27 G N 0.814 109.547 108.800 -0.112 0.000 2.213 27 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 27 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 27 G C 0.061 174.915 174.900 -0.077 0.000 0.992 27 G CA -0.279 44.756 45.100 -0.108 0.000 0.632 27 G HN 0.410 nan 8.290 nan 0.000 0.511 28 L N 1.032 122.226 121.223 -0.049 0.000 2.436 28 L HA 0.358 4.698 4.340 -0.000 0.000 0.265 28 L C 0.165 177.043 176.870 0.013 0.000 1.168 28 L CA -0.780 54.054 54.840 -0.009 0.000 0.815 28 L CB 0.322 42.385 42.059 0.006 0.000 1.109 28 L HN 0.043 nan 8.230 nan 0.000 0.462 29 N N 2.077 120.796 118.700 0.033 0.000 2.406 29 N HA 0.263 5.003 4.740 -0.000 0.000 0.251 29 N C -0.648 174.902 175.510 0.067 0.000 1.069 29 N CA -0.078 53.006 53.050 0.057 0.000 0.947 29 N CB 1.564 40.081 38.487 0.051 0.000 1.111 29 N HN 0.386 nan 8.380 nan 0.000 0.497 30 V N 0.177 120.139 119.914 0.080 0.000 2.628 30 V HA 0.668 4.788 4.120 -0.000 0.000 0.306 30 V C -0.094 176.024 176.094 0.040 0.000 1.045 30 V CA -0.779 61.556 62.300 0.058 0.000 0.905 30 V CB 1.922 33.778 31.823 0.054 0.000 0.997 30 V HN 0.143 nan 8.190 nan 0.000 0.436 31 V N 4.552 124.472 119.914 0.010 0.000 2.495 31 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 31 V C -0.160 175.884 176.094 -0.083 0.000 1.031 31 V CA -0.508 61.770 62.300 -0.037 0.000 0.871 31 V CB 2.010 33.799 31.823 -0.056 0.000 0.988 31 V HN 0.835 nan 8.190 nan 0.000 0.432 32 V N 6.698 126.557 119.914 -0.091 0.000 2.370 32 V HA 0.440 4.560 4.120 -0.000 0.000 0.279 32 V C -0.160 175.844 176.094 -0.151 0.000 1.029 32 V CA -0.398 61.842 62.300 -0.101 0.000 0.870 32 V CB 1.461 33.244 31.823 -0.066 0.000 0.984 32 V HN 0.598 nan 8.190 nan 0.000 0.451 33 L N 4.698 125.817 121.223 -0.173 0.000 2.276 33 L HA 0.604 4.944 4.340 -0.000 0.000 0.286 33 L C -0.292 176.494 176.870 -0.140 0.000 1.024 33 L CA -0.417 54.299 54.840 -0.207 0.000 0.826 33 L CB 1.584 43.474 42.059 -0.281 0.000 1.211 33 L HN 0.593 nan 8.230 nan 0.000 0.422 34 E N 2.245 122.367 120.200 -0.129 0.000 2.176 34 E HA 0.496 4.846 4.350 -0.000 0.000 0.267 34 E C 0.285 176.778 176.600 -0.179 0.000 0.893 34 E CA -0.342 55.985 56.400 -0.123 0.000 0.761 34 E CB 2.089 31.740 29.700 -0.082 0.000 1.133 34 E HN 0.551 nan 8.360 nan 0.000 0.409 35 A N 5.453 128.103 122.820 -0.284 0.000 1.930 35 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 35 A C 1.158 178.497 177.584 -0.407 0.000 1.175 35 A CA 0.981 52.703 52.037 -0.524 0.000 0.627 35 A CB -0.127 18.162 19.000 -1.186 0.000 0.815 35 A HN 0.578 nan 8.150 nan 0.000 0.443 36 R N -0.239 120.106 120.500 -0.259 0.000 2.541 36 R HA 0.246 4.586 4.340 -0.000 0.000 0.263 36 R C 0.026 176.282 176.300 -0.074 0.000 1.112 36 R CA 0.147 56.172 56.100 -0.124 0.000 1.170 36 R CB 0.204 30.471 30.300 -0.054 0.000 1.167 36 R HN 0.449 nan 8.270 nan 0.000 0.582 37 D N 0.310 120.685 120.400 -0.042 0.000 2.325 37 D HA -0.010 4.630 4.640 -0.000 0.000 0.234 37 D C -0.159 176.136 176.300 -0.009 0.000 1.122 37 D CA -0.002 53.985 54.000 -0.023 0.000 0.850 37 D CB -0.022 40.772 40.800 -0.011 0.000 0.921 37 D HN 0.423 nan 8.370 nan 0.000 0.513 38 R N -1.474 119.020 120.500 -0.010 0.000 2.752 38 R HA 0.603 4.943 4.340 -0.000 0.000 0.271 38 R C -0.847 175.465 176.300 0.021 0.000 1.026 38 R CA -1.144 54.967 56.100 0.018 0.000 0.901 38 R CB 1.081 31.408 30.300 0.045 0.000 1.243 38 R HN -0.102 nan 8.270 nan 0.000 0.463 39 V N -1.765 118.173 119.914 0.040 0.000 3.109 39 V HA 0.898 5.018 4.120 -0.000 0.000 0.317 39 V C 0.817 176.964 176.094 0.089 0.000 1.074 39 V CA 0.398 62.724 62.300 0.044 0.000 1.033 39 V CB 0.867 32.703 31.823 0.022 0.000 1.111 39 V HN 1.199 nan 8.190 nan 0.000 0.458 40 G N -0.541 108.314 108.800 0.090 0.000 2.481 40 G HA2 0.238 4.198 3.960 -0.000 0.000 0.200 40 G HA3 0.238 4.198 3.960 -0.000 0.000 0.200 40 G C 1.475 176.459 174.900 0.141 0.000 1.012 40 G CA 0.708 45.882 45.100 0.124 0.000 0.676 40 G HN 2.544 nan 8.290 nan 0.000 0.488 41 G N 0.700 109.593 108.800 0.155 0.000 2.620 41 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.315 41 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.315 41 G C 0.924 175.972 174.900 0.247 0.000 1.179 41 G CA 1.423 46.631 45.100 0.180 0.000 0.971 41 G HN 1.135 nan 8.290 nan 0.000 0.544 42 R N 1.890 122.454 120.500 0.106 0.000 2.323 42 R HA 0.245 4.585 4.340 -0.000 0.000 0.198 42 R C 1.048 177.230 176.300 -0.198 0.000 0.988 42 R CA 1.029 57.023 56.100 -0.176 0.000 1.041 42 R CB -0.180 29.986 30.300 -0.223 0.000 0.926 42 R HN 0.716 nan 8.270 nan 0.000 0.476 43 T N -2.548 112.048 114.554 0.071 0.000 2.859 43 T HA 0.372 4.722 4.350 -0.000 0.000 0.281 43 T C -1.033 173.890 174.700 0.371 0.000 1.005 43 T CA -0.665 61.526 62.100 0.152 0.000 1.025 43 T CB 1.701 70.633 68.868 0.107 0.000 0.977 43 T HN 0.080 nan 8.240 nan 0.000 0.458 44 Y N 1.273 121.722 120.300 0.248 0.000 2.358 44 Y HA 0.464 5.014 4.550 0.000 0.000 0.324 44 Y C -1.196 174.819 175.900 0.192 0.000 1.123 44 Y CA -0.935 57.315 58.100 0.251 0.000 1.067 44 Y CB 1.748 40.426 38.460 0.364 0.000 1.230 44 Y HN 0.886 nan 8.280 nan 0.000 0.429 45 T N 7.785 122.214 114.554 -0.207 0.000 2.770 45 T HA 0.382 4.732 4.350 -0.000 0.000 0.297 45 T C -0.817 173.537 174.700 -0.577 0.000 0.997 45 T CA -0.415 61.511 62.100 -0.289 0.000 0.949 45 T CB 0.618 69.439 68.868 -0.079 0.000 0.941 45 T HN 0.558 nan 8.240 nan 0.000 0.457 46 L N 4.501 125.370 121.223 -0.591 0.000 2.331 46 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 46 L C 0.023 176.812 176.870 -0.136 0.000 1.106 46 L CA 0.070 54.677 54.840 -0.388 0.000 0.824 46 L CB 0.322 42.227 42.059 -0.256 0.000 1.142 46 L HN 0.507 nan 8.230 nan 0.000 0.443 47 R N 3.776 124.227 120.500 -0.082 0.000 2.393 47 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 47 R C -1.016 175.257 176.300 -0.044 0.000 0.952 47 R CA -0.561 55.516 56.100 -0.038 0.000 0.842 47 R CB 1.091 31.385 30.300 -0.009 0.000 1.163 47 R HN 0.885 nan 8.270 nan 0.000 0.450 48 N N -0.809 117.846 118.700 -0.076 0.000 2.972 48 N HA 0.015 4.755 4.740 -0.000 0.000 0.262 48 N C -0.151 175.295 175.510 -0.106 0.000 1.478 48 N CA -0.958 52.047 53.050 -0.076 0.000 0.841 48 N CB 0.723 39.165 38.487 -0.075 0.000 1.512 48 N HN 0.294 nan 8.380 nan 0.000 0.548 49 Q N -0.680 119.065 119.800 -0.091 0.000 2.389 49 Q HA 0.076 4.416 4.340 -0.000 0.000 0.204 49 Q C 0.380 176.336 176.000 -0.072 0.000 0.944 49 Q CA 0.863 56.630 55.803 -0.059 0.000 0.908 49 Q CB 0.143 28.862 28.738 -0.031 0.000 1.002 49 Q HN 0.467 nan 8.270 nan 0.000 0.493 50 K N 0.147 120.412 120.400 -0.226 0.000 2.076 50 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 50 K C 1.991 178.386 176.600 -0.342 0.000 1.051 50 K CA 1.330 57.391 56.287 -0.377 0.000 0.949 50 K CB 0.016 31.957 32.500 -0.932 0.000 0.726 50 K HN 0.278 nan 8.250 nan 0.000 0.443 51 V N -1.857 117.777 119.914 -0.467 0.000 3.660 51 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 51 V C 1.535 177.227 176.094 -0.670 0.000 1.317 51 V CA 0.830 62.811 62.300 -0.532 0.000 1.097 51 V CB 0.077 31.624 31.823 -0.460 0.000 0.863 51 V HN 0.321 nan 8.190 nan 0.000 0.438 52 K N 0.579 120.656 120.400 -0.540 0.000 10.523 52 K HA -0.327 3.993 4.320 -0.000 0.000 0.521 52 K C 0.241 176.718 176.600 -0.204 0.000 0.393 52 K CA 2.786 58.812 56.287 -0.435 0.000 1.930 52 K CB -1.390 30.692 32.500 -0.698 0.000 0.780 52 K HN 0.966 nan 8.250 nan 0.000 1.177 53 Y N -2.824 117.324 120.300 -0.254 0.000 2.638 53 Y HA 0.730 5.280 4.550 -0.000 0.000 0.335 53 Y C -1.236 174.611 175.900 -0.088 0.000 1.155 53 Y CA -0.721 57.290 58.100 -0.148 0.000 1.046 53 Y CB 1.877 40.272 38.460 -0.108 0.000 1.303 53 Y HN 0.024 nan 8.280 nan 0.000 0.460 54 V N 1.868 121.866 119.914 0.141 0.000 2.851 54 V HA 0.277 4.397 4.120 -0.000 0.000 0.290 54 V C -1.787 174.365 176.094 0.096 0.000 1.330 54 V CA -0.716 61.656 62.300 0.121 0.000 0.944 54 V CB 1.847 33.738 31.823 0.113 0.000 1.090 54 V HN 0.922 nan 8.190 nan 0.000 0.436 55 D N 5.938 126.408 120.400 0.116 0.000 2.371 55 D HA 0.286 4.926 4.640 -0.000 0.000 0.256 55 D C 0.855 177.231 176.300 0.127 0.000 1.193 55 D CA 0.213 54.266 54.000 0.088 0.000 0.881 55 D CB 1.819 42.645 40.800 0.043 0.000 1.143 55 D HN 0.526 nan 8.370 nan 0.000 0.473 56 L N 1.426 122.778 121.223 0.215 0.000 2.607 56 L HA 0.246 4.586 4.340 -0.000 0.000 0.228 56 L C 1.406 178.667 176.870 0.653 0.000 1.123 56 L CA -0.064 55.004 54.840 0.380 0.000 0.890 56 L CB 0.336 42.625 42.059 0.384 0.000 1.103 56 L HN 0.355 nan 8.230 nan 0.000 0.468 57 G N -0.799 108.266 108.800 0.443 0.000 3.291 57 G HA2 0.430 4.390 3.960 -0.000 0.000 0.173 57 G HA3 0.430 4.390 3.960 -0.000 0.000 0.173 57 G C -0.215 174.676 174.900 -0.014 0.000 1.099 57 G CA -0.051 45.115 45.100 0.110 0.000 0.794 57 G HN 0.039 nan 8.290 nan 0.000 0.651 58 G N -0.579 108.151 108.800 -0.117 0.000 2.321 58 G HA2 0.373 4.333 3.960 -0.000 0.000 0.237 58 G HA3 0.373 4.333 3.960 -0.000 0.000 0.237 58 G C 0.504 175.365 174.900 -0.065 0.000 1.282 58 G CA 1.005 46.049 45.100 -0.094 0.000 0.886 58 G HN 0.866 nan 8.290 nan 0.000 0.528 59 S N 1.039 116.646 115.700 -0.155 0.000 3.364 59 S HA 0.194 4.664 4.470 -0.000 0.000 0.257 59 S C -0.007 174.307 174.600 -0.476 0.000 1.098 59 S CA -0.299 57.698 58.200 -0.338 0.000 0.888 59 S CB 0.012 62.845 63.200 -0.611 0.000 0.925 59 S HN 0.498 nan 8.310 nan 0.000 0.442 60 Y N 2.591 122.833 120.300 -0.096 0.000 2.299 60 Y HA 0.568 5.118 4.550 -0.000 0.000 0.326 60 Y C 0.144 175.909 175.900 -0.225 0.000 1.164 60 Y CA -0.522 57.482 58.100 -0.160 0.000 1.234 60 Y CB 1.345 39.764 38.460 -0.067 0.000 1.219 60 Y HN 0.105 nan 8.280 nan 0.000 0.497 61 V N -0.257 119.537 119.914 -0.201 0.000 3.007 61 V HA 1.090 5.210 4.120 -0.000 0.000 0.311 61 V C -0.425 175.496 176.094 -0.289 0.000 1.120 61 V CA -0.472 61.634 62.300 -0.322 0.000 0.980 61 V CB 1.611 33.147 31.823 -0.478 0.000 1.033 61 V HN 0.930 nan 8.190 nan 0.000 0.429 62 G N 1.342 109.928 108.800 -0.356 0.000 2.749 62 G HA2 0.784 4.744 3.960 -0.000 0.000 0.300 62 G HA3 0.784 4.744 3.960 -0.000 0.000 0.300 62 G C -3.372 171.389 174.900 -0.232 0.000 1.352 62 G CA -1.292 43.658 45.100 -0.251 0.000 0.789 62 G HN 0.726 nan 8.290 nan 0.000 0.509 63 P HA 0.129 nan 4.420 nan 0.000 0.268 63 P C 0.740 178.044 177.300 0.007 0.000 1.208 63 P CA 1.877 64.948 63.100 -0.047 0.000 0.777 63 P CB 0.962 32.658 31.700 -0.007 0.000 0.875 64 T N -1.920 112.672 114.554 0.062 0.000 7.013 64 T HA -0.265 4.085 4.350 -0.000 0.000 0.288 64 T C 0.226 175.011 174.700 0.142 0.000 2.146 64 T CA 1.162 63.385 62.100 0.205 0.000 3.498 64 T CB -2.694 66.414 68.868 0.399 0.000 1.517 64 T HN 0.609 nan 8.240 nan 0.000 1.113 65 Q N 1.422 121.103 119.800 -0.198 0.000 3.006 65 Q HA 0.394 4.734 4.340 -0.000 0.000 0.260 65 Q C 0.753 176.679 176.000 -0.123 0.000 1.356 65 Q CA -0.483 55.097 55.803 -0.371 0.000 1.070 65 Q CB 0.293 28.597 28.738 -0.724 0.000 1.507 65 Q HN 0.483 nan 8.270 nan 0.000 0.568 66 N N 0.917 119.621 118.700 0.007 0.000 2.416 66 N HA -0.034 4.706 4.740 -0.000 0.000 0.177 66 N C 1.224 176.755 175.510 0.035 0.000 1.036 66 N CA 0.580 53.646 53.050 0.027 0.000 0.901 66 N CB 0.312 38.832 38.487 0.055 0.000 0.976 66 N HN 0.391 nan 8.380 nan 0.000 0.444 67 R N 0.604 121.133 120.500 0.048 0.000 2.066 67 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 67 R C 1.953 178.277 176.300 0.041 0.000 1.131 67 R CA 0.832 56.963 56.100 0.052 0.000 0.955 67 R CB -0.471 29.874 30.300 0.075 0.000 0.851 67 R HN 0.097 nan 8.270 nan 0.000 0.432 68 I N 1.504 122.094 120.570 0.034 0.000 2.252 68 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 68 I C 2.015 178.203 176.117 0.118 0.000 1.102 68 I CA 1.263 62.605 61.300 0.070 0.000 1.385 68 I CB -0.212 37.835 38.000 0.078 0.000 1.064 68 I HN 0.101 nan 8.210 nan 0.000 0.414 69 L N 0.343 121.619 121.223 0.088 0.000 2.043 69 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 69 L C 2.773 179.690 176.870 0.077 0.000 1.075 69 L CA 1.768 56.671 54.840 0.104 0.000 0.752 69 L CB -0.828 41.252 42.059 0.034 0.000 0.891 69 L HN 0.322 nan 8.230 nan 0.000 0.432 70 R N 0.437 120.964 120.500 0.045 0.000 2.075 70 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 70 R C 2.252 178.559 176.300 0.011 0.000 1.114 70 R CA 1.265 57.382 56.100 0.028 0.000 0.972 70 R CB -0.584 29.732 30.300 0.026 0.000 0.869 70 R HN 0.244 nan 8.270 nan 0.000 0.437 71 L N 1.407 122.634 121.223 0.007 0.000 1.989 71 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 71 L C 2.425 179.260 176.870 -0.059 0.000 1.071 71 L CA 2.395 57.224 54.840 -0.019 0.000 0.749 71 L CB -0.955 41.094 42.059 -0.016 0.000 0.890 71 L HN 0.240 nan 8.230 nan 0.000 0.431 72 A N -0.685 122.086 122.820 -0.083 0.000 1.902 72 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 72 A C 2.464 179.979 177.584 -0.116 0.000 1.181 72 A CA 1.965 53.876 52.037 -0.209 0.000 0.623 72 A CB -0.661 18.084 19.000 -0.425 0.000 0.818 72 A HN 0.530 nan 8.150 nan 0.000 0.443 73 K N -0.247 120.138 120.400 -0.025 0.000 2.057 73 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 73 K C 2.048 178.635 176.600 -0.021 0.000 1.049 73 K CA 1.675 57.959 56.287 -0.005 0.000 0.931 73 K CB -0.191 32.323 32.500 0.023 0.000 0.714 73 K HN 0.615 nan 8.250 nan 0.000 0.440 74 E N 0.561 120.746 120.200 -0.024 0.000 2.110 74 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 74 E C 1.639 178.217 176.600 -0.037 0.000 0.988 74 E CA 0.878 57.264 56.400 -0.022 0.000 0.804 74 E CB 0.003 29.694 29.700 -0.016 0.000 0.745 74 E HN 0.360 nan 8.360 nan 0.000 0.458 75 L N -0.331 120.855 121.223 -0.062 0.000 2.650 75 L HA 0.091 4.431 4.340 -0.000 0.000 0.235 75 L C 1.347 178.170 176.870 -0.078 0.000 1.149 75 L CA 0.500 55.293 54.840 -0.077 0.000 0.887 75 L CB -0.060 41.933 42.059 -0.110 0.000 1.021 75 L HN 0.388 nan 8.230 nan 0.000 0.441 76 G N 0.018 108.782 108.800 -0.060 0.000 2.141 76 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 76 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 76 G C 0.150 175.018 174.900 -0.053 0.000 0.982 76 G CA -0.254 44.817 45.100 -0.048 0.000 0.662 76 G HN 0.238 nan 8.290 nan 0.000 0.527 77 L N -0.127 121.047 121.223 -0.081 0.000 2.357 77 L HA 0.732 5.072 4.340 -0.000 0.000 0.273 77 L C 0.573 177.465 176.870 0.037 0.000 1.080 77 L CA -0.684 54.110 54.840 -0.077 0.000 0.803 77 L CB 1.177 43.076 42.059 -0.265 0.000 1.174 77 L HN 0.160 nan 8.230 nan 0.000 0.443 78 E N 0.069 120.330 120.200 0.101 0.000 2.263 78 E HA 0.445 4.795 4.350 -0.000 0.000 0.264 78 E C -0.746 176.008 176.600 0.256 0.000 0.923 78 E CA -0.660 55.833 56.400 0.156 0.000 0.802 78 E CB 2.279 32.045 29.700 0.111 0.000 1.228 78 E HN 0.663 nan 8.360 nan 0.000 0.417 79 T N -1.027 113.638 114.554 0.184 0.000 2.925 79 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 79 T C -0.774 174.016 174.700 0.150 0.000 1.021 79 T CA -0.717 61.435 62.100 0.086 0.000 1.042 79 T CB 0.526 69.336 68.868 -0.097 0.000 1.037 79 T HN 0.485 nan 8.240 nan 0.000 0.481 80 Y N -0.601 119.710 120.300 0.018 0.000 2.598 80 Y HA 0.725 5.275 4.550 -0.000 0.000 0.340 80 Y C -0.374 175.536 175.900 0.016 0.000 1.038 80 Y CA -1.563 56.554 58.100 0.028 0.000 1.100 80 Y CB 1.427 39.920 38.460 0.055 0.000 1.281 80 Y HN 0.586 nan 8.280 nan 0.000 0.488 81 K N 2.189 122.664 120.400 0.125 0.000 2.276 81 K HA 0.363 4.683 4.320 -0.000 0.000 0.283 81 K C -0.807 175.841 176.600 0.079 0.000 1.044 81 K CA -0.655 55.652 56.287 0.033 0.000 0.944 81 K CB 1.476 34.016 32.500 0.066 0.000 1.012 81 K HN 0.593 nan 8.250 nan 0.000 0.472 82 V N 3.382 123.288 119.914 -0.013 0.000 2.673 82 V HA -0.112 4.008 4.120 -0.000 0.000 0.303 82 V C 0.593 176.743 176.094 0.093 0.000 1.046 82 V CA -0.141 62.201 62.300 0.071 0.000 1.126 82 V CB 0.324 32.181 31.823 0.057 0.000 0.934 82 V HN 0.725 nan 8.190 nan 0.000 0.487 83 N N 3.889 122.668 118.700 0.132 0.000 2.429 83 N HA 0.005 4.745 4.740 -0.000 0.000 0.271 83 N C 0.282 175.825 175.510 0.054 0.000 1.272 83 N CA 0.501 53.613 53.050 0.104 0.000 0.921 83 N CB 0.272 38.843 38.487 0.139 0.000 1.128 83 N HN 0.820 nan 8.380 nan 0.000 0.481 84 E N 2.840 123.060 120.200 0.033 0.000 2.968 84 E HA 0.125 4.475 4.350 -0.000 0.000 0.202 84 E C 0.350 176.951 176.600 0.001 0.000 0.979 84 E CA -0.076 56.325 56.400 0.002 0.000 1.192 84 E CB 0.259 29.951 29.700 -0.014 0.000 1.059 84 E HN 0.450 nan 8.360 nan 0.000 0.470 85 V N 0.488 120.413 119.914 0.019 0.000 2.379 85 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 85 V C 0.920 177.018 176.094 0.006 0.000 1.044 85 V CA 1.525 63.832 62.300 0.012 0.000 1.036 85 V CB -0.156 31.677 31.823 0.016 0.000 0.664 85 V HN 0.244 nan 8.190 nan 0.000 0.453 86 E N -0.591 119.620 120.200 0.019 0.000 3.099 86 E HA 0.405 4.755 4.350 -0.000 0.000 0.259 86 E C 0.184 176.787 176.600 0.005 0.000 1.274 86 E CA -0.679 55.734 56.400 0.021 0.000 1.111 86 E CB 0.211 29.939 29.700 0.047 0.000 1.327 86 E HN 0.296 nan 8.360 nan 0.000 0.652 87 R N 0.361 120.884 120.500 0.038 0.000 2.438 87 R HA 0.255 4.595 4.340 -0.000 0.000 0.287 87 R C -0.425 175.803 176.300 -0.119 0.000 1.077 87 R CA -0.554 55.532 56.100 -0.023 0.000 1.034 87 R CB 0.047 30.395 30.300 0.080 0.000 0.993 87 R HN 0.163 nan 8.270 nan 0.000 0.459 88 L N 2.872 123.831 121.223 -0.440 0.000 2.476 88 L HA 0.270 4.610 4.340 -0.000 0.000 0.255 88 L C 0.417 176.974 176.870 -0.522 0.000 1.218 88 L CA 0.497 54.974 54.840 -0.605 0.000 0.819 88 L CB 0.181 41.602 42.059 -1.064 0.000 1.119 88 L HN 0.492 nan 8.230 nan 0.000 0.485 89 I N -0.112 120.331 120.570 -0.210 0.000 2.499 89 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 89 I C -0.679 175.724 176.117 0.478 0.000 1.048 89 I CA -0.462 60.893 61.300 0.093 0.000 1.062 89 I CB 1.596 39.521 38.000 -0.125 0.000 1.238 89 I HN 0.559 nan 8.210 nan 0.000 0.426 90 H N 5.556 124.963 119.070 0.561 0.000 2.641 90 H HA 0.276 4.832 4.556 -0.000 0.000 0.295 90 H C -1.059 174.517 175.328 0.415 0.000 1.070 90 H CA -0.612 55.709 56.048 0.455 0.000 1.257 90 H CB 0.726 30.681 29.762 0.322 0.000 1.393 90 H HN 0.597 nan 8.280 nan 0.000 0.464 91 H N 4.305 123.522 119.070 0.245 0.000 2.552 91 H HA 0.394 4.950 4.556 -0.000 0.000 0.311 91 H C -1.335 173.996 175.328 0.005 0.000 1.071 91 H CA -0.396 55.716 56.048 0.106 0.000 1.307 91 H CB 0.758 30.578 29.762 0.097 0.000 1.416 91 H HN 0.321 nan 8.280 nan 0.000 0.464 92 V N 6.359 126.185 119.914 -0.146 0.000 2.711 92 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 92 V C -0.938 175.130 176.094 -0.044 0.000 1.097 92 V CA -0.949 61.291 62.300 -0.099 0.000 0.906 92 V CB 1.496 33.137 31.823 -0.304 0.000 1.015 92 V HN 1.028 nan 8.190 nan 0.000 0.427 93 K N 4.524 124.921 120.400 -0.005 0.000 3.148 93 K HA -0.208 4.112 4.320 -0.000 0.000 0.267 93 K C 0.866 177.442 176.600 -0.040 0.000 0.996 93 K CA 0.938 57.230 56.287 0.009 0.000 0.737 93 K CB -1.817 30.701 32.500 0.029 0.000 1.308 93 K HN 1.979 nan 8.250 nan 0.000 0.470 94 G N 0.061 108.809 108.800 -0.087 0.000 2.176 94 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.252 94 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.252 94 G C -0.111 174.600 174.900 -0.315 0.000 1.024 94 G CA 1.064 46.117 45.100 -0.077 0.000 0.755 94 G HN 0.547 nan 8.290 nan 0.000 0.507 95 K N -0.373 119.634 120.400 -0.654 0.000 2.498 95 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 95 K C -0.731 175.466 176.600 -0.670 0.000 0.933 95 K CA -0.581 55.399 56.287 -0.512 0.000 0.806 95 K CB 1.412 33.708 32.500 -0.340 0.000 1.301 95 K HN 0.054 nan 8.250 nan 0.000 0.432 96 S N 2.367 117.795 115.700 -0.453 0.000 2.437 96 S HA 0.415 4.885 4.470 -0.000 0.000 0.305 96 S C -1.487 172.930 174.600 -0.306 0.000 1.109 96 S CA -0.441 57.637 58.200 -0.203 0.000 1.099 96 S CB 0.358 63.584 63.200 0.043 0.000 1.004 96 S HN 0.417 nan 8.310 nan 0.000 0.475 97 Y N 3.626 124.007 120.300 0.135 0.000 2.712 97 Y HA 0.325 4.875 4.550 -0.000 0.000 0.328 97 Y C -2.180 173.927 175.900 0.345 0.000 0.995 97 Y CA -2.477 55.752 58.100 0.214 0.000 1.283 97 Y CB 0.593 39.173 38.460 0.200 0.000 1.092 97 Y HN 0.445 nan 8.280 nan 0.000 0.519 98 P HA 0.164 nan 4.420 nan 0.000 0.269 98 P C -0.764 176.814 177.300 0.464 0.000 1.215 98 P CA 0.211 63.524 63.100 0.355 0.000 0.780 98 P CB 0.876 32.783 31.700 0.345 0.000 0.898 99 F N -1.091 118.977 119.950 0.196 0.000 2.719 99 F HA 0.650 5.177 4.527 -0.000 0.000 0.309 99 F C -0.822 175.044 175.800 0.111 0.000 1.138 99 F CA -1.313 56.782 58.000 0.159 0.000 0.943 99 F CB 1.166 40.259 39.000 0.156 0.000 1.304 99 F HN 0.199 nan 8.300 nan 0.000 0.445 100 R N 1.154 121.758 120.500 0.173 0.000 2.893 100 R HA 0.911 5.251 4.340 -0.000 0.000 0.245 100 R C -0.099 176.294 176.300 0.155 0.000 1.192 100 R CA -0.982 55.141 56.100 0.038 0.000 1.077 100 R CB 1.075 31.393 30.300 0.030 0.000 1.253 100 R HN 1.639 nan 8.270 nan 0.000 0.505 101 G N 0.433 109.256 108.800 0.038 0.000 2.758 101 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 101 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 101 G C -1.891 173.016 174.900 0.012 0.000 1.389 101 G CA -0.522 44.566 45.100 -0.019 0.000 0.845 101 G HN 0.485 nan 8.290 nan 0.000 0.572 102 P HA 0.058 nan 4.420 nan 0.000 0.221 102 P C 0.522 177.912 177.300 0.151 0.000 1.150 102 P CA 1.176 64.174 63.100 -0.171 0.000 0.800 102 P CB 0.066 31.434 31.700 -0.554 0.000 0.787 103 F N 1.297 121.276 119.950 0.048 0.000 2.508 103 F HA 0.452 4.979 4.527 -0.000 0.000 0.325 103 F C -2.035 173.483 175.800 -0.470 0.000 1.090 103 F CA -3.543 54.350 58.000 -0.178 0.000 0.945 103 F CB 1.443 40.270 39.000 -0.287 0.000 1.156 103 F HN -0.325 nan 8.300 nan 0.000 0.463 104 P HA 0.097 nan 4.420 nan 0.000 0.267 104 P C -2.518 174.471 177.300 -0.518 0.000 1.205 104 P CA -1.003 61.324 63.100 -1.289 0.000 0.765 104 P CB 0.083 31.178 31.700 -1.009 0.000 0.828 105 P HA 0.185 nan 4.420 nan 0.000 0.274 105 P C -0.834 176.241 177.300 -0.375 0.000 1.237 105 P CA -0.199 62.701 63.100 -0.334 0.000 0.793 105 P CB 0.774 32.267 31.700 -0.345 0.000 0.977 106 V N 1.598 121.258 119.914 -0.422 0.000 2.577 106 V HA 0.212 4.332 4.120 -0.000 0.000 0.303 106 V C 0.197 176.101 176.094 -0.317 0.000 1.042 106 V CA -0.208 61.897 62.300 -0.325 0.000 0.872 106 V CB 1.670 33.292 31.823 -0.335 0.000 0.998 106 V HN 0.709 nan 8.190 nan 0.000 0.423 107 W N 1.170 122.456 121.300 -0.022 0.000 2.726 107 W HA 0.172 4.832 4.660 0.000 0.000 0.285 107 W C 1.434 177.953 176.519 -0.000 0.000 1.110 107 W CA 0.060 57.398 57.345 -0.011 0.000 1.579 107 W CB 0.166 29.608 29.460 -0.030 0.000 1.118 107 W HN 0.554 nan 8.180 nan 0.000 0.556 108 N N 2.219 121.059 118.700 0.233 0.000 2.301 108 N HA -0.077 4.663 4.740 -0.000 0.000 0.267 108 N C -1.899 173.693 175.510 0.136 0.000 1.304 108 N CA -0.121 53.017 53.050 0.145 0.000 0.851 108 N CB 1.145 39.690 38.487 0.097 0.000 1.070 108 N HN -0.095 nan 8.380 nan 0.000 0.483 109 P HA -0.020 nan 4.420 nan 0.000 0.222 109 P C 1.520 178.900 177.300 0.135 0.000 1.153 109 P CA 0.391 63.560 63.100 0.116 0.000 0.798 109 P CB 0.398 32.136 31.700 0.063 0.000 0.796 110 I N -0.327 120.304 120.570 0.103 0.000 2.202 110 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 110 I C 1.926 178.113 176.117 0.116 0.000 1.091 110 I CA 1.810 63.166 61.300 0.092 0.000 1.368 110 I CB -1.960 36.086 38.000 0.077 0.000 1.058 110 I HN 0.019 nan 8.210 nan 0.000 0.410 111 T N 0.470 115.095 114.554 0.117 0.000 2.720 111 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 111 T C 1.888 176.654 174.700 0.110 0.000 1.037 111 T CA 1.706 63.876 62.100 0.116 0.000 1.144 111 T CB -0.661 68.230 68.868 0.039 0.000 0.864 111 T HN 0.324 nan 8.240 nan 0.000 0.444 112 Y N 1.691 121.984 120.300 -0.011 0.000 2.181 112 Y HA -0.051 4.499 4.550 0.000 0.000 0.288 112 Y C 2.002 177.929 175.900 0.045 0.000 1.146 112 Y CA 1.034 59.121 58.100 -0.021 0.000 1.164 112 Y CB -0.449 37.981 38.460 -0.050 0.000 0.982 112 Y HN 0.133 nan 8.280 nan 0.000 0.515 113 L N -0.372 120.973 121.223 0.204 0.000 2.056 113 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 113 L C 2.192 179.074 176.870 0.019 0.000 1.078 113 L CA 1.692 56.594 54.840 0.104 0.000 0.749 113 L CB -0.697 41.418 42.059 0.092 0.000 0.901 113 L HN 0.178 nan 8.230 nan 0.000 0.433 114 D N -0.586 119.851 120.400 0.062 0.000 2.092 114 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 114 D C 2.175 178.496 176.300 0.034 0.000 0.994 114 D CA 1.397 55.437 54.000 0.068 0.000 0.828 114 D CB -0.010 40.867 40.800 0.128 0.000 0.963 114 D HN 0.305 nan 8.370 nan 0.000 0.450 115 H N -0.286 118.729 119.070 -0.092 0.000 2.290 115 H HA -0.126 4.430 4.556 0.000 0.000 0.298 115 H C 2.173 177.471 175.328 -0.050 0.000 1.087 115 H CA 1.254 57.253 56.048 -0.083 0.000 1.291 115 H CB -0.222 29.496 29.762 -0.073 0.000 1.369 115 H HN 0.288 nan 8.280 nan 0.000 0.492 116 N N 1.060 119.698 118.700 -0.104 0.000 2.120 116 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 116 N C 1.800 177.278 175.510 -0.053 0.000 1.024 116 N CA 0.824 53.796 53.050 -0.130 0.000 0.852 116 N CB -0.177 38.126 38.487 -0.306 0.000 1.003 116 N HN 0.404 nan 8.380 nan 0.000 0.424 117 N N -0.039 118.627 118.700 -0.057 0.000 2.244 117 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 117 N C 1.845 177.302 175.510 -0.089 0.000 1.016 117 N CA 0.592 53.605 53.050 -0.062 0.000 0.866 117 N CB -0.263 38.197 38.487 -0.044 0.000 0.980 117 N HN 0.243 nan 8.380 nan 0.000 0.430 118 F N 0.718 120.518 119.950 -0.250 0.000 2.051 118 F HA -0.083 4.444 4.527 -0.000 0.000 0.296 118 F C 1.758 177.330 175.800 -0.380 0.000 1.122 118 F CA 1.536 59.306 58.000 -0.383 0.000 1.201 118 F CB -0.923 37.714 39.000 -0.605 0.000 0.978 118 F HN 0.032 nan 8.300 nan 0.000 0.472 119 W N 0.727 121.724 121.300 -0.505 0.000 2.342 119 W HA -0.144 4.516 4.660 -0.000 0.000 0.297 119 W C 2.806 179.047 176.519 -0.462 0.000 1.213 119 W CA 1.424 58.419 57.345 -0.582 0.000 1.251 119 W CB -0.512 28.691 29.460 -0.427 0.000 1.136 119 W HN -0.014 nan 8.180 nan 0.000 0.526 120 R N 0.012 120.423 120.500 -0.149 0.000 2.073 120 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 120 R C 1.967 178.149 176.300 -0.197 0.000 1.120 120 R CA 1.964 57.976 56.100 -0.148 0.000 0.967 120 R CB -0.621 29.608 30.300 -0.118 0.000 0.862 120 R HN 0.011 nan 8.270 nan 0.000 0.436 121 T N 1.597 116.001 114.554 -0.249 0.000 2.777 121 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 121 T C 1.865 176.386 174.700 -0.298 0.000 1.040 121 T CA 1.350 63.306 62.100 -0.239 0.000 1.141 121 T CB -0.064 68.682 68.868 -0.204 0.000 0.868 121 T HN 0.149 nan 8.240 nan 0.000 0.444 122 M N 1.800 121.137 119.600 -0.439 0.000 2.088 122 M HA -0.153 4.327 4.480 -0.000 0.000 0.256 122 M C 1.847 178.000 176.300 -0.246 0.000 1.071 122 M CA 1.657 56.732 55.300 -0.374 0.000 1.097 122 M CB -1.238 31.099 32.600 -0.437 0.000 1.315 122 M HN 0.199 nan 8.290 nan 0.000 0.406 123 D N 0.267 120.540 120.400 -0.212 0.000 2.149 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 123 D C 1.642 177.864 176.300 -0.130 0.000 0.972 123 D CA 0.981 54.884 54.000 -0.162 0.000 0.835 123 D CB -0.307 40.407 40.800 -0.143 0.000 0.966 123 D HN 0.316 nan 8.370 nan 0.000 0.476 124 D N 0.253 120.577 120.400 -0.127 0.000 2.097 124 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 124 D C 2.185 178.466 176.300 -0.033 0.000 0.989 124 D CA 0.718 54.670 54.000 -0.078 0.000 0.827 124 D CB -0.204 40.551 40.800 -0.075 0.000 0.966 124 D HN 0.229 nan 8.370 nan 0.000 0.456 125 M N 0.135 119.683 119.600 -0.086 0.000 2.132 125 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 125 M C 2.290 178.619 176.300 0.048 0.000 1.065 125 M CA 1.533 56.796 55.300 -0.061 0.000 1.122 125 M CB -0.371 31.942 32.600 -0.477 0.000 1.365 125 M HN 0.025 nan 8.290 nan 0.000 0.411 126 G N -0.016 108.751 108.800 -0.055 0.000 2.450 126 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G C 1.606 176.497 174.900 -0.014 0.000 1.130 126 G CA 0.583 45.658 45.100 -0.042 0.000 0.760 126 G HN 0.397 nan 8.290 nan 0.000 0.557 127 R N -0.050 120.440 120.500 -0.016 0.000 2.285 127 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 127 R C 1.530 177.830 176.300 0.001 0.000 1.068 127 R CA 0.611 56.695 56.100 -0.026 0.000 1.004 127 R CB 0.142 30.419 30.300 -0.037 0.000 0.873 127 R HN 0.240 nan 8.270 nan 0.000 0.467 128 E N -0.073 120.165 120.200 0.063 0.000 2.474 128 E HA 0.121 4.471 4.350 -0.000 0.000 0.195 128 E C -0.012 176.603 176.600 0.026 0.000 1.039 128 E CA 0.279 56.709 56.400 0.049 0.000 0.881 128 E CB 0.616 30.379 29.700 0.105 0.000 0.970 128 E HN 0.275 nan 8.360 nan 0.000 0.486 129 I N 3.061 123.666 120.570 0.058 0.000 2.354 129 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 129 I C -2.418 173.691 176.117 -0.014 0.000 1.007 129 I CA -2.334 58.993 61.300 0.045 0.000 1.167 129 I CB 1.556 39.648 38.000 0.154 0.000 1.320 129 I HN -0.331 nan 8.210 nan 0.000 0.458 130 P HA 0.134 nan 4.420 nan 0.000 0.271 130 P C 0.608 177.855 177.300 -0.089 0.000 1.233 130 P CA 0.123 63.146 63.100 -0.128 0.000 0.764 130 P CB 0.964 32.541 31.700 -0.205 0.000 0.825 131 S N 2.637 118.314 115.700 -0.040 0.000 2.380 131 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 131 S C 1.326 175.978 174.600 0.086 0.000 1.043 131 S CA 2.128 60.370 58.200 0.070 0.000 1.038 131 S CB -0.672 62.500 63.200 -0.046 0.000 0.872 131 S HN 0.696 nan 8.310 nan 0.000 0.456 132 D N 0.249 120.576 120.400 -0.122 0.000 2.340 132 D HA 0.275 4.915 4.640 -0.000 0.000 0.220 132 D C 0.261 176.334 176.300 -0.378 0.000 1.039 132 D CA 0.521 54.406 54.000 -0.192 0.000 0.866 132 D CB 0.048 40.666 40.800 -0.304 0.000 0.913 132 D HN 0.301 nan 8.370 nan 0.000 0.523 133 A N 1.008 123.456 122.820 -0.620 0.000 3.330 133 A HA 0.359 4.679 4.320 -0.000 0.000 0.256 133 A C -2.128 174.634 177.584 -1.370 0.000 1.185 133 A CA -0.786 50.434 52.037 -1.363 0.000 0.940 133 A CB 0.861 19.345 19.000 -0.860 0.000 1.397 133 A HN -0.098 nan 8.150 nan 0.000 0.678 134 P HA -0.185 nan 4.420 nan 0.000 0.218 134 P C 1.181 178.231 177.300 -0.417 0.000 1.148 134 P CA 1.538 64.280 63.100 -0.597 0.000 0.822 134 P CB -0.348 30.985 31.700 -0.612 0.000 0.784 135 W N 0.493 121.719 121.300 -0.123 0.000 2.848 135 W HA 0.153 4.813 4.660 0.000 0.000 0.241 135 W C 1.366 177.839 176.519 -0.077 0.000 1.289 135 W CA 0.255 57.549 57.345 -0.084 0.000 1.396 135 W CB -1.367 28.041 29.460 -0.086 0.000 1.138 135 W HN -0.080 nan 8.180 nan 0.000 0.677 136 K N 0.772 120.962 120.400 -0.350 0.000 2.367 136 K HA 0.313 4.633 4.320 -0.000 0.000 0.194 136 K C 1.185 177.686 176.600 -0.166 0.000 1.027 136 K CA 0.156 56.327 56.287 -0.193 0.000 1.075 136 K CB 0.023 32.383 32.500 -0.233 0.000 0.845 136 K HN 0.084 nan 8.250 nan 0.000 0.529 137 A N 2.241 124.956 122.820 -0.174 0.000 2.587 137 A HA 0.009 4.329 4.320 -0.000 0.000 0.235 137 A C -1.642 175.806 177.584 -0.226 0.000 1.044 137 A CA -0.815 51.117 52.037 -0.176 0.000 0.754 137 A CB -0.024 18.890 19.000 -0.142 0.000 0.968 137 A HN 0.030 nan 8.150 nan 0.000 0.509 138 P HA -0.139 nan 4.420 nan 0.000 0.216 138 P C 0.609 177.711 177.300 -0.329 0.000 1.153 138 P CA 1.239 64.192 63.100 -0.244 0.000 0.858 138 P CB 0.044 31.615 31.700 -0.216 0.000 0.789 139 L N -2.104 118.762 121.223 -0.595 0.000 2.848 139 L HA 0.325 4.665 4.340 -0.000 0.000 0.240 139 L C 1.902 178.377 176.870 -0.659 0.000 1.232 139 L CA -0.284 54.118 54.840 -0.729 0.000 1.031 139 L CB -0.568 40.816 42.059 -1.126 0.000 1.338 139 L HN -0.089 nan 8.230 nan 0.000 0.509 140 A N 0.648 123.254 122.820 -0.355 0.000 1.884 140 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 140 A C 2.202 179.785 177.584 -0.002 0.000 1.197 140 A CA 1.902 53.874 52.037 -0.108 0.000 0.637 140 A CB -0.205 18.783 19.000 -0.021 0.000 0.827 140 A HN 0.509 nan 8.150 nan 0.000 0.450 141 E N -0.883 119.302 120.200 -0.026 0.000 2.031 141 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 141 E C 2.112 178.752 176.600 0.066 0.000 0.994 141 E CA 1.207 57.625 56.400 0.029 0.000 0.800 141 E CB -0.369 29.334 29.700 0.005 0.000 0.752 141 E HN 0.793 nan 8.360 nan 0.000 0.447 142 E N 0.029 120.241 120.200 0.020 0.000 2.065 142 E HA -0.216 4.133 4.350 -0.000 0.000 0.201 142 E C 1.877 178.653 176.600 0.294 0.000 1.016 142 E CA 1.434 57.896 56.400 0.103 0.000 0.818 142 E CB -0.047 29.675 29.700 0.036 0.000 0.749 142 E HN 0.305 nan 8.360 nan 0.000 0.453 143 W N 0.720 122.059 121.300 0.066 0.000 2.388 143 W HA -0.081 4.579 4.660 0.000 0.000 0.294 143 W C 2.006 178.594 176.519 0.115 0.000 1.212 143 W CA 0.743 58.139 57.345 0.086 0.000 1.271 143 W CB -1.083 28.427 29.460 0.083 0.000 1.126 143 W HN 0.196 nan 8.180 nan 0.000 0.535 144 D N -0.386 120.219 120.400 0.342 0.000 2.269 144 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 144 D C 1.129 177.556 176.300 0.210 0.000 0.963 144 D CA 0.876 55.038 54.000 0.270 0.000 0.864 144 D CB -0.262 40.675 40.800 0.228 0.000 0.936 144 D HN -0.114 nan 8.370 nan 0.000 0.505 145 N N -0.196 118.613 118.700 0.183 0.000 2.313 145 N HA 0.124 4.864 4.740 -0.000 0.000 0.207 145 N C -0.407 175.179 175.510 0.128 0.000 1.141 145 N CA 0.105 53.238 53.050 0.137 0.000 0.830 145 N CB 0.259 38.811 38.487 0.109 0.000 1.008 145 N HN 0.308 nan 8.380 nan 0.000 0.481 146 M N 0.077 119.767 119.600 0.149 0.000 2.386 146 M HA 0.202 4.682 4.480 -0.000 0.000 0.293 146 M C -0.424 175.949 176.300 0.121 0.000 1.120 146 M CA -0.570 54.802 55.300 0.121 0.000 0.909 146 M CB 1.938 34.619 32.600 0.134 0.000 1.661 146 M HN 0.028 nan 8.290 nan 0.000 0.452 147 T N 0.638 115.244 114.554 0.087 0.000 2.816 147 T HA 0.238 4.588 4.350 -0.000 0.000 0.282 147 T C 1.055 175.777 174.700 0.037 0.000 0.993 147 T CA -0.793 61.353 62.100 0.076 0.000 0.994 147 T CB 0.806 69.709 68.868 0.059 0.000 1.025 147 T HN 0.705 nan 8.240 nan 0.000 0.529 148 M N 0.176 119.773 119.600 -0.004 0.000 2.279 148 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 148 M C 2.128 178.371 176.300 -0.095 0.000 1.062 148 M CA 1.436 56.690 55.300 -0.077 0.000 1.099 148 M CB -1.441 31.018 32.600 -0.236 0.000 1.394 148 M HN 0.898 nan 8.290 nan 0.000 0.426 149 K N 0.737 121.090 120.400 -0.078 0.000 2.026 149 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 149 K C 1.662 178.230 176.600 -0.054 0.000 1.048 149 K CA 1.799 58.045 56.287 -0.068 0.000 0.929 149 K CB -0.086 32.404 32.500 -0.016 0.000 0.713 149 K HN 0.378 nan 8.250 nan 0.000 0.439 150 E N 0.203 120.388 120.200 -0.024 0.000 2.085 150 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 150 E C 2.003 178.585 176.600 -0.031 0.000 0.994 150 E CA 1.301 57.689 56.400 -0.020 0.000 0.801 150 E CB -0.189 29.516 29.700 0.008 0.000 0.743 150 E HN 0.233 nan 8.360 nan 0.000 0.453 151 L N 0.997 122.202 121.223 -0.030 0.000 2.027 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 151 L C 2.086 178.932 176.870 -0.039 0.000 1.074 151 L CA 1.488 56.307 54.840 -0.036 0.000 0.745 151 L CB -0.332 41.697 42.059 -0.049 0.000 0.898 151 L HN 0.126 nan 8.230 nan 0.000 0.433 152 L N -0.649 120.534 121.223 -0.066 0.000 2.013 152 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 152 L C 2.317 179.104 176.870 -0.139 0.000 1.073 152 L CA 1.587 56.350 54.840 -0.129 0.000 0.753 152 L CB -1.109 40.830 42.059 -0.201 0.000 0.890 152 L HN 0.318 nan 8.230 nan 0.000 0.432 153 D N 0.189 120.517 120.400 -0.120 0.000 2.133 153 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 153 D C 2.184 178.395 176.300 -0.148 0.000 0.997 153 D CA 1.388 55.308 54.000 -0.134 0.000 0.840 153 D CB -0.036 40.700 40.800 -0.108 0.000 0.947 153 D HN 0.198 nan 8.370 nan 0.000 0.452 154 K N -0.028 120.317 120.400 -0.092 0.000 2.001 154 K HA -0.000 4.320 4.320 -0.000 0.000 0.208 154 K C 2.257 178.853 176.600 -0.005 0.000 1.048 154 K CA 0.655 56.907 56.287 -0.058 0.000 0.932 154 K CB -0.114 32.383 32.500 -0.006 0.000 0.715 154 K HN 0.070 nan 8.250 nan 0.000 0.437 155 L N -0.056 121.182 121.223 0.025 0.000 2.109 155 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 155 L C 0.507 177.480 176.870 0.172 0.000 1.086 155 L CA 0.111 55.023 54.840 0.120 0.000 0.760 155 L CB 0.039 42.176 42.059 0.130 0.000 0.910 155 L HN 0.159 nan 8.230 nan 0.000 0.437 156 C N -0.450 118.852 119.300 0.003 0.000 2.246 156 C HA 0.129 4.589 4.460 -0.000 0.000 0.329 156 C C 0.759 175.747 174.990 -0.003 0.000 1.221 156 C CA -0.931 58.067 59.018 -0.032 0.000 1.697 156 C CB -0.661 26.937 27.740 -0.237 0.000 2.312 156 C HN 0.466 nan 8.230 nan 0.000 0.509 157 W N 1.961 123.218 121.300 -0.072 0.000 3.290 157 W HA 0.141 4.801 4.660 -0.000 0.000 0.287 157 W C 1.328 177.830 176.519 -0.030 0.000 1.288 157 W CA 0.070 57.391 57.345 -0.040 0.000 1.725 157 W CB -0.016 29.433 29.460 -0.018 0.000 1.103 157 W HN 0.667 nan 8.180 nan 0.000 0.670 158 T N -3.725 110.905 114.554 0.127 0.000 2.863 158 T HA 0.287 4.637 4.350 -0.000 0.000 0.285 158 T C 0.809 175.508 174.700 -0.002 0.000 1.009 158 T CA -0.649 61.496 62.100 0.075 0.000 0.989 158 T CB 2.581 71.521 68.868 0.120 0.000 1.004 158 T HN -0.212 nan 8.240 nan 0.000 0.455 159 E N 1.212 121.412 120.200 -0.001 0.000 2.153 159 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 159 E C 2.175 178.767 176.600 -0.013 0.000 0.988 159 E CA 1.500 57.885 56.400 -0.026 0.000 0.811 159 E CB -0.260 29.433 29.700 -0.012 0.000 0.746 159 E HN 0.787 nan 8.360 nan 0.000 0.466 160 S N 0.554 116.286 115.700 0.053 0.000 2.368 160 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 160 S C 2.146 176.810 174.600 0.108 0.000 1.029 160 S CA 1.325 59.606 58.200 0.135 0.000 0.988 160 S CB -0.019 63.299 63.200 0.196 0.000 0.838 160 S HN 0.236 nan 8.310 nan 0.000 0.462 161 A N 1.662 124.445 122.820 -0.061 0.000 1.930 161 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 161 A C 2.219 179.460 177.584 -0.572 0.000 1.175 161 A CA 1.687 53.327 52.037 -0.662 0.000 0.627 161 A CB -0.728 17.875 19.000 -0.662 0.000 0.815 161 A HN 0.683 nan 8.150 nan 0.000 0.443 162 K N -0.441 119.740 120.400 -0.364 0.000 2.025 162 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 162 K C 2.210 178.652 176.600 -0.264 0.000 1.049 162 K CA 1.574 57.647 56.287 -0.356 0.000 0.933 162 K CB -0.243 32.116 32.500 -0.236 0.000 0.714 162 K HN 0.597 nan 8.250 nan 0.000 0.438 163 Q N 0.423 120.136 119.800 -0.145 0.000 2.045 163 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 163 Q C 2.155 178.134 176.000 -0.035 0.000 0.991 163 Q CA 1.797 57.568 55.803 -0.054 0.000 0.851 163 Q CB -0.215 28.534 28.738 0.018 0.000 0.911 163 Q HN 0.245 nan 8.270 nan 0.000 0.418 164 L N 0.484 121.682 121.223 -0.042 0.000 2.046 164 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 164 L C 2.121 178.972 176.870 -0.031 0.000 1.077 164 L CA 2.171 57.030 54.840 0.033 0.000 0.747 164 L CB -1.026 41.088 42.059 0.092 0.000 0.896 164 L HN 0.174 nan 8.230 nan 0.000 0.432 165 A N -1.819 120.781 122.820 -0.367 0.000 1.902 165 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 165 A C 2.270 179.769 177.584 -0.141 0.000 1.181 165 A CA 2.273 54.029 52.037 -0.470 0.000 0.623 165 A CB -1.150 17.080 19.000 -1.283 0.000 0.818 165 A HN 0.494 nan 8.150 nan 0.000 0.443 166 T N 0.091 114.541 114.554 -0.174 0.000 2.708 166 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 166 T C 1.878 176.550 174.700 -0.048 0.000 1.037 166 T CA 1.458 63.479 62.100 -0.131 0.000 1.146 166 T CB -0.425 68.376 68.868 -0.112 0.000 0.865 166 T HN 0.420 nan 8.240 nan 0.000 0.435 167 L N 0.249 121.496 121.223 0.041 0.000 2.042 167 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 167 L C 2.235 179.204 176.870 0.165 0.000 1.076 167 L CA 1.542 56.448 54.840 0.110 0.000 0.749 167 L CB -0.418 41.745 42.059 0.174 0.000 0.893 167 L HN 0.209 nan 8.230 nan 0.000 0.432 168 F N -0.091 119.909 119.950 0.084 0.000 2.091 168 F HA -0.241 4.286 4.527 0.000 0.000 0.299 168 F C 2.106 177.979 175.800 0.123 0.000 1.103 168 F CA 2.130 60.231 58.000 0.169 0.000 1.228 168 F CB -0.777 38.445 39.000 0.370 0.000 0.984 168 F HN -0.104 nan 8.300 nan 0.000 0.477 169 V N 1.056 120.809 119.914 -0.269 0.000 2.295 169 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 169 V C 2.074 177.967 176.094 -0.335 0.000 1.049 169 V CA 2.405 64.367 62.300 -0.563 0.000 1.024 169 V CB -1.089 30.316 31.823 -0.695 0.000 0.648 169 V HN 0.413 nan 8.190 nan 0.000 0.447 170 N N 0.203 118.773 118.700 -0.215 0.000 2.036 170 N HA -0.234 4.506 4.740 -0.000 0.000 0.195 170 N C 1.810 177.237 175.510 -0.138 0.000 1.037 170 N CA 1.431 54.385 53.050 -0.160 0.000 0.855 170 N CB -0.313 38.127 38.487 -0.079 0.000 1.033 170 N HN 0.311 nan 8.380 nan 0.000 0.423 171 L N 1.282 122.463 121.223 -0.070 0.000 2.012 171 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 171 L C 2.465 179.313 176.870 -0.037 0.000 1.073 171 L CA 1.550 56.366 54.840 -0.040 0.000 0.748 171 L CB -0.992 41.065 42.059 -0.003 0.000 0.891 171 L HN 0.344 nan 8.230 nan 0.000 0.431 172 C N -1.356 117.896 119.300 -0.081 0.000 2.457 172 C HA 0.013 4.473 4.460 -0.000 0.000 0.278 172 C C 2.178 177.218 174.990 0.083 0.000 1.309 172 C CA 0.995 60.024 59.018 0.017 0.000 1.735 172 C CB -0.731 26.872 27.740 -0.228 0.000 1.992 172 C HN 0.541 nan 8.230 nan 0.000 0.493 173 V N -1.360 118.506 119.914 -0.079 0.000 3.276 173 V HA 0.333 4.453 4.120 -0.000 0.000 0.319 173 V C 0.768 176.693 176.094 -0.282 0.000 1.476 173 V CA 0.957 63.183 62.300 -0.125 0.000 1.097 173 V CB -1.314 30.567 31.823 0.096 0.000 0.988 173 V HN 0.608 nan 8.190 nan 0.000 0.473 174 T N -1.395 112.914 114.554 -0.407 0.000 3.760 174 T HA -0.076 4.274 4.350 -0.000 0.000 0.366 174 T C 0.114 174.636 174.700 -0.297 0.000 0.761 174 T CA 1.392 63.254 62.100 -0.397 0.000 1.887 174 T CB -2.506 66.012 68.868 -0.583 0.000 1.811 174 T HN 2.479 nan 8.240 nan 0.000 0.749 175 A N -0.224 122.402 122.820 -0.323 0.000 2.606 175 A HA 0.714 5.034 4.320 -0.000 0.000 0.293 175 A C -0.503 176.847 177.584 -0.390 0.000 1.082 175 A CA -1.068 50.704 52.037 -0.442 0.000 0.685 175 A CB 1.224 19.732 19.000 -0.819 0.000 1.284 175 A HN 0.354 nan 8.150 nan 0.000 0.408 176 E N 0.649 120.589 120.200 -0.435 0.000 2.349 176 E HA 0.246 4.596 4.350 -0.000 0.000 0.265 176 E C 1.330 177.593 176.600 -0.562 0.000 1.064 176 E CA 0.494 56.588 56.400 -0.510 0.000 0.886 176 E CB 0.971 30.184 29.700 -0.812 0.000 1.036 176 E HN 0.829 nan 8.360 nan 0.000 0.413 177 T N -0.993 113.278 114.554 -0.472 0.000 2.737 177 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 177 T C 1.487 176.020 174.700 -0.278 0.000 1.040 177 T CA 1.869 63.753 62.100 -0.359 0.000 1.142 177 T CB -0.480 68.227 68.868 -0.268 0.000 0.861 177 T HN 0.653 nan 8.240 nan 0.000 0.456 178 H N 0.893 119.895 119.070 -0.113 0.000 2.546 178 H HA 0.179 4.735 4.556 -0.000 0.000 0.277 178 H C 1.515 176.811 175.328 -0.053 0.000 1.004 178 H CA 1.062 57.066 56.048 -0.074 0.000 1.231 178 H CB -0.263 29.457 29.762 -0.070 0.000 1.382 178 H HN 0.560 nan 8.280 nan 0.000 0.580 179 E N 1.564 121.674 120.200 -0.149 0.000 2.318 179 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 179 E C 0.870 177.479 176.600 0.016 0.000 0.998 179 E CA 0.407 56.789 56.400 -0.030 0.000 0.859 179 E CB 0.697 30.283 29.700 -0.190 0.000 0.812 179 E HN 0.361 nan 8.360 nan 0.000 0.492 180 V N -0.724 119.167 119.914 -0.038 0.000 2.547 180 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 180 V C 0.105 176.338 176.094 0.230 0.000 1.040 180 V CA -1.197 61.185 62.300 0.136 0.000 0.913 180 V CB 1.840 33.775 31.823 0.187 0.000 0.992 180 V HN -0.012 nan 8.190 nan 0.000 0.449 181 S N 3.564 119.473 115.700 0.349 0.000 2.549 181 S HA 0.412 4.881 4.470 -0.000 0.000 0.286 181 S C 1.409 176.252 174.600 0.405 0.000 1.314 181 S CA 0.208 58.626 58.200 0.363 0.000 1.062 181 S CB 0.924 64.381 63.200 0.428 0.000 0.865 181 S HN 1.685 nan 8.310 nan 0.000 0.498 182 A N 4.901 127.891 122.820 0.283 0.000 1.873 182 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 182 A C 2.023 179.773 177.584 0.277 0.000 1.186 182 A CA 1.431 53.601 52.037 0.222 0.000 0.616 182 A CB -0.944 18.114 19.000 0.097 0.000 0.823 182 A HN 0.923 nan 8.150 nan 0.000 0.442 183 L N -1.286 120.147 121.223 0.349 0.000 2.013 183 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 183 L C 2.216 179.315 176.870 0.382 0.000 1.073 183 L CA 2.599 57.678 54.840 0.398 0.000 0.753 183 L CB -0.860 41.442 42.059 0.405 0.000 0.890 183 L HN 0.668 nan 8.230 nan 0.000 0.432 184 W N -0.623 120.844 121.300 0.278 0.000 2.358 184 W HA -0.292 4.368 4.660 0.000 0.000 0.303 184 W C 2.359 179.152 176.519 0.457 0.000 1.208 184 W CA 2.011 59.546 57.345 0.317 0.000 1.274 184 W CB -0.651 28.983 29.460 0.290 0.000 1.138 184 W HN 0.309 nan 8.180 nan 0.000 0.515 185 F N 0.439 120.396 119.950 0.012 0.000 2.163 185 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 185 F C 2.056 177.740 175.800 -0.193 0.000 1.094 185 F CA 1.853 59.669 58.000 -0.306 0.000 1.290 185 F CB -0.677 38.292 39.000 -0.053 0.000 1.017 185 F HN -0.189 nan 8.300 nan 0.000 0.483 186 L N -1.053 120.143 121.223 -0.045 0.000 2.083 186 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 186 L C 2.300 179.076 176.870 -0.157 0.000 1.083 186 L CA 1.698 56.462 54.840 -0.127 0.000 0.752 186 L CB -0.913 41.110 42.059 -0.060 0.000 0.899 186 L HN 0.483 nan 8.230 nan 0.000 0.433 187 W N -0.102 121.054 121.300 -0.240 0.000 2.378 187 W HA -0.288 4.372 4.660 0.000 0.000 0.313 187 W C 2.579 178.886 176.519 -0.354 0.000 1.197 187 W CA 1.302 58.500 57.345 -0.246 0.000 1.304 187 W CB -0.712 28.639 29.460 -0.181 0.000 1.148 187 W HN 0.085 nan 8.180 nan 0.000 0.494 188 Y N 0.787 120.572 120.300 -0.858 0.000 2.193 188 Y HA -0.313 4.237 4.550 -0.000 0.000 0.285 188 Y C 2.273 177.593 175.900 -0.967 0.000 1.166 188 Y CA 2.893 60.272 58.100 -1.201 0.000 1.181 188 Y CB -0.672 37.111 38.460 -1.129 0.000 0.976 188 Y HN -0.098 nan 8.280 nan 0.000 0.520 189 V N 0.304 119.777 119.914 -0.734 0.000 2.302 189 V HA -0.245 3.875 4.120 -0.000 0.000 0.243 189 V C 2.280 178.023 176.094 -0.586 0.000 1.036 189 V CA 2.014 63.954 62.300 -0.600 0.000 1.020 189 V CB -0.664 30.876 31.823 -0.471 0.000 0.657 189 V HN 0.369 nan 8.190 nan 0.000 0.453 190 K N 2.091 122.183 120.400 -0.513 0.000 2.044 190 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 190 K C 1.969 178.239 176.600 -0.550 0.000 1.049 190 K CA 2.570 58.597 56.287 -0.433 0.000 0.927 190 K CB -0.594 31.729 32.500 -0.295 0.000 0.713 190 K HN 0.618 nan 8.250 nan 0.000 0.443 191 Q N -0.516 118.820 119.800 -0.773 0.000 2.488 191 Q HA 0.017 4.357 4.340 -0.000 0.000 0.211 191 Q C 1.220 176.697 176.000 -0.872 0.000 0.967 191 Q CA 1.248 56.605 55.803 -0.744 0.000 0.926 191 Q CB -0.428 27.717 28.738 -0.989 0.000 0.992 191 Q HN 0.354 nan 8.270 nan 0.000 0.506 192 C N 0.249 118.890 119.300 -1.099 0.000 2.673 192 C HA 0.571 5.031 4.460 -0.000 0.000 0.274 192 C C 1.540 175.751 174.990 -1.300 0.000 1.276 192 C CA 0.137 58.128 59.018 -1.713 0.000 1.701 192 C CB -0.991 25.785 27.740 -1.608 0.000 1.836 192 C HN 0.833 nan 8.230 nan 0.000 0.596 193 G N 0.233 108.615 108.800 -0.697 0.000 2.141 193 G HA2 0.282 4.242 3.960 -0.000 0.000 0.231 193 G HA3 0.282 4.242 3.960 -0.000 0.000 0.231 193 G C 0.471 175.187 174.900 -0.307 0.000 0.984 193 G CA 0.060 44.925 45.100 -0.391 0.000 0.660 193 G HN 1.661 nan 8.290 nan 0.000 0.525 194 G N -2.173 106.417 108.800 -0.350 0.000 2.655 194 G HA2 0.305 4.265 3.960 -0.000 0.000 0.680 194 G HA3 0.305 4.265 3.960 -0.000 0.000 0.680 194 G C 1.070 175.845 174.900 -0.209 0.000 1.302 194 G CA 0.948 45.897 45.100 -0.251 0.000 0.872 194 G HN 1.888 nan 8.290 nan 0.000 0.540 195 T N -3.008 111.446 114.554 -0.168 0.000 2.708 195 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 195 T C 2.344 176.912 174.700 -0.219 0.000 1.037 195 T CA 2.950 64.944 62.100 -0.176 0.000 1.146 195 T CB -0.794 67.953 68.868 -0.202 0.000 0.865 195 T HN 0.965 nan 8.240 nan 0.000 0.435 196 T N 1.250 115.701 114.554 -0.171 0.000 2.708 196 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 196 T C 2.140 176.833 174.700 -0.010 0.000 1.037 196 T CA 1.540 63.616 62.100 -0.040 0.000 1.146 196 T CB -0.326 68.578 68.868 0.060 0.000 0.865 196 T HN 0.312 nan 8.240 nan 0.000 0.435 197 R N 0.966 121.438 120.500 -0.047 0.000 2.073 197 R HA 0.131 4.471 4.340 -0.000 0.000 0.234 197 R C 2.217 178.537 176.300 0.034 0.000 1.134 197 R CA 1.258 57.352 56.100 -0.010 0.000 0.952 197 R CB -0.907 29.351 30.300 -0.070 0.000 0.850 197 R HN 0.435 nan 8.270 nan 0.000 0.433 198 I N 0.332 120.875 120.570 -0.046 0.000 2.394 198 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 198 I C 1.685 177.886 176.117 0.140 0.000 1.136 198 I CA 1.280 62.608 61.300 0.045 0.000 1.425 198 I CB 0.046 38.033 38.000 -0.022 0.000 1.079 198 I HN 0.353 nan 8.210 nan 0.000 0.425 199 I N -2.582 118.033 120.570 0.075 0.000 3.427 199 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 199 I C 0.994 177.156 176.117 0.074 0.000 1.249 199 I CA 0.045 61.385 61.300 0.067 0.000 1.421 199 I CB -0.064 37.896 38.000 -0.068 0.000 1.086 199 I HN -0.120 nan 8.210 nan 0.000 0.448 200 S N 1.265 117.011 115.700 0.077 0.000 2.592 200 S HA 0.238 4.708 4.470 -0.000 0.000 0.271 200 S C 0.991 175.619 174.600 0.047 0.000 1.326 200 S CA -0.047 58.195 58.200 0.070 0.000 1.024 200 S CB 1.419 64.646 63.200 0.045 0.000 0.921 200 S HN 0.371 nan 8.310 nan 0.000 0.527 201 T N 2.121 116.695 114.554 0.034 0.000 2.925 201 T HA 0.028 4.378 4.350 -0.000 0.000 0.232 201 T C 0.571 175.264 174.700 -0.013 0.000 1.055 201 T CA 0.566 62.664 62.100 -0.004 0.000 1.419 201 T CB -0.430 68.436 68.868 -0.004 0.000 1.094 201 T HN 0.612 nan 8.240 nan 0.000 0.423 202 T N 3.492 118.037 114.554 -0.015 0.000 2.822 202 T HA 0.076 4.426 4.350 -0.000 0.000 0.288 202 T C 0.715 175.403 174.700 -0.020 0.000 0.991 202 T CA 0.566 62.654 62.100 -0.021 0.000 1.176 202 T CB -0.289 68.563 68.868 -0.027 0.000 0.951 202 T HN 0.552 nan 8.240 nan 0.000 0.526 203 N N 0.772 119.461 118.700 -0.018 0.000 2.850 203 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 203 N C 0.108 175.625 175.510 0.012 0.000 1.060 203 N CA 1.455 54.499 53.050 -0.009 0.000 0.825 203 N CB -1.069 37.408 38.487 -0.016 0.000 1.132 203 N HN 0.956 nan 8.380 nan 0.000 0.564 204 G N -3.196 105.612 108.800 0.014 0.000 2.921 204 G HA2 0.555 4.515 3.960 -0.000 0.000 0.291 204 G HA3 0.555 4.515 3.960 -0.000 0.000 0.291 204 G C 0.997 175.915 174.900 0.030 0.000 1.370 204 G CA 0.002 45.137 45.100 0.057 0.000 0.847 204 G HN 0.325 nan 8.290 nan 0.000 0.532 205 G N -0.913 107.956 108.800 0.115 0.000 2.499 205 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.221 205 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.221 205 G C 1.180 176.065 174.900 -0.024 0.000 1.109 205 G CA 1.173 46.272 45.100 -0.001 0.000 0.749 205 G HN 0.423 nan 8.290 nan 0.000 0.568 206 Q N -0.694 119.087 119.800 -0.031 0.000 2.188 206 Q HA 0.287 4.627 4.340 -0.000 0.000 0.212 206 Q C 1.688 177.643 176.000 -0.074 0.000 0.846 206 Q CA -0.134 55.592 55.803 -0.128 0.000 0.989 206 Q CB 0.699 29.286 28.738 -0.253 0.000 1.114 206 Q HN 0.598 nan 8.270 nan 0.000 0.488 207 E N 0.290 120.456 120.200 -0.056 0.000 2.106 207 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 207 E C -0.043 176.513 176.600 -0.073 0.000 0.984 207 E CA 0.777 57.143 56.400 -0.057 0.000 0.806 207 E CB 0.444 30.106 29.700 -0.064 0.000 0.750 207 E HN 0.140 nan 8.360 nan 0.000 0.458 208 R N -1.000 119.438 120.500 -0.102 0.000 2.799 208 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 208 R C -1.018 175.081 176.300 -0.335 0.000 1.010 208 R CA -0.767 55.187 56.100 -0.244 0.000 0.916 208 R CB 1.955 32.092 30.300 -0.272 0.000 1.228 208 R HN -0.179 nan 8.270 nan 0.000 0.469 209 K N 0.950 120.987 120.400 -0.606 0.000 2.480 209 K HA 0.401 4.721 4.320 -0.000 0.000 0.258 209 K C -1.029 175.261 176.600 -0.516 0.000 0.990 209 K CA -0.779 55.134 56.287 -0.624 0.000 0.857 209 K CB 1.780 33.944 32.500 -0.560 0.000 1.384 209 K HN 0.277 nan 8.250 nan 0.000 0.446 210 F N 1.147 121.026 119.950 -0.119 0.000 2.438 210 F HA 0.090 4.617 4.527 -0.000 0.000 0.356 210 F C 0.784 176.624 175.800 0.065 0.000 1.099 210 F CA -0.957 57.021 58.000 -0.036 0.000 1.185 210 F CB 0.884 39.843 39.000 -0.069 0.000 1.115 210 F HN 0.021 nan 8.300 nan 0.000 0.526 211 V N 4.121 124.236 119.914 0.335 0.000 2.475 211 V HA 0.173 4.293 4.120 -0.000 0.000 0.292 211 V C 0.946 176.958 176.094 -0.137 0.000 1.003 211 V CA 1.366 63.794 62.300 0.213 0.000 1.120 211 V CB -0.015 31.915 31.823 0.178 0.000 0.937 211 V HN 1.125 nan 8.190 nan 0.000 0.476 212 G N 3.419 111.788 108.800 -0.718 0.000 2.194 212 G HA2 0.149 4.109 3.960 -0.000 0.000 0.236 212 G HA3 0.149 4.109 3.960 -0.000 0.000 0.236 212 G C 0.754 175.140 174.900 -0.856 0.000 0.987 212 G CA -0.118 44.269 45.100 -1.188 0.000 0.635 212 G HN 2.382 nan 8.290 nan 0.000 0.520 213 G N -1.124 107.463 108.800 -0.355 0.000 2.719 213 G HA2 0.322 4.282 3.960 -0.000 0.000 0.686 213 G HA3 0.322 4.282 3.960 -0.000 0.000 0.686 213 G C 0.942 175.862 174.900 0.033 0.000 1.201 213 G CA 0.858 45.935 45.100 -0.038 0.000 0.768 213 G HN 1.901 nan 8.290 nan 0.000 0.629 214 S N 0.496 116.282 115.700 0.144 0.000 2.419 214 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 214 S C 2.647 177.260 174.600 0.023 0.000 1.016 214 S CA 1.833 60.141 58.200 0.180 0.000 0.974 214 S CB -0.356 62.978 63.200 0.223 0.000 0.786 214 S HN 2.253 nan 8.310 nan 0.000 0.492 215 G N 1.553 110.369 108.800 0.027 0.000 2.485 215 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.221 215 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.221 215 G C 1.453 176.336 174.900 -0.028 0.000 1.115 215 G CA 0.857 45.974 45.100 0.028 0.000 0.751 215 G HN 0.677 nan 8.290 nan 0.000 0.567 216 Q N -0.188 119.559 119.800 -0.089 0.000 2.291 216 Q HA -0.038 4.302 4.340 -0.000 0.000 0.206 216 Q C 2.707 178.618 176.000 -0.147 0.000 0.976 216 Q CA 0.922 56.650 55.803 -0.124 0.000 0.875 216 Q CB -0.195 28.442 28.738 -0.169 0.000 0.927 216 Q HN 0.427 nan 8.270 nan 0.000 0.450 217 V N 0.255 120.057 119.914 -0.187 0.000 2.287 217 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 217 V C 2.127 178.166 176.094 -0.092 0.000 1.053 217 V CA 2.137 64.331 62.300 -0.176 0.000 1.027 217 V CB -0.513 31.197 31.823 -0.189 0.000 0.646 217 V HN 0.303 nan 8.190 nan 0.000 0.447 218 S N -0.975 114.696 115.700 -0.049 0.000 2.357 218 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 218 S C 1.910 176.494 174.600 -0.027 0.000 1.031 218 S CA 1.270 59.457 58.200 -0.021 0.000 0.982 218 S CB -0.223 62.986 63.200 0.016 0.000 0.853 218 S HN 0.654 nan 8.310 nan 0.000 0.458 219 E N 1.079 121.265 120.200 -0.023 0.000 2.065 219 E HA -0.205 4.145 4.350 -0.000 0.000 0.201 219 E C 2.323 178.897 176.600 -0.044 0.000 1.016 219 E CA 1.318 57.703 56.400 -0.025 0.000 0.818 219 E CB -0.120 29.565 29.700 -0.025 0.000 0.749 219 E HN 0.314 nan 8.360 nan 0.000 0.453 220 R N -0.014 120.448 120.500 -0.063 0.000 2.148 220 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 220 R C 2.339 178.599 176.300 -0.067 0.000 1.103 220 R CA 0.838 56.898 56.100 -0.067 0.000 0.983 220 R CB -0.141 30.109 30.300 -0.084 0.000 0.874 220 R HN 0.257 nan 8.270 nan 0.000 0.451 221 I N 0.374 120.904 120.570 -0.068 0.000 2.439 221 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 221 I C 2.584 178.652 176.117 -0.082 0.000 1.139 221 I CA 0.950 62.205 61.300 -0.074 0.000 1.438 221 I CB -0.143 37.818 38.000 -0.064 0.000 1.085 221 I HN 0.196 nan 8.210 nan 0.000 0.427 222 M N 0.811 120.374 119.600 -0.063 0.000 2.159 222 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 222 M C 1.637 177.900 176.300 -0.062 0.000 1.063 222 M CA 1.909 57.174 55.300 -0.059 0.000 1.110 222 M CB -0.179 32.399 32.600 -0.037 0.000 1.374 222 M HN 0.152 nan 8.290 nan 0.000 0.411 223 D N 0.700 121.067 120.400 -0.055 0.000 2.123 223 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 223 D C 2.022 178.285 176.300 -0.061 0.000 0.992 223 D CA 1.462 55.433 54.000 -0.048 0.000 0.833 223 D CB -0.497 40.279 40.800 -0.041 0.000 0.954 223 D HN 0.426 nan 8.370 nan 0.000 0.455 224 L N 0.084 121.258 121.223 -0.081 0.000 2.046 224 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 224 L C 2.401 179.162 176.870 -0.182 0.000 1.077 224 L CA 0.758 55.533 54.840 -0.107 0.000 0.747 224 L CB -0.385 41.604 42.059 -0.117 0.000 0.896 224 L HN 0.009 nan 8.230 nan 0.000 0.432 225 L N -0.768 120.330 121.223 -0.208 0.000 2.492 225 L HA 0.129 4.469 4.340 -0.000 0.000 0.223 225 L C 1.766 178.565 176.870 -0.118 0.000 1.132 225 L CA 0.347 55.033 54.840 -0.256 0.000 0.850 225 L CB -0.922 41.005 42.059 -0.220 0.000 0.966 225 L HN 0.426 nan 8.230 nan 0.000 0.454 226 G N 1.997 110.752 108.800 -0.075 0.000 2.672 226 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.324 226 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.324 226 G C 0.628 175.513 174.900 -0.025 0.000 1.286 226 G CA 0.681 45.760 45.100 -0.035 0.000 1.004 226 G HN 0.545 nan 8.290 nan 0.000 0.548 227 D N 0.926 121.322 120.400 -0.006 0.000 2.363 227 D HA 0.036 4.676 4.640 -0.000 0.000 0.226 227 D C 2.051 178.359 176.300 0.013 0.000 1.020 227 D CA 0.593 54.597 54.000 0.006 0.000 0.892 227 D CB -0.354 40.457 40.800 0.017 0.000 0.900 227 D HN 0.632 nan 8.370 nan 0.000 0.531 228 R N -0.142 120.359 120.500 0.002 0.000 2.280 228 R HA 0.095 4.435 4.340 -0.000 0.000 0.207 228 R C 0.225 176.511 176.300 -0.023 0.000 1.043 228 R CA 0.219 56.321 56.100 0.003 0.000 1.006 228 R CB 0.268 30.567 30.300 -0.000 0.000 0.885 228 R HN 0.081 nan 8.270 nan 0.000 0.467 229 V N 2.789 122.684 119.914 -0.031 0.000 2.383 229 V HA 0.142 4.262 4.120 -0.000 0.000 0.275 229 V C -0.110 175.964 176.094 -0.034 0.000 1.036 229 V CA -0.603 61.671 62.300 -0.043 0.000 0.889 229 V CB 1.468 33.266 31.823 -0.042 0.000 0.985 229 V HN 0.050 nan 8.190 nan 0.000 0.459 230 K N 6.522 126.889 120.400 -0.055 0.000 2.316 230 K HA 0.538 4.858 4.320 -0.000 0.000 0.267 230 K C -0.710 175.859 176.600 -0.052 0.000 1.025 230 K CA -0.374 55.890 56.287 -0.038 0.000 0.896 230 K CB 1.953 34.429 32.500 -0.039 0.000 1.124 230 K HN 0.490 nan 8.250 nan 0.000 0.451 231 L N 1.597 122.801 121.223 -0.032 0.000 2.418 231 L HA 0.133 4.473 4.340 -0.000 0.000 0.265 231 L C 0.677 177.522 176.870 -0.042 0.000 1.143 231 L CA -0.129 54.687 54.840 -0.040 0.000 0.809 231 L CB 0.093 42.138 42.059 -0.023 0.000 1.124 231 L HN 0.718 nan 8.230 nan 0.000 0.456 232 E N 0.555 120.716 120.200 -0.065 0.000 2.360 232 E HA -0.226 4.124 4.350 -0.000 0.000 0.238 232 E C -0.561 175.999 176.600 -0.067 0.000 1.186 232 E CA 0.333 56.691 56.400 -0.069 0.000 0.719 232 E CB -0.630 29.052 29.700 -0.031 0.000 1.236 232 E HN 0.338 nan 8.360 nan 0.000 0.386 233 R N 0.094 120.536 120.500 -0.098 0.000 2.724 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.284 233 R C -2.712 173.509 176.300 -0.132 0.000 1.481 233 R CA -2.059 53.991 56.100 -0.083 0.000 1.652 233 R CB 0.579 30.833 30.300 -0.077 0.000 1.175 233 R HN -0.016 nan 8.270 nan 0.000 0.613 234 P HA -0.031 nan 4.420 nan 0.000 0.266 234 P C -0.294 176.968 177.300 -0.064 0.000 1.215 234 P CA 0.012 63.008 63.100 -0.174 0.000 0.763 234 P CB 0.762 32.388 31.700 -0.123 0.000 0.806 235 V N 5.853 125.739 119.914 -0.048 0.000 2.572 235 V HA 0.034 4.154 4.120 -0.000 0.000 0.291 235 V C 1.741 177.847 176.094 0.021 0.000 1.039 235 V CA 0.438 62.729 62.300 -0.015 0.000 1.055 235 V CB 0.324 32.127 31.823 -0.033 0.000 0.969 235 V HN 0.529 nan 8.190 nan 0.000 0.482 236 I N 1.846 122.441 120.570 0.042 0.000 4.139 236 I HA 0.458 4.628 4.170 -0.000 0.000 0.335 236 I C -0.079 176.131 176.117 0.154 0.000 1.327 236 I CA 0.072 61.425 61.300 0.088 0.000 1.112 236 I CB 0.592 38.622 38.000 0.051 0.000 1.058 236 I HN 0.519 nan 8.210 nan 0.000 0.396 237 Y N 1.619 121.856 120.300 -0.105 0.000 2.337 237 Y HA 0.619 5.169 4.550 -0.000 0.000 0.318 237 Y C -2.145 173.673 175.900 -0.137 0.000 1.258 237 Y CA -1.590 56.434 58.100 -0.127 0.000 1.132 237 Y CB 1.180 39.599 38.460 -0.068 0.000 1.307 237 Y HN 0.027 nan 8.280 nan 0.000 0.428 238 I N 5.765 125.893 120.570 -0.737 0.000 2.499 238 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 238 I C -1.330 174.385 176.117 -0.671 0.000 1.048 238 I CA -0.714 60.231 61.300 -0.591 0.000 1.062 238 I CB 1.964 39.804 38.000 -0.267 0.000 1.238 238 I HN 0.514 nan 8.210 nan 0.000 0.426 239 D N 5.421 125.493 120.400 -0.546 0.000 2.408 239 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 239 D C -0.221 176.013 176.300 -0.111 0.000 1.075 239 D CA -0.165 53.646 54.000 -0.314 0.000 0.832 239 D CB 1.879 42.530 40.800 -0.249 0.000 1.162 239 D HN 0.527 nan 8.370 nan 0.000 0.515 240 Q N 1.381 121.160 119.800 -0.035 0.000 2.171 240 Q HA 0.043 4.383 4.340 -0.000 0.000 0.218 240 Q C 1.455 177.455 176.000 0.001 0.000 0.822 240 Q CA 0.043 55.841 55.803 -0.009 0.000 0.987 240 Q CB 0.902 29.649 28.738 0.016 0.000 1.144 240 Q HN 0.602 nan 8.270 nan 0.000 0.494 241 T N -2.029 112.531 114.554 0.011 0.000 2.951 241 T HA 0.032 4.382 4.350 -0.000 0.000 0.268 241 T C 1.093 175.800 174.700 0.012 0.000 1.073 241 T CA 0.391 62.503 62.100 0.020 0.000 1.134 241 T CB 0.268 69.158 68.868 0.037 0.000 0.884 241 T HN 0.031 nan 8.240 nan 0.000 0.479 242 R N 0.432 120.935 120.500 0.005 0.000 2.606 242 R HA 0.410 4.750 4.340 -0.000 0.000 0.249 242 R C 1.762 178.053 176.300 -0.014 0.000 1.127 242 R CA -0.402 55.698 56.100 0.000 0.000 1.133 242 R CB 0.541 30.844 30.300 0.005 0.000 1.243 242 R HN 0.286 nan 8.270 nan 0.000 0.558 243 E N 0.646 120.835 120.200 -0.017 0.000 2.038 243 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 243 E C -0.298 176.271 176.600 -0.051 0.000 1.000 243 E CA 1.157 57.539 56.400 -0.030 0.000 0.803 243 E CB 0.132 29.817 29.700 -0.024 0.000 0.750 243 E HN 0.322 nan 8.360 nan 0.000 0.448 244 N N 0.472 119.145 118.700 -0.045 0.000 2.487 244 N HA 0.156 4.896 4.740 -0.000 0.000 0.292 244 N C -0.875 174.607 175.510 -0.046 0.000 1.108 244 N CA -0.316 52.699 53.050 -0.058 0.000 0.956 244 N CB 1.927 40.390 38.487 -0.040 0.000 1.176 244 N HN -0.102 nan 8.380 nan 0.000 0.484 245 V N 2.029 121.909 119.914 -0.057 0.000 2.572 245 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 245 V C 0.511 176.593 176.094 -0.021 0.000 1.039 245 V CA -0.299 61.977 62.300 -0.041 0.000 1.055 245 V CB -0.045 31.757 31.823 -0.035 0.000 0.969 245 V HN 0.359 nan 8.190 nan 0.000 0.482 246 L N 5.548 126.749 121.223 -0.036 0.000 2.287 246 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 246 L C -0.539 176.301 176.870 -0.050 0.000 1.022 246 L CA -0.481 54.351 54.840 -0.014 0.000 0.814 246 L CB 1.739 43.802 42.059 0.007 0.000 1.217 246 L HN 0.384 nan 8.230 nan 0.000 0.420 247 V N 2.910 122.845 119.914 0.034 0.000 2.409 247 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 247 V C -0.163 176.015 176.094 0.140 0.000 1.020 247 V CA -0.594 61.726 62.300 0.033 0.000 0.848 247 V CB 1.791 33.639 31.823 0.041 0.000 0.990 247 V HN 0.723 nan 8.190 nan 0.000 0.430 248 E N 2.634 122.918 120.200 0.140 0.000 2.202 248 E HA 0.658 5.008 4.350 -0.000 0.000 0.272 248 E C -0.311 176.367 176.600 0.131 0.000 0.951 248 E CA -0.447 56.069 56.400 0.193 0.000 0.813 248 E CB 1.896 31.762 29.700 0.276 0.000 1.151 248 E HN 0.841 nan 8.360 nan 0.000 0.398 249 T N 0.649 115.271 114.554 0.114 0.000 2.949 249 T HA 0.214 4.564 4.350 -0.000 0.000 0.287 249 T C 0.872 175.543 174.700 -0.049 0.000 1.034 249 T CA -0.819 61.307 62.100 0.043 0.000 1.018 249 T CB 1.142 70.055 68.868 0.074 0.000 1.135 249 T HN 0.419 nan 8.240 nan 0.000 0.532 250 L N 1.769 122.944 121.223 -0.080 0.000 2.083 250 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 250 L C 2.076 178.764 176.870 -0.303 0.000 1.083 250 L CA 2.297 57.035 54.840 -0.171 0.000 0.752 250 L CB -1.099 40.916 42.059 -0.073 0.000 0.899 250 L HN 0.951 nan 8.230 nan 0.000 0.433 251 N N -2.723 115.901 118.700 -0.127 0.000 2.515 251 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 251 N C 0.176 175.736 175.510 0.084 0.000 1.182 251 N CA 0.788 53.827 53.050 -0.019 0.000 0.879 251 N CB -0.284 38.226 38.487 0.039 0.000 0.984 251 N HN 0.552 nan 8.380 nan 0.000 0.453 252 H N -3.297 115.795 119.070 0.036 0.000 3.282 252 H HA -0.114 4.442 4.556 -0.000 0.000 0.202 252 H C -0.864 174.476 175.328 0.020 0.000 1.097 252 H CA 0.638 56.699 56.048 0.022 0.000 1.151 252 H CB -1.625 28.139 29.762 0.004 0.000 1.128 252 H HN 0.460 nan 8.280 nan 0.000 0.319 253 E N 0.796 121.069 120.200 0.121 0.000 2.318 253 E HA 0.446 4.796 4.350 -0.000 0.000 0.265 253 E C 0.071 176.694 176.600 0.037 0.000 1.069 253 E CA -0.476 55.952 56.400 0.046 0.000 0.893 253 E CB 0.787 30.533 29.700 0.076 0.000 1.076 253 E HN 0.039 nan 8.360 nan 0.000 0.414 254 M N 2.122 121.634 119.600 -0.147 0.000 2.326 254 M HA 0.365 4.845 4.480 -0.000 0.000 0.306 254 M C -1.547 174.556 176.300 -0.329 0.000 1.054 254 M CA -0.592 54.661 55.300 -0.079 0.000 0.922 254 M CB 1.209 33.786 32.600 -0.038 0.000 1.632 254 M HN 0.509 nan 8.290 nan 0.000 0.436 255 Y N 0.339 120.650 120.300 0.018 0.000 2.524 255 Y HA 0.564 5.114 4.550 -0.000 0.000 0.344 255 Y C -0.064 175.837 175.900 0.002 0.000 1.012 255 Y CA -0.740 57.365 58.100 0.009 0.000 1.068 255 Y CB 1.799 40.262 38.460 0.005 0.000 1.249 255 Y HN 0.559 nan 8.280 nan 0.000 0.468 256 E N 1.279 121.556 120.200 0.128 0.000 2.256 256 E HA 0.840 5.190 4.350 -0.000 0.000 0.268 256 E C -1.654 174.982 176.600 0.060 0.000 0.877 256 E CA -0.706 55.731 56.400 0.062 0.000 0.757 256 E CB 1.673 31.386 29.700 0.022 0.000 1.183 256 E HN 0.785 nan 8.360 nan 0.000 0.418 257 A N 3.302 126.139 122.820 0.027 0.000 2.602 257 A HA 0.372 4.692 4.320 -0.000 0.000 0.290 257 A C -0.184 177.367 177.584 -0.055 0.000 1.114 257 A CA -0.630 51.416 52.037 0.015 0.000 0.683 257 A CB 1.424 20.453 19.000 0.050 0.000 1.281 257 A HN 0.646 nan 8.150 nan 0.000 0.416 258 K N -0.945 119.402 120.400 -0.090 0.000 2.116 258 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 258 K C -0.724 175.543 176.600 -0.556 0.000 1.052 258 K CA 1.474 57.564 56.287 -0.328 0.000 0.952 258 K CB -0.051 32.278 32.500 -0.284 0.000 0.729 258 K HN 0.577 nan 8.250 nan 0.000 0.446 259 Y N -0.882 119.438 120.300 0.034 0.000 2.534 259 Y HA 0.352 4.902 4.550 0.000 0.000 0.345 259 Y C -0.729 175.193 175.900 0.035 0.000 1.031 259 Y CA -1.271 56.861 58.100 0.053 0.000 1.022 259 Y CB 1.989 40.468 38.460 0.032 0.000 1.292 259 Y HN -0.405 nan 8.280 nan 0.000 0.459 260 V N 4.006 124.056 119.914 0.227 0.000 2.604 260 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 260 V C -0.519 175.623 176.094 0.079 0.000 1.043 260 V CA -0.820 61.542 62.300 0.102 0.000 0.888 260 V CB 1.960 33.811 31.823 0.046 0.000 0.995 260 V HN 0.560 nan 8.190 nan 0.000 0.429 261 I N 2.944 123.529 120.570 0.024 0.000 2.404 261 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 261 I C 0.178 176.274 176.117 -0.036 0.000 0.992 261 I CA -0.207 61.084 61.300 -0.016 0.000 1.149 261 I CB 2.030 40.030 38.000 0.000 0.000 1.315 261 I HN 0.615 nan 8.210 nan 0.000 0.446 262 S N 5.263 120.907 115.700 -0.094 0.000 2.410 262 S HA 0.627 5.097 4.470 -0.000 0.000 0.304 262 S C 0.159 174.825 174.600 0.111 0.000 1.095 262 S CA -0.428 57.780 58.200 0.013 0.000 1.089 262 S CB 0.799 64.007 63.200 0.012 0.000 0.968 262 S HN 0.710 nan 8.310 nan 0.000 0.480 263 A N 6.023 128.907 122.820 0.107 0.000 2.985 263 A HA 0.508 4.828 4.320 -0.000 0.000 0.303 263 A C 0.148 177.811 177.584 0.131 0.000 1.048 263 A CA -0.703 51.406 52.037 0.119 0.000 1.016 263 A CB -0.512 18.534 19.000 0.078 0.000 1.118 263 A HN 0.962 nan 8.150 nan 0.000 0.529 264 I N -3.861 116.807 120.570 0.164 0.000 2.892 264 I HA 0.691 4.861 4.170 -0.000 0.000 0.306 264 I C -3.012 173.207 176.117 0.169 0.000 1.078 264 I CA -3.060 58.335 61.300 0.159 0.000 1.032 264 I CB 1.856 39.951 38.000 0.159 0.000 1.229 264 I HN -0.136 nan 8.210 nan 0.000 0.435 265 P HA 0.074 nan 4.420 nan 0.000 0.261 265 P C -2.138 175.222 177.300 0.100 0.000 1.165 265 P CA -0.363 62.809 63.100 0.121 0.000 0.759 265 P CB 0.004 31.762 31.700 0.095 0.000 0.772 266 P HA -0.262 nan 4.420 nan 0.000 0.217 266 P C 1.607 178.895 177.300 -0.019 0.000 1.158 266 P CA 1.923 65.035 63.100 0.019 0.000 0.887 266 P CB -0.267 31.411 31.700 -0.038 0.000 0.792 267 T N -1.483 113.033 114.554 -0.062 0.000 2.915 267 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 267 T C 1.557 176.249 174.700 -0.014 0.000 1.071 267 T CA 0.685 62.737 62.100 -0.080 0.000 1.132 267 T CB -0.797 67.984 68.868 -0.145 0.000 0.878 267 T HN -0.041 nan 8.240 nan 0.000 0.479 268 L N 0.408 121.652 121.223 0.035 0.000 2.362 268 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 268 L C 2.887 179.828 176.870 0.118 0.000 1.134 268 L CA 0.830 55.717 54.840 0.077 0.000 0.807 268 L CB -0.947 41.183 42.059 0.118 0.000 0.927 268 L HN 0.361 nan 8.230 nan 0.000 0.447 269 G N 0.169 109.055 108.800 0.143 0.000 2.517 269 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.222 269 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.222 269 G C 1.605 176.633 174.900 0.213 0.000 1.109 269 G CA 0.486 45.725 45.100 0.232 0.000 0.746 269 G HN 0.148 nan 8.290 nan 0.000 0.576 270 M N 0.480 120.138 119.600 0.097 0.000 2.195 270 M HA -0.050 4.430 4.480 -0.000 0.000 0.260 270 M C 2.093 178.396 176.300 0.004 0.000 1.066 270 M CA 1.108 56.431 55.300 0.038 0.000 1.089 270 M CB -0.635 31.955 32.600 -0.017 0.000 1.377 270 M HN 0.166 nan 8.290 nan 0.000 0.411 271 K N 0.117 120.540 120.400 0.039 0.000 2.589 271 K HA 0.133 4.453 4.320 -0.000 0.000 0.192 271 K C 0.203 176.829 176.600 0.044 0.000 1.029 271 K CA 0.425 56.741 56.287 0.048 0.000 1.031 271 K CB -0.128 32.438 32.500 0.110 0.000 0.821 271 K HN 0.352 nan 8.250 nan 0.000 0.502 272 I N 0.709 121.260 120.570 -0.032 0.000 2.498 272 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 272 I C 0.029 175.964 176.117 -0.304 0.000 1.032 272 I CA -0.750 60.450 61.300 -0.168 0.000 1.073 272 I CB 1.775 39.541 38.000 -0.390 0.000 1.251 272 I HN 0.025 nan 8.210 nan 0.000 0.426 273 H N 5.861 124.819 119.070 -0.187 0.000 2.527 273 H HA 0.375 4.931 4.556 -0.000 0.000 0.321 273 H C -1.147 174.085 175.328 -0.161 0.000 1.087 273 H CA -0.135 55.893 56.048 -0.034 0.000 1.337 273 H CB 1.236 31.066 29.762 0.113 0.000 1.440 273 H HN 0.305 nan 8.280 nan 0.000 0.490 274 F N 1.667 121.745 119.950 0.213 0.000 2.480 274 F HA 0.188 4.715 4.527 -0.000 0.000 0.329 274 F C 0.500 176.374 175.800 0.124 0.000 1.091 274 F CA -0.743 57.318 58.000 0.102 0.000 0.972 274 F CB 1.544 40.576 39.000 0.053 0.000 1.150 274 F HN 0.478 nan 8.300 nan 0.000 0.467 275 N N 3.712 122.549 118.700 0.229 0.000 2.500 275 N HA 0.410 5.150 4.740 -0.000 0.000 0.291 275 N C -3.107 172.468 175.510 0.108 0.000 1.092 275 N CA -2.171 50.985 53.050 0.178 0.000 0.890 275 N CB 2.221 40.842 38.487 0.223 0.000 1.466 275 N HN 0.046 nan 8.380 nan 0.000 0.507 276 P HA 0.327 nan 4.420 nan 0.000 0.274 276 P C -2.667 174.713 177.300 0.132 0.000 1.256 276 P CA -1.081 62.081 63.100 0.102 0.000 0.795 276 P CB -0.396 31.340 31.700 0.061 0.000 1.038 277 P HA 0.072 nan 4.420 nan 0.000 0.266 277 P C 0.056 177.370 177.300 0.024 0.000 1.195 277 P CA 0.299 63.463 63.100 0.107 0.000 0.768 277 P CB 0.123 31.868 31.700 0.076 0.000 0.838 278 L N 4.478 125.667 121.223 -0.057 0.000 2.529 278 L HA 0.045 4.385 4.340 -0.000 0.000 0.287 278 L C -1.500 175.314 176.870 -0.093 0.000 1.241 278 L CA -1.302 53.432 54.840 -0.177 0.000 0.857 278 L CB -0.806 41.066 42.059 -0.313 0.000 1.113 278 L HN 0.337 nan 8.230 nan 0.000 0.504 279 P HA -0.089 nan 4.420 nan 0.000 0.270 279 P C 0.616 177.884 177.300 -0.053 0.000 1.227 279 P CA -0.215 62.850 63.100 -0.059 0.000 0.788 279 P CB 0.420 32.083 31.700 -0.060 0.000 0.926 280 M N 0.911 120.492 119.600 -0.033 0.000 2.080 280 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 280 M C 1.321 177.628 176.300 0.011 0.000 1.068 280 M CA 2.249 57.540 55.300 -0.014 0.000 1.109 280 M CB -0.405 32.189 32.600 -0.010 0.000 1.342 280 M HN 0.099 nan 8.290 nan 0.000 0.405 281 M N 0.207 119.807 119.600 0.001 0.000 2.065 281 M HA -0.187 4.293 4.480 -0.000 0.000 0.259 281 M C 2.363 178.708 176.300 0.074 0.000 1.069 281 M CA 1.991 57.328 55.300 0.060 0.000 1.110 281 M CB -1.628 30.944 32.600 -0.047 0.000 1.328 281 M HN 0.431 nan 8.290 nan 0.000 0.405 282 R N 0.293 120.766 120.500 -0.046 0.000 2.096 282 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 282 R C 2.022 178.247 176.300 -0.124 0.000 1.127 282 R CA 1.874 57.902 56.100 -0.120 0.000 0.968 282 R CB -0.286 29.893 30.300 -0.202 0.000 0.861 282 R HN 0.388 nan 8.270 nan 0.000 0.440 283 N N 0.341 118.983 118.700 -0.097 0.000 2.061 283 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 283 N C 1.591 177.046 175.510 -0.091 0.000 1.030 283 N CA 2.025 55.024 53.050 -0.085 0.000 0.856 283 N CB -0.006 38.451 38.487 -0.051 0.000 1.023 283 N HN 0.378 nan 8.380 nan 0.000 0.424 284 Q N -1.096 118.659 119.800 -0.076 0.000 2.212 284 Q HA -0.043 4.297 4.340 -0.000 0.000 0.199 284 Q C 1.986 177.755 176.000 -0.385 0.000 0.950 284 Q CA 0.585 56.293 55.803 -0.159 0.000 0.863 284 Q CB -0.110 28.598 28.738 -0.049 0.000 0.944 284 Q HN 0.499 nan 8.270 nan 0.000 0.465 285 M N 1.714 121.079 119.600 -0.391 0.000 2.082 285 M HA -0.174 4.306 4.480 -0.000 0.000 0.258 285 M C 2.064 178.144 176.300 -0.366 0.000 1.069 285 M CA 1.682 56.692 55.300 -0.484 0.000 1.102 285 M CB -0.522 31.964 32.600 -0.190 0.000 1.336 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.449 118.972 120.570 -0.250 0.000 3.164 286 I HA -0.122 4.048 4.170 -0.000 0.000 0.278 286 I C 1.548 177.539 176.117 -0.210 0.000 1.320 286 I CA 1.530 62.708 61.300 -0.202 0.000 1.422 286 I CB -1.146 36.783 38.000 -0.118 0.000 1.066 286 I HN 0.368 nan 8.210 nan 0.000 0.503 287 T N -2.510 111.895 114.554 -0.249 0.000 3.054 287 T HA 0.285 4.635 4.350 -0.000 0.000 0.255 287 T C 1.482 176.013 174.700 -0.281 0.000 1.035 287 T CA -0.284 61.681 62.100 -0.225 0.000 0.941 287 T CB 0.016 68.778 68.868 -0.176 0.000 1.026 287 T HN 0.392 nan 8.240 nan 0.000 0.533 288 R N 0.934 121.207 120.500 -0.378 0.000 2.472 288 R HA 0.326 4.666 4.340 -0.000 0.000 0.279 288 R C -0.059 175.923 176.300 -0.530 0.000 0.953 288 R CA 0.052 55.896 56.100 -0.427 0.000 1.088 288 R CB 1.259 31.247 30.300 -0.520 0.000 1.197 288 R HN 0.439 nan 8.270 nan 0.000 0.536 289 V N -0.711 118.874 119.914 -0.547 0.000 2.383 289 V HA 0.458 4.578 4.120 -0.000 0.000 0.261 289 V C -2.578 173.151 176.094 -0.608 0.000 0.987 289 V CA -2.334 59.521 62.300 -0.741 0.000 0.853 289 V CB 0.696 32.008 31.823 -0.851 0.000 1.095 289 V HN -0.103 nan 8.190 nan 0.000 0.461 290 P HA 0.439 nan 4.420 nan 0.000 0.273 290 P C -0.803 176.171 177.300 -0.543 0.000 1.250 290 P CA -0.233 62.530 63.100 -0.562 0.000 0.793 290 P CB 1.626 32.966 31.700 -0.599 0.000 1.011 291 L N -0.003 121.083 121.223 -0.229 0.000 2.346 291 L HA 0.569 4.909 4.340 -0.000 0.000 0.274 291 L C 1.261 178.203 176.870 0.120 0.000 1.007 291 L CA -0.352 54.464 54.840 -0.039 0.000 0.818 291 L CB 1.148 43.212 42.059 0.010 0.000 1.284 291 L HN 0.466 nan 8.230 nan 0.000 0.424 292 G N 0.560 109.479 108.800 0.197 0.000 2.684 292 G HA2 0.391 4.351 3.960 -0.000 0.000 0.255 292 G HA3 0.391 4.351 3.960 -0.000 0.000 0.255 292 G C -0.628 174.289 174.900 0.028 0.000 1.219 292 G CA -0.386 44.783 45.100 0.114 0.000 0.901 292 G HN 0.528 nan 8.290 nan 0.000 0.548 293 S N -1.279 114.413 115.700 -0.014 0.000 2.449 293 S HA 0.590 5.060 4.470 -0.000 0.000 0.310 293 S C -0.747 173.851 174.600 -0.003 0.000 1.096 293 S CA -0.576 57.637 58.200 0.022 0.000 1.095 293 S CB 1.695 64.915 63.200 0.034 0.000 1.007 293 S HN 0.773 nan 8.310 nan 0.000 0.474 294 V N 4.428 124.392 119.914 0.084 0.000 3.048 294 V HA 0.589 4.709 4.120 -0.000 0.000 0.303 294 V C -1.868 174.393 176.094 0.279 0.000 1.214 294 V CA -0.827 61.558 62.300 0.141 0.000 0.984 294 V CB 1.878 33.745 31.823 0.073 0.000 1.054 294 V HN 0.887 nan 8.190 nan 0.000 0.430 295 I N 4.938 125.684 120.570 0.294 0.000 2.378 295 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 295 I C -0.271 176.087 176.117 0.400 0.000 0.992 295 I CA -0.559 60.930 61.300 0.316 0.000 1.154 295 I CB 1.764 39.887 38.000 0.206 0.000 1.315 295 I HN 0.515 nan 8.210 nan 0.000 0.448 296 K N 6.051 126.706 120.400 0.426 0.000 2.240 296 K HA 0.578 4.898 4.320 -0.000 0.000 0.271 296 K C -1.463 175.232 176.600 0.157 0.000 1.018 296 K CA -0.353 56.131 56.287 0.329 0.000 0.874 296 K CB 0.822 33.576 32.500 0.424 0.000 1.098 296 K HN 0.696 nan 8.250 nan 0.000 0.458 297 C N 5.244 124.595 119.300 0.084 0.000 2.455 297 C HA 0.596 5.056 4.460 -0.000 0.000 0.320 297 C C -0.677 174.342 174.990 0.048 0.000 1.226 297 C CA -1.152 57.914 59.018 0.079 0.000 1.569 297 C CB -0.051 27.856 27.740 0.279 0.000 2.200 297 C HN 0.718 nan 8.230 nan 0.000 0.491 298 I N 2.678 123.240 120.570 -0.013 0.000 2.418 298 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 298 I C -0.304 175.856 176.117 0.072 0.000 1.008 298 I CA -0.162 61.122 61.300 -0.028 0.000 1.104 298 I CB 1.513 39.463 38.000 -0.083 0.000 1.264 298 I HN 0.381 nan 8.210 nan 0.000 0.438 299 V N 6.736 126.681 119.914 0.052 0.000 2.370 299 V HA 0.374 4.494 4.120 -0.000 0.000 0.283 299 V C -0.575 175.362 176.094 -0.261 0.000 1.023 299 V CA -0.737 61.617 62.300 0.090 0.000 0.857 299 V CB 0.688 32.616 31.823 0.175 0.000 0.985 299 V HN 0.403 nan 8.190 nan 0.000 0.443 300 Y N 4.255 124.522 120.300 -0.056 0.000 2.320 300 Y HA 0.626 5.176 4.550 -0.000 0.000 0.324 300 Y C -0.185 175.562 175.900 -0.254 0.000 1.190 300 Y CA -0.217 57.884 58.100 0.001 0.000 1.215 300 Y CB 1.080 39.634 38.460 0.157 0.000 1.221 300 Y HN 0.531 nan 8.280 nan 0.000 0.486 301 Y N 0.119 120.651 120.300 0.387 0.000 2.581 301 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 301 Y C 1.009 177.049 175.900 0.234 0.000 1.036 301 Y CA -1.506 56.801 58.100 0.345 0.000 1.042 301 Y CB 1.795 40.555 38.460 0.500 0.000 1.289 301 Y HN 0.514 nan 8.280 nan 0.000 0.471 302 K N 0.461 121.069 120.400 0.347 0.000 2.211 302 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 302 K C -0.564 176.102 176.600 0.109 0.000 1.050 302 K CA 1.631 58.017 56.287 0.166 0.000 0.945 302 K CB 0.265 32.833 32.500 0.112 0.000 0.732 302 K HN 0.815 nan 8.250 nan 0.000 0.451 303 E N -0.046 120.242 120.200 0.145 0.000 2.413 303 E HA 0.250 4.600 4.350 -0.000 0.000 0.277 303 E C -2.799 173.679 176.600 -0.203 0.000 0.958 303 E CA -2.431 53.963 56.400 -0.009 0.000 0.779 303 E CB 2.592 32.275 29.700 -0.029 0.000 1.278 303 E HN -0.033 nan 8.360 nan 0.000 0.456 304 P HA 0.055 nan 4.420 nan 0.000 0.230 304 P C 0.194 176.544 177.300 -1.584 0.000 1.791 304 P CA -0.012 62.212 63.100 -1.461 0.000 1.020 304 P CB -0.812 30.350 31.700 -0.897 0.000 1.977 305 F N 0.242 119.579 119.950 -1.021 0.000 2.216 305 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 305 F C 1.925 177.550 175.800 -0.291 0.000 1.085 305 F CA -0.016 57.717 58.000 -0.445 0.000 1.326 305 F CB -1.797 37.080 39.000 -0.206 0.000 1.027 305 F HN 0.132 nan 8.300 nan 0.000 0.497 306 W N 1.515 122.474 121.300 -0.569 0.000 2.325 306 W HA -0.071 4.589 4.660 0.000 0.000 0.299 306 W C 2.118 178.580 176.519 -0.095 0.000 1.215 306 W CA 1.163 58.378 57.345 -0.217 0.000 1.244 306 W CB -1.219 28.052 29.460 -0.316 0.000 1.140 306 W HN -0.119 nan 8.180 nan 0.000 0.523 307 R N 1.188 121.459 120.500 -0.381 0.000 2.103 307 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 307 R C 2.136 178.352 176.300 -0.140 0.000 1.142 307 R CA 2.342 58.328 56.100 -0.190 0.000 0.960 307 R CB -0.518 29.608 30.300 -0.289 0.000 0.858 307 R HN 0.315 nan 8.270 nan 0.000 0.439 308 K N 0.562 120.871 120.400 -0.153 0.000 2.147 308 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 308 K C 1.549 178.082 176.600 -0.111 0.000 1.049 308 K CA 1.136 57.361 56.287 -0.103 0.000 0.936 308 K CB -0.001 32.456 32.500 -0.071 0.000 0.722 308 K HN 0.121 nan 8.250 nan 0.000 0.446 309 K N 0.973 121.288 120.400 -0.141 0.000 2.505 309 K HA -0.055 4.265 4.320 -0.000 0.000 0.192 309 K C -0.414 175.866 176.600 -0.533 0.000 1.025 309 K CA 0.250 56.351 56.287 -0.310 0.000 1.086 309 K CB 0.120 32.414 32.500 -0.345 0.000 0.840 309 K HN 0.062 nan 8.250 nan 0.000 0.514 310 D N -0.063 120.158 120.400 -0.298 0.000 2.775 310 D HA -0.211 4.429 4.640 -0.000 0.000 0.235 310 D C -1.446 174.754 176.300 -0.166 0.000 1.120 310 D CA 0.816 54.697 54.000 -0.199 0.000 0.708 310 D CB -1.444 39.262 40.800 -0.157 0.000 1.084 310 D HN 0.330 nan 8.370 nan 0.000 0.434 311 Y N -0.926 119.410 120.300 0.060 0.000 2.429 311 Y HA 0.342 4.892 4.550 0.000 0.000 0.342 311 Y C 2.034 178.012 175.900 0.129 0.000 1.004 311 Y CA -0.931 57.203 58.100 0.057 0.000 1.075 311 Y CB 1.333 39.831 38.460 0.063 0.000 1.214 311 Y HN 0.238 nan 8.280 nan 0.000 0.455 312 C N -1.162 118.256 119.300 0.196 0.000 2.485 312 C HA 0.480 4.940 4.460 -0.000 0.000 0.277 312 C C 1.701 176.746 174.990 0.092 0.000 1.376 312 C CA 0.715 59.828 59.018 0.157 0.000 1.759 312 C CB -0.815 26.944 27.740 0.032 0.000 1.970 312 C HN 1.220 nan 8.230 nan 0.000 0.509 313 G N -0.443 108.245 108.800 -0.186 0.000 2.296 313 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.188 313 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.188 313 G C 0.022 174.608 174.900 -0.524 0.000 1.000 313 G CA 0.153 44.858 45.100 -0.659 0.000 0.672 313 G HN 0.530 nan 8.290 nan 0.000 0.483 314 T N 2.658 116.999 114.554 -0.355 0.000 2.779 314 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 314 T C 0.305 174.800 174.700 -0.341 0.000 0.938 314 T CA 0.614 62.484 62.100 -0.382 0.000 1.119 314 T CB 0.708 69.413 68.868 -0.271 0.000 0.891 314 T HN 0.289 nan 8.240 nan 0.000 0.526 315 M N 4.044 123.418 119.600 -0.376 0.000 2.326 315 M HA 0.493 4.973 4.480 -0.000 0.000 0.306 315 M C -0.796 175.480 176.300 -0.040 0.000 1.054 315 M CA -0.637 54.564 55.300 -0.166 0.000 0.922 315 M CB 2.193 34.697 32.600 -0.160 0.000 1.632 315 M HN 0.403 nan 8.290 nan 0.000 0.436 316 I N 4.583 125.281 120.570 0.213 0.000 2.330 316 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 316 I C -0.855 175.520 176.117 0.431 0.000 1.025 316 I CA -0.248 61.287 61.300 0.392 0.000 1.197 316 I CB 0.661 38.919 38.000 0.429 0.000 1.358 316 I HN 0.584 nan 8.210 nan 0.000 0.467 317 I N 5.440 126.213 120.570 0.337 0.000 2.355 317 I HA 0.303 4.473 4.170 -0.000 0.000 0.288 317 I C 0.021 176.307 176.117 0.281 0.000 0.999 317 I CA -0.414 61.058 61.300 0.287 0.000 1.163 317 I CB 1.107 39.197 38.000 0.150 0.000 1.316 317 I HN 0.466 nan 8.210 nan 0.000 0.454 318 D N 4.169 124.746 120.400 0.294 0.000 2.387 318 D HA 0.638 5.278 4.640 -0.000 0.000 0.251 318 D C 0.191 176.603 176.300 0.186 0.000 1.141 318 D CA 0.527 54.665 54.000 0.230 0.000 0.987 318 D CB 1.950 42.872 40.800 0.202 0.000 1.116 318 D HN 0.782 nan 8.370 nan 0.000 0.491 319 G N 1.020 109.906 108.800 0.144 0.000 2.650 319 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 319 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 319 G C 0.450 175.415 174.900 0.109 0.000 1.205 319 G CA 0.121 45.291 45.100 0.118 0.000 0.781 319 G HN 0.453 nan 8.290 nan 0.000 0.648 320 E N 0.171 120.429 120.200 0.097 0.000 2.208 320 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 320 E C 2.090 178.744 176.600 0.090 0.000 0.988 320 E CA 2.258 58.724 56.400 0.109 0.000 0.828 320 E CB 0.029 29.789 29.700 0.101 0.000 0.763 320 E HN 0.646 nan 8.360 nan 0.000 0.478 321 E N 0.332 120.576 120.200 0.074 0.000 2.216 321 E HA 0.142 4.492 4.350 -0.000 0.000 0.192 321 E C 0.376 176.999 176.600 0.037 0.000 0.988 321 E CA 0.774 57.206 56.400 0.053 0.000 0.834 321 E CB -0.206 29.524 29.700 0.051 0.000 0.772 321 E HN 0.272 nan 8.360 nan 0.000 0.479 322 A N 2.717 125.566 122.820 0.047 0.000 2.491 322 A HA 0.154 4.474 4.320 -0.000 0.000 0.261 322 A C -1.386 176.211 177.584 0.022 0.000 1.101 322 A CA -1.091 50.963 52.037 0.028 0.000 0.772 322 A CB 0.136 19.168 19.000 0.053 0.000 1.043 322 A HN -0.006 nan 8.150 nan 0.000 0.501 323 P HA -0.038 nan 4.420 nan 0.000 0.218 323 P C 0.208 177.532 177.300 0.040 0.000 1.149 323 P CA 0.980 64.079 63.100 -0.002 0.000 0.817 323 P CB 0.143 31.826 31.700 -0.028 0.000 0.785 324 V N 0.017 119.971 119.914 0.066 0.000 2.487 324 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 324 V C 1.014 177.215 176.094 0.177 0.000 1.028 324 V CA -0.208 62.181 62.300 0.148 0.000 0.860 324 V CB 1.484 33.417 31.823 0.183 0.000 0.991 324 V HN -0.037 nan 8.190 nan 0.000 0.427 325 A N 4.632 127.586 122.820 0.224 0.000 2.195 325 A HA 0.303 4.623 4.320 -0.000 0.000 0.210 325 A C 0.134 177.935 177.584 0.362 0.000 1.165 325 A CA 0.593 52.781 52.037 0.252 0.000 0.806 325 A CB 0.153 19.284 19.000 0.218 0.000 0.847 325 A HN 0.742 nan 8.150 nan 0.000 0.482 326 Y N 0.016 120.448 120.300 0.221 0.000 2.441 326 Y HA 0.468 5.018 4.550 0.000 0.000 0.334 326 Y C -0.232 175.763 175.900 0.158 0.000 1.061 326 Y CA -0.481 57.744 58.100 0.209 0.000 1.032 326 Y CB 1.587 40.209 38.460 0.270 0.000 1.266 326 Y HN 0.126 nan 8.280 nan 0.000 0.441 327 T N 3.638 117.966 114.554 -0.377 0.000 2.916 327 T HA 0.875 5.225 4.350 -0.000 0.000 0.292 327 T C -1.437 172.904 174.700 -0.598 0.000 1.064 327 T CA -0.855 61.011 62.100 -0.389 0.000 1.011 327 T CB 1.959 70.569 68.868 -0.431 0.000 1.152 327 T HN 0.595 nan 8.240 nan 0.000 0.510 328 L N 0.900 121.890 121.223 -0.389 0.000 2.434 328 L HA 0.446 4.786 4.340 -0.000 0.000 0.260 328 L C -0.637 176.074 176.870 -0.265 0.000 0.983 328 L CA -1.224 53.437 54.840 -0.299 0.000 0.820 328 L CB 2.307 44.285 42.059 -0.135 0.000 1.361 328 L HN 0.763 nan 8.230 nan 0.000 0.410 329 D N 1.236 121.501 120.400 -0.224 0.000 2.531 329 D HA -0.086 4.554 4.640 -0.000 0.000 0.239 329 D C -0.195 176.129 176.300 0.041 0.000 1.144 329 D CA 0.836 54.782 54.000 -0.090 0.000 0.869 329 D CB 1.090 41.946 40.800 0.094 0.000 1.160 329 D HN 0.555 nan 8.370 nan 0.000 0.484 330 D N 1.629 122.058 120.400 0.048 0.000 2.479 330 D HA 0.058 4.698 4.640 -0.000 0.000 0.218 330 D C -0.321 176.059 176.300 0.134 0.000 1.177 330 D CA -0.195 53.859 54.000 0.090 0.000 0.830 330 D CB 0.451 41.243 40.800 -0.012 0.000 1.014 330 D HN 0.206 nan 8.370 nan 0.000 0.503 331 T N 1.688 116.357 114.554 0.192 0.000 2.939 331 T HA -0.004 4.346 4.350 -0.000 0.000 0.319 331 T C 0.503 175.271 174.700 0.113 0.000 1.082 331 T CA 0.019 62.226 62.100 0.178 0.000 1.133 331 T CB 0.706 69.687 68.868 0.188 0.000 1.019 331 T HN -0.034 nan 8.240 nan 0.000 0.548 332 K N 3.472 123.891 120.400 0.032 0.000 2.276 332 K HA 0.097 4.417 4.320 -0.000 0.000 0.259 332 K C -1.593 174.871 176.600 -0.227 0.000 1.001 332 K CA -1.853 54.341 56.287 -0.155 0.000 0.927 332 K CB -0.091 32.348 32.500 -0.101 0.000 0.969 332 K HN 0.270 nan 8.250 nan 0.000 0.490 333 P HA -0.142 nan 4.420 nan 0.000 0.217 333 P C 0.434 177.664 177.300 -0.116 0.000 1.148 333 P CA 1.355 64.253 63.100 -0.336 0.000 0.828 333 P CB 0.252 31.715 31.700 -0.394 0.000 0.783 334 E N -1.452 118.696 120.200 -0.087 0.000 2.478 334 E HA 0.121 4.471 4.350 -0.000 0.000 0.198 334 E C 1.494 178.086 176.600 -0.013 0.000 1.046 334 E CA 0.923 57.308 56.400 -0.025 0.000 0.870 334 E CB -0.929 28.775 29.700 0.008 0.000 0.818 334 E HN 0.239 nan 8.360 nan 0.000 0.527 335 G N 0.951 109.744 108.800 -0.013 0.000 2.141 335 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 335 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 335 G C -0.009 174.889 174.900 -0.003 0.000 0.982 335 G CA 0.352 45.444 45.100 -0.013 0.000 0.662 335 G HN 0.385 nan 8.290 nan 0.000 0.527 336 N N -1.096 117.630 118.700 0.044 0.000 2.531 336 N HA 0.559 5.299 4.740 -0.000 0.000 0.290 336 N C 0.397 176.039 175.510 0.221 0.000 1.257 336 N CA -1.033 52.044 53.050 0.045 0.000 0.863 336 N CB 0.352 38.805 38.487 -0.057 0.000 1.320 336 N HN 0.624 nan 8.380 nan 0.000 0.538 337 Y N -2.372 117.961 120.300 0.055 0.000 3.234 337 Y HA -0.163 4.387 4.550 0.000 0.000 0.207 337 Y C 0.657 176.681 175.900 0.207 0.000 1.316 337 Y CA 0.278 58.471 58.100 0.154 0.000 1.309 337 Y CB -2.383 36.145 38.460 0.113 0.000 1.408 337 Y HN 0.805 nan 8.280 nan 0.000 0.544 338 A N 0.241 123.215 122.820 0.257 0.000 2.600 338 A HA 0.431 4.751 4.320 -0.000 0.000 0.244 338 A C 0.790 178.584 177.584 0.351 0.000 1.016 338 A CA 0.839 53.039 52.037 0.271 0.000 0.778 338 A CB -0.079 19.024 19.000 0.172 0.000 0.920 338 A HN 1.598 nan 8.150 nan 0.000 0.513 339 A N 2.987 125.998 122.820 0.318 0.000 2.589 339 A HA 0.618 4.938 4.320 -0.000 0.000 0.296 339 A C -0.815 176.752 177.584 -0.028 0.000 1.062 339 A CA -0.568 51.464 52.037 -0.009 0.000 0.686 339 A CB 0.981 19.655 19.000 -0.544 0.000 1.282 339 A HN 0.725 nan 8.150 nan 0.000 0.404 340 I N 3.001 123.463 120.570 -0.180 0.000 2.354 340 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 340 I C 0.038 176.006 176.117 -0.248 0.000 0.989 340 I CA -0.340 60.720 61.300 -0.399 0.000 1.188 340 I CB 1.545 39.144 38.000 -0.668 0.000 1.342 340 I HN 0.742 nan 8.210 nan 0.000 0.457 341 M N 5.536 125.002 119.600 -0.224 0.000 2.277 341 M HA 0.613 5.093 4.480 -0.000 0.000 0.350 341 M C -0.323 175.864 176.300 -0.187 0.000 1.180 341 M CA -0.144 55.055 55.300 -0.169 0.000 1.103 341 M CB 1.347 33.873 32.600 -0.124 0.000 1.577 341 M HN 0.696 nan 8.290 nan 0.000 0.459 342 G N 4.218 112.936 108.800 -0.135 0.000 2.682 342 G HA2 0.655 4.615 3.960 -0.000 0.000 0.300 342 G HA3 0.655 4.615 3.960 -0.000 0.000 0.300 342 G C -2.031 172.823 174.900 -0.076 0.000 1.391 342 G CA -0.523 44.560 45.100 -0.028 0.000 0.990 342 G HN 0.641 nan 8.290 nan 0.000 0.501 343 F N 0.779 120.878 119.950 0.249 0.000 2.436 343 F HA 0.523 5.050 4.527 -0.000 0.000 0.340 343 F C 0.545 176.453 175.800 0.181 0.000 1.113 343 F CA -0.685 57.456 58.000 0.236 0.000 1.022 343 F CB 2.166 41.329 39.000 0.271 0.000 1.128 343 F HN 0.095 nan 8.300 nan 0.000 0.466 344 I N 4.995 125.774 120.570 0.349 0.000 2.304 344 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 344 I C -0.727 175.483 176.117 0.156 0.000 1.018 344 I CA -0.258 61.161 61.300 0.199 0.000 1.260 344 I CB 0.827 38.912 38.000 0.141 0.000 1.390 344 I HN 0.378 nan 8.210 nan 0.000 0.475 345 L N 6.720 127.988 121.223 0.075 0.000 2.317 345 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 345 L C 0.826 177.651 176.870 -0.076 0.000 1.024 345 L CA -0.150 54.690 54.840 0.000 0.000 0.810 345 L CB 1.520 43.579 42.059 -0.000 0.000 1.240 345 L HN 0.920 nan 8.230 nan 0.000 0.427 346 A N 1.985 124.758 122.820 -0.079 0.000 5.369 346 A HA -0.343 3.977 4.320 -0.000 0.000 0.298 346 A C 1.515 179.077 177.584 -0.036 0.000 2.000 346 A CA 1.216 53.211 52.037 -0.070 0.000 0.716 346 A CB -1.543 17.418 19.000 -0.064 0.000 1.248 346 A HN 1.081 nan 8.150 nan 0.000 0.365 347 H N 1.136 120.194 119.070 -0.021 0.000 2.518 347 H HA 0.027 4.583 4.556 -0.000 0.000 0.289 347 H C 1.543 176.885 175.328 0.023 0.000 1.051 347 H CA 1.720 57.774 56.048 0.009 0.000 1.280 347 H CB -0.305 29.470 29.762 0.022 0.000 1.380 347 H HN 0.718 nan 8.280 nan 0.000 0.566 348 K N 0.528 120.589 120.400 -0.565 0.000 2.305 348 K HA 0.158 4.478 4.320 -0.000 0.000 0.199 348 K C 2.466 179.005 176.600 -0.102 0.000 1.047 348 K CA 0.633 56.713 56.287 -0.345 0.000 0.976 348 K CB 0.208 32.506 32.500 -0.338 0.000 0.765 348 K HN 0.290 nan 8.250 nan 0.000 0.474 349 A N 1.914 124.700 122.820 -0.056 0.000 1.930 349 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 349 A C 2.033 179.634 177.584 0.027 0.000 1.175 349 A CA 1.071 53.119 52.037 0.019 0.000 0.627 349 A CB -0.264 18.765 19.000 0.048 0.000 0.815 349 A HN 0.185 nan 8.150 nan 0.000 0.443 350 R N -0.366 120.149 120.500 0.024 0.000 2.073 350 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 350 R C 2.362 178.685 176.300 0.038 0.000 1.134 350 R CA 1.586 57.711 56.100 0.041 0.000 0.952 350 R CB -0.331 30.006 30.300 0.060 0.000 0.850 350 R HN 0.527 nan 8.270 nan 0.000 0.433 351 K N 1.186 121.608 120.400 0.037 0.000 1.985 351 K HA -0.079 4.241 4.320 -0.000 0.000 0.210 351 K C 2.015 178.631 176.600 0.026 0.000 1.047 351 K CA 1.245 57.556 56.287 0.040 0.000 0.932 351 K CB -0.070 32.462 32.500 0.053 0.000 0.716 351 K HN 0.090 nan 8.250 nan 0.000 0.439 352 L N 0.552 121.785 121.223 0.017 0.000 2.456 352 L HA -0.033 4.307 4.340 -0.000 0.000 0.224 352 L C 2.243 179.131 176.870 0.030 0.000 1.148 352 L CA 0.434 55.286 54.840 0.020 0.000 0.825 352 L CB -0.380 41.688 42.059 0.015 0.000 0.937 352 L HN 0.244 nan 8.230 nan 0.000 0.450 353 A N 0.171 123.010 122.820 0.033 0.000 2.121 353 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 353 A C 2.385 179.985 177.584 0.027 0.000 1.154 353 A CA 0.907 52.965 52.037 0.035 0.000 0.679 353 A CB -0.325 18.696 19.000 0.034 0.000 0.795 353 A HN 0.330 nan 8.150 nan 0.000 0.458 354 R N -0.505 120.009 120.500 0.023 0.000 2.090 354 R HA 0.092 4.432 4.340 -0.000 0.000 0.228 354 R C 0.439 176.749 176.300 0.017 0.000 1.110 354 R CA 0.267 56.378 56.100 0.019 0.000 0.973 354 R CB -0.514 29.796 30.300 0.018 0.000 0.869 354 R HN 0.456 nan 8.270 nan 0.000 0.440 355 L N 0.980 122.213 121.223 0.018 0.000 2.468 355 L HA 0.049 4.389 4.340 -0.000 0.000 0.253 355 L C 1.151 178.033 176.870 0.020 0.000 1.237 355 L CA -0.195 54.654 54.840 0.014 0.000 0.823 355 L CB 0.057 42.121 42.059 0.010 0.000 1.124 355 L HN 0.145 nan 8.230 nan 0.000 0.504 356 T N -2.850 111.714 114.554 0.016 0.000 2.849 356 T HA 0.127 4.477 4.350 -0.000 0.000 0.284 356 T C 0.911 175.634 174.700 0.038 0.000 1.004 356 T CA -0.669 61.446 62.100 0.023 0.000 1.021 356 T CB 1.295 70.173 68.868 0.016 0.000 1.013 356 T HN 0.676 nan 8.240 nan 0.000 0.527 357 K N 0.483 120.920 120.400 0.063 0.000 2.059 357 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 357 K C 1.916 178.557 176.600 0.068 0.000 1.050 357 K CA 2.264 58.626 56.287 0.125 0.000 0.927 357 K CB -0.243 32.335 32.500 0.129 0.000 0.714 357 K HN 0.717 nan 8.250 nan 0.000 0.447 358 E N 0.705 120.915 120.200 0.017 0.000 2.051 358 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 358 E C 1.859 178.415 176.600 -0.073 0.000 0.991 358 E CA 1.617 57.993 56.400 -0.039 0.000 0.799 358 E CB -0.090 29.599 29.700 -0.019 0.000 0.748 358 E HN 0.421 nan 8.360 nan 0.000 0.449 359 E N 0.282 120.457 120.200 -0.041 0.000 2.160 359 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 359 E C 2.115 178.671 176.600 -0.073 0.000 0.991 359 E CA 0.837 57.208 56.400 -0.047 0.000 0.810 359 E CB -0.050 29.636 29.700 -0.022 0.000 0.742 359 E HN 0.130 nan 8.360 nan 0.000 0.466 360 R N 0.114 120.574 120.500 -0.067 0.000 2.073 360 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 360 R C 2.401 178.550 176.300 -0.252 0.000 1.120 360 R CA 0.632 56.682 56.100 -0.083 0.000 0.967 360 R CB -0.349 29.972 30.300 0.035 0.000 0.862 360 R HN 0.113 nan 8.270 nan 0.000 0.436 361 L N 2.006 122.952 121.223 -0.462 0.000 1.997 361 L HA -0.273 4.067 4.340 -0.000 0.000 0.216 361 L C 2.190 178.845 176.870 -0.358 0.000 1.074 361 L CA 1.968 56.382 54.840 -0.710 0.000 0.763 361 L CB -0.567 41.085 42.059 -0.678 0.000 0.890 361 L HN 0.023 nan 8.230 nan 0.000 0.434 362 K N -0.546 119.721 120.400 -0.222 0.000 2.009 362 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 362 K C 2.164 178.679 176.600 -0.140 0.000 1.049 362 K CA 1.880 58.084 56.287 -0.139 0.000 0.929 362 K CB -0.177 32.269 32.500 -0.090 0.000 0.714 362 K HN 0.307 nan 8.250 nan 0.000 0.440 363 K N 0.116 120.433 120.400 -0.139 0.000 2.160 363 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 363 K C 2.066 178.541 176.600 -0.209 0.000 1.047 363 K CA 1.228 57.436 56.287 -0.132 0.000 0.930 363 K CB -0.115 32.326 32.500 -0.099 0.000 0.720 363 K HN 0.097 nan 8.250 nan 0.000 0.450 364 L N 0.498 121.549 121.223 -0.287 0.000 2.068 364 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 364 L C 2.423 178.919 176.870 -0.624 0.000 1.076 364 L CA 1.389 55.910 54.840 -0.532 0.000 0.753 364 L CB -0.712 41.076 42.059 -0.451 0.000 0.910 364 L HN 0.192 nan 8.230 nan 0.000 0.439 365 C N -0.575 118.564 119.300 -0.269 0.000 2.413 365 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 365 C C 2.657 177.626 174.990 -0.035 0.000 1.248 365 C CA 0.706 59.708 59.018 -0.028 0.000 1.742 365 C CB -0.801 26.970 27.740 0.053 0.000 2.017 365 C HN 0.539 nan 8.230 nan 0.000 0.481 366 E N 0.150 120.296 120.200 -0.090 0.000 2.072 366 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 366 E C 2.015 178.576 176.600 -0.066 0.000 0.985 366 E CA 0.906 57.273 56.400 -0.055 0.000 0.801 366 E CB -0.263 29.405 29.700 -0.054 0.000 0.750 366 E HN 0.482 nan 8.360 nan 0.000 0.452 367 L N 0.479 121.612 121.223 -0.151 0.000 1.990 367 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 367 L C 1.975 178.819 176.870 -0.042 0.000 1.072 367 L CA 1.846 56.593 54.840 -0.155 0.000 0.755 367 L CB -0.724 41.184 42.059 -0.253 0.000 0.889 367 L HN 0.259 nan 8.230 nan 0.000 0.432 368 Y N -0.907 119.383 120.300 -0.017 0.000 2.224 368 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 368 Y C 2.489 178.411 175.900 0.037 0.000 1.146 368 Y CA 0.364 58.461 58.100 -0.005 0.000 1.182 368 Y CB -0.556 37.938 38.460 0.058 0.000 0.983 368 Y HN 0.393 nan 8.280 nan 0.000 0.524 369 A N 0.593 123.533 122.820 0.199 0.000 1.858 369 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 369 A C 2.154 179.800 177.584 0.103 0.000 1.190 369 A CA 1.971 54.091 52.037 0.139 0.000 0.617 369 A CB -0.648 18.402 19.000 0.084 0.000 0.827 369 A HN 0.378 nan 8.150 nan 0.000 0.443 370 K N -0.493 119.946 120.400 0.064 0.000 2.009 370 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 370 K C 1.917 178.556 176.600 0.065 0.000 1.049 370 K CA 1.817 58.140 56.287 0.059 0.000 0.929 370 K CB -0.327 32.189 32.500 0.027 0.000 0.714 370 K HN 0.254 nan 8.250 nan 0.000 0.440 371 V N 1.493 121.394 119.914 -0.022 0.000 2.295 371 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 371 V C 2.120 178.215 176.094 0.003 0.000 1.049 371 V CA 1.591 63.858 62.300 -0.055 0.000 1.024 371 V CB -0.343 31.362 31.823 -0.196 0.000 0.648 371 V HN 0.315 nan 8.190 nan 0.000 0.447 372 L N 0.637 121.880 121.223 0.033 0.000 2.610 372 L HA 0.247 4.587 4.340 -0.000 0.000 0.232 372 L C 1.664 178.682 176.870 0.247 0.000 1.149 372 L CA 0.693 55.580 54.840 0.078 0.000 0.872 372 L CB -0.904 41.280 42.059 0.208 0.000 0.992 372 L HN 0.559 nan 8.230 nan 0.000 0.447 373 G N 0.754 109.659 108.800 0.175 0.000 2.356 373 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.296 373 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.296 373 G C -0.042 174.955 174.900 0.163 0.000 1.022 373 G CA 0.594 45.793 45.100 0.165 0.000 0.961 373 G HN 0.398 nan 8.290 nan 0.000 0.510 374 S N -0.820 114.976 115.700 0.161 0.000 2.672 374 S HA 0.508 4.978 4.470 -0.000 0.000 0.291 374 S C 1.240 175.832 174.600 -0.014 0.000 1.145 374 S CA -0.728 57.527 58.200 0.092 0.000 1.013 374 S CB 1.901 65.208 63.200 0.179 0.000 1.017 374 S HN 0.198 nan 8.310 nan 0.000 0.487 375 L N 1.765 122.955 121.223 -0.055 0.000 2.129 375 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 375 L C 2.441 179.208 176.870 -0.172 0.000 1.087 375 L CA 1.435 56.229 54.840 -0.077 0.000 0.757 375 L CB -0.469 41.555 42.059 -0.058 0.000 0.896 375 L HN 0.699 nan 8.230 nan 0.000 0.434 376 E N 0.097 120.065 120.200 -0.386 0.000 2.219 376 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 376 E C 2.210 178.455 176.600 -0.592 0.000 0.998 376 E CA 1.154 57.164 56.400 -0.650 0.000 0.818 376 E CB -0.150 28.777 29.700 -1.288 0.000 0.741 376 E HN 0.539 nan 8.360 nan 0.000 0.477 377 A N 0.323 122.879 122.820 -0.441 0.000 2.125 377 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 377 A C 1.827 179.588 177.584 0.295 0.000 1.156 377 A CA 0.781 52.862 52.037 0.074 0.000 0.671 377 A CB -0.305 18.865 19.000 0.285 0.000 0.794 377 A HN 0.186 nan 8.150 nan 0.000 0.459 378 L N -1.285 120.013 121.223 0.125 0.000 2.591 378 L HA 0.144 4.484 4.340 -0.000 0.000 0.228 378 L C 0.723 177.676 176.870 0.138 0.000 1.133 378 L CA 0.268 55.178 54.840 0.118 0.000 0.880 378 L CB -0.025 42.062 42.059 0.046 0.000 1.033 378 L HN 0.210 nan 8.230 nan 0.000 0.450 379 E N 0.861 121.193 120.200 0.220 0.000 3.269 379 E HA 0.182 4.532 4.350 -0.000 0.000 0.221 379 E C -2.240 174.528 176.600 0.280 0.000 1.113 379 E CA -1.774 54.740 56.400 0.190 0.000 1.385 379 E CB 0.569 30.331 29.700 0.103 0.000 1.345 379 E HN 0.080 nan 8.360 nan 0.000 0.435 380 P HA -0.049 nan 4.420 nan 0.000 0.271 380 P C 0.835 178.169 177.300 0.057 0.000 1.218 380 P CA 0.020 63.093 63.100 -0.045 0.000 0.780 380 P CB 1.648 33.287 31.700 -0.101 0.000 0.901 381 V N -1.278 118.687 119.914 0.086 0.000 3.307 381 V HA 0.260 4.380 4.120 -0.000 0.000 0.253 381 V C 0.596 176.817 176.094 0.211 0.000 1.149 381 V CA 0.928 63.315 62.300 0.145 0.000 1.112 381 V CB -1.141 30.772 31.823 0.150 0.000 0.777 381 V HN 0.666 nan 8.190 nan 0.000 0.464 382 H N -1.280 117.865 119.070 0.126 0.000 3.014 382 H HA 0.641 5.197 4.556 -0.000 0.000 0.337 382 H C -2.194 173.336 175.328 0.338 0.000 1.320 382 H CA -0.708 55.424 56.048 0.141 0.000 1.128 382 H CB 2.165 31.901 29.762 -0.043 0.000 1.862 382 H HN 0.171 nan 8.280 nan 0.000 0.536 383 Y N 1.484 121.529 120.300 -0.425 0.000 2.504 383 Y HA 0.502 5.052 4.550 -0.000 0.000 0.344 383 Y C -1.647 174.151 175.900 -0.169 0.000 1.023 383 Y CA -0.632 57.400 58.100 -0.113 0.000 1.020 383 Y CB 1.834 40.238 38.460 -0.093 0.000 1.282 383 Y HN 0.624 nan 8.280 nan 0.000 0.454 384 E N 4.357 124.272 120.200 -0.474 0.000 2.292 384 E HA 0.350 4.700 4.350 -0.000 0.000 0.272 384 E C -1.609 174.632 176.600 -0.598 0.000 0.881 384 E CA -0.797 55.370 56.400 -0.389 0.000 0.754 384 E CB 2.702 32.408 29.700 0.009 0.000 1.201 384 E HN 0.766 nan 8.360 nan 0.000 0.425 385 E N 0.916 120.873 120.200 -0.404 0.000 2.366 385 E HA 0.630 4.980 4.350 -0.000 0.000 0.278 385 E C -1.176 175.388 176.600 -0.059 0.000 0.923 385 E CA -1.042 55.222 56.400 -0.227 0.000 0.761 385 E CB 2.744 32.315 29.700 -0.215 0.000 1.231 385 E HN 0.139 nan 8.360 nan 0.000 0.443 386 K N 1.666 122.083 120.400 0.029 0.000 2.471 386 K HA 0.278 4.598 4.320 -0.000 0.000 0.252 386 K C -1.265 175.321 176.600 -0.023 0.000 0.938 386 K CA -0.846 55.400 56.287 -0.068 0.000 0.796 386 K CB 1.414 33.794 32.500 -0.200 0.000 1.161 386 K HN 0.522 nan 8.250 nan 0.000 0.425 387 N N 4.157 122.803 118.700 -0.090 0.000 2.469 387 N HA 0.057 4.797 4.740 -0.000 0.000 0.239 387 N C -0.054 175.402 175.510 -0.090 0.000 1.053 387 N CA -0.259 52.791 53.050 -0.000 0.000 0.937 387 N CB 0.260 38.755 38.487 0.014 0.000 1.163 387 N HN 0.626 nan 8.380 nan 0.000 0.509 388 W N 2.114 123.470 121.300 0.094 0.000 2.468 388 W HA -0.063 4.597 4.660 -0.000 0.000 0.262 388 W C 2.066 178.615 176.519 0.050 0.000 1.241 388 W CA 0.039 57.432 57.345 0.081 0.000 1.232 388 W CB -0.460 29.067 29.460 0.112 0.000 1.124 388 W HN 0.577 nan 8.180 nan 0.000 0.597 389 C N 0.511 119.926 119.300 0.191 0.000 2.419 389 C HA -0.181 4.279 4.460 -0.000 0.000 0.283 389 C C 2.177 177.199 174.990 0.054 0.000 1.373 389 C CA 1.448 60.533 59.018 0.112 0.000 1.781 389 C CB -1.596 26.192 27.740 0.081 0.000 1.886 389 C HN 0.506 nan 8.230 nan 0.000 0.520 390 E N 0.697 120.907 120.200 0.017 0.000 2.479 390 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 390 E C -0.079 176.497 176.600 -0.041 0.000 1.049 390 E CA 0.160 56.546 56.400 -0.023 0.000 0.870 390 E CB -0.163 29.511 29.700 -0.045 0.000 0.944 390 E HN 0.513 nan 8.360 nan 0.000 0.492 391 E N 2.323 122.516 120.200 -0.011 0.000 1.996 391 E HA -0.021 4.329 4.350 -0.000 0.000 0.280 391 E C 0.524 177.106 176.600 -0.030 0.000 1.092 391 E CA -0.016 56.381 56.400 -0.004 0.000 0.862 391 E CB 1.398 31.153 29.700 0.093 0.000 1.066 391 E HN 0.349 nan 8.360 nan 0.000 0.396 392 Q N 2.810 122.525 119.800 -0.141 0.000 2.173 392 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 392 Q C 0.308 176.053 176.000 -0.425 0.000 0.989 392 Q CA 1.766 57.368 55.803 -0.335 0.000 0.872 392 Q CB 0.054 28.480 28.738 -0.520 0.000 0.909 392 Q HN 0.591 nan 8.270 nan 0.000 0.420 393 Y N -1.060 119.270 120.300 0.050 0.000 2.571 393 Y HA 0.268 4.818 4.550 -0.000 0.000 0.275 393 Y C 1.414 177.377 175.900 0.106 0.000 1.179 393 Y CA -0.271 57.868 58.100 0.065 0.000 1.242 393 Y CB 0.887 39.376 38.460 0.048 0.000 1.126 393 Y HN 0.064 nan 8.280 nan 0.000 0.524 394 S N -1.684 114.142 115.700 0.209 0.000 2.931 394 S HA 0.306 4.776 4.470 -0.000 0.000 0.251 394 S C 1.857 176.543 174.600 0.144 0.000 1.078 394 S CA 0.530 58.863 58.200 0.221 0.000 0.835 394 S CB 0.641 64.059 63.200 0.363 0.000 0.798 394 S HN 0.531 nan 8.310 nan 0.000 0.495 395 G N 1.042 109.906 108.800 0.107 0.000 2.253 395 G HA2 0.059 4.019 3.960 -0.000 0.000 0.251 395 G HA3 0.059 4.019 3.960 -0.000 0.000 0.251 395 G C 0.480 175.429 174.900 0.081 0.000 0.998 395 G CA 0.081 45.214 45.100 0.054 0.000 0.621 395 G HN 1.385 nan 8.290 nan 0.000 0.524 396 G N -2.317 106.572 108.800 0.148 0.000 2.345 396 G HA2 0.534 4.494 3.960 -0.000 0.000 0.285 396 G HA3 0.534 4.494 3.960 -0.000 0.000 0.285 396 G C -1.080 173.916 174.900 0.160 0.000 1.297 396 G CA 0.363 45.563 45.100 0.165 0.000 0.875 396 G HN 1.457 nan 8.290 nan 0.000 0.506 397 C N -1.684 117.671 119.300 0.091 0.000 3.311 397 C HA 0.598 5.058 4.460 -0.000 0.000 0.325 397 C C 0.836 175.734 174.990 -0.152 0.000 1.352 397 C CA -0.641 58.375 59.018 -0.004 0.000 1.308 397 C CB 0.735 28.396 27.740 -0.132 0.000 1.619 397 C HN 0.722 nan 8.230 nan 0.000 0.469 398 Y N 0.646 120.895 120.300 -0.084 0.000 2.263 398 Y HA 0.187 4.737 4.550 -0.000 0.000 0.292 398 Y C 1.660 177.539 175.900 -0.036 0.000 1.130 398 Y CA 1.472 59.493 58.100 -0.132 0.000 1.179 398 Y CB -0.554 37.798 38.460 -0.180 0.000 0.998 398 Y HN 0.710 nan 8.280 nan 0.000 0.532 399 T N -2.105 112.550 114.554 0.169 0.000 2.618 399 T HA 0.358 4.708 4.350 -0.000 0.000 0.293 399 T C -0.751 174.058 174.700 0.180 0.000 1.093 399 T CA -0.659 61.570 62.100 0.215 0.000 1.061 399 T CB 1.026 70.112 68.868 0.362 0.000 1.498 399 T HN -0.147 nan 8.240 nan 0.000 0.494 400 T N 2.366 117.047 114.554 0.212 0.000 2.794 400 T HA 0.516 4.866 4.350 -0.000 0.000 0.296 400 T C -0.983 173.760 174.700 0.072 0.000 0.949 400 T CA -0.018 62.119 62.100 0.061 0.000 1.101 400 T CB -0.383 68.517 68.868 0.053 0.000 0.905 400 T HN 0.465 nan 8.240 nan 0.000 0.516 401 Y N 1.254 121.352 120.300 -0.337 0.000 2.487 401 Y HA 0.789 5.339 4.550 0.000 0.000 0.337 401 Y C -1.318 174.036 175.900 -0.910 0.000 1.076 401 Y CA -2.169 55.376 58.100 -0.925 0.000 1.115 401 Y CB 0.741 38.791 38.460 -0.683 0.000 1.235 401 Y HN 0.396 nan 8.280 nan 0.000 0.468 402 F N 3.838 122.995 119.950 -1.322 0.000 2.388 402 F HA 0.559 5.086 4.527 -0.000 0.000 0.358 402 F C -2.256 173.414 175.800 -0.216 0.000 1.122 402 F CA -2.732 54.870 58.000 -0.662 0.000 1.056 402 F CB 1.418 40.078 39.000 -0.565 0.000 1.155 402 F HN 0.382 nan 8.300 nan 0.000 0.461 403 P HA 0.087 nan 4.420 nan 0.000 0.271 403 P C -2.519 174.873 177.300 0.152 0.000 1.244 403 P CA -1.055 62.112 63.100 0.112 0.000 0.793 403 P CB -0.171 31.544 31.700 0.024 0.000 0.984 404 P HA -0.063 nan 4.420 nan 0.000 0.262 404 P C 0.886 178.271 177.300 0.143 0.000 1.182 404 P CA 1.358 64.554 63.100 0.160 0.000 0.761 404 P CB -0.134 31.643 31.700 0.129 0.000 0.795 405 G N 2.906 111.807 108.800 0.167 0.000 2.199 405 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 405 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 405 G C 0.770 175.782 174.900 0.187 0.000 0.982 405 G CA 0.078 45.269 45.100 0.150 0.000 0.632 405 G HN 0.429 nan 8.290 nan 0.000 0.529 406 I N 0.039 120.743 120.570 0.223 0.000 2.339 406 I HA 0.159 4.329 4.170 -0.000 0.000 0.245 406 I C 2.627 178.972 176.117 0.379 0.000 1.096 406 I CA 1.162 62.639 61.300 0.296 0.000 1.408 406 I CB -1.239 36.853 38.000 0.154 0.000 1.092 406 I HN 0.257 nan 8.210 nan 0.000 0.423 407 L N 1.144 122.589 121.223 0.370 0.000 2.079 407 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 407 L C 2.571 179.542 176.870 0.168 0.000 1.081 407 L CA 2.536 57.500 54.840 0.206 0.000 0.752 407 L CB -1.013 41.086 42.059 0.066 0.000 0.896 407 L HN 0.445 nan 8.230 nan 0.000 0.433 408 T N -4.714 109.940 114.554 0.167 0.000 2.942 408 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 408 T C 1.781 176.454 174.700 -0.045 0.000 1.062 408 T CA 0.621 62.787 62.100 0.110 0.000 1.139 408 T CB -0.226 68.710 68.868 0.114 0.000 0.883 408 T HN 0.314 nan 8.240 nan 0.000 0.468 409 Q N -0.005 119.773 119.800 -0.037 0.000 2.163 409 Q HA 0.131 4.471 4.340 -0.000 0.000 0.198 409 Q C 1.062 176.763 176.000 -0.499 0.000 0.954 409 Q CA 1.204 56.845 55.803 -0.270 0.000 0.851 409 Q CB -0.033 28.558 28.738 -0.244 0.000 0.928 409 Q HN 0.752 nan 8.270 nan 0.000 0.459 410 Y N -1.547 118.682 120.300 -0.118 0.000 2.432 410 Y HA 0.274 4.824 4.550 -0.000 0.000 0.252 410 Y C 2.017 177.780 175.900 -0.228 0.000 1.097 410 Y CA 0.084 58.093 58.100 -0.152 0.000 1.250 410 Y CB 0.077 38.488 38.460 -0.081 0.000 1.245 410 Y HN 0.083 nan 8.280 nan 0.000 0.522 411 G N 1.830 110.530 108.800 -0.168 0.000 2.469 411 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 411 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 411 G C 1.718 176.085 174.900 -0.889 0.000 1.150 411 G CA 1.322 46.201 45.100 -0.369 0.000 0.763 411 G HN 0.455 nan 8.290 nan 0.000 0.561 412 R N 0.013 119.677 120.500 -1.393 0.000 2.303 412 R HA 0.061 4.401 4.340 -0.000 0.000 0.225 412 R C 1.721 177.776 176.300 -0.408 0.000 1.114 412 R CA 1.140 56.561 56.100 -1.132 0.000 1.007 412 R CB -0.536 29.185 30.300 -0.965 0.000 0.861 412 R HN 0.294 nan 8.270 nan 0.000 0.471 413 V N 1.155 120.887 119.914 -0.304 0.000 3.354 413 V HA -0.005 4.115 4.120 -0.000 0.000 0.258 413 V C 2.154 178.143 176.094 -0.174 0.000 1.159 413 V CA 0.492 62.681 62.300 -0.185 0.000 1.125 413 V CB -0.073 31.665 31.823 -0.142 0.000 0.774 413 V HN 0.234 nan 8.190 nan 0.000 0.464 414 L N 0.748 121.904 121.223 -0.112 0.000 2.042 414 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 414 L C 2.289 179.082 176.870 -0.127 0.000 1.076 414 L CA 2.010 56.794 54.840 -0.094 0.000 0.749 414 L CB -0.231 41.881 42.059 0.087 0.000 0.893 414 L HN 0.439 nan 8.230 nan 0.000 0.432 415 R N -0.645 119.885 120.500 0.049 0.000 2.596 415 R HA 0.150 4.490 4.340 -0.000 0.000 0.369 415 R C 0.426 176.859 176.300 0.222 0.000 1.042 415 R CA -0.276 55.948 56.100 0.206 0.000 1.120 415 R CB -0.077 30.410 30.300 0.311 0.000 1.353 415 R HN 0.149 nan 8.270 nan 0.000 0.564 416 Q N 2.859 122.714 119.800 0.092 0.000 2.263 416 Q HA 0.181 4.521 4.340 -0.000 0.000 0.270 416 Q C -2.046 174.038 176.000 0.139 0.000 1.104 416 Q CA -1.976 53.877 55.803 0.084 0.000 0.909 416 Q CB 0.753 29.489 28.738 -0.004 0.000 1.214 416 Q HN 0.056 nan 8.270 nan 0.000 0.400 417 P HA -0.075 nan 4.420 nan 0.000 0.266 417 P C -1.249 176.027 177.300 -0.040 0.000 1.195 417 P CA 0.023 63.048 63.100 -0.125 0.000 0.768 417 P CB 0.642 32.009 31.700 -0.556 0.000 0.838 418 V N 3.483 123.396 119.914 -0.002 0.000 2.275 418 V HA 0.137 4.257 4.120 -0.000 0.000 0.272 418 V C 0.764 176.818 176.094 -0.066 0.000 1.028 418 V CA 0.184 62.482 62.300 -0.004 0.000 0.810 418 V CB -0.026 31.831 31.823 0.055 0.000 1.043 418 V HN 0.784 nan 8.190 nan 0.000 0.453 419 D N 4.143 124.507 120.400 -0.061 0.000 4.508 419 D HA -0.309 4.331 4.640 -0.000 0.000 0.178 419 D C 1.383 177.671 176.300 -0.020 0.000 0.644 419 D CA 2.539 56.524 54.000 -0.026 0.000 1.244 419 D CB -0.345 40.453 40.800 -0.002 0.000 0.727 419 D HN 0.561 nan 8.370 nan 0.000 0.495 420 R N -0.251 120.264 120.500 0.024 0.000 2.508 420 R HA 0.444 4.784 4.340 -0.000 0.000 0.300 420 R C -0.196 176.228 176.300 0.207 0.000 0.970 420 R CA -0.160 56.062 56.100 0.203 0.000 1.102 420 R CB 0.612 30.963 30.300 0.085 0.000 1.246 420 R HN 0.301 nan 8.270 nan 0.000 0.539 421 I N 1.380 121.920 120.570 -0.051 0.000 2.325 421 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 421 I C -0.565 175.255 176.117 -0.495 0.000 1.019 421 I CA -0.438 60.752 61.300 -0.184 0.000 1.302 421 I CB 0.502 38.367 38.000 -0.224 0.000 1.401 421 I HN -0.092 nan 8.210 nan 0.000 0.485 422 Y N 5.320 125.402 120.300 -0.363 0.000 2.509 422 Y HA 0.541 5.091 4.550 -0.000 0.000 0.341 422 Y C -0.512 175.093 175.900 -0.493 0.000 1.038 422 Y CA -0.648 57.285 58.100 -0.279 0.000 1.089 422 Y CB 1.766 40.161 38.460 -0.109 0.000 1.241 422 Y HN 0.286 nan 8.280 nan 0.000 0.468 423 F N 1.373 121.435 119.950 0.187 0.000 2.449 423 F HA 0.720 5.247 4.527 -0.000 0.000 0.342 423 F C 0.415 176.296 175.800 0.135 0.000 1.127 423 F CA -0.555 57.530 58.000 0.141 0.000 0.975 423 F CB 1.185 40.252 39.000 0.112 0.000 1.146 423 F HN 0.593 nan 8.300 nan 0.000 0.444 424 A N 2.180 125.146 122.820 0.245 0.000 3.687 424 A HA 0.950 5.270 4.320 -0.000 0.000 0.164 424 A C 0.356 178.077 177.584 0.228 0.000 1.564 424 A CA -0.431 51.723 52.037 0.195 0.000 0.896 424 A CB -0.072 18.998 19.000 0.116 0.000 1.731 424 A HN 1.528 nan 8.150 nan 0.000 0.607 425 G N -2.371 106.541 108.800 0.188 0.000 2.777 425 G HA2 0.077 4.037 3.960 -0.000 0.000 0.686 425 G HA3 0.077 4.037 3.960 -0.000 0.000 0.686 425 G C 0.449 175.486 174.900 0.229 0.000 1.177 425 G CA 0.658 45.877 45.100 0.198 0.000 0.775 425 G HN 1.621 nan 8.290 nan 0.000 0.613 426 T N 0.331 115.021 114.554 0.227 0.000 2.849 426 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 426 T C 2.135 177.044 174.700 0.349 0.000 1.066 426 T CA 2.655 64.917 62.100 0.270 0.000 1.130 426 T CB -0.190 68.834 68.868 0.259 0.000 0.864 426 T HN 0.637 nan 8.240 nan 0.000 0.481 427 E N 0.624 121.037 120.200 0.354 0.000 2.209 427 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 427 E C 2.316 179.182 176.600 0.443 0.000 0.993 427 E CA 1.666 58.329 56.400 0.439 0.000 0.819 427 E CB -0.353 29.575 29.700 0.380 0.000 0.745 427 E HN 0.738 nan 8.360 nan 0.000 0.477 428 T N -2.482 112.293 114.554 0.368 0.000 3.107 428 T HA 0.413 4.763 4.350 -0.000 0.000 0.249 428 T C 0.886 175.827 174.700 0.402 0.000 1.096 428 T CA 0.076 62.394 62.100 0.362 0.000 1.012 428 T CB 0.051 69.111 68.868 0.320 0.000 0.977 428 T HN 0.116 nan 8.240 nan 0.000 0.527 429 A N 1.734 124.791 122.820 0.396 0.000 2.429 429 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 429 A C 1.577 179.424 177.584 0.440 0.000 1.088 429 A CA 0.285 52.559 52.037 0.395 0.000 0.784 429 A CB 0.174 19.372 19.000 0.329 0.000 1.038 429 A HN 0.561 nan 8.150 nan 0.000 0.501 430 T N -2.537 112.257 114.554 0.399 0.000 3.010 430 T HA 0.211 4.561 4.350 -0.000 0.000 0.257 430 T C 0.287 175.106 174.700 0.198 0.000 1.020 430 T CA 0.682 62.969 62.100 0.312 0.000 0.938 430 T CB -0.297 68.688 68.868 0.195 0.000 1.049 430 T HN 0.737 nan 8.240 nan 0.000 0.522 431 H N -0.987 118.125 119.070 0.071 0.000 3.013 431 H HA 0.269 4.825 4.556 -0.000 0.000 0.326 431 H C -0.977 174.389 175.328 0.063 0.000 0.973 431 H CA -0.946 55.073 56.048 -0.049 0.000 1.369 431 H CB 0.681 30.471 29.762 0.047 0.000 1.598 431 H HN 0.365 nan 8.280 nan 0.000 0.518 432 W N 1.944 122.976 121.300 -0.447 0.000 3.750 432 W HA -0.255 4.405 4.660 -0.000 0.000 0.329 432 W C 0.577 177.012 176.519 -0.141 0.000 1.247 432 W CA 0.874 57.916 57.345 -0.506 0.000 0.698 432 W CB -1.674 27.445 29.460 -0.568 0.000 2.324 432 W HN 0.436 nan 8.180 nan 0.000 1.357 433 S N 0.606 116.348 115.700 0.071 0.000 2.573 433 S HA 0.330 4.800 4.470 -0.000 0.000 0.297 433 S C 1.425 176.242 174.600 0.361 0.000 1.280 433 S CA 1.999 60.355 58.200 0.260 0.000 1.061 433 S CB 0.635 64.075 63.200 0.400 0.000 0.812 433 S HN 1.499 nan 8.310 nan 0.000 0.500 434 G N 2.946 112.044 108.800 0.498 0.000 2.194 434 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.236 434 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.236 434 G C -0.204 174.877 174.900 0.303 0.000 0.987 434 G CA 0.347 45.764 45.100 0.529 0.000 0.635 434 G HN 0.702 nan 8.290 nan 0.000 0.520 435 Y N -0.626 119.794 120.300 0.200 0.000 2.602 435 Y HA 0.712 5.262 4.550 -0.000 0.000 0.330 435 Y C 1.933 177.876 175.900 0.072 0.000 1.114 435 Y CA -0.788 57.377 58.100 0.108 0.000 1.182 435 Y CB 0.890 39.398 38.460 0.081 0.000 1.305 435 Y HN -0.029 nan 8.280 nan 0.000 0.502 436 M N -0.022 119.682 119.600 0.174 0.000 2.144 436 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 436 M C 1.852 178.216 176.300 0.107 0.000 1.067 436 M CA 1.964 57.335 55.300 0.118 0.000 1.095 436 M CB -0.198 32.462 32.600 0.100 0.000 1.365 436 M HN 0.796 nan 8.290 nan 0.000 0.406 437 E N 0.555 120.796 120.200 0.068 0.000 2.049 437 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 437 E C 1.953 178.628 176.600 0.126 0.000 1.007 437 E CA 2.089 58.502 56.400 0.021 0.000 0.809 437 E CB -0.677 28.904 29.700 -0.198 0.000 0.749 437 E HN 0.436 nan 8.360 nan 0.000 0.450 438 G N -0.180 108.744 108.800 0.206 0.000 2.443 438 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 438 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 438 G C 1.668 176.692 174.900 0.207 0.000 1.131 438 G CA 0.879 46.121 45.100 0.238 0.000 0.775 438 G HN 0.459 nan 8.290 nan 0.000 0.547 439 A N 0.143 123.072 122.820 0.181 0.000 1.933 439 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 439 A C 2.546 180.200 177.584 0.116 0.000 1.175 439 A CA 1.747 53.874 52.037 0.149 0.000 0.628 439 A CB -0.424 18.652 19.000 0.126 0.000 0.814 439 A HN 0.246 nan 8.150 nan 0.000 0.444 440 V N -0.307 119.669 119.914 0.104 0.000 2.407 440 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 440 V C 2.496 178.636 176.094 0.078 0.000 1.041 440 V CA 1.874 64.219 62.300 0.075 0.000 1.040 440 V CB -0.499 31.362 31.823 0.064 0.000 0.671 440 V HN 0.677 nan 8.190 nan 0.000 0.455 441 E N 0.651 120.919 120.200 0.114 0.000 2.023 441 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 441 E C 2.286 178.938 176.600 0.086 0.000 1.003 441 E CA 1.728 58.204 56.400 0.127 0.000 0.809 441 E CB -0.181 29.645 29.700 0.209 0.000 0.755 441 E HN 0.506 nan 8.360 nan 0.000 0.449 442 A N 0.780 123.675 122.820 0.126 0.000 1.908 442 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 442 A C 2.418 180.030 177.584 0.046 0.000 1.181 442 A CA 2.027 54.128 52.037 0.106 0.000 0.627 442 A CB -1.169 17.939 19.000 0.180 0.000 0.818 442 A HN 0.457 nan 8.150 nan 0.000 0.445 443 G N -0.532 108.300 108.800 0.054 0.000 2.421 443 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 443 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 443 G C 1.436 176.325 174.900 -0.017 0.000 1.171 443 G CA 0.964 46.080 45.100 0.027 0.000 0.775 443 G HN 0.651 nan 8.290 nan 0.000 0.543 444 E N -0.273 119.913 120.200 -0.023 0.000 2.150 444 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 444 E C 2.511 179.040 176.600 -0.118 0.000 0.985 444 E CA 0.308 56.677 56.400 -0.052 0.000 0.814 444 E CB -0.053 29.632 29.700 -0.025 0.000 0.752 444 E HN 0.321 nan 8.360 nan 0.000 0.466 445 R N 0.996 121.394 120.500 -0.170 0.000 2.093 445 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 445 R C 2.140 178.268 176.300 -0.287 0.000 1.101 445 R CA 1.137 57.031 56.100 -0.344 0.000 0.979 445 R CB -0.138 29.789 30.300 -0.622 0.000 0.877 445 R HN 0.115 nan 8.270 nan 0.000 0.441 446 A N 1.247 123.970 122.820 -0.161 0.000 1.877 446 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 446 A C 2.423 179.897 177.584 -0.183 0.000 1.186 446 A CA 1.791 53.769 52.037 -0.100 0.000 0.620 446 A CB -0.794 18.209 19.000 0.004 0.000 0.822 446 A HN 0.516 nan 8.150 nan 0.000 0.443 447 A N -0.326 122.404 122.820 -0.149 0.000 1.883 447 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 447 A C 2.259 179.721 177.584 -0.204 0.000 1.186 447 A CA 1.674 53.615 52.037 -0.160 0.000 0.624 447 A CB -0.501 18.441 19.000 -0.097 0.000 0.822 447 A HN 0.538 nan 8.150 nan 0.000 0.444 448 R N -0.657 119.730 120.500 -0.189 0.000 2.148 448 R HA -0.091 4.249 4.340 -0.000 0.000 0.227 448 R C 2.048 178.223 176.300 -0.208 0.000 1.103 448 R CA 1.256 57.249 56.100 -0.178 0.000 0.983 448 R CB -0.236 29.966 30.300 -0.162 0.000 0.874 448 R HN 0.690 nan 8.270 nan 0.000 0.451 449 E N 0.459 120.495 120.200 -0.273 0.000 2.110 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 449 E C 1.880 178.193 176.600 -0.478 0.000 0.988 449 E CA 1.045 57.274 56.400 -0.286 0.000 0.804 449 E CB 0.002 29.552 29.700 -0.249 0.000 0.745 449 E HN 0.335 nan 8.360 nan 0.000 0.458 450 I N 0.629 120.797 120.570 -0.670 0.000 2.333 450 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 450 I C 2.207 178.004 176.117 -0.533 0.000 1.106 450 I CA 0.635 61.416 61.300 -0.866 0.000 1.411 450 I CB -0.057 37.439 38.000 -0.839 0.000 1.082 450 I HN 0.115 nan 8.210 nan 0.000 0.420 451 L N 0.068 121.103 121.223 -0.313 0.000 2.079 451 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 451 L C 2.683 179.476 176.870 -0.128 0.000 1.081 451 L CA 1.650 56.381 54.840 -0.181 0.000 0.752 451 L CB -0.855 41.134 42.059 -0.116 0.000 0.896 451 L HN 0.380 nan 8.230 nan 0.000 0.433 452 H N -0.096 118.858 119.070 -0.193 0.000 2.326 452 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 452 H C 2.161 177.424 175.328 -0.109 0.000 1.081 452 H CA 1.534 57.510 56.048 -0.120 0.000 1.334 452 H CB 0.018 29.727 29.762 -0.088 0.000 1.385 452 H HN 0.245 nan 8.280 nan 0.000 0.504 453 A N 0.730 123.399 122.820 -0.251 0.000 1.948 453 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 453 A C 2.368 179.858 177.584 -0.156 0.000 1.177 453 A CA 2.007 53.919 52.037 -0.209 0.000 0.636 453 A CB -0.770 18.108 19.000 -0.204 0.000 0.815 453 A HN 0.586 nan 8.150 nan 0.000 0.449 454 M N -1.212 118.279 119.600 -0.182 0.000 2.686 454 M HA 0.101 4.581 4.480 -0.000 0.000 0.246 454 M C 1.306 177.561 176.300 -0.076 0.000 1.096 454 M CA 0.779 56.044 55.300 -0.059 0.000 1.076 454 M CB -0.061 32.510 32.600 -0.050 0.000 1.504 454 M HN 0.665 nan 8.290 nan 0.000 0.524 455 G N 1.063 109.773 108.800 -0.150 0.000 2.176 455 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 455 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 455 G C 0.767 175.627 174.900 -0.066 0.000 1.024 455 G CA 0.320 45.345 45.100 -0.125 0.000 0.755 455 G HN 0.469 nan 8.290 nan 0.000 0.507 456 K N -0.639 119.725 120.400 -0.060 0.000 2.379 456 K HA 0.330 4.650 4.320 -0.000 0.000 0.194 456 K C 1.159 177.751 176.600 -0.012 0.000 1.031 456 K CA 1.200 57.467 56.287 -0.034 0.000 1.037 456 K CB 0.472 32.947 32.500 -0.041 0.000 0.824 456 K HN 0.875 nan 8.250 nan 0.000 0.516 457 I N -2.206 118.370 120.570 0.010 0.000 2.918 457 I HA 0.385 4.555 4.170 -0.000 0.000 0.301 457 I C -3.073 173.123 176.117 0.131 0.000 1.312 457 I CA -2.689 58.639 61.300 0.046 0.000 1.007 457 I CB 2.447 40.462 38.000 0.027 0.000 1.281 457 I HN -0.259 nan 8.210 nan 0.000 0.440 458 P HA 0.070 nan 4.420 nan 0.000 0.272 458 P C 0.299 177.670 177.300 0.119 0.000 1.223 458 P CA 0.031 63.220 63.100 0.148 0.000 0.784 458 P CB 1.090 32.835 31.700 0.075 0.000 0.923 459 E N 1.619 121.839 120.200 0.033 0.000 2.114 459 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 459 E C 1.076 177.615 176.600 -0.103 0.000 1.008 459 E CA 1.817 58.038 56.400 -0.300 0.000 0.810 459 E CB -0.263 29.300 29.700 -0.228 0.000 0.739 459 E HN 0.558 nan 8.360 nan 0.000 0.456 460 D N -0.243 120.151 120.400 -0.010 0.000 2.392 460 D HA -0.148 4.492 4.640 -0.000 0.000 0.228 460 D C 0.996 177.322 176.300 0.042 0.000 1.003 460 D CA 0.570 54.587 54.000 0.029 0.000 0.917 460 D CB -0.166 40.652 40.800 0.031 0.000 0.890 460 D HN 0.263 nan 8.370 nan 0.000 0.532 461 E N -0.568 119.644 120.200 0.020 0.000 2.481 461 E HA 0.193 4.543 4.350 -0.000 0.000 0.198 461 E C 1.918 178.512 176.600 -0.010 0.000 1.027 461 E CA -0.274 56.137 56.400 0.019 0.000 0.900 461 E CB 0.351 30.061 29.700 0.016 0.000 0.993 461 E HN 0.287 nan 8.360 nan 0.000 0.482 462 I N -0.099 120.449 120.570 -0.037 0.000 2.163 462 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 462 I C 0.357 176.324 176.117 -0.251 0.000 1.081 462 I CA 1.021 62.225 61.300 -0.159 0.000 1.353 462 I CB 0.035 37.922 38.000 -0.188 0.000 1.054 462 I HN 0.098 nan 8.210 nan 0.000 0.407 463 W N 1.906 123.203 121.300 -0.006 0.000 2.316 463 W HA 0.472 5.132 4.660 -0.000 0.000 0.308 463 W C 0.150 176.672 176.519 0.005 0.000 1.106 463 W CA -0.225 57.127 57.345 0.010 0.000 1.262 463 W CB 0.465 29.932 29.460 0.012 0.000 1.233 463 W HN -0.007 nan 8.180 nan 0.000 0.447 464 Q N 2.822 122.728 119.800 0.177 0.000 2.330 464 Q HA 0.436 4.776 4.340 -0.000 0.000 0.269 464 Q C 0.018 176.086 176.000 0.113 0.000 1.022 464 Q CA -0.567 55.301 55.803 0.110 0.000 0.796 464 Q CB 1.591 30.361 28.738 0.053 0.000 1.271 464 Q HN 0.520 nan 8.270 nan 0.000 0.450 465 S N 2.423 118.175 115.700 0.086 0.000 2.603 465 S HA 0.309 4.779 4.470 -0.000 0.000 0.268 465 S C -0.205 174.430 174.600 0.058 0.000 1.317 465 S CA -0.642 57.598 58.200 0.067 0.000 1.012 465 S CB 1.411 64.635 63.200 0.039 0.000 0.926 465 S HN 0.679 nan 8.310 nan 0.000 0.539 466 E N 1.601 121.837 120.200 0.060 0.000 2.158 466 E HA 0.541 4.891 4.350 -0.000 0.000 0.271 466 E C -2.508 174.119 176.600 0.045 0.000 0.911 466 E CA -2.185 54.249 56.400 0.057 0.000 0.767 466 E CB 0.763 30.509 29.700 0.078 0.000 1.120 466 E HN 0.577 nan 8.360 nan 0.000 0.405 467 P HA 0.070 nan 4.420 nan 0.000 0.271 467 P C -0.614 176.705 177.300 0.031 0.000 1.216 467 P CA -0.199 62.918 63.100 0.028 0.000 0.776 467 P CB 0.583 32.297 31.700 0.023 0.000 0.881 468 E N 1.678 121.895 120.200 0.028 0.000 2.376 468 E HA 0.079 4.429 4.350 -0.000 0.000 0.266 468 E C -0.064 176.550 176.600 0.023 0.000 1.009 468 E CA -0.331 56.087 56.400 0.029 0.000 0.902 468 E CB 0.411 30.126 29.700 0.025 0.000 0.972 468 E HN 0.395 nan 8.360 nan 0.000 0.439 469 S N 2.806 118.519 115.700 0.021 0.000 2.573 469 S HA -0.080 4.390 4.470 -0.000 0.000 0.297 469 S C 1.150 175.759 174.600 0.014 0.000 1.280 469 S CA 0.056 58.266 58.200 0.017 0.000 1.061 469 S CB 0.733 63.938 63.200 0.009 0.000 0.812 469 S HN 0.551 nan 8.310 nan 0.000 0.500 470 V N 1.814 121.737 119.914 0.015 0.000 3.052 470 V HA 0.097 4.217 4.120 -0.000 0.000 0.254 470 V C 1.405 177.506 176.094 0.012 0.000 1.100 470 V CA 1.367 63.675 62.300 0.013 0.000 1.112 470 V CB -0.466 31.365 31.823 0.013 0.000 0.738 470 V HN 0.827 nan 8.190 nan 0.000 0.469 471 D N 1.161 121.569 120.400 0.014 0.000 2.249 471 D HA 0.083 4.723 4.640 -0.000 0.000 0.205 471 D C 0.780 177.083 176.300 0.005 0.000 0.962 471 D CA 1.150 55.158 54.000 0.014 0.000 0.860 471 D CB 0.784 41.597 40.800 0.022 0.000 0.955 471 D HN 0.522 nan 8.370 nan 0.000 0.505 472 V N 3.522 123.435 119.914 -0.002 0.000 2.361 472 V HA 0.197 4.317 4.120 -0.000 0.000 0.252 472 V C -2.430 173.658 176.094 -0.010 0.000 0.986 472 V CA -1.263 61.027 62.300 -0.016 0.000 1.033 472 V CB 1.157 32.956 31.823 -0.039 0.000 1.282 472 V HN -0.043 nan 8.190 nan 0.000 0.514 473 P HA 0.378 nan 4.420 nan 0.000 0.275 473 P C -0.327 176.975 177.300 0.003 0.000 1.228 473 P CA 0.036 63.138 63.100 0.003 0.000 0.786 473 P CB 1.621 33.323 31.700 0.004 0.000 0.927 474 A N 3.462 126.289 122.820 0.012 0.000 2.276 474 A HA 0.277 4.597 4.320 -0.000 0.000 0.300 474 A C 0.413 178.002 177.584 0.009 0.000 1.235 474 A CA -0.481 51.566 52.037 0.016 0.000 0.867 474 A CB -0.004 19.017 19.000 0.035 0.000 1.137 474 A HN 0.439 nan 8.150 nan 0.000 0.527 475 Q N 2.674 122.476 119.800 0.003 0.000 2.373 475 Q HA 0.292 4.632 4.340 -0.000 0.000 0.255 475 Q C -2.168 173.830 176.000 -0.002 0.000 0.980 475 Q CA -1.569 54.232 55.803 -0.003 0.000 0.882 475 Q CB 0.428 29.160 28.738 -0.010 0.000 1.249 475 Q HN 0.583 nan 8.270 nan 0.000 0.438 476 P HA 0.194 nan 4.420 nan 0.000 0.274 476 P C -0.387 176.905 177.300 -0.013 0.000 1.237 476 P CA -0.461 62.634 63.100 -0.008 0.000 0.793 476 P CB 0.777 32.471 31.700 -0.009 0.000 0.977 477 I N 2.125 122.684 120.570 -0.018 0.000 2.322 477 I HA 0.128 4.298 4.170 -0.000 0.000 0.292 477 I C 1.021 177.128 176.117 -0.018 0.000 1.060 477 I CA 0.082 61.370 61.300 -0.020 0.000 1.309 477 I CB -0.310 37.672 38.000 -0.030 0.000 1.415 477 I HN 0.353 nan 8.210 nan 0.000 0.492 478 T N 2.326 116.872 114.554 -0.013 0.000 2.829 478 T HA 0.668 5.018 4.350 -0.000 0.000 0.282 478 T C 0.296 174.997 174.700 0.002 0.000 0.990 478 T CA -0.744 61.352 62.100 -0.006 0.000 1.028 478 T CB 1.548 70.413 68.868 -0.004 0.000 0.951 478 T HN 0.620 nan 8.240 nan 0.000 0.460 479 T N -0.330 114.227 114.554 0.005 0.000 2.945 479 T HA 0.694 5.044 4.350 -0.000 0.000 0.286 479 T C 0.444 175.166 174.700 0.036 0.000 1.025 479 T CA -0.827 61.281 62.100 0.013 0.000 1.039 479 T CB 1.209 70.068 68.868 -0.015 0.000 1.068 479 T HN 0.891 nan 8.240 nan 0.000 0.497 480 T N -0.425 114.162 114.554 0.054 0.000 2.902 480 T HA 0.392 4.742 4.350 -0.000 0.000 0.280 480 T C 0.829 175.608 174.700 0.131 0.000 0.992 480 T CA -0.896 61.265 62.100 0.101 0.000 1.015 480 T CB 0.696 69.627 68.868 0.107 0.000 1.044 480 T HN 0.509 nan 8.240 nan 0.000 0.520 481 F N 0.819 120.804 119.950 0.059 0.000 2.087 481 F HA -0.107 4.420 4.527 0.000 0.000 0.299 481 F C 1.942 177.819 175.800 0.129 0.000 1.100 481 F CA 1.562 59.625 58.000 0.106 0.000 1.226 481 F CB -0.452 38.602 39.000 0.090 0.000 0.983 481 F HN 0.523 nan 8.300 nan 0.000 0.479 482 L N -0.159 121.164 121.223 0.168 0.000 2.027 482 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 482 L C 2.486 179.361 176.870 0.008 0.000 1.074 482 L CA 1.809 56.703 54.840 0.091 0.000 0.745 482 L CB -0.742 41.416 42.059 0.165 0.000 0.898 482 L HN 0.182 nan 8.230 nan 0.000 0.433 483 E N -0.292 119.933 120.200 0.042 0.000 2.086 483 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 483 E C 2.339 178.882 176.600 -0.095 0.000 1.012 483 E CA 1.420 57.829 56.400 0.014 0.000 0.812 483 E CB -0.009 29.711 29.700 0.034 0.000 0.743 483 E HN 0.335 nan 8.360 nan 0.000 0.453 484 R N -0.689 119.698 120.500 -0.188 0.000 2.081 484 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 484 R C 1.958 177.931 176.300 -0.544 0.000 1.131 484 R CA 1.166 57.038 56.100 -0.379 0.000 0.960 484 R CB -0.004 30.011 30.300 -0.474 0.000 0.856 484 R HN 0.323 nan 8.270 nan 0.000 0.436 485 H N -0.889 117.992 119.070 -0.315 0.000 2.750 485 H HA 0.199 4.755 4.556 -0.000 0.000 0.263 485 H C 0.467 175.692 175.328 -0.171 0.000 0.964 485 H CA -0.162 55.702 56.048 -0.308 0.000 1.205 485 H CB 0.430 29.852 29.762 -0.567 0.000 1.454 485 H HN 0.034 nan 8.280 nan 0.000 0.503 486 L N 4.042 125.251 121.223 -0.023 0.000 2.514 486 L HA 0.011 4.351 4.340 -0.000 0.000 0.280 486 L C -1.675 175.195 176.870 0.001 0.000 1.223 486 L CA -1.179 53.675 54.840 0.024 0.000 0.864 486 L CB 0.292 42.403 42.059 0.088 0.000 1.118 486 L HN 0.035 nan 8.230 nan 0.000 0.494 487 P HA 0.165 nan 4.420 nan 0.000 0.278 487 P C -0.730 176.542 177.300 -0.047 0.000 1.258 487 P CA -0.632 62.451 63.100 -0.028 0.000 0.811 487 P CB 1.108 32.788 31.700 -0.033 0.000 1.063 488 S N -0.306 115.344 115.700 -0.083 0.000 2.617 488 S HA 0.092 4.562 4.470 -0.000 0.000 0.259 488 S C 1.494 175.972 174.600 -0.203 0.000 1.301 488 S CA -0.509 57.615 58.200 -0.127 0.000 0.984 488 S CB -0.431 62.684 63.200 -0.142 0.000 0.954 488 S HN 0.215 nan 8.310 nan 0.000 0.572 489 V N 2.446 122.173 119.914 -0.312 0.000 2.237 489 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 489 V C -0.440 175.251 176.094 -0.671 0.000 1.046 489 V CA 1.857 63.888 62.300 -0.449 0.000 1.007 489 V CB -1.932 29.641 31.823 -0.416 0.000 0.638 489 V HN 0.801 nan 8.190 nan 0.000 0.445 490 P HA -0.162 nan 4.420 nan 0.000 0.218 490 P C 1.649 178.742 177.300 -0.344 0.000 1.146 490 P CA 2.104 64.749 63.100 -0.758 0.000 0.813 490 P CB -0.290 31.082 31.700 -0.547 0.000 0.778 491 G N 0.309 108.950 108.800 -0.265 0.000 2.394 491 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 491 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 491 G C 1.512 176.339 174.900 -0.121 0.000 1.176 491 G CA 0.414 45.425 45.100 -0.147 0.000 0.786 491 G HN 0.207 nan 8.290 nan 0.000 0.533 492 L N 0.706 121.849 121.223 -0.134 0.000 2.012 492 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 492 L C 2.738 179.552 176.870 -0.094 0.000 1.073 492 L CA 1.361 56.145 54.840 -0.094 0.000 0.748 492 L CB -0.544 41.464 42.059 -0.084 0.000 0.891 492 L HN 0.160 nan 8.230 nan 0.000 0.431 493 L N -0.950 120.187 121.223 -0.144 0.000 2.043 493 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 493 L C 2.834 179.660 176.870 -0.074 0.000 1.075 493 L CA 1.680 56.449 54.840 -0.117 0.000 0.752 493 L CB -0.564 41.382 42.059 -0.189 0.000 0.891 493 L HN 0.355 nan 8.230 nan 0.000 0.432 494 R N -0.661 119.791 120.500 -0.080 0.000 2.075 494 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 494 R C 2.080 178.360 176.300 -0.032 0.000 1.126 494 R CA 0.877 56.950 56.100 -0.046 0.000 0.963 494 R CB -0.227 30.047 30.300 -0.044 0.000 0.858 494 R HN 0.195 nan 8.270 nan 0.000 0.435 495 L N 0.561 121.762 121.223 -0.037 0.000 2.265 495 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 495 L C 1.932 178.792 176.870 -0.018 0.000 1.117 495 L CA 1.433 56.259 54.840 -0.024 0.000 0.782 495 L CB -0.259 41.786 42.059 -0.023 0.000 0.914 495 L HN 0.156 nan 8.230 nan 0.000 0.441 496 I N -1.688 118.869 120.570 -0.022 0.000 2.585 496 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 496 I C 2.280 178.392 176.117 -0.007 0.000 1.129 496 I CA 0.972 62.264 61.300 -0.013 0.000 1.455 496 I CB -0.458 37.532 38.000 -0.015 0.000 1.111 496 I HN 0.241 nan 8.210 nan 0.000 0.433 497 G N 0.182 108.976 108.800 -0.009 0.000 2.559 497 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 497 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 497 G C 1.509 176.408 174.900 -0.001 0.000 1.126 497 G CA 0.414 45.513 45.100 -0.002 0.000 0.778 497 G HN 0.221 nan 8.290 nan 0.000 0.543 498 L N -0.565 120.656 121.223 -0.004 0.000 2.362 498 L HA 0.168 4.508 4.340 -0.000 0.000 0.204 498 L C 2.973 179.842 176.870 -0.001 0.000 1.060 498 L CA 0.961 55.800 54.840 -0.002 0.000 0.827 498 L CB -0.035 42.022 42.059 -0.004 0.000 1.027 498 L HN 0.058 nan 8.230 nan 0.000 0.474 499 T N -1.191 113.362 114.554 -0.002 0.000 2.746 499 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 499 T C 0.869 175.570 174.700 0.001 0.000 1.039 499 T CA 1.513 63.613 62.100 -0.000 0.000 1.142 499 T CB -0.338 68.530 68.868 -0.000 0.000 0.866 499 T HN 0.223 nan 8.240 nan 0.000 0.444 500 T N 2.762 117.317 114.554 0.001 0.000 3.781 500 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 500 T C 0.114 174.816 174.700 0.004 0.000 1.277 500 T CA 0.146 62.248 62.100 0.003 0.000 1.136 500 T CB -1.443 67.427 68.868 0.004 0.000 1.202 500 T HN 0.489 nan 8.240 nan 0.000 0.884 501 I N 0.000 120.572 120.570 0.003 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.004 0.000 1.566 501 I CB 0.000 38.002 38.000 0.004 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494