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 2c65_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 0.000 175.517 175.510 0.011 0.000 1.280 3 N CA 0.000 52.938 53.050 -0.187 0.000 0.885 3 N CB 0.000 38.406 38.487 -0.135 0.000 1.341 4 K N 0.705 121.120 120.400 0.024 0.000 2.201 4 K HA 0.578 4.898 4.320 0.000 0.000 0.278 4 K C -0.574 176.066 176.600 0.067 0.000 1.027 4 K CA -0.496 55.817 56.287 0.044 0.000 0.909 4 K CB 1.458 33.968 32.500 0.018 0.000 1.062 4 K HN 0.596 nan 8.250 nan 0.000 0.465 5 C N -0.926 118.418 119.300 0.072 0.000 3.293 5 C HA 0.385 4.845 4.460 0.000 0.000 0.362 5 C C 0.675 175.701 174.990 0.060 0.000 1.539 5 C CA -0.796 58.264 59.018 0.071 0.000 1.201 5 C CB 0.885 28.679 27.740 0.090 0.000 1.770 5 C HN 0.780 nan 8.230 nan 0.000 0.440 6 D N 0.233 120.671 120.400 0.064 0.000 2.149 6 D HA 0.146 4.786 4.640 0.000 0.000 0.206 6 D C 0.305 176.670 176.300 0.109 0.000 0.967 6 D CA 1.701 55.748 54.000 0.079 0.000 0.848 6 D CB 0.285 41.129 40.800 0.074 0.000 0.998 6 D HN 0.488 nan 8.370 nan 0.000 0.474 7 V N 1.371 121.339 119.914 0.089 0.000 2.686 7 V HA 0.262 4.382 4.120 0.000 0.000 0.306 7 V C -0.194 175.931 176.094 0.051 0.000 1.065 7 V CA -0.835 61.519 62.300 0.091 0.000 0.894 7 V CB 2.812 34.677 31.823 0.070 0.000 1.004 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.213 125.152 119.914 0.042 0.000 2.407 8 V HA 0.400 4.520 4.120 0.000 0.000 0.278 8 V C -0.073 176.014 176.094 -0.012 0.000 1.037 8 V CA -0.412 61.884 62.300 -0.007 0.000 0.900 8 V CB 1.844 33.657 31.823 -0.017 0.000 0.983 8 V HN 0.637 nan 8.190 nan 0.000 0.459 9 V N 6.318 126.211 119.914 -0.035 0.000 2.370 9 V HA 0.320 4.440 4.120 0.000 0.000 0.279 9 V C 0.028 176.096 176.094 -0.043 0.000 1.029 9 V CA -0.566 61.719 62.300 -0.025 0.000 0.870 9 V CB 1.735 33.546 31.823 -0.019 0.000 0.984 9 V HN 0.598 nan 8.190 nan 0.000 0.451 10 V N 4.722 124.625 119.914 -0.019 0.000 2.368 10 V HA 0.790 4.910 4.120 0.000 0.000 0.266 10 V C 0.699 176.797 176.094 0.007 0.000 1.045 10 V CA 0.461 62.750 62.300 -0.018 0.000 0.899 10 V CB 0.416 32.246 31.823 0.011 0.000 1.006 10 V HN 1.267 nan 8.190 nan 0.000 0.470 11 G N 3.680 112.470 108.800 -0.015 0.000 3.233 11 G HA2 0.179 4.139 3.960 0.000 0.000 0.686 11 G HA3 0.179 4.139 3.960 0.000 0.000 0.686 11 G C 0.083 174.986 174.900 0.004 0.000 1.153 11 G CA -0.504 44.599 45.100 0.006 0.000 0.853 11 G HN 1.214 nan 8.290 nan 0.000 0.582 12 G N 0.805 109.605 108.800 0.000 0.000 3.959 12 G HA2 0.680 4.640 3.960 0.000 0.000 0.298 12 G HA3 0.680 4.640 3.960 0.000 0.000 0.298 12 G C 0.884 175.801 174.900 0.028 0.000 1.211 12 G CA 0.929 46.031 45.100 0.003 0.000 1.001 12 G HN 1.298 nan 8.290 nan 0.000 0.561 13 G N -0.141 108.687 108.800 0.047 0.000 2.563 13 G HA2 0.344 4.304 3.960 0.000 0.000 0.283 13 G HA3 0.344 4.304 3.960 0.000 0.000 0.283 13 G C 1.207 176.136 174.900 0.049 0.000 1.309 13 G CA -0.760 44.378 45.100 0.063 0.000 1.022 13 G HN 0.138 nan 8.290 nan 0.000 0.501 14 I N -0.534 120.068 120.570 0.053 0.000 2.194 14 I HA -0.235 3.935 4.170 0.000 0.000 0.246 14 I C 3.016 179.160 176.117 0.044 0.000 1.093 14 I CA 1.696 63.020 61.300 0.040 0.000 1.355 14 I CB -0.108 37.920 38.000 0.046 0.000 1.046 14 I HN 0.476 nan 8.210 nan 0.000 0.413 15 S N 0.470 116.208 115.700 0.064 0.000 2.355 15 S HA -0.119 4.351 4.470 0.000 0.000 0.222 15 S C 2.099 176.728 174.600 0.048 0.000 1.031 15 S CA 1.581 59.822 58.200 0.068 0.000 0.993 15 S CB -0.582 62.677 63.200 0.099 0.000 0.859 15 S HN 0.575 nan 8.310 nan 0.000 0.453 16 G N 1.542 110.369 108.800 0.045 0.000 2.418 16 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 16 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 16 G C 1.447 176.351 174.900 0.008 0.000 1.158 16 G CA 0.978 46.093 45.100 0.026 0.000 0.771 16 G HN 0.398 nan 8.290 nan 0.000 0.545 17 M N 1.208 120.811 119.600 0.006 0.000 2.132 17 M HA 0.093 4.573 4.480 0.000 0.000 0.263 17 M C 2.998 179.292 176.300 -0.010 0.000 1.065 17 M CA 1.195 56.488 55.300 -0.010 0.000 1.122 17 M CB -1.337 31.255 32.600 -0.014 0.000 1.365 17 M HN 0.310 nan 8.290 nan 0.000 0.411 18 A N 0.302 123.122 122.820 0.001 0.000 1.902 18 A HA 0.019 4.339 4.320 0.000 0.000 0.217 18 A C 2.465 180.049 177.584 -0.001 0.000 1.181 18 A CA 2.091 54.129 52.037 0.001 0.000 0.623 18 A CB -0.894 18.113 19.000 0.012 0.000 0.818 18 A HN 0.465 nan 8.150 nan 0.000 0.443 19 A N -0.049 122.771 122.820 -0.000 0.000 1.877 19 A HA 0.148 4.468 4.320 0.000 0.000 0.216 19 A C 2.538 180.117 177.584 -0.008 0.000 1.186 19 A CA 2.208 54.239 52.037 -0.011 0.000 0.620 19 A CB -1.121 17.875 19.000 -0.008 0.000 0.822 19 A HN 1.073 nan 8.150 nan 0.000 0.443 20 A N -0.265 122.552 122.820 -0.004 0.000 1.902 20 A HA -0.193 4.127 4.320 0.000 0.000 0.217 20 A C 2.156 179.755 177.584 0.026 0.000 1.181 20 A CA 2.105 54.143 52.037 0.002 0.000 0.623 20 A CB -0.500 18.490 19.000 -0.018 0.000 0.818 20 A HN 0.572 nan 8.150 nan 0.000 0.443 21 K N -0.489 119.917 120.400 0.010 0.000 2.026 21 K HA -0.113 4.207 4.320 0.000 0.000 0.208 21 K C 2.012 178.651 176.600 0.065 0.000 1.048 21 K CA 1.554 57.860 56.287 0.032 0.000 0.929 21 K CB -0.321 32.181 32.500 0.003 0.000 0.713 21 K HN 0.454 nan 8.250 nan 0.000 0.439 22 L N 1.167 122.406 121.223 0.026 0.000 2.017 22 L HA -0.193 4.147 4.340 0.000 0.000 0.208 22 L C 2.194 179.070 176.870 0.010 0.000 1.073 22 L CA 1.222 56.069 54.840 0.010 0.000 0.745 22 L CB -0.158 41.891 42.059 -0.016 0.000 0.894 22 L HN 0.252 nan 8.230 nan 0.000 0.432 23 L N -1.112 120.118 121.223 0.012 0.000 2.046 23 L HA -0.269 4.071 4.340 0.000 0.000 0.208 23 L C 2.591 179.482 176.870 0.034 0.000 1.077 23 L CA 1.515 56.358 54.840 0.005 0.000 0.747 23 L CB -0.841 41.217 42.059 -0.001 0.000 0.896 23 L HN 0.415 nan 8.230 nan 0.000 0.432 24 H N 0.288 119.345 119.070 -0.021 0.000 2.321 24 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 24 H C 1.817 177.137 175.328 -0.014 0.000 1.087 24 H CA 2.039 58.078 56.048 -0.014 0.000 1.319 24 H CB 0.035 29.789 29.762 -0.013 0.000 1.379 24 H HN 0.207 nan 8.280 nan 0.000 0.501 25 D N -0.563 119.848 120.400 0.019 0.000 2.218 25 D HA -0.094 4.546 4.640 0.000 0.000 0.204 25 D C 1.899 178.156 176.300 -0.073 0.000 0.976 25 D CA 1.178 55.156 54.000 -0.036 0.000 0.853 25 D CB -0.216 40.599 40.800 0.025 0.000 0.939 25 D HN 0.324 nan 8.370 nan 0.000 0.481 26 S N -1.178 114.486 115.700 -0.059 0.000 2.562 26 S HA 0.227 4.697 4.470 0.000 0.000 0.221 26 S C 1.589 176.146 174.600 -0.072 0.000 0.975 26 S CA 0.647 58.813 58.200 -0.056 0.000 0.918 26 S CB 0.598 63.772 63.200 -0.045 0.000 0.772 26 S HN 0.459 nan 8.310 nan 0.000 0.531 27 G N 0.823 109.555 108.800 -0.115 0.000 2.159 27 G HA2 -0.186 3.774 3.960 0.000 0.000 0.227 27 G HA3 -0.186 3.774 3.960 0.000 0.000 0.227 27 G C -0.013 174.839 174.900 -0.080 0.000 0.986 27 G CA -0.329 44.701 45.100 -0.117 0.000 0.651 27 G HN 0.410 nan 8.290 nan 0.000 0.523 28 L N 0.625 121.814 121.223 -0.056 0.000 2.439 28 L HA 0.416 4.756 4.340 0.000 0.000 0.261 28 L C 0.158 177.036 176.870 0.013 0.000 1.153 28 L CA -0.991 53.842 54.840 -0.012 0.000 0.808 28 L CB 0.553 42.613 42.059 0.002 0.000 1.126 28 L HN 0.011 nan 8.230 nan 0.000 0.460 29 N N 1.899 120.620 118.700 0.035 0.000 2.420 29 N HA 0.278 5.018 4.740 0.000 0.000 0.249 29 N C -0.683 174.870 175.510 0.070 0.000 1.033 29 N CA -0.123 52.963 53.050 0.061 0.000 0.944 29 N CB 1.564 40.083 38.487 0.052 0.000 1.113 29 N HN 0.349 nan 8.380 nan 0.000 0.502 30 V N 0.154 120.120 119.914 0.087 0.000 2.667 30 V HA 0.731 4.851 4.120 0.000 0.000 0.308 30 V C -0.049 176.069 176.094 0.039 0.000 1.048 30 V CA -0.717 61.619 62.300 0.060 0.000 0.928 30 V CB 1.945 33.801 31.823 0.056 0.000 1.004 30 V HN 0.153 nan 8.190 nan 0.000 0.444 31 V N 3.684 123.601 119.914 0.006 0.000 2.656 31 V HA 0.541 4.661 4.120 0.000 0.000 0.307 31 V C -0.334 175.705 176.094 -0.091 0.000 1.051 31 V CA -0.538 61.737 62.300 -0.042 0.000 0.893 31 V CB 2.095 33.883 31.823 -0.059 0.000 0.999 31 V HN 0.838 nan 8.190 nan 0.000 0.426 32 V N 6.088 125.941 119.914 -0.102 0.000 2.370 32 V HA 0.455 4.575 4.120 0.000 0.000 0.283 32 V C -0.231 175.769 176.094 -0.156 0.000 1.023 32 V CA -0.439 61.798 62.300 -0.105 0.000 0.857 32 V CB 1.497 33.279 31.823 -0.069 0.000 0.985 32 V HN 0.612 nan 8.190 nan 0.000 0.443 33 L N 4.637 125.751 121.223 -0.181 0.000 2.262 33 L HA 0.590 4.930 4.340 0.000 0.000 0.288 33 L C -0.161 176.628 176.870 -0.134 0.000 1.035 33 L CA -0.347 54.369 54.840 -0.208 0.000 0.820 33 L CB 1.366 43.260 42.059 -0.275 0.000 1.204 33 L HN 0.621 nan 8.230 nan 0.000 0.424 34 E N 2.374 122.502 120.200 -0.120 0.000 2.158 34 E HA 0.483 4.833 4.350 0.000 0.000 0.271 34 E C 0.379 176.882 176.600 -0.162 0.000 0.911 34 E CA -0.313 56.020 56.400 -0.112 0.000 0.767 34 E CB 2.054 31.711 29.700 -0.072 0.000 1.120 34 E HN 0.547 nan 8.360 nan 0.000 0.405 35 A N 5.432 128.091 122.820 -0.267 0.000 1.933 35 A HA -0.053 4.267 4.320 0.000 0.000 0.218 35 A C 1.057 178.428 177.584 -0.355 0.000 1.175 35 A CA 1.062 52.805 52.037 -0.489 0.000 0.628 35 A CB -0.199 18.096 19.000 -1.176 0.000 0.814 35 A HN 0.609 nan 8.150 nan 0.000 0.444 36 R N -0.196 120.174 120.500 -0.217 0.000 2.541 36 R HA 0.260 4.600 4.340 0.000 0.000 0.263 36 R C 0.136 176.406 176.300 -0.050 0.000 1.112 36 R CA 0.104 56.152 56.100 -0.088 0.000 1.170 36 R CB 0.165 30.451 30.300 -0.024 0.000 1.167 36 R HN 0.442 nan 8.270 nan 0.000 0.582 37 D N 0.370 120.758 120.400 -0.020 0.000 2.324 37 D HA -0.040 4.600 4.640 0.000 0.000 0.235 37 D C -0.141 176.164 176.300 0.008 0.000 1.095 37 D CA 0.103 54.100 54.000 -0.005 0.000 0.871 37 D CB -0.065 40.737 40.800 0.003 0.000 0.906 37 D HN 0.431 nan 8.370 nan 0.000 0.522 38 R N -1.199 119.307 120.500 0.010 0.000 2.710 38 R HA 0.563 4.903 4.340 0.000 0.000 0.270 38 R C -0.728 175.595 176.300 0.039 0.000 1.021 38 R CA -1.115 55.009 56.100 0.040 0.000 0.889 38 R CB 1.221 31.567 30.300 0.075 0.000 1.243 38 R HN -0.099 nan 8.270 nan 0.000 0.464 39 V N -1.120 118.824 119.914 0.050 0.000 3.134 39 V HA 0.862 4.982 4.120 0.000 0.000 0.313 39 V C 0.945 177.096 176.094 0.095 0.000 1.069 39 V CA 0.471 62.801 62.300 0.050 0.000 1.048 39 V CB 0.825 32.663 31.823 0.024 0.000 1.119 39 V HN 1.196 nan 8.190 nan 0.000 0.461 40 G N -0.666 108.189 108.800 0.092 0.000 2.391 40 G HA2 0.153 4.113 3.960 0.000 0.000 0.204 40 G HA3 0.153 4.113 3.960 0.000 0.000 0.204 40 G C 1.572 176.563 174.900 0.152 0.000 1.012 40 G CA 0.735 45.909 45.100 0.125 0.000 0.651 40 G HN 2.577 nan 8.290 nan 0.000 0.494 41 G N 0.653 109.554 108.800 0.169 0.000 2.646 41 G HA2 -0.420 3.540 3.960 0.000 0.000 0.324 41 G HA3 -0.420 3.540 3.960 0.000 0.000 0.324 41 G C 0.995 176.062 174.900 0.278 0.000 1.195 41 G CA 1.547 46.767 45.100 0.199 0.000 0.976 41 G HN 1.166 nan 8.290 nan 0.000 0.546 42 R N 1.832 122.402 120.500 0.117 0.000 2.323 42 R HA 0.205 4.545 4.340 0.000 0.000 0.198 42 R C 1.109 177.309 176.300 -0.167 0.000 0.988 42 R CA 1.072 57.059 56.100 -0.188 0.000 1.041 42 R CB -0.185 29.981 30.300 -0.222 0.000 0.926 42 R HN 0.708 nan 8.270 nan 0.000 0.476 43 T N -2.400 112.211 114.554 0.094 0.000 2.829 43 T HA 0.362 4.712 4.350 0.000 0.000 0.282 43 T C -0.936 173.997 174.700 0.388 0.000 0.990 43 T CA -0.624 61.584 62.100 0.179 0.000 1.028 43 T CB 1.562 70.502 68.868 0.119 0.000 0.951 43 T HN 0.108 nan 8.240 nan 0.000 0.460 44 Y N 1.238 121.691 120.300 0.255 0.000 2.313 44 Y HA 0.415 4.965 4.550 0.000 0.000 0.320 44 Y C -1.194 174.824 175.900 0.195 0.000 1.171 44 Y CA -0.818 57.431 58.100 0.248 0.000 1.093 44 Y CB 1.533 40.199 38.460 0.344 0.000 1.224 44 Y HN 0.877 nan 8.280 nan 0.000 0.421 45 T N 7.802 122.195 114.554 -0.268 0.000 2.770 45 T HA 0.374 4.724 4.350 0.000 0.000 0.297 45 T C -0.742 173.633 174.700 -0.542 0.000 0.997 45 T CA -0.396 61.538 62.100 -0.276 0.000 0.949 45 T CB 0.487 69.304 68.868 -0.084 0.000 0.941 45 T HN 0.574 nan 8.240 nan 0.000 0.457 46 L N 4.518 125.429 121.223 -0.520 0.000 2.331 46 L HA 0.567 4.907 4.340 0.000 0.000 0.278 46 L C -0.165 176.629 176.870 -0.127 0.000 1.106 46 L CA 0.040 54.660 54.840 -0.366 0.000 0.824 46 L CB 0.341 42.282 42.059 -0.197 0.000 1.142 46 L HN 0.451 nan 8.230 nan 0.000 0.443 47 R N 3.612 124.064 120.500 -0.081 0.000 2.437 47 R HA 0.637 4.977 4.340 0.000 0.000 0.310 47 R C -1.036 175.243 176.300 -0.036 0.000 0.955 47 R CA -0.566 55.513 56.100 -0.036 0.000 0.851 47 R CB 1.331 31.621 30.300 -0.016 0.000 1.161 47 R HN 0.899 nan 8.270 nan 0.000 0.446 48 N N -1.159 117.504 118.700 -0.061 0.000 3.020 48 N HA 0.050 4.790 4.740 0.000 0.000 0.248 48 N C -0.166 175.286 175.510 -0.096 0.000 1.480 48 N CA -0.885 52.126 53.050 -0.064 0.000 0.874 48 N CB 0.688 39.142 38.487 -0.056 0.000 1.433 48 N HN 0.240 nan 8.380 nan 0.000 0.530 49 Q N -0.490 119.261 119.800 -0.082 0.000 2.167 49 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 49 Q C 0.533 176.488 176.000 -0.076 0.000 0.970 49 Q CA 1.200 56.969 55.803 -0.057 0.000 0.855 49 Q CB 0.045 28.759 28.738 -0.041 0.000 0.911 49 Q HN 0.500 nan 8.270 nan 0.000 0.438 50 K N -0.041 120.219 120.400 -0.234 0.000 2.217 50 K HA -0.049 4.271 4.320 0.000 0.000 0.202 50 K C 1.943 178.322 176.600 -0.369 0.000 1.051 50 K CA 1.148 57.184 56.287 -0.418 0.000 0.952 50 K CB 0.166 32.049 32.500 -1.028 0.000 0.736 50 K HN 0.267 nan 8.250 nan 0.000 0.453 51 V N -2.998 116.684 119.914 -0.388 0.000 3.604 51 V HA 0.233 4.353 4.120 0.000 0.000 0.277 51 V C 1.404 177.104 176.094 -0.656 0.000 1.399 51 V CA 0.570 62.599 62.300 -0.452 0.000 1.034 51 V CB 0.236 31.826 31.823 -0.388 0.000 0.824 51 V HN 0.241 nan 8.190 nan 0.000 0.439 52 K N 0.654 120.744 120.400 -0.516 0.000 11.046 52 K HA -0.310 4.010 4.320 0.000 0.000 0.528 52 K C 0.155 176.649 176.600 -0.177 0.000 0.384 52 K CA 2.577 58.605 56.287 -0.431 0.000 1.939 52 K CB -1.457 30.584 32.500 -0.765 0.000 0.775 52 K HN 0.949 nan 8.250 nan 0.000 1.232 53 Y N -1.871 118.277 120.300 -0.253 0.000 2.562 53 Y HA 0.740 5.290 4.550 0.000 0.000 0.345 53 Y C -1.202 174.653 175.900 -0.075 0.000 1.045 53 Y CA -0.744 57.272 58.100 -0.141 0.000 1.028 53 Y CB 2.101 40.497 38.460 -0.107 0.000 1.297 53 Y HN 0.017 nan 8.280 nan 0.000 0.463 54 V N 2.343 122.318 119.914 0.102 0.000 2.817 54 V HA 0.342 4.462 4.120 0.000 0.000 0.303 54 V C -1.598 174.559 176.094 0.104 0.000 1.151 54 V CA -0.654 61.709 62.300 0.106 0.000 0.929 54 V CB 1.902 33.805 31.823 0.134 0.000 1.030 54 V HN 0.927 nan 8.190 nan 0.000 0.427 55 D N 5.619 126.095 120.400 0.125 0.000 2.371 55 D HA 0.278 4.918 4.640 0.000 0.000 0.256 55 D C 0.812 177.198 176.300 0.144 0.000 1.193 55 D CA 0.287 54.349 54.000 0.102 0.000 0.881 55 D CB 1.821 42.654 40.800 0.055 0.000 1.143 55 D HN 0.523 nan 8.370 nan 0.000 0.473 56 L N 1.481 122.847 121.223 0.238 0.000 2.590 56 L HA 0.231 4.571 4.340 0.000 0.000 0.227 56 L C 1.497 178.762 176.870 0.659 0.000 1.099 56 L CA 0.012 55.090 54.840 0.397 0.000 0.872 56 L CB 0.428 42.736 42.059 0.416 0.000 1.088 56 L HN 0.342 nan 8.230 nan 0.000 0.479 57 G N -0.717 108.389 108.800 0.511 0.000 3.247 57 G HA2 0.419 4.379 3.960 0.000 0.000 0.163 57 G HA3 0.419 4.379 3.960 0.000 0.000 0.163 57 G C -0.132 174.794 174.900 0.044 0.000 1.206 57 G CA -0.050 45.168 45.100 0.197 0.000 0.918 57 G HN 0.076 nan 8.290 nan 0.000 0.625 58 G N -0.697 108.063 108.800 -0.068 0.000 2.321 58 G HA2 0.361 4.321 3.960 0.000 0.000 0.237 58 G HA3 0.361 4.321 3.960 0.000 0.000 0.237 58 G C 0.543 175.423 174.900 -0.033 0.000 1.282 58 G CA 0.949 46.014 45.100 -0.059 0.000 0.886 58 G HN 0.857 nan 8.290 nan 0.000 0.528 59 S N 1.311 116.935 115.700 -0.126 0.000 3.330 59 S HA 0.180 4.650 4.470 0.000 0.000 0.259 59 S C 0.121 174.476 174.600 -0.409 0.000 1.095 59 S CA -0.341 57.683 58.200 -0.294 0.000 0.841 59 S CB -0.036 62.843 63.200 -0.536 0.000 0.890 59 S HN 0.489 nan 8.310 nan 0.000 0.446 60 Y N 2.994 123.262 120.300 -0.053 0.000 2.319 60 Y HA 0.506 5.056 4.550 -0.000 0.000 0.328 60 Y C 0.318 176.100 175.900 -0.196 0.000 1.133 60 Y CA -0.285 57.737 58.100 -0.129 0.000 1.265 60 Y CB 1.075 39.505 38.460 -0.051 0.000 1.218 60 Y HN 0.140 nan 8.280 nan 0.000 0.508 61 V N -0.081 119.719 119.914 -0.191 0.000 3.102 61 V HA 1.103 5.223 4.120 0.000 0.000 0.312 61 V C -0.288 175.615 176.094 -0.319 0.000 1.135 61 V CA -0.520 61.586 62.300 -0.323 0.000 1.022 61 V CB 1.724 33.269 31.823 -0.463 0.000 1.056 61 V HN 0.938 nan 8.190 nan 0.000 0.436 62 G N 0.322 108.887 108.800 -0.392 0.000 2.548 62 G HA2 0.705 4.665 3.960 0.000 0.000 0.301 62 G HA3 0.705 4.665 3.960 0.000 0.000 0.301 62 G C -3.449 171.285 174.900 -0.276 0.000 1.349 62 G CA -1.091 43.831 45.100 -0.297 0.000 0.792 62 G HN 0.721 nan 8.290 nan 0.000 0.481 63 P HA 0.109 nan 4.420 nan 0.000 0.265 63 P C 0.811 178.091 177.300 -0.032 0.000 1.187 63 P CA 2.020 65.074 63.100 -0.076 0.000 0.766 63 P CB 0.853 32.536 31.700 -0.028 0.000 0.820 64 T N -1.383 113.186 114.554 0.025 0.000 6.424 64 T HA -0.251 4.099 4.350 0.000 0.000 0.279 64 T C 0.268 175.023 174.700 0.091 0.000 2.176 64 T CA 0.990 63.191 62.100 0.169 0.000 3.628 64 T CB -2.666 66.430 68.868 0.380 0.000 1.165 64 T HN 0.578 nan 8.240 nan 0.000 1.080 65 Q N 1.360 121.014 119.800 -0.243 0.000 3.207 65 Q HA 0.377 4.717 4.340 0.000 0.000 0.335 65 Q C 0.913 176.825 176.000 -0.146 0.000 1.374 65 Q CA -0.471 55.090 55.803 -0.403 0.000 1.023 65 Q CB 0.206 28.507 28.738 -0.729 0.000 1.576 65 Q HN 0.492 nan 8.270 nan 0.000 0.515 66 N N 0.793 119.485 118.700 -0.013 0.000 2.331 66 N HA -0.067 4.673 4.740 0.000 0.000 0.180 66 N C 1.230 176.758 175.510 0.030 0.000 1.019 66 N CA 0.791 53.852 53.050 0.019 0.000 0.881 66 N CB 0.268 38.788 38.487 0.054 0.000 0.972 66 N HN 0.381 nan 8.380 nan 0.000 0.435 67 R N 0.518 121.043 120.500 0.042 0.000 2.062 67 R HA 0.005 4.345 4.340 0.000 0.000 0.229 67 R C 2.060 178.383 176.300 0.039 0.000 1.128 67 R CA 0.747 56.876 56.100 0.049 0.000 0.960 67 R CB -0.378 29.965 30.300 0.073 0.000 0.855 67 R HN 0.095 nan 8.270 nan 0.000 0.432 68 I N 1.263 121.853 120.570 0.033 0.000 2.286 68 I HA -0.200 3.970 4.170 0.000 0.000 0.248 68 I C 1.846 178.038 176.117 0.125 0.000 1.115 68 I CA 1.378 62.721 61.300 0.072 0.000 1.392 68 I CB -0.071 37.984 38.000 0.092 0.000 1.065 68 I HN 0.102 nan 8.210 nan 0.000 0.418 69 L N 0.208 121.488 121.223 0.094 0.000 2.046 69 L HA -0.188 4.152 4.340 0.000 0.000 0.208 69 L C 2.764 179.684 176.870 0.083 0.000 1.077 69 L CA 1.409 56.319 54.840 0.116 0.000 0.747 69 L CB -0.838 41.241 42.059 0.034 0.000 0.896 69 L HN 0.271 nan 8.230 nan 0.000 0.432 70 R N 0.667 121.195 120.500 0.047 0.000 2.066 70 R HA -0.179 4.161 4.340 0.000 0.000 0.232 70 R C 2.302 178.611 176.300 0.016 0.000 1.131 70 R CA 1.610 57.728 56.100 0.031 0.000 0.955 70 R CB -0.644 29.673 30.300 0.028 0.000 0.851 70 R HN 0.238 nan 8.270 nan 0.000 0.432 71 L N 1.254 122.483 121.223 0.010 0.000 2.012 71 L HA -0.080 4.260 4.340 0.000 0.000 0.210 71 L C 2.434 179.271 176.870 -0.055 0.000 1.073 71 L CA 2.380 57.209 54.840 -0.017 0.000 0.748 71 L CB -0.952 41.096 42.059 -0.017 0.000 0.891 71 L HN 0.252 nan 8.230 nan 0.000 0.431 72 A N -0.717 122.057 122.820 -0.077 0.000 1.902 72 A HA -0.266 4.054 4.320 0.000 0.000 0.217 72 A C 2.469 179.999 177.584 -0.090 0.000 1.181 72 A CA 1.980 53.902 52.037 -0.192 0.000 0.623 72 A CB -0.646 18.134 19.000 -0.368 0.000 0.818 72 A HN 0.523 nan 8.150 nan 0.000 0.443 73 K N -0.294 120.102 120.400 -0.005 0.000 2.057 73 K HA -0.204 4.116 4.320 0.000 0.000 0.207 73 K C 2.071 178.665 176.600 -0.010 0.000 1.049 73 K CA 1.671 57.964 56.287 0.011 0.000 0.931 73 K CB -0.184 32.335 32.500 0.031 0.000 0.714 73 K HN 0.621 nan 8.250 nan 0.000 0.440 74 E N 0.490 120.681 120.200 -0.015 0.000 2.153 74 E HA -0.172 4.178 4.350 0.000 0.000 0.194 74 E C 1.672 178.254 176.600 -0.029 0.000 0.988 74 E CA 0.914 57.304 56.400 -0.016 0.000 0.811 74 E CB 0.016 29.708 29.700 -0.012 0.000 0.746 74 E HN 0.353 nan 8.360 nan 0.000 0.466 75 L N -0.664 120.528 121.223 -0.052 0.000 2.610 75 L HA 0.134 4.474 4.340 0.000 0.000 0.232 75 L C 1.370 178.201 176.870 -0.065 0.000 1.149 75 L CA 0.495 55.295 54.840 -0.067 0.000 0.872 75 L CB 0.164 42.162 42.059 -0.102 0.000 0.992 75 L HN 0.390 nan 8.230 nan 0.000 0.447 76 G N 0.056 108.826 108.800 -0.050 0.000 2.131 76 G HA2 -0.222 3.738 3.960 0.000 0.000 0.223 76 G HA3 -0.222 3.738 3.960 0.000 0.000 0.223 76 G C 0.063 174.940 174.900 -0.039 0.000 0.990 76 G CA -0.370 44.708 45.100 -0.036 0.000 0.671 76 G HN 0.185 nan 8.290 nan 0.000 0.521 77 L N -0.159 121.030 121.223 -0.057 0.000 2.399 77 L HA 0.760 5.100 4.340 0.000 0.000 0.265 77 L C 0.582 177.487 176.870 0.059 0.000 1.089 77 L CA -0.778 54.035 54.840 -0.045 0.000 0.802 77 L CB 1.165 43.107 42.059 -0.195 0.000 1.180 77 L HN 0.201 nan 8.230 nan 0.000 0.454 78 E N -0.274 120.002 120.200 0.128 0.000 2.336 78 E HA 0.453 4.803 4.350 0.000 0.000 0.267 78 E C -1.016 175.738 176.600 0.257 0.000 0.906 78 E CA -0.738 55.760 56.400 0.164 0.000 0.781 78 E CB 2.441 32.208 29.700 0.112 0.000 1.261 78 E HN 0.654 nan 8.360 nan 0.000 0.436 79 T N -1.367 113.285 114.554 0.164 0.000 2.952 79 T HA 0.626 4.976 4.350 0.000 0.000 0.286 79 T C -0.726 174.051 174.700 0.129 0.000 1.024 79 T CA -0.676 61.453 62.100 0.048 0.000 1.029 79 T CB 0.669 69.444 68.868 -0.154 0.000 1.094 79 T HN 0.532 nan 8.240 nan 0.000 0.515 80 Y N -1.408 118.886 120.300 -0.010 0.000 2.609 80 Y HA 0.736 5.286 4.550 0.000 0.000 0.342 80 Y C -0.750 175.150 175.900 -0.000 0.000 1.058 80 Y CA -1.554 56.553 58.100 0.012 0.000 1.055 80 Y CB 1.405 39.893 38.460 0.046 0.000 1.292 80 Y HN 0.625 nan 8.280 nan 0.000 0.476 81 K N 2.195 122.646 120.400 0.085 0.000 2.234 81 K HA 0.437 4.757 4.320 0.000 0.000 0.282 81 K C -0.831 175.796 176.600 0.046 0.000 1.039 81 K CA -0.762 55.519 56.287 -0.010 0.000 0.928 81 K CB 1.617 34.141 32.500 0.041 0.000 1.039 81 K HN 0.578 nan 8.250 nan 0.000 0.470 82 V N 3.217 123.097 119.914 -0.055 0.000 2.673 82 V HA -0.105 4.015 4.120 0.000 0.000 0.303 82 V C 0.549 176.689 176.094 0.075 0.000 1.046 82 V CA -0.172 62.155 62.300 0.046 0.000 1.126 82 V CB 0.390 32.230 31.823 0.028 0.000 0.934 82 V HN 0.729 nan 8.190 nan 0.000 0.487 83 N N 3.703 122.473 118.700 0.118 0.000 2.438 83 N HA 0.027 4.767 4.740 0.000 0.000 0.267 83 N C 0.227 175.761 175.510 0.039 0.000 1.222 83 N CA 0.455 53.561 53.050 0.093 0.000 0.930 83 N CB 0.277 38.844 38.487 0.134 0.000 1.083 83 N HN 0.816 nan 8.380 nan 0.000 0.476 84 E N 3.009 123.221 120.200 0.020 0.000 3.191 84 E HA 0.119 4.469 4.350 0.000 0.000 0.192 84 E C 0.281 176.878 176.600 -0.005 0.000 0.972 84 E CA -0.076 56.317 56.400 -0.012 0.000 1.266 84 E CB 0.266 29.945 29.700 -0.036 0.000 1.076 84 E HN 0.448 nan 8.360 nan 0.000 0.462 85 V N 0.446 120.370 119.914 0.015 0.000 2.323 85 V HA -0.139 3.981 4.120 0.000 0.000 0.244 85 V C 0.944 177.043 176.094 0.009 0.000 1.041 85 V CA 1.544 63.851 62.300 0.013 0.000 1.025 85 V CB -0.108 31.725 31.823 0.018 0.000 0.656 85 V HN 0.255 nan 8.190 nan 0.000 0.451 86 E N -0.648 119.565 120.200 0.021 0.000 3.099 86 E HA 0.399 4.749 4.350 0.000 0.000 0.259 86 E C 0.190 176.800 176.600 0.017 0.000 1.274 86 E CA -0.629 55.788 56.400 0.028 0.000 1.111 86 E CB 0.263 29.994 29.700 0.053 0.000 1.327 86 E HN 0.306 nan 8.360 nan 0.000 0.652 87 R N 0.183 120.716 120.500 0.054 0.000 2.539 87 R HA 0.303 4.643 4.340 0.000 0.000 0.275 87 R C -0.505 175.755 176.300 -0.068 0.000 1.077 87 R CA -0.602 55.504 56.100 0.010 0.000 1.097 87 R CB 0.146 30.515 30.300 0.116 0.000 1.018 87 R HN 0.172 nan 8.270 nan 0.000 0.483 88 L N 2.444 123.454 121.223 -0.354 0.000 2.456 88 L HA 0.372 4.712 4.340 0.000 0.000 0.257 88 L C 0.197 176.857 176.870 -0.350 0.000 1.162 88 L CA 0.189 54.719 54.840 -0.516 0.000 0.808 88 L CB 0.465 41.884 42.059 -1.066 0.000 1.136 88 L HN 0.458 nan 8.230 nan 0.000 0.466 89 I N 0.343 120.850 120.570 -0.105 0.000 2.465 89 I HA 0.279 4.449 4.170 0.000 0.000 0.291 89 I C -0.574 175.847 176.117 0.507 0.000 1.014 89 I CA -0.485 60.907 61.300 0.153 0.000 1.093 89 I CB 1.528 39.465 38.000 -0.105 0.000 1.267 89 I HN 0.542 nan 8.210 nan 0.000 0.431 90 H N 5.239 124.637 119.070 0.546 0.000 2.541 90 H HA 0.317 4.873 4.556 0.000 0.000 0.316 90 H C -1.284 174.282 175.328 0.397 0.000 1.043 90 H CA -0.732 55.570 56.048 0.423 0.000 1.232 90 H CB 0.943 30.854 29.762 0.249 0.000 1.406 90 H HN 0.607 nan 8.280 nan 0.000 0.469 91 H N 4.710 123.919 119.070 0.231 0.000 2.581 91 H HA 0.377 4.933 4.556 0.000 0.000 0.308 91 H C -1.399 173.937 175.328 0.012 0.000 1.040 91 H CA -0.447 55.667 56.048 0.110 0.000 1.231 91 H CB 0.520 30.343 29.762 0.103 0.000 1.396 91 H HN 0.271 nan 8.280 nan 0.000 0.467 92 V N 6.086 125.880 119.914 -0.200 0.000 2.638 92 V HA 0.181 4.301 4.120 0.000 0.000 0.306 92 V C -0.045 175.990 176.094 -0.098 0.000 1.052 92 V CA -1.258 60.950 62.300 -0.154 0.000 0.885 92 V CB 1.757 33.437 31.823 -0.239 0.000 0.999 92 V HN 0.946 nan 8.190 nan 0.000 0.424 93 K N 3.446 123.816 120.400 -0.051 0.000 3.156 93 K HA -0.258 4.062 4.320 0.000 0.000 0.266 93 K C 1.090 177.652 176.600 -0.063 0.000 0.966 93 K CA 0.813 57.088 56.287 -0.019 0.000 0.719 93 K CB -1.323 31.183 32.500 0.011 0.000 1.333 93 K HN 1.698 nan 8.250 nan 0.000 0.468 94 G N -0.330 108.383 108.800 -0.145 0.000 2.159 94 G HA2 -0.331 3.629 3.960 0.000 0.000 0.256 94 G HA3 -0.331 3.629 3.960 0.000 0.000 0.256 94 G C -0.137 174.596 174.900 -0.279 0.000 0.977 94 G CA 0.933 45.980 45.100 -0.089 0.000 0.652 94 G HN 0.392 nan 8.290 nan 0.000 0.531 95 K N 0.062 120.123 120.400 -0.565 0.000 2.426 95 K HA 0.627 4.947 4.320 0.000 0.000 0.251 95 K C -0.664 175.566 176.600 -0.617 0.000 0.941 95 K CA -0.623 55.386 56.287 -0.464 0.000 0.808 95 K CB 2.016 34.304 32.500 -0.352 0.000 1.265 95 K HN 0.065 nan 8.250 nan 0.000 0.432 96 S N 1.550 117.031 115.700 -0.364 0.000 2.480 96 S HA 0.391 4.861 4.470 0.000 0.000 0.286 96 S C -1.228 173.148 174.600 -0.374 0.000 1.180 96 S CA -0.524 57.595 58.200 -0.134 0.000 1.075 96 S CB 0.200 63.438 63.200 0.063 0.000 0.996 96 S HN 0.357 nan 8.310 nan 0.000 0.487 97 Y N 2.618 123.006 120.300 0.147 0.000 2.447 97 Y HA 0.354 4.904 4.550 0.000 0.000 0.325 97 Y C -2.474 173.628 175.900 0.336 0.000 0.976 97 Y CA -2.403 55.822 58.100 0.208 0.000 1.280 97 Y CB 0.796 39.363 38.460 0.179 0.000 1.104 97 Y HN 0.456 nan 8.280 nan 0.000 0.486 98 P HA 0.238 nan 4.420 nan 0.000 0.271 98 P C -0.815 176.780 177.300 0.491 0.000 1.218 98 P CA 0.018 63.348 63.100 0.383 0.000 0.780 98 P CB 0.626 32.539 31.700 0.356 0.000 0.901 99 F N -1.126 118.946 119.950 0.204 0.000 2.779 99 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 99 F C -1.131 174.745 175.800 0.128 0.000 1.164 99 F CA -1.293 56.811 58.000 0.174 0.000 0.924 99 F CB 1.426 40.531 39.000 0.175 0.000 1.348 99 F HN 0.049 nan 8.300 nan 0.000 0.467 100 R N 0.629 121.252 120.500 0.205 0.000 2.837 100 R HA 0.765 5.105 4.340 0.000 0.000 0.271 100 R C -0.582 175.849 176.300 0.218 0.000 0.993 100 R CA -0.810 55.326 56.100 0.061 0.000 0.931 100 R CB 1.907 32.246 30.300 0.065 0.000 1.206 100 R HN 1.519 nan 8.270 nan 0.000 0.474 101 G N 1.478 110.346 108.800 0.115 0.000 2.699 101 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 101 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 101 G C -2.081 172.923 174.900 0.173 0.000 1.301 101 G CA -0.804 44.381 45.100 0.141 0.000 0.816 101 G HN 0.446 nan 8.290 nan 0.000 0.595 102 P HA 0.074 nan 4.420 nan 0.000 0.217 102 P C 0.652 177.822 177.300 -0.216 0.000 1.151 102 P CA 0.997 64.007 63.100 -0.149 0.000 0.828 102 P CB 0.098 31.549 31.700 -0.415 0.000 0.788 103 F N 1.504 121.397 119.950 -0.096 0.000 2.411 103 F HA 0.356 4.883 4.527 -0.000 0.000 0.350 103 F C -1.861 173.747 175.800 -0.320 0.000 1.114 103 F CA -2.780 55.052 58.000 -0.279 0.000 1.135 103 F CB 0.064 38.809 39.000 -0.426 0.000 1.120 103 F HN -0.223 nan 8.300 nan 0.000 0.495 104 P HA 0.055 nan 4.420 nan 0.000 0.265 104 P C -2.350 174.700 177.300 -0.417 0.000 1.222 104 P CA -0.742 61.792 63.100 -0.943 0.000 0.767 104 P CB -0.138 31.055 31.700 -0.847 0.000 0.801 105 P HA 0.242 nan 4.420 nan 0.000 0.276 105 P C -0.921 176.248 177.300 -0.219 0.000 1.252 105 P CA -0.241 62.728 63.100 -0.220 0.000 0.802 105 P CB 1.118 32.720 31.700 -0.163 0.000 1.035 106 V N 1.175 120.942 119.914 -0.245 0.000 2.971 106 V HA 0.359 4.479 4.120 0.000 0.000 0.309 106 V C -0.518 175.474 176.094 -0.172 0.000 1.130 106 V CA -0.525 61.657 62.300 -0.197 0.000 0.964 106 V CB 2.113 33.718 31.823 -0.364 0.000 1.029 106 V HN 0.585 nan 8.190 nan 0.000 0.427 107 W N 1.966 123.248 121.300 -0.030 0.000 2.640 107 W HA 0.303 4.963 4.660 0.000 0.000 0.271 107 W C 1.287 177.800 176.519 -0.009 0.000 1.218 107 W CA 0.126 57.460 57.345 -0.018 0.000 1.382 107 W CB 0.179 29.622 29.460 -0.027 0.000 1.067 107 W HN 0.593 nan 8.180 nan 0.000 0.590 108 N N 2.212 121.038 118.700 0.211 0.000 2.411 108 N HA -0.057 4.683 4.740 0.000 0.000 0.265 108 N C -1.742 173.847 175.510 0.132 0.000 1.266 108 N CA -0.371 52.763 53.050 0.141 0.000 0.889 108 N CB 1.235 39.783 38.487 0.101 0.000 1.069 108 N HN -0.124 nan 8.380 nan 0.000 0.476 109 P HA -0.178 nan 4.420 nan 0.000 0.216 109 P C 1.565 178.941 177.300 0.127 0.000 1.157 109 P CA 1.000 64.153 63.100 0.089 0.000 0.880 109 P CB 0.276 32.007 31.700 0.051 0.000 0.791 110 I N -0.926 119.703 120.570 0.099 0.000 2.202 110 I HA -0.167 4.003 4.170 0.000 0.000 0.242 110 I C 2.031 178.219 176.117 0.119 0.000 1.091 110 I CA 1.935 63.289 61.300 0.090 0.000 1.368 110 I CB -2.103 35.943 38.000 0.076 0.000 1.058 110 I HN 0.023 nan 8.210 nan 0.000 0.410 111 T N 0.340 114.974 114.554 0.133 0.000 2.788 111 T HA -0.238 4.112 4.350 0.000 0.000 0.268 111 T C 1.878 176.680 174.700 0.170 0.000 1.044 111 T CA 1.364 63.563 62.100 0.165 0.000 1.139 111 T CB -0.615 68.324 68.868 0.118 0.000 0.867 111 T HN 0.305 nan 8.240 nan 0.000 0.454 112 Y N 1.889 122.194 120.300 0.010 0.000 2.128 112 Y HA -0.113 4.437 4.550 0.000 0.000 0.284 112 Y C 2.033 177.949 175.900 0.028 0.000 1.154 112 Y CA 1.170 59.254 58.100 -0.026 0.000 1.149 112 Y CB -0.511 37.905 38.460 -0.073 0.000 0.976 112 Y HN 0.106 nan 8.280 nan 0.000 0.505 113 L N -0.160 121.155 121.223 0.153 0.000 2.042 113 L HA -0.240 4.100 4.340 0.000 0.000 0.210 113 L C 2.174 179.031 176.870 -0.021 0.000 1.076 113 L CA 1.815 56.684 54.840 0.048 0.000 0.749 113 L CB -0.644 41.449 42.059 0.057 0.000 0.893 113 L HN 0.248 nan 8.230 nan 0.000 0.432 114 D N -0.946 119.477 120.400 0.039 0.000 2.097 114 D HA -0.189 4.451 4.640 0.000 0.000 0.197 114 D C 2.194 178.513 176.300 0.033 0.000 0.984 114 D CA 1.228 55.258 54.000 0.050 0.000 0.826 114 D CB 0.047 40.910 40.800 0.106 0.000 0.973 114 D HN 0.297 nan 8.370 nan 0.000 0.460 115 H N -0.599 118.428 119.070 -0.072 0.000 2.321 115 H HA -0.117 4.439 4.556 0.000 0.000 0.300 115 H C 1.980 177.293 175.328 -0.025 0.000 1.087 115 H CA 1.426 57.452 56.048 -0.036 0.000 1.319 115 H CB -0.137 29.608 29.762 -0.029 0.000 1.379 115 H HN 0.178 nan 8.280 nan 0.000 0.501 116 N N 1.008 119.640 118.700 -0.114 0.000 2.069 116 N HA -0.173 4.567 4.740 0.000 0.000 0.191 116 N C 1.761 177.205 175.510 -0.109 0.000 1.031 116 N CA 1.383 54.306 53.050 -0.211 0.000 0.852 116 N CB -0.297 37.947 38.487 -0.404 0.000 1.018 116 N HN 0.281 nan 8.380 nan 0.000 0.423 117 N N -0.945 117.705 118.700 -0.084 0.000 2.188 117 N HA -0.189 4.551 4.740 0.000 0.000 0.184 117 N C 1.705 177.172 175.510 -0.072 0.000 1.018 117 N CA 0.895 53.901 53.050 -0.074 0.000 0.858 117 N CB -0.263 38.192 38.487 -0.053 0.000 0.989 117 N HN 0.308 nan 8.380 nan 0.000 0.426 118 F N 0.796 120.624 119.950 -0.204 0.000 2.046 118 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 118 F C 1.767 177.396 175.800 -0.284 0.000 1.123 118 F CA 1.688 59.499 58.000 -0.315 0.000 1.199 118 F CB -1.005 37.665 39.000 -0.549 0.000 0.972 118 F HN 0.063 nan 8.300 nan 0.000 0.474 119 W N 0.652 121.629 121.300 -0.540 0.000 2.358 119 W HA -0.091 4.569 4.660 0.000 0.000 0.303 119 W C 2.850 179.090 176.519 -0.464 0.000 1.208 119 W CA 1.498 58.465 57.345 -0.631 0.000 1.274 119 W CB -0.659 28.556 29.460 -0.408 0.000 1.138 119 W HN -0.042 nan 8.180 nan 0.000 0.515 120 R N 0.119 120.535 120.500 -0.139 0.000 2.083 120 R HA -0.163 4.177 4.340 0.000 0.000 0.237 120 R C 1.933 178.130 176.300 -0.172 0.000 1.137 120 R CA 2.257 58.264 56.100 -0.155 0.000 0.951 120 R CB -0.686 29.521 30.300 -0.154 0.000 0.851 120 R HN 0.039 nan 8.270 nan 0.000 0.434 121 T N 1.221 115.653 114.554 -0.204 0.000 2.821 121 T HA -0.106 4.244 4.350 0.000 0.000 0.267 121 T C 1.823 176.388 174.700 -0.225 0.000 1.046 121 T CA 1.289 63.278 62.100 -0.185 0.000 1.139 121 T CB -0.048 68.731 68.868 -0.150 0.000 0.871 121 T HN 0.164 nan 8.240 nan 0.000 0.454 122 M N 1.679 121.085 119.600 -0.324 0.000 2.082 122 M HA -0.123 4.357 4.480 0.000 0.000 0.258 122 M C 1.805 178.008 176.300 -0.163 0.000 1.069 122 M CA 1.560 56.706 55.300 -0.257 0.000 1.102 122 M CB -1.099 31.322 32.600 -0.299 0.000 1.336 122 M HN 0.190 nan 8.290 nan 0.000 0.404 123 D N 0.294 120.607 120.400 -0.144 0.000 2.149 123 D HA -0.107 4.533 4.640 0.000 0.000 0.201 123 D C 1.615 177.858 176.300 -0.095 0.000 0.972 123 D CA 0.940 54.874 54.000 -0.111 0.000 0.835 123 D CB -0.284 40.456 40.800 -0.100 0.000 0.966 123 D HN 0.282 nan 8.370 nan 0.000 0.476 124 D N 0.471 120.812 120.400 -0.098 0.000 2.092 124 D HA -0.130 4.510 4.640 0.000 0.000 0.193 124 D C 2.216 178.507 176.300 -0.015 0.000 0.994 124 D CA 0.878 54.842 54.000 -0.060 0.000 0.828 124 D CB -0.263 40.499 40.800 -0.063 0.000 0.963 124 D HN 0.236 nan 8.370 nan 0.000 0.450 125 M N 0.177 119.739 119.600 -0.063 0.000 2.117 125 M HA -0.053 4.427 4.480 0.000 0.000 0.262 125 M C 2.375 178.715 176.300 0.066 0.000 1.065 125 M CA 1.650 56.918 55.300 -0.052 0.000 1.114 125 M CB -0.540 31.774 32.600 -0.477 0.000 1.361 125 M HN 0.037 nan 8.290 nan 0.000 0.408 126 G N 0.413 109.196 108.800 -0.028 0.000 2.469 126 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 126 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 126 G C 1.621 176.525 174.900 0.006 0.000 1.136 126 G CA 0.747 45.836 45.100 -0.019 0.000 0.759 126 G HN 0.417 nan 8.290 nan 0.000 0.562 127 R N 0.090 120.589 120.500 -0.002 0.000 2.241 127 R HA -0.009 4.331 4.340 0.000 0.000 0.224 127 R C 1.794 178.105 176.300 0.018 0.000 1.101 127 R CA 0.857 56.950 56.100 -0.012 0.000 0.995 127 R CB 0.033 30.318 30.300 -0.024 0.000 0.870 127 R HN 0.270 nan 8.270 nan 0.000 0.463 128 E N 0.235 120.488 120.200 0.089 0.000 2.489 128 E HA 0.077 4.427 4.350 0.000 0.000 0.193 128 E C 0.117 176.749 176.600 0.053 0.000 1.057 128 E CA 0.395 56.843 56.400 0.080 0.000 0.866 128 E CB 0.380 30.169 29.700 0.148 0.000 0.916 128 E HN 0.323 nan 8.360 nan 0.000 0.500 129 I N 2.744 123.362 120.570 0.080 0.000 2.328 129 I HA 0.204 4.374 4.170 0.000 0.000 0.287 129 I C -2.410 173.711 176.117 0.006 0.000 1.012 129 I CA -2.373 58.969 61.300 0.070 0.000 1.195 129 I CB 1.487 39.597 38.000 0.183 0.000 1.350 129 I HN -0.335 nan 8.210 nan 0.000 0.464 130 P HA 0.123 nan 4.420 nan 0.000 0.267 130 P C 0.501 177.770 177.300 -0.050 0.000 1.205 130 P CA 0.131 63.162 63.100 -0.115 0.000 0.765 130 P CB 0.931 32.505 31.700 -0.209 0.000 0.828 131 S N 2.097 117.784 115.700 -0.022 0.000 2.383 131 S HA -0.169 4.301 4.470 0.000 0.000 0.229 131 S C 1.243 175.944 174.600 0.168 0.000 1.030 131 S CA 1.830 60.096 58.200 0.109 0.000 1.002 131 S CB -0.593 62.577 63.200 -0.049 0.000 0.829 131 S HN 0.676 nan 8.310 nan 0.000 0.467 132 D N 0.394 120.740 120.400 -0.089 0.000 2.339 132 D HA 0.285 4.925 4.640 0.000 0.000 0.217 132 D C 0.280 176.344 176.300 -0.393 0.000 1.050 132 D CA 0.332 54.231 54.000 -0.169 0.000 0.856 132 D CB 0.081 40.713 40.800 -0.279 0.000 0.922 132 D HN 0.277 nan 8.370 nan 0.000 0.518 133 A N 1.083 123.505 122.820 -0.663 0.000 3.330 133 A HA 0.341 4.661 4.320 0.000 0.000 0.256 133 A C -2.146 174.632 177.584 -1.343 0.000 1.185 133 A CA -0.745 50.395 52.037 -1.495 0.000 0.940 133 A CB 0.769 19.189 19.000 -0.967 0.000 1.397 133 A HN -0.103 nan 8.150 nan 0.000 0.678 134 P HA -0.188 nan 4.420 nan 0.000 0.219 134 P C 1.289 178.403 177.300 -0.311 0.000 1.146 134 P CA 1.596 64.404 63.100 -0.486 0.000 0.808 134 P CB -0.362 31.032 31.700 -0.510 0.000 0.779 135 W N 0.973 122.202 121.300 -0.119 0.000 2.538 135 W HA 0.067 4.727 4.660 0.000 0.000 0.254 135 W C 1.312 177.787 176.519 -0.075 0.000 1.249 135 W CA 0.460 57.754 57.345 -0.085 0.000 1.253 135 W CB -1.496 27.909 29.460 -0.091 0.000 1.130 135 W HN -0.090 nan 8.180 nan 0.000 0.618 136 K N 0.811 121.035 120.400 -0.294 0.000 2.404 136 K HA 0.308 4.628 4.320 0.000 0.000 0.194 136 K C 1.035 177.546 176.600 -0.149 0.000 1.023 136 K CA 0.193 56.377 56.287 -0.171 0.000 1.094 136 K CB -0.042 32.314 32.500 -0.240 0.000 0.841 136 K HN 0.101 nan 8.250 nan 0.000 0.523 137 A N 2.373 125.103 122.820 -0.151 0.000 2.531 137 A HA 0.070 4.390 4.320 0.000 0.000 0.236 137 A C -1.624 175.827 177.584 -0.223 0.000 1.062 137 A CA -0.955 50.982 52.037 -0.166 0.000 0.760 137 A CB 0.078 18.994 19.000 -0.139 0.000 0.995 137 A HN -0.008 nan 8.150 nan 0.000 0.501 138 P HA -0.129 nan 4.420 nan 0.000 0.216 138 P C 0.489 177.592 177.300 -0.327 0.000 1.150 138 P CA 1.237 64.196 63.100 -0.235 0.000 0.843 138 P CB 0.052 31.630 31.700 -0.203 0.000 0.787 139 L N -2.230 118.634 121.223 -0.599 0.000 2.984 139 L HA 0.354 4.694 4.340 0.000 0.000 0.246 139 L C 1.818 178.277 176.870 -0.684 0.000 1.268 139 L CA -0.324 54.067 54.840 -0.748 0.000 1.054 139 L CB -0.444 40.898 42.059 -1.194 0.000 1.393 139 L HN -0.102 nan 8.230 nan 0.000 0.532 140 A N 0.490 123.094 122.820 -0.359 0.000 1.892 140 A HA -0.216 4.104 4.320 0.000 0.000 0.218 140 A C 2.185 179.763 177.584 -0.010 0.000 1.188 140 A CA 1.730 53.696 52.037 -0.118 0.000 0.631 140 A CB -0.155 18.831 19.000 -0.023 0.000 0.822 140 A HN 0.509 nan 8.150 nan 0.000 0.447 141 E N -0.866 119.314 120.200 -0.033 0.000 2.031 141 E HA -0.233 4.117 4.350 0.000 0.000 0.193 141 E C 2.126 178.760 176.600 0.057 0.000 0.994 141 E CA 1.249 57.663 56.400 0.023 0.000 0.800 141 E CB -0.268 29.433 29.700 0.002 0.000 0.752 141 E HN 0.831 nan 8.360 nan 0.000 0.447 142 E N 0.189 120.394 120.200 0.008 0.000 2.070 142 E HA -0.214 4.136 4.350 0.000 0.000 0.197 142 E C 1.776 178.546 176.600 0.284 0.000 1.004 142 E CA 1.409 57.864 56.400 0.092 0.000 0.805 142 E CB -0.033 29.682 29.700 0.025 0.000 0.744 142 E HN 0.285 nan 8.360 nan 0.000 0.451 143 W N 0.850 122.192 121.300 0.071 0.000 2.436 143 W HA -0.021 4.639 4.660 0.000 0.000 0.284 143 W C 1.948 178.536 176.519 0.116 0.000 1.225 143 W CA 0.694 58.093 57.345 0.090 0.000 1.271 143 W CB -0.990 28.525 29.460 0.092 0.000 1.114 143 W HN 0.228 nan 8.180 nan 0.000 0.559 144 D N -0.287 120.311 120.400 0.331 0.000 2.277 144 D HA -0.119 4.521 4.640 0.000 0.000 0.208 144 D C 1.270 177.695 176.300 0.209 0.000 0.962 144 D CA 0.918 55.076 54.000 0.263 0.000 0.865 144 D CB -0.210 40.719 40.800 0.215 0.000 0.939 144 D HN -0.107 nan 8.370 nan 0.000 0.510 145 N N -0.544 118.265 118.700 0.181 0.000 2.383 145 N HA 0.102 4.842 4.740 0.000 0.000 0.192 145 N C -0.188 175.401 175.510 0.131 0.000 1.141 145 N CA 0.190 53.322 53.050 0.137 0.000 0.851 145 N CB 0.261 38.812 38.487 0.107 0.000 0.976 145 N HN 0.308 nan 8.380 nan 0.000 0.465 146 M N -0.004 119.690 119.600 0.157 0.000 2.456 146 M HA 0.214 4.694 4.480 0.000 0.000 0.324 146 M C 0.157 176.531 176.300 0.124 0.000 1.124 146 M CA -0.623 54.753 55.300 0.126 0.000 0.959 146 M CB 2.091 34.770 32.600 0.132 0.000 1.692 146 M HN -0.031 nan 8.290 nan 0.000 0.444 147 T N -0.533 114.074 114.554 0.089 0.000 2.849 147 T HA 0.245 4.595 4.350 0.000 0.000 0.284 147 T C 1.164 175.886 174.700 0.036 0.000 1.004 147 T CA -0.833 61.312 62.100 0.076 0.000 1.021 147 T CB 0.871 69.775 68.868 0.060 0.000 1.013 147 T HN 0.612 nan 8.240 nan 0.000 0.527 148 M N 0.330 119.927 119.600 -0.005 0.000 2.213 148 M HA -0.027 4.453 4.480 0.000 0.000 0.263 148 M C 2.183 178.425 176.300 -0.095 0.000 1.062 148 M CA 1.533 56.781 55.300 -0.088 0.000 1.105 148 M CB -1.287 31.158 32.600 -0.259 0.000 1.385 148 M HN 0.858 nan 8.290 nan 0.000 0.417 149 K N 0.609 120.968 120.400 -0.068 0.000 2.026 149 K HA -0.192 4.128 4.320 0.000 0.000 0.208 149 K C 1.713 178.285 176.600 -0.047 0.000 1.048 149 K CA 1.655 57.911 56.287 -0.053 0.000 0.929 149 K CB 0.009 32.514 32.500 0.007 0.000 0.713 149 K HN 0.393 nan 8.250 nan 0.000 0.439 150 E N 0.629 120.817 120.200 -0.020 0.000 2.058 150 E HA -0.234 4.116 4.350 0.000 0.000 0.194 150 E C 2.055 178.639 176.600 -0.028 0.000 0.997 150 E CA 1.237 57.626 56.400 -0.018 0.000 0.801 150 E CB -0.181 29.525 29.700 0.010 0.000 0.746 150 E HN 0.188 nan 8.360 nan 0.000 0.450 151 L N 1.173 122.381 121.223 -0.026 0.000 2.017 151 L HA -0.173 4.167 4.340 0.000 0.000 0.208 151 L C 2.098 178.944 176.870 -0.039 0.000 1.073 151 L CA 1.584 56.404 54.840 -0.034 0.000 0.745 151 L CB -0.399 41.632 42.059 -0.047 0.000 0.894 151 L HN 0.126 nan 8.230 nan 0.000 0.432 152 L N -0.814 120.371 121.223 -0.063 0.000 2.046 152 L HA -0.218 4.122 4.340 0.000 0.000 0.208 152 L C 2.254 179.054 176.870 -0.116 0.000 1.077 152 L CA 1.321 56.099 54.840 -0.103 0.000 0.747 152 L CB -0.977 40.979 42.059 -0.171 0.000 0.896 152 L HN 0.281 nan 8.230 nan 0.000 0.432 153 D N 0.415 120.751 120.400 -0.107 0.000 2.149 153 D HA -0.167 4.473 4.640 0.000 0.000 0.198 153 D C 2.209 178.419 176.300 -0.149 0.000 0.990 153 D CA 1.264 55.187 54.000 -0.128 0.000 0.839 153 D CB -0.005 40.732 40.800 -0.105 0.000 0.948 153 D HN 0.312 nan 8.370 nan 0.000 0.460 154 K N -0.223 120.120 120.400 -0.095 0.000 2.062 154 K HA 0.021 4.341 4.320 0.000 0.000 0.205 154 K C 1.963 178.551 176.600 -0.020 0.000 1.051 154 K CA 0.307 56.551 56.287 -0.071 0.000 0.941 154 K CB 0.221 32.714 32.500 -0.012 0.000 0.719 154 K HN 0.070 nan 8.250 nan 0.000 0.440 155 L N 0.609 121.841 121.223 0.015 0.000 2.249 155 L HA 0.010 4.350 4.340 0.000 0.000 0.207 155 L C 0.478 177.452 176.870 0.173 0.000 1.090 155 L CA 0.719 55.627 54.840 0.114 0.000 0.802 155 L CB -0.051 42.066 42.059 0.097 0.000 0.947 155 L HN 0.179 nan 8.230 nan 0.000 0.453 156 C N -0.509 118.804 119.300 0.022 0.000 2.281 156 C HA 0.129 4.589 4.460 0.000 0.000 0.336 156 C C 0.988 175.989 174.990 0.017 0.000 1.217 156 C CA -0.956 58.061 59.018 -0.000 0.000 1.730 156 C CB -0.860 26.769 27.740 -0.186 0.000 2.338 156 C HN 0.472 nan 8.230 nan 0.000 0.521 157 W N 1.862 123.122 121.300 -0.066 0.000 3.197 157 W HA 0.138 4.798 4.660 0.000 0.000 0.274 157 W C 1.401 177.901 176.519 -0.033 0.000 1.297 157 W CA 0.096 57.418 57.345 -0.039 0.000 1.662 157 W CB -0.076 29.372 29.460 -0.019 0.000 1.106 157 W HN 0.683 nan 8.180 nan 0.000 0.663 158 T N -3.611 111.020 114.554 0.128 0.000 2.887 158 T HA 0.293 4.643 4.350 0.000 0.000 0.288 158 T C 0.839 175.535 174.700 -0.006 0.000 1.021 158 T CA -0.626 61.517 62.100 0.072 0.000 1.000 158 T CB 2.581 71.514 68.868 0.108 0.000 1.034 158 T HN -0.231 nan 8.240 nan 0.000 0.467 159 E N 1.136 121.334 120.200 -0.003 0.000 2.153 159 E HA -0.111 4.239 4.350 0.000 0.000 0.194 159 E C 2.125 178.714 176.600 -0.019 0.000 0.988 159 E CA 1.258 57.642 56.400 -0.026 0.000 0.811 159 E CB -0.415 29.279 29.700 -0.011 0.000 0.746 159 E HN 0.740 nan 8.360 nan 0.000 0.466 160 S N 0.498 116.222 115.700 0.041 0.000 2.353 160 S HA -0.189 4.281 4.470 0.000 0.000 0.222 160 S C 2.072 176.691 174.600 0.031 0.000 1.035 160 S CA 1.630 59.905 58.200 0.126 0.000 1.025 160 S CB -0.099 63.253 63.200 0.253 0.000 0.902 160 S HN 0.305 nan 8.310 nan 0.000 0.440 161 A N 1.274 123.981 122.820 -0.189 0.000 1.898 161 A HA -0.058 4.262 4.320 0.000 0.000 0.216 161 A C 2.181 179.413 177.584 -0.587 0.000 1.181 161 A CA 1.808 53.415 52.037 -0.716 0.000 0.620 161 A CB -0.750 17.887 19.000 -0.606 0.000 0.819 161 A HN 0.646 nan 8.150 nan 0.000 0.442 162 K N -0.520 119.661 120.400 -0.365 0.000 2.057 162 K HA -0.217 4.103 4.320 0.000 0.000 0.207 162 K C 2.237 178.678 176.600 -0.265 0.000 1.049 162 K CA 1.766 57.851 56.287 -0.336 0.000 0.931 162 K CB -0.189 32.185 32.500 -0.210 0.000 0.714 162 K HN 0.632 nan 8.250 nan 0.000 0.440 163 Q N 0.256 119.963 119.800 -0.155 0.000 2.084 163 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 163 Q C 2.103 178.080 176.000 -0.038 0.000 0.978 163 Q CA 1.324 57.091 55.803 -0.060 0.000 0.844 163 Q CB -0.076 28.669 28.738 0.013 0.000 0.898 163 Q HN 0.225 nan 8.270 nan 0.000 0.426 164 L N 0.407 121.591 121.223 -0.064 0.000 2.056 164 L HA -0.051 4.289 4.340 0.000 0.000 0.207 164 L C 2.105 178.909 176.870 -0.110 0.000 1.078 164 L CA 1.933 56.777 54.840 0.008 0.000 0.749 164 L CB -0.790 41.322 42.059 0.087 0.000 0.901 164 L HN 0.124 nan 8.230 nan 0.000 0.433 165 A N -1.467 121.060 122.820 -0.488 0.000 1.908 165 A HA -0.216 4.104 4.320 0.000 0.000 0.218 165 A C 2.260 179.725 177.584 -0.199 0.000 1.181 165 A CA 2.359 54.005 52.037 -0.652 0.000 0.627 165 A CB -1.226 16.899 19.000 -1.459 0.000 0.818 165 A HN 0.510 nan 8.150 nan 0.000 0.445 166 T N 0.088 114.524 114.554 -0.197 0.000 2.708 166 T HA -0.130 4.220 4.350 0.000 0.000 0.266 166 T C 1.872 176.550 174.700 -0.038 0.000 1.037 166 T CA 1.377 63.401 62.100 -0.126 0.000 1.146 166 T CB -0.419 68.389 68.868 -0.099 0.000 0.865 166 T HN 0.410 nan 8.240 nan 0.000 0.435 167 L N 0.330 121.580 121.223 0.045 0.000 2.012 167 L HA -0.101 4.239 4.340 0.000 0.000 0.210 167 L C 2.254 179.227 176.870 0.172 0.000 1.073 167 L CA 1.602 56.515 54.840 0.121 0.000 0.748 167 L CB -0.437 41.732 42.059 0.183 0.000 0.891 167 L HN 0.206 nan 8.230 nan 0.000 0.431 168 F N -0.101 119.894 119.950 0.076 0.000 2.091 168 F HA -0.255 4.272 4.527 0.000 0.000 0.299 168 F C 2.091 177.984 175.800 0.154 0.000 1.103 168 F CA 2.173 60.280 58.000 0.177 0.000 1.228 168 F CB -0.856 38.325 39.000 0.302 0.000 0.984 168 F HN -0.096 nan 8.300 nan 0.000 0.477 169 V N 1.040 120.812 119.914 -0.236 0.000 2.307 169 V HA -0.341 3.779 4.120 0.000 0.000 0.245 169 V C 2.099 178.040 176.094 -0.256 0.000 1.045 169 V CA 2.383 64.380 62.300 -0.506 0.000 1.024 169 V CB -1.063 30.336 31.823 -0.706 0.000 0.651 169 V HN 0.409 nan 8.190 nan 0.000 0.449 170 N N 0.141 118.745 118.700 -0.161 0.000 2.094 170 N HA -0.229 4.511 4.740 0.000 0.000 0.191 170 N C 1.741 177.200 175.510 -0.086 0.000 1.023 170 N CA 1.412 54.395 53.050 -0.112 0.000 0.857 170 N CB -0.228 38.240 38.487 -0.033 0.000 1.013 170 N HN 0.328 nan 8.380 nan 0.000 0.426 171 L N 0.618 121.832 121.223 -0.015 0.000 2.109 171 L HA 0.011 4.351 4.340 0.000 0.000 0.207 171 L C 2.309 179.214 176.870 0.057 0.000 1.086 171 L CA 1.297 56.155 54.840 0.030 0.000 0.760 171 L CB -0.737 41.356 42.059 0.057 0.000 0.910 171 L HN 0.259 nan 8.230 nan 0.000 0.437 172 C N -1.196 118.115 119.300 0.019 0.000 2.466 172 C HA 0.016 4.476 4.460 0.000 0.000 0.278 172 C C 2.193 177.226 174.990 0.072 0.000 1.288 172 C CA 1.029 60.098 59.018 0.087 0.000 1.722 172 C CB -0.534 27.157 27.740 -0.081 0.000 2.017 172 C HN 0.523 nan 8.230 nan 0.000 0.488 173 V N -1.316 118.554 119.914 -0.073 0.000 3.166 173 V HA 0.327 4.447 4.120 0.000 0.000 0.332 173 V C 0.734 176.669 176.094 -0.265 0.000 1.434 173 V CA 0.970 63.189 62.300 -0.135 0.000 1.121 173 V CB -1.245 30.628 31.823 0.085 0.000 1.062 173 V HN 0.619 nan 8.190 nan 0.000 0.489 174 T N -1.462 112.854 114.554 -0.396 0.000 3.760 174 T HA -0.092 4.258 4.350 0.000 0.000 0.366 174 T C 0.143 174.674 174.700 -0.282 0.000 0.761 174 T CA 1.344 63.208 62.100 -0.394 0.000 1.887 174 T CB -2.550 65.963 68.868 -0.591 0.000 1.811 174 T HN 2.433 nan 8.240 nan 0.000 0.749 175 A N -0.294 122.345 122.820 -0.303 0.000 2.594 175 A HA 0.736 5.056 4.320 0.000 0.000 0.291 175 A C -0.391 176.972 177.584 -0.369 0.000 1.105 175 A CA -1.070 50.713 52.037 -0.423 0.000 0.694 175 A CB 1.228 19.747 19.000 -0.801 0.000 1.291 175 A HN 0.348 nan 8.150 nan 0.000 0.410 176 E N 0.425 120.362 120.200 -0.437 0.000 2.374 176 E HA 0.245 4.595 4.350 0.000 0.000 0.260 176 E C 1.226 177.509 176.600 -0.528 0.000 1.101 176 E CA 0.517 56.629 56.400 -0.481 0.000 0.907 176 E CB 0.817 30.059 29.700 -0.763 0.000 1.014 176 E HN 0.798 nan 8.360 nan 0.000 0.427 177 T N -1.457 112.861 114.554 -0.394 0.000 2.833 177 T HA -0.194 4.156 4.350 0.000 0.000 0.269 177 T C 1.424 175.987 174.700 -0.228 0.000 1.054 177 T CA 1.604 63.524 62.100 -0.299 0.000 1.135 177 T CB -0.373 68.370 68.868 -0.209 0.000 0.869 177 T HN 0.616 nan 8.240 nan 0.000 0.466 178 H N 0.537 119.538 119.070 -0.116 0.000 2.555 178 H HA 0.270 4.826 4.556 -0.000 0.000 0.269 178 H C 1.415 176.706 175.328 -0.062 0.000 0.988 178 H CA 0.710 56.711 56.048 -0.077 0.000 1.178 178 H CB -0.170 29.549 29.762 -0.072 0.000 1.373 178 H HN 0.502 nan 8.280 nan 0.000 0.588 179 E N 1.305 121.290 120.200 -0.359 0.000 2.318 179 E HA 0.052 4.402 4.350 0.000 0.000 0.193 179 E C 0.739 177.290 176.600 -0.081 0.000 0.998 179 E CA 0.390 56.664 56.400 -0.211 0.000 0.859 179 E CB 0.862 30.290 29.700 -0.454 0.000 0.812 179 E HN 0.358 nan 8.360 nan 0.000 0.492 180 V N -1.088 118.771 119.914 -0.091 0.000 2.667 180 V HA 0.429 4.549 4.120 0.000 0.000 0.308 180 V C -0.011 176.211 176.094 0.213 0.000 1.048 180 V CA -1.178 61.182 62.300 0.100 0.000 0.928 180 V CB 1.845 33.764 31.823 0.160 0.000 1.004 180 V HN -0.035 nan 8.190 nan 0.000 0.444 181 S N 3.174 119.079 115.700 0.343 0.000 2.549 181 S HA 0.440 4.910 4.470 0.000 0.000 0.286 181 S C 1.427 176.268 174.600 0.401 0.000 1.314 181 S CA 0.203 58.618 58.200 0.357 0.000 1.062 181 S CB 0.952 64.403 63.200 0.417 0.000 0.865 181 S HN 1.752 nan 8.310 nan 0.000 0.498 182 A N 4.864 127.852 122.820 0.280 0.000 1.898 182 A HA -0.012 4.308 4.320 0.000 0.000 0.216 182 A C 2.020 179.779 177.584 0.293 0.000 1.181 182 A CA 1.534 53.710 52.037 0.231 0.000 0.620 182 A CB -0.921 18.141 19.000 0.103 0.000 0.819 182 A HN 0.951 nan 8.150 nan 0.000 0.442 183 L N -1.387 120.053 121.223 0.362 0.000 2.012 183 L HA -0.176 4.164 4.340 0.000 0.000 0.210 183 L C 2.236 179.344 176.870 0.396 0.000 1.073 183 L CA 2.603 57.690 54.840 0.411 0.000 0.748 183 L CB -0.796 41.508 42.059 0.408 0.000 0.891 183 L HN 0.663 nan 8.230 nan 0.000 0.431 184 W N -0.619 120.843 121.300 0.271 0.000 2.358 184 W HA -0.283 4.377 4.660 0.000 0.000 0.303 184 W C 2.356 179.131 176.519 0.427 0.000 1.208 184 W CA 1.915 59.437 57.345 0.296 0.000 1.274 184 W CB -0.673 28.938 29.460 0.253 0.000 1.138 184 W HN 0.290 nan 8.180 nan 0.000 0.515 185 F N 0.758 120.768 119.950 0.101 0.000 2.134 185 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 185 F C 2.088 177.794 175.800 -0.157 0.000 1.097 185 F CA 2.161 60.019 58.000 -0.236 0.000 1.264 185 F CB -0.657 38.322 39.000 -0.035 0.000 1.001 185 F HN -0.171 nan 8.300 nan 0.000 0.479 186 L N -1.349 119.895 121.223 0.036 0.000 2.083 186 L HA -0.207 4.133 4.340 0.000 0.000 0.209 186 L C 2.283 179.091 176.870 -0.102 0.000 1.083 186 L CA 1.576 56.384 54.840 -0.053 0.000 0.752 186 L CB -0.993 41.064 42.059 -0.003 0.000 0.899 186 L HN 0.442 nan 8.230 nan 0.000 0.433 187 W N 0.085 121.268 121.300 -0.194 0.000 2.355 187 W HA -0.311 4.349 4.660 0.000 0.000 0.309 187 W C 2.638 178.954 176.519 -0.339 0.000 1.206 187 W CA 1.577 58.790 57.345 -0.220 0.000 1.284 187 W CB -0.661 28.701 29.460 -0.164 0.000 1.145 187 W HN 0.105 nan 8.180 nan 0.000 0.502 188 Y N 0.678 120.527 120.300 -0.752 0.000 2.114 188 Y HA -0.323 4.226 4.550 -0.000 0.000 0.282 188 Y C 2.386 177.739 175.900 -0.912 0.000 1.165 188 Y CA 3.129 60.581 58.100 -1.080 0.000 1.148 188 Y CB -0.827 36.958 38.460 -1.126 0.000 0.972 188 Y HN -0.137 nan 8.280 nan 0.000 0.504 189 V N 0.992 120.514 119.914 -0.653 0.000 2.307 189 V HA -0.290 3.830 4.120 0.000 0.000 0.245 189 V C 2.506 178.287 176.094 -0.523 0.000 1.045 189 V CA 2.230 64.224 62.300 -0.510 0.000 1.024 189 V CB -0.704 30.912 31.823 -0.344 0.000 0.651 189 V HN 0.332 nan 8.190 nan 0.000 0.449 190 K N 1.143 121.253 120.400 -0.484 0.000 2.057 190 K HA -0.255 4.065 4.320 0.000 0.000 0.207 190 K C 2.140 178.415 176.600 -0.541 0.000 1.049 190 K CA 2.278 58.318 56.287 -0.413 0.000 0.931 190 K CB -0.184 32.145 32.500 -0.285 0.000 0.714 190 K HN 0.713 nan 8.250 nan 0.000 0.440 191 Q N -0.745 118.579 119.800 -0.792 0.000 2.482 191 Q HA -0.003 4.337 4.340 0.000 0.000 0.209 191 Q C 1.514 176.995 176.000 -0.866 0.000 0.961 191 Q CA 0.998 56.330 55.803 -0.786 0.000 0.945 191 Q CB -0.522 27.570 28.738 -1.077 0.000 1.012 191 Q HN 0.160 nan 8.270 nan 0.000 0.515 192 C N -0.210 118.434 119.300 -1.093 0.000 2.791 192 C HA 0.608 5.068 4.460 0.000 0.000 0.270 192 C C 1.570 175.796 174.990 -1.274 0.000 1.257 192 C CA 0.234 58.198 59.018 -1.756 0.000 1.699 192 C CB -0.743 25.945 27.740 -1.752 0.000 1.904 192 C HN 0.828 nan 8.230 nan 0.000 0.603 193 G N -0.097 108.301 108.800 -0.670 0.000 2.163 193 G HA2 0.314 4.274 3.960 0.000 0.000 0.213 193 G HA3 0.314 4.274 3.960 0.000 0.000 0.213 193 G C 0.444 175.179 174.900 -0.276 0.000 0.991 193 G CA -0.012 44.869 45.100 -0.365 0.000 0.653 193 G HN 1.607 nan 8.290 nan 0.000 0.518 194 G N -1.898 106.714 108.800 -0.314 0.000 2.592 194 G HA2 0.332 4.292 3.960 0.000 0.000 0.684 194 G HA3 0.332 4.292 3.960 0.000 0.000 0.684 194 G C 1.038 175.865 174.900 -0.122 0.000 1.291 194 G CA 1.009 45.994 45.100 -0.191 0.000 0.891 194 G HN 1.834 nan 8.290 nan 0.000 0.544 195 T N -2.944 111.588 114.554 -0.036 0.000 2.708 195 T HA -0.117 4.233 4.350 0.000 0.000 0.266 195 T C 2.360 176.998 174.700 -0.103 0.000 1.037 195 T CA 3.022 65.130 62.100 0.012 0.000 1.146 195 T CB -0.915 68.039 68.868 0.144 0.000 0.865 195 T HN 1.007 nan 8.240 nan 0.000 0.435 196 T N 1.383 115.918 114.554 -0.032 0.000 2.684 196 T HA -0.062 4.288 4.350 0.000 0.000 0.267 196 T C 2.135 176.747 174.700 -0.147 0.000 1.036 196 T CA 1.614 63.652 62.100 -0.104 0.000 1.148 196 T CB -0.352 68.545 68.868 0.048 0.000 0.863 196 T HN 0.308 nan 8.240 nan 0.000 0.436 197 R N 0.888 121.337 120.500 -0.086 0.000 2.081 197 R HA 0.118 4.458 4.340 0.000 0.000 0.235 197 R C 2.206 178.511 176.300 0.008 0.000 1.131 197 R CA 1.241 57.320 56.100 -0.034 0.000 0.960 197 R CB -0.849 29.426 30.300 -0.042 0.000 0.856 197 R HN 0.468 nan 8.270 nan 0.000 0.436 198 I N 0.332 120.870 120.570 -0.053 0.000 2.439 198 I HA -0.130 4.040 4.170 0.000 0.000 0.251 198 I C 1.649 177.812 176.117 0.077 0.000 1.139 198 I CA 1.071 62.396 61.300 0.042 0.000 1.438 198 I CB 0.088 38.093 38.000 0.008 0.000 1.085 198 I HN 0.338 nan 8.210 nan 0.000 0.427 199 I N -2.698 117.830 120.570 -0.069 0.000 3.603 199 I HA 0.143 4.313 4.170 0.000 0.000 0.297 199 I C 0.673 176.675 176.117 -0.192 0.000 1.269 199 I CA -0.046 61.159 61.300 -0.158 0.000 1.361 199 I CB -0.056 37.693 38.000 -0.419 0.000 1.063 199 I HN -0.096 nan 8.210 nan 0.000 0.448 200 S N 1.342 116.942 115.700 -0.168 0.000 2.565 200 S HA 0.284 4.754 4.470 0.000 0.000 0.274 200 S C 0.906 175.457 174.600 -0.082 0.000 1.309 200 S CA -0.355 57.759 58.200 -0.144 0.000 1.043 200 S CB 1.744 64.864 63.200 -0.133 0.000 0.939 200 S HN 0.293 nan 8.310 nan 0.000 0.504 201 T N 2.396 116.905 114.554 -0.076 0.000 2.824 201 T HA 0.019 4.369 4.350 0.000 0.000 0.238 201 T C 0.598 175.258 174.700 -0.067 0.000 1.067 201 T CA 0.656 62.711 62.100 -0.076 0.000 1.286 201 T CB -0.362 68.464 68.868 -0.070 0.000 0.980 201 T HN 0.612 nan 8.240 nan 0.000 0.414 202 T N 3.396 117.917 114.554 -0.056 0.000 2.871 202 T HA 0.054 4.404 4.350 0.000 0.000 0.296 202 T C 0.472 175.145 174.700 -0.044 0.000 0.998 202 T CA 0.127 62.201 62.100 -0.044 0.000 1.162 202 T CB -0.124 68.725 68.868 -0.032 0.000 0.947 202 T HN 0.408 nan 8.240 nan 0.000 0.536 203 N N 0.391 119.068 118.700 -0.039 0.000 2.878 203 N HA -0.135 4.605 4.740 0.000 0.000 0.247 203 N C 0.275 175.771 175.510 -0.025 0.000 1.021 203 N CA 1.414 54.447 53.050 -0.029 0.000 0.873 203 N CB -1.325 37.149 38.487 -0.021 0.000 1.128 203 N HN 0.857 nan 8.380 nan 0.000 0.571 204 G N -1.719 107.059 108.800 -0.036 0.000 2.975 204 G HA2 0.586 4.546 3.960 0.000 0.000 0.291 204 G HA3 0.586 4.546 3.960 0.000 0.000 0.291 204 G C 0.899 175.776 174.900 -0.037 0.000 1.334 204 G CA 0.067 45.163 45.100 -0.007 0.000 0.843 204 G HN 0.091 nan 8.290 nan 0.000 0.548 205 G N -0.898 107.918 108.800 0.027 0.000 2.479 205 G HA2 -0.046 3.914 3.960 0.000 0.000 0.220 205 G HA3 -0.046 3.914 3.960 0.000 0.000 0.220 205 G C 1.201 176.050 174.900 -0.085 0.000 1.115 205 G CA 1.041 46.077 45.100 -0.108 0.000 0.757 205 G HN 0.413 nan 8.290 nan 0.000 0.560 206 Q N -0.475 119.277 119.800 -0.080 0.000 2.204 206 Q HA 0.268 4.608 4.340 0.000 0.000 0.209 206 Q C 1.708 177.641 176.000 -0.111 0.000 0.861 206 Q CA -0.093 55.612 55.803 -0.164 0.000 0.971 206 Q CB 0.663 29.214 28.738 -0.313 0.000 1.095 206 Q HN 0.636 nan 8.270 nan 0.000 0.486 207 E N 0.493 120.634 120.200 -0.097 0.000 2.110 207 E HA -0.100 4.250 4.350 0.000 0.000 0.193 207 E C -0.039 176.492 176.600 -0.115 0.000 0.988 207 E CA 0.811 57.154 56.400 -0.096 0.000 0.804 207 E CB 0.415 30.055 29.700 -0.100 0.000 0.745 207 E HN 0.157 nan 8.360 nan 0.000 0.458 208 R N -0.994 119.416 120.500 -0.150 0.000 2.836 208 R HA 0.478 4.818 4.340 0.000 0.000 0.269 208 R C -1.072 175.007 176.300 -0.367 0.000 1.010 208 R CA -0.744 55.180 56.100 -0.294 0.000 0.930 208 R CB 1.993 32.099 30.300 -0.323 0.000 1.218 208 R HN -0.181 nan 8.270 nan 0.000 0.473 209 K N 0.536 120.552 120.400 -0.640 0.000 2.444 209 K HA 0.426 4.746 4.320 0.000 0.000 0.252 209 K C -1.203 175.088 176.600 -0.515 0.000 0.993 209 K CA -0.709 55.220 56.287 -0.596 0.000 0.847 209 K CB 1.680 33.883 32.500 -0.494 0.000 1.340 209 K HN 0.242 nan 8.250 nan 0.000 0.446 210 F N 1.188 121.083 119.950 -0.091 0.000 2.427 210 F HA 0.137 4.664 4.527 0.000 0.000 0.352 210 F C 0.519 176.376 175.800 0.095 0.000 1.100 210 F CA -0.900 57.092 58.000 -0.014 0.000 1.191 210 F CB 0.917 39.884 39.000 -0.056 0.000 1.128 210 F HN 0.015 nan 8.300 nan 0.000 0.533 211 V N 3.900 124.016 119.914 0.337 0.000 2.493 211 V HA 0.189 4.309 4.120 0.000 0.000 0.292 211 V C 0.963 176.945 176.094 -0.186 0.000 1.016 211 V CA 1.288 63.696 62.300 0.180 0.000 1.097 211 V CB 0.074 31.985 31.823 0.146 0.000 0.947 211 V HN 1.115 nan 8.190 nan 0.000 0.479 212 G N 3.302 111.576 108.800 -0.877 0.000 2.195 212 G HA2 0.138 4.098 3.960 0.000 0.000 0.246 212 G HA3 0.138 4.098 3.960 0.000 0.000 0.246 212 G C 0.793 175.177 174.900 -0.859 0.000 0.984 212 G CA -0.061 44.259 45.100 -1.299 0.000 0.633 212 G HN 2.439 nan 8.290 nan 0.000 0.525 213 G N -1.463 107.115 108.800 -0.371 0.000 2.650 213 G HA2 0.367 4.327 3.960 0.000 0.000 0.686 213 G HA3 0.367 4.327 3.960 0.000 0.000 0.686 213 G C 0.818 175.729 174.900 0.018 0.000 1.205 213 G CA 0.846 45.925 45.100 -0.035 0.000 0.781 213 G HN 1.876 nan 8.290 nan 0.000 0.648 214 S N 0.021 115.788 115.700 0.112 0.000 2.453 214 S HA 0.127 4.597 4.470 0.000 0.000 0.231 214 S C 2.549 177.137 174.600 -0.019 0.000 1.005 214 S CA 1.634 59.896 58.200 0.104 0.000 0.949 214 S CB -0.071 63.256 63.200 0.211 0.000 0.774 214 S HN 2.180 nan 8.310 nan 0.000 0.510 215 G N 1.417 110.221 108.800 0.006 0.000 2.462 215 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 215 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 215 G C 1.452 176.326 174.900 -0.042 0.000 1.121 215 G CA 0.698 45.806 45.100 0.013 0.000 0.758 215 G HN 0.630 nan 8.290 nan 0.000 0.559 216 Q N -0.239 119.501 119.800 -0.101 0.000 2.234 216 Q HA -0.070 4.270 4.340 0.000 0.000 0.206 216 Q C 2.757 178.664 176.000 -0.155 0.000 0.980 216 Q CA 1.038 56.762 55.803 -0.132 0.000 0.869 216 Q CB -0.190 28.444 28.738 -0.175 0.000 0.912 216 Q HN 0.440 nan 8.270 nan 0.000 0.436 217 V N 0.248 120.041 119.914 -0.201 0.000 2.233 217 V HA -0.294 3.826 4.120 0.000 0.000 0.247 217 V C 2.150 178.182 176.094 -0.103 0.000 1.050 217 V CA 2.160 64.344 62.300 -0.194 0.000 1.010 217 V CB -0.626 31.064 31.823 -0.222 0.000 0.637 217 V HN 0.299 nan 8.190 nan 0.000 0.444 218 S N -0.734 114.930 115.700 -0.060 0.000 2.368 218 S HA -0.196 4.274 4.470 0.000 0.000 0.224 218 S C 1.920 176.501 174.600 -0.031 0.000 1.029 218 S CA 1.501 59.684 58.200 -0.028 0.000 0.988 218 S CB -0.281 62.925 63.200 0.010 0.000 0.838 218 S HN 0.682 nan 8.310 nan 0.000 0.462 219 E N 0.994 121.175 120.200 -0.032 0.000 2.058 219 E HA -0.113 4.237 4.350 0.000 0.000 0.194 219 E C 2.347 178.919 176.600 -0.046 0.000 0.997 219 E CA 0.931 57.313 56.400 -0.030 0.000 0.801 219 E CB -0.089 29.593 29.700 -0.029 0.000 0.746 219 E HN 0.353 nan 8.360 nan 0.000 0.450 220 R N 0.174 120.635 120.500 -0.065 0.000 2.148 220 R HA -0.022 4.318 4.340 0.000 0.000 0.223 220 R C 2.316 178.578 176.300 -0.065 0.000 1.088 220 R CA 0.756 56.816 56.100 -0.067 0.000 0.985 220 R CB -0.134 30.116 30.300 -0.082 0.000 0.880 220 R HN 0.223 nan 8.270 nan 0.000 0.451 221 I N 0.615 121.146 120.570 -0.066 0.000 2.315 221 I HA -0.268 3.902 4.170 0.000 0.000 0.248 221 I C 2.647 178.717 176.117 -0.077 0.000 1.117 221 I CA 1.077 62.336 61.300 -0.069 0.000 1.404 221 I CB -0.175 37.789 38.000 -0.059 0.000 1.071 221 I HN 0.188 nan 8.210 nan 0.000 0.419 222 M N 0.938 120.501 119.600 -0.061 0.000 2.108 222 M HA -0.255 4.225 4.480 0.000 0.000 0.261 222 M C 1.639 177.903 176.300 -0.062 0.000 1.066 222 M CA 1.988 57.254 55.300 -0.058 0.000 1.107 222 M CB -0.207 32.371 32.600 -0.036 0.000 1.356 222 M HN 0.131 nan 8.290 nan 0.000 0.406 223 D N 0.714 121.081 120.400 -0.054 0.000 2.123 223 D HA -0.156 4.484 4.640 0.000 0.000 0.196 223 D C 2.057 178.321 176.300 -0.060 0.000 0.992 223 D CA 1.474 55.445 54.000 -0.048 0.000 0.833 223 D CB -0.482 40.293 40.800 -0.041 0.000 0.954 223 D HN 0.438 nan 8.370 nan 0.000 0.455 224 L N 0.056 121.232 121.223 -0.078 0.000 2.093 224 L HA -0.099 4.241 4.340 0.000 0.000 0.208 224 L C 2.400 179.160 176.870 -0.185 0.000 1.085 224 L CA 0.664 55.444 54.840 -0.100 0.000 0.755 224 L CB -0.241 41.760 42.059 -0.098 0.000 0.904 224 L HN 0.030 nan 8.230 nan 0.000 0.435 225 L N -1.126 119.970 121.223 -0.212 0.000 2.418 225 L HA 0.118 4.458 4.340 0.000 0.000 0.218 225 L C 1.709 178.493 176.870 -0.143 0.000 1.125 225 L CA 0.428 55.101 54.840 -0.279 0.000 0.835 225 L CB -0.759 41.165 42.059 -0.226 0.000 0.953 225 L HN 0.442 nan 8.230 nan 0.000 0.454 226 G N 1.945 110.692 108.800 -0.088 0.000 2.622 226 G HA2 -0.458 3.502 3.960 0.000 0.000 0.307 226 G HA3 -0.458 3.502 3.960 0.000 0.000 0.307 226 G C 0.600 175.482 174.900 -0.031 0.000 1.226 226 G CA 0.545 45.619 45.100 -0.044 0.000 0.997 226 G HN 0.510 nan 8.290 nan 0.000 0.551 227 D N 1.065 121.459 120.400 -0.011 0.000 2.378 227 D HA 0.008 4.648 4.640 0.000 0.000 0.227 227 D C 2.098 178.403 176.300 0.008 0.000 1.012 227 D CA 0.936 54.938 54.000 0.004 0.000 0.905 227 D CB -0.355 40.456 40.800 0.017 0.000 0.895 227 D HN 0.644 nan 8.370 nan 0.000 0.532 228 R N -0.051 120.444 120.500 -0.009 0.000 2.189 228 R HA 0.078 4.418 4.340 0.000 0.000 0.218 228 R C 0.381 176.663 176.300 -0.031 0.000 1.074 228 R CA 0.300 56.395 56.100 -0.008 0.000 0.991 228 R CB 0.207 30.493 30.300 -0.022 0.000 0.883 228 R HN 0.082 nan 8.270 nan 0.000 0.457 229 V N 3.081 122.971 119.914 -0.040 0.000 2.432 229 V HA 0.098 4.218 4.120 0.000 0.000 0.271 229 V C -0.055 176.017 176.094 -0.037 0.000 1.046 229 V CA -0.284 61.986 62.300 -0.048 0.000 0.945 229 V CB 1.246 33.041 31.823 -0.046 0.000 0.992 229 V HN 0.051 nan 8.190 nan 0.000 0.471 230 K N 6.560 126.925 120.400 -0.058 0.000 2.334 230 K HA 0.529 4.849 4.320 0.000 0.000 0.265 230 K C -0.669 175.903 176.600 -0.047 0.000 1.039 230 K CA -0.316 55.949 56.287 -0.038 0.000 0.920 230 K CB 1.788 34.256 32.500 -0.053 0.000 1.160 230 K HN 0.502 nan 8.250 nan 0.000 0.451 231 L N 1.640 122.848 121.223 -0.025 0.000 2.418 231 L HA 0.167 4.507 4.340 0.000 0.000 0.265 231 L C 0.738 177.591 176.870 -0.027 0.000 1.143 231 L CA -0.177 54.645 54.840 -0.031 0.000 0.809 231 L CB 0.227 42.277 42.059 -0.016 0.000 1.124 231 L HN 0.692 nan 8.230 nan 0.000 0.456 232 E N 0.580 120.752 120.200 -0.048 0.000 2.389 232 E HA -0.231 4.119 4.350 0.000 0.000 0.243 232 E C -0.476 176.104 176.600 -0.033 0.000 1.154 232 E CA 0.287 56.660 56.400 -0.044 0.000 0.723 232 E CB -0.857 28.837 29.700 -0.011 0.000 1.261 232 E HN 0.383 nan 8.360 nan 0.000 0.390 233 R N 0.236 120.698 120.500 -0.062 0.000 2.860 233 R HA 0.245 4.585 4.340 0.000 0.000 0.282 233 R C -2.687 173.558 176.300 -0.092 0.000 1.408 233 R CA -1.964 54.111 56.100 -0.042 0.000 1.636 233 R CB 0.571 30.845 30.300 -0.043 0.000 1.187 233 R HN -0.004 nan 8.270 nan 0.000 0.611 234 P HA 0.014 nan 4.420 nan 0.000 0.271 234 P C -0.318 176.965 177.300 -0.029 0.000 1.226 234 P CA -0.165 62.851 63.100 -0.140 0.000 0.765 234 P CB 0.936 32.566 31.700 -0.117 0.000 0.835 235 V N 5.514 125.411 119.914 -0.027 0.000 2.555 235 V HA 0.070 4.190 4.120 0.000 0.000 0.286 235 V C 1.690 177.807 176.094 0.038 0.000 1.044 235 V CA 0.407 62.709 62.300 0.003 0.000 1.026 235 V CB 0.374 32.184 31.823 -0.022 0.000 0.981 235 V HN 0.538 nan 8.190 nan 0.000 0.480 236 I N 1.781 122.384 120.570 0.056 0.000 4.323 236 I HA 0.453 4.623 4.170 0.000 0.000 0.328 236 I C -0.015 176.189 176.117 0.145 0.000 1.310 236 I CA 0.093 61.453 61.300 0.100 0.000 1.186 236 I CB 0.626 38.667 38.000 0.069 0.000 1.130 236 I HN 0.502 nan 8.210 nan 0.000 0.411 237 Y N 1.797 122.037 120.300 -0.100 0.000 2.436 237 Y HA 0.686 5.236 4.550 -0.000 0.000 0.327 237 Y C -1.921 173.888 175.900 -0.150 0.000 1.138 237 Y CA -1.472 56.547 58.100 -0.135 0.000 1.042 237 Y CB 1.636 40.040 38.460 -0.093 0.000 1.302 237 Y HN -0.015 nan 8.280 nan 0.000 0.439 238 I N 5.695 125.817 120.570 -0.747 0.000 2.447 238 I HA 0.305 4.475 4.170 0.000 0.000 0.287 238 I C -1.433 174.275 176.117 -0.682 0.000 1.023 238 I CA -0.696 60.264 61.300 -0.567 0.000 1.083 238 I CB 1.880 39.701 38.000 -0.298 0.000 1.245 238 I HN 0.532 nan 8.210 nan 0.000 0.434 239 D N 5.935 126.016 120.400 -0.531 0.000 2.425 239 D HA 0.281 4.921 4.640 0.000 0.000 0.240 239 D C -0.269 175.960 176.300 -0.119 0.000 1.080 239 D CA -0.215 53.583 54.000 -0.337 0.000 0.836 239 D CB 1.540 42.195 40.800 -0.242 0.000 1.125 239 D HN 0.486 nan 8.370 nan 0.000 0.525 240 Q N 1.759 121.526 119.800 -0.054 0.000 2.172 240 Q HA 0.080 4.420 4.340 0.000 0.000 0.217 240 Q C 1.140 177.134 176.000 -0.010 0.000 0.832 240 Q CA 0.013 55.802 55.803 -0.023 0.000 1.010 240 Q CB 0.782 29.519 28.738 -0.001 0.000 1.133 240 Q HN 0.583 nan 8.270 nan 0.000 0.489 241 T N -2.469 112.085 114.554 -0.001 0.000 3.085 241 T HA 0.094 4.444 4.350 0.000 0.000 0.263 241 T C 0.932 175.635 174.700 0.005 0.000 1.127 241 T CA 0.289 62.396 62.100 0.011 0.000 1.103 241 T CB 0.272 69.157 68.868 0.029 0.000 0.921 241 T HN 0.075 nan 8.240 nan 0.000 0.510 242 R N 0.112 120.611 120.500 -0.003 0.000 2.944 242 R HA 0.485 4.825 4.340 0.000 0.000 0.233 242 R C 1.421 177.708 176.300 -0.021 0.000 1.346 242 R CA -0.781 55.315 56.100 -0.006 0.000 1.082 242 R CB 0.776 31.076 30.300 0.000 0.000 1.434 242 R HN 0.089 nan 8.270 nan 0.000 0.510 243 E N 0.752 120.939 120.200 -0.022 0.000 2.058 243 E HA -0.155 4.195 4.350 0.000 0.000 0.194 243 E C -0.293 176.274 176.600 -0.056 0.000 0.997 243 E CA 1.252 57.631 56.400 -0.034 0.000 0.801 243 E CB 0.150 29.834 29.700 -0.026 0.000 0.746 243 E HN 0.292 nan 8.360 nan 0.000 0.450 244 N N 0.217 118.889 118.700 -0.047 0.000 2.456 244 N HA 0.180 4.920 4.740 0.000 0.000 0.296 244 N C -0.913 174.568 175.510 -0.049 0.000 1.102 244 N CA -0.387 52.627 53.050 -0.060 0.000 0.924 244 N CB 2.050 40.514 38.487 -0.038 0.000 1.186 244 N HN -0.140 nan 8.380 nan 0.000 0.492 245 V N 2.016 121.894 119.914 -0.060 0.000 2.637 245 V HA 0.169 4.289 4.120 0.000 0.000 0.296 245 V C 0.494 176.577 176.094 -0.019 0.000 1.046 245 V CA -0.255 62.019 62.300 -0.043 0.000 1.066 245 V CB 0.191 31.990 31.823 -0.040 0.000 0.968 245 V HN 0.371 nan 8.190 nan 0.000 0.483 246 L N 5.431 126.638 121.223 -0.027 0.000 2.296 246 L HA 0.597 4.937 4.340 0.000 0.000 0.286 246 L C -0.656 176.203 176.870 -0.020 0.000 1.023 246 L CA -0.548 54.292 54.840 0.001 0.000 0.812 246 L CB 1.846 43.919 42.059 0.023 0.000 1.223 246 L HN 0.374 nan 8.230 nan 0.000 0.421 247 V N 2.795 122.741 119.914 0.054 0.000 2.407 247 V HA 0.354 4.474 4.120 0.000 0.000 0.291 247 V C -0.257 175.930 176.094 0.154 0.000 1.018 247 V CA -0.628 61.706 62.300 0.058 0.000 0.842 247 V CB 1.753 33.608 31.823 0.053 0.000 0.996 247 V HN 0.722 nan 8.190 nan 0.000 0.426 248 E N 2.816 123.103 120.200 0.145 0.000 2.191 248 E HA 0.665 5.015 4.350 0.000 0.000 0.274 248 E C -0.276 176.399 176.600 0.124 0.000 0.948 248 E CA -0.451 56.046 56.400 0.162 0.000 0.802 248 E CB 1.845 31.652 29.700 0.178 0.000 1.137 248 E HN 0.840 nan 8.360 nan 0.000 0.397 249 T N 0.848 115.477 114.554 0.125 0.000 2.952 249 T HA 0.208 4.558 4.350 0.000 0.000 0.286 249 T C 0.902 175.638 174.700 0.059 0.000 1.024 249 T CA -0.845 61.311 62.100 0.094 0.000 1.029 249 T CB 1.134 70.082 68.868 0.134 0.000 1.094 249 T HN 0.423 nan 8.240 nan 0.000 0.515 250 L N 1.605 122.866 121.223 0.062 0.000 2.083 250 L HA 0.030 4.370 4.340 0.000 0.000 0.209 250 L C 1.842 178.802 176.870 0.150 0.000 1.083 250 L CA 2.055 56.940 54.840 0.076 0.000 0.752 250 L CB -1.157 40.953 42.059 0.086 0.000 0.899 250 L HN 0.935 nan 8.230 nan 0.000 0.433 251 N N -2.589 116.197 118.700 0.143 0.000 2.413 251 N HA -0.093 4.647 4.740 0.000 0.000 0.207 251 N C 0.151 175.809 175.510 0.247 0.000 1.206 251 N CA 0.270 53.423 53.050 0.172 0.000 0.832 251 N CB -0.431 38.115 38.487 0.099 0.000 1.037 251 N HN 0.453 nan 8.380 nan 0.000 0.467 252 H N -2.207 116.878 119.070 0.025 0.000 3.132 252 H HA -0.142 4.414 4.556 0.000 0.000 0.237 252 H C -0.809 174.521 175.328 0.005 0.000 1.189 252 H CA 0.675 56.728 56.048 0.009 0.000 1.129 252 H CB -1.364 28.394 29.762 -0.007 0.000 1.225 252 H HN 0.643 nan 8.280 nan 0.000 0.323 253 E N 0.423 120.687 120.200 0.106 0.000 2.283 253 E HA 0.442 4.792 4.350 0.000 0.000 0.271 253 E C 0.039 176.634 176.600 -0.008 0.000 1.031 253 E CA -0.566 55.845 56.400 0.018 0.000 0.868 253 E CB 1.349 31.085 29.700 0.061 0.000 1.094 253 E HN 0.044 nan 8.360 nan 0.000 0.401 254 M N 2.552 122.047 119.600 -0.174 0.000 2.321 254 M HA 0.348 4.828 4.480 0.000 0.000 0.315 254 M C -2.048 174.061 176.300 -0.318 0.000 1.052 254 M CA -0.405 54.831 55.300 -0.106 0.000 0.936 254 M CB 0.972 33.540 32.600 -0.053 0.000 1.639 254 M HN 0.385 nan 8.290 nan 0.000 0.433 255 Y N 1.619 121.926 120.300 0.012 0.000 2.446 255 Y HA 0.604 5.154 4.550 0.000 0.000 0.345 255 Y C -0.468 175.433 175.900 0.002 0.000 0.984 255 Y CA -0.654 57.450 58.100 0.007 0.000 1.058 255 Y CB 1.823 40.286 38.460 0.006 0.000 1.220 255 Y HN 0.598 nan 8.280 nan 0.000 0.455 256 E N 1.789 122.065 120.200 0.126 0.000 2.199 256 E HA 0.829 5.179 4.350 0.000 0.000 0.265 256 E C -1.526 175.112 176.600 0.063 0.000 0.882 256 E CA -0.676 55.762 56.400 0.064 0.000 0.759 256 E CB 1.249 30.963 29.700 0.023 0.000 1.148 256 E HN 0.763 nan 8.360 nan 0.000 0.412 257 A N 3.645 126.485 122.820 0.034 0.000 2.594 257 A HA 0.379 4.699 4.320 0.000 0.000 0.291 257 A C -0.015 177.544 177.584 -0.041 0.000 1.105 257 A CA -0.646 51.406 52.037 0.024 0.000 0.694 257 A CB 1.534 20.566 19.000 0.052 0.000 1.291 257 A HN 0.686 nan 8.150 nan 0.000 0.410 258 K N -0.730 119.633 120.400 -0.062 0.000 2.076 258 K HA 0.084 4.404 4.320 0.000 0.000 0.204 258 K C -0.623 175.650 176.600 -0.545 0.000 1.051 258 K CA 1.507 57.630 56.287 -0.274 0.000 0.949 258 K CB -0.081 32.311 32.500 -0.180 0.000 0.726 258 K HN 0.617 nan 8.250 nan 0.000 0.443 259 Y N -1.179 119.141 120.300 0.034 0.000 2.615 259 Y HA 0.402 4.952 4.550 0.000 0.000 0.341 259 Y C -0.582 175.342 175.900 0.040 0.000 1.089 259 Y CA -1.300 56.836 58.100 0.061 0.000 1.049 259 Y CB 1.802 40.297 38.460 0.058 0.000 1.296 259 Y HN -0.416 nan 8.280 nan 0.000 0.470 260 V N 2.967 123.016 119.914 0.225 0.000 2.735 260 V HA 0.482 4.603 4.120 0.000 0.000 0.310 260 V C -0.647 175.494 176.094 0.078 0.000 1.061 260 V CA -0.882 61.479 62.300 0.102 0.000 0.913 260 V CB 2.131 33.979 31.823 0.042 0.000 1.005 260 V HN 0.543 nan 8.190 nan 0.000 0.428 261 I N 2.731 123.318 120.570 0.028 0.000 2.339 261 I HA 0.342 4.512 4.170 0.000 0.000 0.290 261 I C 0.258 176.364 176.117 -0.019 0.000 0.994 261 I CA -0.155 61.141 61.300 -0.007 0.000 1.191 261 I CB 1.901 39.905 38.000 0.007 0.000 1.343 261 I HN 0.603 nan 8.210 nan 0.000 0.458 262 S N 5.431 121.091 115.700 -0.067 0.000 2.399 262 S HA 0.511 4.981 4.470 0.000 0.000 0.301 262 S C 0.451 175.138 174.600 0.144 0.000 1.093 262 S CA -0.468 57.768 58.200 0.061 0.000 1.077 262 S CB 0.521 63.804 63.200 0.139 0.000 0.980 262 S HN 0.715 nan 8.310 nan 0.000 0.494 263 A N 5.882 128.772 122.820 0.117 0.000 2.827 263 A HA 0.456 4.776 4.320 0.000 0.000 0.300 263 A C 0.361 178.024 177.584 0.132 0.000 1.237 263 A CA -0.674 51.437 52.037 0.123 0.000 0.964 263 A CB -0.550 18.498 19.000 0.080 0.000 1.143 263 A HN 0.907 nan 8.150 nan 0.000 0.554 264 I N -4.006 116.660 120.570 0.160 0.000 2.797 264 I HA 0.669 4.839 4.170 0.000 0.000 0.307 264 I C -2.918 173.295 176.117 0.160 0.000 1.033 264 I CA -3.104 58.288 61.300 0.152 0.000 1.071 264 I CB 1.447 39.538 38.000 0.152 0.000 1.255 264 I HN -0.165 nan 8.210 nan 0.000 0.445 265 P HA 0.116 nan 4.420 nan 0.000 0.264 265 P C -2.161 175.191 177.300 0.088 0.000 1.183 265 P CA -0.578 62.590 63.100 0.113 0.000 0.763 265 P CB -0.011 31.744 31.700 0.090 0.000 0.807 266 P HA -0.241 nan 4.420 nan 0.000 0.215 266 P C 1.631 178.912 177.300 -0.032 0.000 1.163 266 P CA 1.921 65.023 63.100 0.003 0.000 0.894 266 P CB -0.289 31.382 31.700 -0.048 0.000 0.791 267 T N -1.293 113.216 114.554 -0.075 0.000 2.881 267 T HA -0.084 4.266 4.350 0.000 0.000 0.270 267 T C 1.523 176.211 174.700 -0.019 0.000 1.068 267 T CA 0.782 62.828 62.100 -0.090 0.000 1.131 267 T CB -0.830 67.950 68.868 -0.147 0.000 0.871 267 T HN -0.036 nan 8.240 nan 0.000 0.479 268 L N 0.426 121.667 121.223 0.031 0.000 2.549 268 L HA 0.111 4.451 4.340 0.000 0.000 0.229 268 L C 2.786 179.727 176.870 0.119 0.000 1.158 268 L CA 0.696 55.583 54.840 0.078 0.000 0.842 268 L CB -0.761 41.371 42.059 0.121 0.000 0.952 268 L HN 0.351 nan 8.230 nan 0.000 0.452 269 G N -0.105 108.775 108.800 0.132 0.000 2.479 269 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 269 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 269 G C 1.601 176.636 174.900 0.225 0.000 1.115 269 G CA 0.261 45.498 45.100 0.229 0.000 0.757 269 G HN 0.162 nan 8.290 nan 0.000 0.560 270 M N 0.339 119.999 119.600 0.100 0.000 2.358 270 M HA 0.012 4.492 4.480 0.000 0.000 0.264 270 M C 2.091 178.399 176.300 0.014 0.000 1.064 270 M CA 0.963 56.290 55.300 0.045 0.000 1.093 270 M CB -0.473 32.117 32.600 -0.016 0.000 1.401 270 M HN 0.230 nan 8.290 nan 0.000 0.440 271 K N 0.123 120.556 120.400 0.054 0.000 2.504 271 K HA 0.139 4.459 4.320 0.000 0.000 0.195 271 K C 0.401 177.040 176.600 0.066 0.000 1.036 271 K CA 0.464 56.790 56.287 0.066 0.000 0.984 271 K CB 0.145 32.723 32.500 0.129 0.000 0.788 271 K HN 0.328 nan 8.250 nan 0.000 0.488 272 I N 1.250 121.820 120.570 -0.000 0.000 2.377 272 I HA 0.126 4.296 4.170 0.000 0.000 0.293 272 I C 0.132 176.082 176.117 -0.279 0.000 0.987 272 I CA -0.742 60.464 61.300 -0.158 0.000 1.185 272 I CB 1.323 39.079 38.000 -0.407 0.000 1.341 272 I HN 0.034 nan 8.210 nan 0.000 0.455 273 H N 6.058 125.015 119.070 -0.188 0.000 2.527 273 H HA 0.344 4.900 4.556 -0.000 0.000 0.321 273 H C -1.097 174.120 175.328 -0.185 0.000 1.087 273 H CA -0.188 55.847 56.048 -0.021 0.000 1.337 273 H CB 1.157 30.999 29.762 0.134 0.000 1.440 273 H HN 0.326 nan 8.280 nan 0.000 0.490 274 F N 1.913 121.953 119.950 0.149 0.000 2.443 274 F HA 0.167 4.694 4.527 -0.000 0.000 0.335 274 F C 0.595 176.425 175.800 0.050 0.000 1.104 274 F CA -0.723 57.294 58.000 0.029 0.000 1.013 274 F CB 1.364 40.372 39.000 0.014 0.000 1.136 274 F HN 0.469 nan 8.300 nan 0.000 0.470 275 N N 4.398 123.169 118.700 0.117 0.000 2.461 275 N HA 0.421 5.161 4.740 0.000 0.000 0.284 275 N C -3.004 172.545 175.510 0.065 0.000 1.049 275 N CA -2.351 50.765 53.050 0.111 0.000 0.889 275 N CB 2.115 40.689 38.487 0.145 0.000 1.365 275 N HN 0.072 nan 8.380 nan 0.000 0.499 276 P HA 0.301 nan 4.420 nan 0.000 0.274 276 P C -2.644 174.725 177.300 0.114 0.000 1.260 276 P CA -0.962 62.189 63.100 0.086 0.000 0.793 276 P CB -0.384 31.347 31.700 0.051 0.000 1.048 277 P HA 0.091 nan 4.420 nan 0.000 0.268 277 P C 0.075 177.384 177.300 0.014 0.000 1.208 277 P CA 0.214 63.368 63.100 0.091 0.000 0.777 277 P CB 0.173 31.910 31.700 0.062 0.000 0.875 278 L N 3.287 124.471 121.223 -0.065 0.000 2.483 278 L HA 0.119 4.459 4.340 0.000 0.000 0.275 278 L C -1.664 175.148 176.870 -0.096 0.000 1.220 278 L CA -1.526 53.207 54.840 -0.178 0.000 0.833 278 L CB -0.725 41.139 42.059 -0.325 0.000 1.102 278 L HN 0.297 nan 8.230 nan 0.000 0.490 279 P HA -0.063 nan 4.420 nan 0.000 0.268 279 P C 0.674 177.939 177.300 -0.058 0.000 1.208 279 P CA -0.154 62.909 63.100 -0.061 0.000 0.777 279 P CB 0.457 32.120 31.700 -0.062 0.000 0.875 280 M N 2.045 121.623 119.600 -0.036 0.000 2.089 280 M HA -0.241 4.239 4.480 0.000 0.000 0.257 280 M C 1.163 177.466 176.300 0.004 0.000 1.071 280 M CA 2.346 57.635 55.300 -0.018 0.000 1.096 280 M CB -0.396 32.197 32.600 -0.013 0.000 1.330 280 M HN 0.170 nan 8.290 nan 0.000 0.403 281 M N -0.237 119.361 119.600 -0.004 0.000 2.117 281 M HA -0.144 4.336 4.480 0.000 0.000 0.262 281 M C 2.331 178.669 176.300 0.063 0.000 1.065 281 M CA 1.797 57.130 55.300 0.055 0.000 1.114 281 M CB -1.445 31.131 32.600 -0.040 0.000 1.361 281 M HN 0.447 nan 8.290 nan 0.000 0.408 282 R N 0.317 120.784 120.500 -0.056 0.000 2.092 282 R HA -0.167 4.173 4.340 0.000 0.000 0.231 282 R C 2.014 178.227 176.300 -0.145 0.000 1.119 282 R CA 1.691 57.710 56.100 -0.135 0.000 0.970 282 R CB -0.223 29.945 30.300 -0.219 0.000 0.864 282 R HN 0.337 nan 8.270 nan 0.000 0.440 283 N N 0.517 119.148 118.700 -0.115 0.000 2.060 283 N HA -0.235 4.505 4.740 0.000 0.000 0.195 283 N C 1.588 177.032 175.510 -0.109 0.000 1.028 283 N CA 1.988 54.978 53.050 -0.101 0.000 0.861 283 N CB -0.001 38.449 38.487 -0.061 0.000 1.029 283 N HN 0.350 nan 8.380 nan 0.000 0.428 284 Q N -1.125 118.619 119.800 -0.093 0.000 2.163 284 Q HA -0.043 4.297 4.340 0.000 0.000 0.198 284 Q C 1.988 177.739 176.000 -0.415 0.000 0.954 284 Q CA 0.612 56.307 55.803 -0.179 0.000 0.851 284 Q CB -0.126 28.580 28.738 -0.053 0.000 0.928 284 Q HN 0.491 nan 8.270 nan 0.000 0.459 285 M N 1.708 121.063 119.600 -0.409 0.000 2.106 285 M HA -0.173 4.307 4.480 0.000 0.000 0.259 285 M C 2.001 178.063 176.300 -0.397 0.000 1.068 285 M CA 1.693 56.686 55.300 -0.512 0.000 1.100 285 M CB -0.486 31.995 32.600 -0.199 0.000 1.351 285 M HN 0.303 nan 8.290 nan 0.000 0.404 286 I N -1.646 118.757 120.570 -0.278 0.000 3.334 286 I HA -0.068 4.102 4.170 0.000 0.000 0.282 286 I C 1.483 177.465 176.117 -0.224 0.000 1.313 286 I CA 1.357 62.522 61.300 -0.225 0.000 1.396 286 I CB -1.022 36.891 38.000 -0.145 0.000 1.054 286 I HN 0.317 nan 8.210 nan 0.000 0.495 287 T N -2.469 111.929 114.554 -0.259 0.000 3.069 287 T HA 0.290 4.640 4.350 0.000 0.000 0.252 287 T C 1.453 175.978 174.700 -0.292 0.000 1.053 287 T CA -0.234 61.725 62.100 -0.234 0.000 0.964 287 T CB -0.027 68.727 68.868 -0.190 0.000 1.005 287 T HN 0.417 nan 8.240 nan 0.000 0.532 288 R N 0.910 121.176 120.500 -0.392 0.000 2.508 288 R HA 0.324 4.664 4.340 0.000 0.000 0.300 288 R C -0.129 175.842 176.300 -0.547 0.000 0.970 288 R CA -0.002 55.837 56.100 -0.436 0.000 1.102 288 R CB 1.393 31.378 30.300 -0.525 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.703 118.868 119.914 -0.571 0.000 2.383 289 V HA 0.467 4.587 4.120 0.000 0.000 0.261 289 V C -2.699 173.021 176.094 -0.623 0.000 0.987 289 V CA -2.352 59.490 62.300 -0.764 0.000 0.853 289 V CB 0.689 32.016 31.823 -0.827 0.000 1.095 289 V HN -0.112 nan 8.190 nan 0.000 0.461 290 P HA 0.502 nan 4.420 nan 0.000 0.276 290 P C -0.638 176.331 177.300 -0.552 0.000 1.252 290 P CA -0.343 62.412 63.100 -0.576 0.000 0.802 290 P CB 1.812 33.153 31.700 -0.599 0.000 1.035 291 L N 0.341 121.421 121.223 -0.239 0.000 2.352 291 L HA 0.574 4.914 4.340 0.000 0.000 0.269 291 L C 1.491 178.410 176.870 0.081 0.000 1.034 291 L CA -0.142 54.658 54.840 -0.067 0.000 0.806 291 L CB 0.438 42.494 42.059 -0.005 0.000 1.244 291 L HN 0.474 nan 8.230 nan 0.000 0.447 292 G N -0.014 108.867 108.800 0.135 0.000 2.631 292 G HA2 0.408 4.368 3.960 0.000 0.000 0.271 292 G HA3 0.408 4.368 3.960 0.000 0.000 0.271 292 G C -0.762 174.147 174.900 0.015 0.000 1.302 292 G CA -0.371 44.777 45.100 0.080 0.000 1.002 292 G HN 0.503 nan 8.290 nan 0.000 0.519 293 S N -1.369 114.311 115.700 -0.033 0.000 2.561 293 S HA 0.589 5.059 4.470 0.000 0.000 0.303 293 S C -1.000 173.597 174.600 -0.006 0.000 1.110 293 S CA -0.511 57.697 58.200 0.013 0.000 1.034 293 S CB 1.673 64.889 63.200 0.027 0.000 1.010 293 S HN 0.833 nan 8.310 nan 0.000 0.482 294 V N 4.784 124.749 119.914 0.086 0.000 3.000 294 V HA 0.576 4.696 4.120 0.000 0.000 0.300 294 V C -1.967 174.302 176.094 0.291 0.000 1.251 294 V CA -0.766 61.623 62.300 0.149 0.000 0.972 294 V CB 1.794 33.663 31.823 0.078 0.000 1.065 294 V HN 0.878 nan 8.190 nan 0.000 0.431 295 I N 5.239 125.989 120.570 0.299 0.000 2.362 295 I HA 0.518 4.688 4.170 0.000 0.000 0.289 295 I C -0.211 176.153 176.117 0.412 0.000 0.994 295 I CA -0.601 60.892 61.300 0.321 0.000 1.158 295 I CB 1.701 39.827 38.000 0.211 0.000 1.315 295 I HN 0.519 nan 8.210 nan 0.000 0.451 296 K N 5.969 126.645 120.400 0.459 0.000 2.248 296 K HA 0.564 4.884 4.320 0.000 0.000 0.281 296 K C -1.421 175.298 176.600 0.197 0.000 1.054 296 K CA -0.309 56.212 56.287 0.390 0.000 0.903 296 K CB 0.863 33.657 32.500 0.490 0.000 1.077 296 K HN 0.698 nan 8.250 nan 0.000 0.474 297 C N 5.414 124.787 119.300 0.123 0.000 2.441 297 C HA 0.567 5.027 4.460 0.000 0.000 0.318 297 C C -0.834 174.203 174.990 0.078 0.000 1.222 297 C CA -1.097 57.987 59.018 0.111 0.000 1.474 297 C CB 0.032 27.949 27.740 0.295 0.000 2.125 297 C HN 0.725 nan 8.230 nan 0.000 0.479 298 I N 3.098 123.670 120.570 0.004 0.000 2.410 298 I HA 0.412 4.582 4.170 0.000 0.000 0.286 298 I C -0.246 175.898 176.117 0.045 0.000 1.009 298 I CA -0.141 61.131 61.300 -0.048 0.000 1.111 298 I CB 1.397 39.317 38.000 -0.134 0.000 1.262 298 I HN 0.349 nan 8.210 nan 0.000 0.443 299 V N 6.788 126.731 119.914 0.049 0.000 2.370 299 V HA 0.372 4.492 4.120 0.000 0.000 0.279 299 V C -0.598 175.352 176.094 -0.241 0.000 1.029 299 V CA -0.671 61.675 62.300 0.077 0.000 0.870 299 V CB 0.725 32.640 31.823 0.153 0.000 0.984 299 V HN 0.407 nan 8.190 nan 0.000 0.451 300 Y N 4.232 124.489 120.300 -0.072 0.000 2.334 300 Y HA 0.657 5.207 4.550 -0.000 0.000 0.328 300 Y C -0.220 175.539 175.900 -0.236 0.000 1.130 300 Y CA -0.366 57.734 58.100 -0.000 0.000 1.163 300 Y CB 1.305 39.862 38.460 0.162 0.000 1.207 300 Y HN 0.531 nan 8.280 nan 0.000 0.471 301 Y N -0.086 120.465 120.300 0.418 0.000 2.605 301 Y HA 0.287 4.837 4.550 0.000 0.000 0.343 301 Y C 1.129 177.175 175.900 0.243 0.000 1.036 301 Y CA -1.389 56.927 58.100 0.359 0.000 1.065 301 Y CB 1.866 40.636 38.460 0.517 0.000 1.288 301 Y HN 0.497 nan 8.280 nan 0.000 0.481 302 K N 0.369 120.987 120.400 0.362 0.000 2.097 302 K HA -0.045 4.275 4.320 0.000 0.000 0.206 302 K C -0.539 176.135 176.600 0.123 0.000 1.049 302 K CA 1.625 58.019 56.287 0.179 0.000 0.933 302 K CB 0.214 32.790 32.500 0.126 0.000 0.717 302 K HN 0.727 nan 8.250 nan 0.000 0.442 303 E N -0.623 119.668 120.200 0.151 0.000 2.408 303 E HA 0.204 4.554 4.350 0.000 0.000 0.275 303 E C -2.673 173.804 176.600 -0.205 0.000 0.935 303 E CA -2.316 54.079 56.400 -0.008 0.000 0.775 303 E CB 2.254 31.939 29.700 -0.025 0.000 1.277 303 E HN -0.037 nan 8.360 nan 0.000 0.455 304 P HA 0.041 nan 4.420 nan 0.000 0.230 304 P C 0.310 176.684 177.300 -1.543 0.000 1.791 304 P CA -0.045 62.128 63.100 -1.545 0.000 1.020 304 P CB -0.941 30.154 31.700 -1.007 0.000 1.977 305 F N 0.068 119.472 119.950 -0.910 0.000 2.250 305 F HA -0.127 4.400 4.527 0.000 0.000 0.301 305 F C 1.752 177.388 175.800 -0.273 0.000 1.077 305 F CA 0.034 57.784 58.000 -0.418 0.000 1.348 305 F CB -1.768 37.114 39.000 -0.198 0.000 1.040 305 F HN 0.130 nan 8.300 nan 0.000 0.509 306 W N 1.380 122.316 121.300 -0.608 0.000 2.350 306 W HA 0.003 4.663 4.660 0.000 0.000 0.289 306 W C 2.036 178.497 176.519 -0.097 0.000 1.215 306 W CA 0.955 58.150 57.345 -0.249 0.000 1.236 306 W CB -1.146 28.103 29.460 -0.352 0.000 1.130 306 W HN -0.128 nan 8.180 nan 0.000 0.541 307 R N 1.228 121.510 120.500 -0.362 0.000 2.120 307 R HA -0.087 4.253 4.340 0.000 0.000 0.234 307 R C 2.063 178.282 176.300 -0.135 0.000 1.123 307 R CA 1.699 57.689 56.100 -0.184 0.000 0.975 307 R CB -0.454 29.675 30.300 -0.285 0.000 0.866 307 R HN 0.303 nan 8.270 nan 0.000 0.446 308 K N 0.732 121.046 120.400 -0.144 0.000 2.209 308 K HA -0.112 4.208 4.320 0.000 0.000 0.204 308 K C 1.311 177.847 176.600 -0.108 0.000 1.048 308 K CA 1.017 57.246 56.287 -0.097 0.000 0.940 308 K CB 0.052 32.516 32.500 -0.060 0.000 0.729 308 K HN 0.148 nan 8.250 nan 0.000 0.451 309 K N 0.885 121.196 120.400 -0.149 0.000 2.410 309 K HA -0.019 4.301 4.320 0.000 0.000 0.200 309 K C -0.515 175.775 176.600 -0.518 0.000 1.023 309 K CA 0.037 56.131 56.287 -0.321 0.000 1.149 309 K CB 0.328 32.599 32.500 -0.381 0.000 0.859 309 K HN 0.003 nan 8.250 nan 0.000 0.514 310 D N 0.339 120.577 120.400 -0.270 0.000 2.800 310 D HA -0.216 4.424 4.640 0.000 0.000 0.232 310 D C -1.406 174.837 176.300 -0.096 0.000 1.137 310 D CA 0.902 54.802 54.000 -0.166 0.000 0.718 310 D CB -1.410 39.309 40.800 -0.136 0.000 1.084 310 D HN 0.352 nan 8.370 nan 0.000 0.432 311 Y N -0.801 119.536 120.300 0.062 0.000 2.352 311 Y HA 0.314 4.864 4.550 0.000 0.000 0.339 311 Y C 2.027 178.006 175.900 0.131 0.000 0.992 311 Y CA -0.957 57.181 58.100 0.064 0.000 1.100 311 Y CB 1.280 39.786 38.460 0.077 0.000 1.192 311 Y HN 0.256 nan 8.280 nan 0.000 0.458 312 C N -0.888 118.534 119.300 0.202 0.000 2.468 312 C HA 0.431 4.891 4.460 0.000 0.000 0.277 312 C C 1.718 176.777 174.990 0.114 0.000 1.400 312 C CA 0.663 59.777 59.018 0.159 0.000 1.770 312 C CB -0.905 26.855 27.740 0.032 0.000 1.905 312 C HN 1.217 nan 8.230 nan 0.000 0.519 313 G N -0.409 108.290 108.800 -0.169 0.000 2.255 313 G HA2 -0.112 3.848 3.960 0.000 0.000 0.196 313 G HA3 -0.112 3.848 3.960 0.000 0.000 0.196 313 G C 0.024 174.589 174.900 -0.560 0.000 0.998 313 G CA 0.155 44.835 45.100 -0.701 0.000 0.656 313 G HN 0.542 nan 8.290 nan 0.000 0.490 314 T N 2.383 116.714 114.554 -0.371 0.000 2.814 314 T HA 0.630 4.980 4.350 0.000 0.000 0.297 314 T C 0.267 174.774 174.700 -0.323 0.000 0.956 314 T CA 0.599 62.466 62.100 -0.387 0.000 1.123 314 T CB 0.831 69.538 68.868 -0.268 0.000 0.902 314 T HN 0.280 nan 8.240 nan 0.000 0.528 315 M N 4.046 123.438 119.600 -0.347 0.000 2.263 315 M HA 0.484 4.964 4.480 0.000 0.000 0.295 315 M C -0.915 175.410 176.300 0.042 0.000 1.028 315 M CA -0.553 54.665 55.300 -0.137 0.000 0.921 315 M CB 2.236 34.721 32.600 -0.192 0.000 1.601 315 M HN 0.409 nan 8.290 nan 0.000 0.440 316 I N 4.804 125.545 120.570 0.285 0.000 2.354 316 I HA 0.443 4.613 4.170 0.000 0.000 0.286 316 I C -0.862 175.535 176.117 0.467 0.000 1.007 316 I CA -0.330 61.236 61.300 0.444 0.000 1.167 316 I CB 0.914 39.175 38.000 0.436 0.000 1.320 316 I HN 0.608 nan 8.210 nan 0.000 0.458 317 I N 5.368 126.164 120.570 0.376 0.000 2.382 317 I HA 0.295 4.465 4.170 0.000 0.000 0.285 317 I C -0.328 175.970 176.117 0.302 0.000 1.007 317 I CA -0.510 60.987 61.300 0.328 0.000 1.142 317 I CB 1.321 39.450 38.000 0.215 0.000 1.289 317 I HN 0.455 nan 8.210 nan 0.000 0.453 318 D N 4.510 125.090 120.400 0.300 0.000 2.312 318 D HA 0.686 5.326 4.640 0.000 0.000 0.248 318 D C 0.152 176.564 176.300 0.187 0.000 1.086 318 D CA 0.504 54.644 54.000 0.233 0.000 0.948 318 D CB 1.965 42.892 40.800 0.212 0.000 1.162 318 D HN 0.797 nan 8.370 nan 0.000 0.446 319 G N 1.759 110.648 108.800 0.149 0.000 2.617 319 G HA2 -0.134 3.826 3.960 0.000 0.000 0.686 319 G HA3 -0.134 3.826 3.960 0.000 0.000 0.686 319 G C 0.416 175.390 174.900 0.123 0.000 1.214 319 G CA 0.155 45.330 45.100 0.124 0.000 0.796 319 G HN 0.448 nan 8.290 nan 0.000 0.654 320 E N 0.246 120.513 120.200 0.111 0.000 2.106 320 E HA -0.027 4.323 4.350 0.000 0.000 0.192 320 E C 2.155 178.819 176.600 0.106 0.000 0.984 320 E CA 2.383 58.859 56.400 0.127 0.000 0.806 320 E CB -0.019 29.751 29.700 0.116 0.000 0.750 320 E HN 0.619 nan 8.360 nan 0.000 0.458 321 E N 0.557 120.810 120.200 0.089 0.000 2.106 321 E HA 0.044 4.394 4.350 0.000 0.000 0.192 321 E C 0.403 177.038 176.600 0.059 0.000 0.984 321 E CA 0.956 57.398 56.400 0.069 0.000 0.806 321 E CB -0.411 29.329 29.700 0.066 0.000 0.750 321 E HN 0.303 nan 8.360 nan 0.000 0.458 322 A N 2.439 125.305 122.820 0.076 0.000 2.491 322 A HA 0.135 4.455 4.320 0.000 0.000 0.261 322 A C -1.391 176.225 177.584 0.053 0.000 1.101 322 A CA -1.043 51.033 52.037 0.065 0.000 0.772 322 A CB 0.102 19.164 19.000 0.102 0.000 1.043 322 A HN 0.005 nan 8.150 nan 0.000 0.501 323 P HA -0.048 nan 4.420 nan 0.000 0.218 323 P C 0.259 177.598 177.300 0.065 0.000 1.149 323 P CA 0.990 64.102 63.100 0.020 0.000 0.817 323 P CB 0.087 31.781 31.700 -0.011 0.000 0.785 324 V N 0.198 120.173 119.914 0.101 0.000 2.417 324 V HA 0.471 4.591 4.120 0.000 0.000 0.291 324 V C 1.172 177.392 176.094 0.210 0.000 1.024 324 V CA -0.121 62.290 62.300 0.184 0.000 0.861 324 V CB 1.328 33.295 31.823 0.240 0.000 0.985 324 V HN -0.019 nan 8.190 nan 0.000 0.436 325 A N 4.418 127.391 122.820 0.255 0.000 2.220 325 A HA 0.336 4.656 4.320 0.000 0.000 0.211 325 A C 0.114 177.932 177.584 0.390 0.000 1.176 325 A CA 0.511 52.716 52.037 0.281 0.000 0.834 325 A CB 0.162 19.311 19.000 0.248 0.000 0.868 325 A HN 0.763 nan 8.150 nan 0.000 0.488 326 Y N -0.154 120.277 120.300 0.217 0.000 2.442 326 Y HA 0.461 5.011 4.550 0.000 0.000 0.330 326 Y C -0.431 175.530 175.900 0.100 0.000 1.100 326 Y CA -0.474 57.738 58.100 0.188 0.000 1.034 326 Y CB 1.448 40.071 38.460 0.273 0.000 1.285 326 Y HN 0.126 nan 8.280 nan 0.000 0.440 327 T N 3.946 118.168 114.554 -0.554 0.000 2.906 327 T HA 0.877 5.227 4.350 0.000 0.000 0.295 327 T C -1.514 172.706 174.700 -0.801 0.000 1.075 327 T CA -0.822 60.932 62.100 -0.577 0.000 1.005 327 T CB 1.885 70.407 68.868 -0.576 0.000 1.136 327 T HN 0.606 nan 8.240 nan 0.000 0.498 328 L N 1.101 122.000 121.223 -0.541 0.000 2.409 328 L HA 0.483 4.823 4.340 0.000 0.000 0.262 328 L C -0.623 176.052 176.870 -0.324 0.000 0.992 328 L CA -1.251 53.345 54.840 -0.406 0.000 0.817 328 L CB 2.237 44.143 42.059 -0.255 0.000 1.350 328 L HN 0.752 nan 8.230 nan 0.000 0.411 329 D N 1.031 121.276 120.400 -0.258 0.000 2.487 329 D HA -0.060 4.580 4.640 0.000 0.000 0.243 329 D C -0.202 176.115 176.300 0.029 0.000 1.154 329 D CA 0.650 54.581 54.000 -0.115 0.000 0.876 329 D CB 1.129 41.989 40.800 0.099 0.000 1.161 329 D HN 0.508 nan 8.370 nan 0.000 0.478 330 D N 1.868 122.290 120.400 0.037 0.000 2.462 330 D HA 0.069 4.709 4.640 0.000 0.000 0.221 330 D C -0.317 176.063 176.300 0.133 0.000 1.173 330 D CA -0.152 53.896 54.000 0.080 0.000 0.831 330 D CB 0.386 41.170 40.800 -0.026 0.000 1.001 330 D HN 0.235 nan 8.370 nan 0.000 0.499 331 T N 1.634 116.306 114.554 0.197 0.000 2.946 331 T HA 0.001 4.351 4.350 0.000 0.000 0.311 331 T C 0.539 175.309 174.700 0.116 0.000 1.063 331 T CA -0.058 62.155 62.100 0.189 0.000 1.139 331 T CB 0.740 69.728 68.868 0.199 0.000 0.994 331 T HN -0.059 nan 8.240 nan 0.000 0.547 332 K N 3.922 124.354 120.400 0.053 0.000 2.380 332 K HA 0.062 4.382 4.320 0.000 0.000 0.267 332 K C -1.369 175.115 176.600 -0.194 0.000 0.990 332 K CA -1.794 54.423 56.287 -0.116 0.000 0.946 332 K CB 0.154 32.623 32.500 -0.052 0.000 0.937 332 K HN 0.346 nan 8.250 nan 0.000 0.491 333 P HA -0.132 nan 4.420 nan 0.000 0.219 333 P C 0.343 177.570 177.300 -0.123 0.000 1.146 333 P CA 1.334 64.219 63.100 -0.357 0.000 0.808 333 P CB 0.342 31.724 31.700 -0.530 0.000 0.779 334 E N -0.865 119.282 120.200 -0.088 0.000 2.347 334 E HA 0.099 4.449 4.350 0.000 0.000 0.196 334 E C 1.617 178.212 176.600 -0.009 0.000 1.008 334 E CA 1.100 57.487 56.400 -0.022 0.000 0.852 334 E CB -0.857 28.852 29.700 0.013 0.000 0.783 334 E HN 0.331 nan 8.360 nan 0.000 0.505 335 G N 0.554 109.350 108.800 -0.007 0.000 2.176 335 G HA2 -0.278 3.682 3.960 0.000 0.000 0.232 335 G HA3 -0.278 3.682 3.960 0.000 0.000 0.232 335 G C 0.092 174.993 174.900 0.002 0.000 0.986 335 G CA 0.222 45.318 45.100 -0.008 0.000 0.643 335 G HN 0.369 nan 8.290 nan 0.000 0.522 336 N N -0.687 118.037 118.700 0.041 0.000 2.530 336 N HA 0.537 5.277 4.740 0.000 0.000 0.283 336 N C 0.512 176.127 175.510 0.175 0.000 1.238 336 N CA -0.865 52.195 53.050 0.017 0.000 0.971 336 N CB 0.024 38.456 38.487 -0.091 0.000 1.195 336 N HN 0.601 nan 8.380 nan 0.000 0.583 337 Y N -2.800 117.533 120.300 0.056 0.000 3.168 337 Y HA -0.173 4.377 4.550 0.000 0.000 0.207 337 Y C 0.587 176.629 175.900 0.237 0.000 1.280 337 Y CA 0.298 58.486 58.100 0.147 0.000 1.235 337 Y CB -2.361 36.149 38.460 0.084 0.000 1.370 337 Y HN 0.764 nan 8.280 nan 0.000 0.537 338 A N 0.291 123.276 122.820 0.275 0.000 2.584 338 A HA 0.538 4.858 4.320 0.000 0.000 0.239 338 A C 0.752 178.585 177.584 0.415 0.000 1.043 338 A CA 0.665 52.877 52.037 0.292 0.000 0.756 338 A CB 0.079 19.181 19.000 0.171 0.000 0.963 338 A HN 1.509 nan 8.150 nan 0.000 0.511 339 A N 2.465 125.532 122.820 0.412 0.000 2.604 339 A HA 0.635 4.955 4.320 0.000 0.000 0.295 339 A C -1.002 176.590 177.584 0.014 0.000 1.067 339 A CA -0.528 51.567 52.037 0.096 0.000 0.683 339 A CB 0.998 19.728 19.000 -0.450 0.000 1.281 339 A HN 0.715 nan 8.150 nan 0.000 0.407 340 I N 2.536 123.011 120.570 -0.158 0.000 2.389 340 I HA 0.363 4.533 4.170 0.000 0.000 0.288 340 I C -0.236 175.729 176.117 -0.253 0.000 0.999 340 I CA -0.376 60.691 61.300 -0.388 0.000 1.129 340 I CB 1.654 39.274 38.000 -0.632 0.000 1.288 340 I HN 0.748 nan 8.210 nan 0.000 0.444 341 M N 5.689 125.133 119.600 -0.259 0.000 2.188 341 M HA 0.600 5.080 4.480 0.000 0.000 0.357 341 M C -0.322 175.826 176.300 -0.252 0.000 1.204 341 M CA -0.153 55.023 55.300 -0.207 0.000 1.095 341 M CB 1.167 33.665 32.600 -0.171 0.000 1.604 341 M HN 0.699 nan 8.290 nan 0.000 0.464 342 G N 4.417 113.126 108.800 -0.151 0.000 2.620 342 G HA2 0.685 4.645 3.960 0.000 0.000 0.301 342 G HA3 0.685 4.645 3.960 0.000 0.000 0.301 342 G C -1.925 172.928 174.900 -0.077 0.000 1.347 342 G CA -0.541 44.517 45.100 -0.070 0.000 0.971 342 G HN 0.657 nan 8.290 nan 0.000 0.488 343 F N 0.635 120.736 119.950 0.251 0.000 2.436 343 F HA 0.498 5.026 4.527 0.000 0.000 0.340 343 F C 0.553 176.473 175.800 0.201 0.000 1.113 343 F CA -0.716 57.437 58.000 0.254 0.000 1.022 343 F CB 2.119 41.304 39.000 0.307 0.000 1.128 343 F HN 0.052 nan 8.300 nan 0.000 0.466 344 I N 5.224 126.014 120.570 0.365 0.000 2.312 344 I HA 0.292 4.462 4.170 0.000 0.000 0.290 344 I C -0.698 175.517 176.117 0.163 0.000 1.008 344 I CA -0.352 61.076 61.300 0.212 0.000 1.226 344 I CB 0.911 39.003 38.000 0.153 0.000 1.371 344 I HN 0.387 nan 8.210 nan 0.000 0.468 345 L N 6.330 127.605 121.223 0.088 0.000 2.325 345 L HA 0.721 5.061 4.340 0.000 0.000 0.278 345 L C 0.936 177.775 176.870 -0.053 0.000 1.023 345 L CA -0.225 54.628 54.840 0.021 0.000 0.811 345 L CB 1.577 43.655 42.059 0.032 0.000 1.249 345 L HN 0.904 nan 8.230 nan 0.000 0.431 346 A N 2.038 124.821 122.820 -0.062 0.000 5.308 346 A HA -0.366 3.954 4.320 0.000 0.000 0.321 346 A C 1.691 179.268 177.584 -0.011 0.000 1.849 346 A CA 1.608 53.615 52.037 -0.051 0.000 0.713 346 A CB -1.628 17.340 19.000 -0.055 0.000 1.360 346 A HN 1.090 nan 8.150 nan 0.000 0.384 347 H N 0.984 120.045 119.070 -0.015 0.000 2.456 347 H HA -0.016 4.540 4.556 0.000 0.000 0.296 347 H C 1.663 177.009 175.328 0.030 0.000 1.079 347 H CA 1.802 57.858 56.048 0.014 0.000 1.322 347 H CB -0.370 29.408 29.762 0.026 0.000 1.388 347 H HN 0.739 nan 8.280 nan 0.000 0.538 348 K N 0.710 120.768 120.400 -0.570 0.000 2.211 348 K HA 0.071 4.391 4.320 0.000 0.000 0.203 348 K C 2.553 179.094 176.600 -0.097 0.000 1.050 348 K CA 0.856 56.935 56.287 -0.347 0.000 0.945 348 K CB 0.067 32.378 32.500 -0.316 0.000 0.732 348 K HN 0.328 nan 8.250 nan 0.000 0.451 349 A N 1.453 124.246 122.820 -0.045 0.000 1.898 349 A HA -0.153 4.167 4.320 0.000 0.000 0.216 349 A C 2.067 179.670 177.584 0.033 0.000 1.181 349 A CA 1.290 53.344 52.037 0.028 0.000 0.620 349 A CB -0.261 18.772 19.000 0.055 0.000 0.819 349 A HN 0.109 nan 8.150 nan 0.000 0.442 350 R N -0.139 120.379 120.500 0.030 0.000 2.062 350 R HA -0.070 4.270 4.340 0.000 0.000 0.231 350 R C 2.347 178.672 176.300 0.041 0.000 1.136 350 R CA 1.803 57.930 56.100 0.044 0.000 0.948 350 R CB -0.330 30.008 30.300 0.064 0.000 0.845 350 R HN 0.610 nan 8.270 nan 0.000 0.430 351 K N 0.607 121.030 120.400 0.039 0.000 2.026 351 K HA -0.115 4.205 4.320 0.000 0.000 0.208 351 K C 1.611 178.228 176.600 0.028 0.000 1.048 351 K CA 1.448 57.761 56.287 0.043 0.000 0.929 351 K CB -0.054 32.480 32.500 0.056 0.000 0.713 351 K HN 0.167 nan 8.250 nan 0.000 0.439 352 L N 0.324 121.558 121.223 0.019 0.000 2.558 352 L HA 0.088 4.428 4.340 0.000 0.000 0.225 352 L C 2.252 179.141 176.870 0.032 0.000 1.128 352 L CA 0.244 55.097 54.840 0.022 0.000 0.868 352 L CB -0.109 41.961 42.059 0.018 0.000 1.006 352 L HN 0.203 nan 8.230 nan 0.000 0.454 353 A N 0.586 123.427 122.820 0.035 0.000 2.070 353 A HA -0.159 4.161 4.320 0.000 0.000 0.220 353 A C 2.338 179.939 177.584 0.028 0.000 1.159 353 A CA 1.055 53.113 52.037 0.036 0.000 0.656 353 A CB -0.360 18.662 19.000 0.036 0.000 0.800 353 A HN 0.367 nan 8.150 nan 0.000 0.453 354 R N -0.621 119.893 120.500 0.025 0.000 2.148 354 R HA 0.065 4.405 4.340 0.000 0.000 0.227 354 R C 0.260 176.571 176.300 0.018 0.000 1.103 354 R CA 0.297 56.409 56.100 0.020 0.000 0.983 354 R CB -0.467 29.845 30.300 0.019 0.000 0.874 354 R HN 0.441 nan 8.270 nan 0.000 0.451 355 L N 0.652 121.887 121.223 0.020 0.000 2.475 355 L HA 0.107 4.447 4.340 0.000 0.000 0.253 355 L C 1.039 177.922 176.870 0.021 0.000 1.198 355 L CA -0.471 54.379 54.840 0.016 0.000 0.814 355 L CB 0.434 42.500 42.059 0.012 0.000 1.134 355 L HN 0.132 nan 8.230 nan 0.000 0.478 356 T N -2.904 111.661 114.554 0.017 0.000 2.849 356 T HA 0.128 4.478 4.350 0.000 0.000 0.284 356 T C 0.868 175.592 174.700 0.040 0.000 1.004 356 T CA -0.694 61.420 62.100 0.025 0.000 1.021 356 T CB 1.317 70.195 68.868 0.016 0.000 1.013 356 T HN 0.658 nan 8.240 nan 0.000 0.527 357 K N 0.343 120.784 120.400 0.067 0.000 2.074 357 K HA -0.216 4.104 4.320 0.000 0.000 0.209 357 K C 1.909 178.552 176.600 0.072 0.000 1.048 357 K CA 1.954 58.323 56.287 0.137 0.000 0.926 357 K CB -0.207 32.386 32.500 0.155 0.000 0.713 357 K HN 0.692 nan 8.250 nan 0.000 0.444 358 E N 0.720 120.932 120.200 0.021 0.000 2.110 358 E HA -0.156 4.194 4.350 0.000 0.000 0.193 358 E C 1.816 178.369 176.600 -0.078 0.000 0.988 358 E CA 1.430 57.807 56.400 -0.038 0.000 0.804 358 E CB 0.008 29.698 29.700 -0.016 0.000 0.745 358 E HN 0.405 nan 8.360 nan 0.000 0.458 359 E N 0.197 120.370 120.200 -0.045 0.000 2.077 359 E HA -0.127 4.223 4.350 0.000 0.000 0.193 359 E C 2.140 178.692 176.600 -0.080 0.000 0.989 359 E CA 0.738 57.107 56.400 -0.051 0.000 0.800 359 E CB -0.017 29.669 29.700 -0.023 0.000 0.746 359 E HN 0.124 nan 8.360 nan 0.000 0.452 360 R N 0.276 120.734 120.500 -0.070 0.000 2.075 360 R HA -0.135 4.205 4.340 0.000 0.000 0.232 360 R C 2.476 178.622 176.300 -0.258 0.000 1.126 360 R CA 0.837 56.883 56.100 -0.090 0.000 0.963 360 R CB -0.379 29.937 30.300 0.028 0.000 0.858 360 R HN 0.123 nan 8.270 nan 0.000 0.435 361 L N 1.854 122.800 121.223 -0.462 0.000 2.013 361 L HA -0.236 4.104 4.340 0.000 0.000 0.212 361 L C 2.216 178.866 176.870 -0.368 0.000 1.073 361 L CA 1.922 56.336 54.840 -0.709 0.000 0.753 361 L CB -0.491 41.107 42.059 -0.768 0.000 0.890 361 L HN 0.020 nan 8.230 nan 0.000 0.432 362 K N -0.526 119.734 120.400 -0.233 0.000 2.032 362 K HA -0.230 4.090 4.320 0.000 0.000 0.209 362 K C 2.198 178.707 176.600 -0.152 0.000 1.048 362 K CA 1.826 58.023 56.287 -0.150 0.000 0.927 362 K CB -0.116 32.326 32.500 -0.097 0.000 0.712 362 K HN 0.343 nan 8.250 nan 0.000 0.441 363 K N 0.162 120.470 120.400 -0.153 0.000 2.097 363 K HA -0.145 4.175 4.320 0.000 0.000 0.206 363 K C 2.115 178.577 176.600 -0.230 0.000 1.049 363 K CA 1.122 57.322 56.287 -0.144 0.000 0.933 363 K CB -0.091 32.346 32.500 -0.104 0.000 0.717 363 K HN 0.055 nan 8.250 nan 0.000 0.442 364 L N 0.759 121.786 121.223 -0.326 0.000 2.027 364 L HA -0.194 4.146 4.340 0.000 0.000 0.206 364 L C 2.447 178.860 176.870 -0.762 0.000 1.074 364 L CA 1.503 55.972 54.840 -0.618 0.000 0.745 364 L CB -0.727 40.999 42.059 -0.554 0.000 0.898 364 L HN 0.224 nan 8.230 nan 0.000 0.433 365 C N -0.634 118.444 119.300 -0.370 0.000 2.413 365 C HA -0.164 4.296 4.460 0.000 0.000 0.276 365 C C 2.648 177.602 174.990 -0.061 0.000 1.248 365 C CA 0.649 59.605 59.018 -0.103 0.000 1.742 365 C CB -0.793 26.948 27.740 0.001 0.000 2.017 365 C HN 0.548 nan 8.230 nan 0.000 0.481 366 E N 0.207 120.346 120.200 -0.103 0.000 2.106 366 E HA -0.196 4.154 4.350 0.000 0.000 0.192 366 E C 1.993 178.558 176.600 -0.057 0.000 0.984 366 E CA 0.838 57.205 56.400 -0.055 0.000 0.806 366 E CB -0.250 29.418 29.700 -0.054 0.000 0.750 366 E HN 0.514 nan 8.360 nan 0.000 0.458 367 L N 0.397 121.540 121.223 -0.134 0.000 1.994 367 L HA -0.203 4.137 4.340 0.000 0.000 0.208 367 L C 2.009 178.892 176.870 0.021 0.000 1.071 367 L CA 1.755 56.533 54.840 -0.103 0.000 0.745 367 L CB -0.636 41.324 42.059 -0.165 0.000 0.892 367 L HN 0.197 nan 8.230 nan 0.000 0.431 368 Y N -0.724 119.561 120.300 -0.024 0.000 2.224 368 Y HA -0.236 4.314 4.550 -0.000 0.000 0.289 368 Y C 2.535 178.446 175.900 0.020 0.000 1.146 368 Y CA 0.307 58.397 58.100 -0.016 0.000 1.182 368 Y CB -0.528 37.960 38.460 0.048 0.000 0.983 368 Y HN 0.388 nan 8.280 nan 0.000 0.524 369 A N 0.551 123.484 122.820 0.189 0.000 1.908 369 A HA -0.253 4.067 4.320 0.000 0.000 0.218 369 A C 2.137 179.773 177.584 0.085 0.000 1.181 369 A CA 2.008 54.120 52.037 0.125 0.000 0.627 369 A CB -0.606 18.439 19.000 0.074 0.000 0.818 369 A HN 0.400 nan 8.150 nan 0.000 0.445 370 K N -0.506 119.922 120.400 0.046 0.000 2.002 370 K HA -0.085 4.235 4.320 0.000 0.000 0.209 370 K C 1.846 178.448 176.600 0.005 0.000 1.048 370 K CA 1.657 57.960 56.287 0.026 0.000 0.930 370 K CB -0.276 32.221 32.500 -0.005 0.000 0.714 370 K HN 0.223 nan 8.250 nan 0.000 0.438 371 V N 1.474 121.327 119.914 -0.101 0.000 2.343 371 V HA -0.212 3.908 4.120 0.000 0.000 0.247 371 V C 2.086 178.138 176.094 -0.069 0.000 1.051 371 V CA 1.534 63.728 62.300 -0.176 0.000 1.036 371 V CB -0.321 31.345 31.823 -0.261 0.000 0.654 371 V HN 0.321 nan 8.190 nan 0.000 0.451 372 L N 0.397 121.617 121.223 -0.005 0.000 2.558 372 L HA 0.283 4.623 4.340 0.000 0.000 0.225 372 L C 1.654 178.669 176.870 0.241 0.000 1.128 372 L CA 0.680 55.563 54.840 0.072 0.000 0.868 372 L CB -0.710 41.470 42.059 0.203 0.000 1.006 372 L HN 0.544 nan 8.230 nan 0.000 0.454 373 G N 0.781 109.677 108.800 0.160 0.000 2.356 373 G HA2 -0.268 3.692 3.960 0.000 0.000 0.296 373 G HA3 -0.268 3.692 3.960 0.000 0.000 0.296 373 G C -0.017 174.975 174.900 0.153 0.000 1.022 373 G CA 0.531 45.723 45.100 0.152 0.000 0.961 373 G HN 0.349 nan 8.290 nan 0.000 0.510 374 S N -0.696 115.092 115.700 0.145 0.000 2.779 374 S HA 0.441 4.911 4.470 0.000 0.000 0.293 374 S C 1.258 175.847 174.600 -0.018 0.000 1.150 374 S CA -0.740 57.515 58.200 0.092 0.000 1.057 374 S CB 1.600 64.942 63.200 0.236 0.000 1.021 374 S HN 0.259 nan 8.310 nan 0.000 0.485 375 L N 2.076 123.266 121.223 -0.056 0.000 2.187 375 L HA -0.145 4.195 4.340 0.000 0.000 0.213 375 L C 2.205 178.974 176.870 -0.168 0.000 1.100 375 L CA 1.296 56.091 54.840 -0.076 0.000 0.765 375 L CB -0.367 41.659 42.059 -0.054 0.000 0.904 375 L HN 0.681 nan 8.230 nan 0.000 0.437 376 E N 0.320 120.296 120.200 -0.373 0.000 2.209 376 E HA -0.214 4.136 4.350 0.000 0.000 0.196 376 E C 2.220 178.445 176.600 -0.625 0.000 0.993 376 E CA 1.010 57.022 56.400 -0.647 0.000 0.819 376 E CB -0.162 28.803 29.700 -1.224 0.000 0.745 376 E HN 0.530 nan 8.360 nan 0.000 0.477 377 A N 0.745 123.303 122.820 -0.436 0.000 2.172 377 A HA -0.077 4.243 4.320 0.000 0.000 0.216 377 A C 1.891 179.650 177.584 0.293 0.000 1.154 377 A CA 0.676 52.747 52.037 0.056 0.000 0.701 377 A CB -0.306 18.870 19.000 0.294 0.000 0.789 377 A HN 0.161 nan 8.150 nan 0.000 0.465 378 L N -1.130 120.165 121.223 0.120 0.000 2.591 378 L HA 0.111 4.451 4.340 0.000 0.000 0.228 378 L C 0.308 177.256 176.870 0.129 0.000 1.133 378 L CA 0.254 55.160 54.840 0.111 0.000 0.880 378 L CB -0.025 42.057 42.059 0.038 0.000 1.033 378 L HN 0.193 nan 8.230 nan 0.000 0.450 379 E N 0.849 121.174 120.200 0.207 0.000 3.312 379 E HA 0.189 4.539 4.350 0.000 0.000 0.215 379 E C -2.244 174.522 176.600 0.277 0.000 1.160 379 E CA -1.763 54.748 56.400 0.185 0.000 1.267 379 E CB 0.564 30.331 29.700 0.111 0.000 1.361 379 E HN 0.057 nan 8.360 nan 0.000 0.433 380 P HA -0.027 nan 4.420 nan 0.000 0.272 380 P C 0.752 178.077 177.300 0.041 0.000 1.223 380 P CA -0.097 62.957 63.100 -0.076 0.000 0.784 380 P CB 1.624 33.240 31.700 -0.139 0.000 0.923 381 V N -2.011 117.945 119.914 0.071 0.000 3.565 381 V HA 0.316 4.436 4.120 0.000 0.000 0.260 381 V C 0.463 176.682 176.094 0.208 0.000 1.231 381 V CA 0.802 63.183 62.300 0.135 0.000 1.100 381 V CB -1.148 30.760 31.823 0.142 0.000 0.807 381 V HN 0.672 nan 8.190 nan 0.000 0.454 382 H N -1.172 117.965 119.070 0.110 0.000 2.987 382 H HA 0.620 5.176 4.556 0.000 0.000 0.316 382 H C -2.302 173.231 175.328 0.341 0.000 1.380 382 H CA -0.704 55.427 56.048 0.137 0.000 1.160 382 H CB 1.933 31.673 29.762 -0.037 0.000 1.865 382 H HN 0.158 nan 8.280 nan 0.000 0.521 383 Y N 1.579 121.602 120.300 -0.462 0.000 2.479 383 Y HA 0.501 5.051 4.550 0.000 0.000 0.338 383 Y C -1.714 174.061 175.900 -0.209 0.000 1.055 383 Y CA -0.631 57.386 58.100 -0.139 0.000 1.023 383 Y CB 1.711 40.104 38.460 -0.111 0.000 1.287 383 Y HN 0.623 nan 8.280 nan 0.000 0.447 384 E N 4.398 124.336 120.200 -0.435 0.000 2.317 384 E HA 0.435 4.785 4.350 0.000 0.000 0.270 384 E C -1.433 174.792 176.600 -0.624 0.000 0.885 384 E CA -0.794 55.365 56.400 -0.402 0.000 0.760 384 E CB 2.767 32.468 29.700 0.002 0.000 1.227 384 E HN 0.778 nan 8.360 nan 0.000 0.434 385 E N 0.344 120.296 120.200 -0.413 0.000 2.430 385 E HA 0.660 5.010 4.350 0.000 0.000 0.279 385 E C -1.208 175.353 176.600 -0.064 0.000 1.003 385 E CA -1.066 55.194 56.400 -0.233 0.000 0.801 385 E CB 2.580 32.128 29.700 -0.254 0.000 1.313 385 E HN 0.178 nan 8.360 nan 0.000 0.459 386 K N 1.282 121.696 120.400 0.024 0.000 2.581 386 K HA 0.264 4.584 4.320 0.000 0.000 0.249 386 K C -1.607 174.980 176.600 -0.021 0.000 0.966 386 K CA -0.727 55.519 56.287 -0.070 0.000 0.811 386 K CB 1.471 33.892 32.500 -0.133 0.000 1.223 386 K HN 0.518 nan 8.250 nan 0.000 0.438 387 N N 4.094 122.743 118.700 -0.085 0.000 2.437 387 N HA 0.101 4.841 4.740 0.000 0.000 0.243 387 N C -0.239 175.238 175.510 -0.056 0.000 1.041 387 N CA -0.356 52.705 53.050 0.018 0.000 0.940 387 N CB 0.334 38.834 38.487 0.022 0.000 1.133 387 N HN 0.643 nan 8.380 nan 0.000 0.506 388 W N 2.192 123.543 121.300 0.085 0.000 2.800 388 W HA 0.063 4.723 4.660 -0.000 0.000 0.249 388 W C 1.943 178.488 176.519 0.044 0.000 1.294 388 W CA -0.104 57.285 57.345 0.073 0.000 1.402 388 W CB -0.172 29.350 29.460 0.104 0.000 1.126 388 W HN 0.589 nan 8.180 nan 0.000 0.652 389 C N 0.465 119.882 119.300 0.195 0.000 2.419 389 C HA -0.163 4.297 4.460 0.000 0.000 0.283 389 C C 2.342 177.366 174.990 0.057 0.000 1.373 389 C CA 1.435 60.522 59.018 0.114 0.000 1.781 389 C CB -1.477 26.313 27.740 0.083 0.000 1.886 389 C HN 0.499 nan 8.230 nan 0.000 0.520 390 E N 0.756 120.968 120.200 0.020 0.000 2.489 390 E HA -0.001 4.349 4.350 0.000 0.000 0.193 390 E C -0.053 176.523 176.600 -0.040 0.000 1.057 390 E CA 0.359 56.745 56.400 -0.024 0.000 0.866 390 E CB -0.171 29.500 29.700 -0.049 0.000 0.916 390 E HN 0.493 nan 8.360 nan 0.000 0.500 391 E N 2.181 122.376 120.200 -0.007 0.000 2.129 391 E HA -0.015 4.335 4.350 0.000 0.000 0.283 391 E C 0.461 177.049 176.600 -0.021 0.000 1.080 391 E CA 0.014 56.413 56.400 -0.001 0.000 0.867 391 E CB 1.512 31.272 29.700 0.100 0.000 1.056 391 E HN 0.356 nan 8.360 nan 0.000 0.404 392 Q N 2.988 122.710 119.800 -0.130 0.000 2.135 392 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 392 Q C 0.350 176.123 176.000 -0.379 0.000 0.981 392 Q CA 1.591 57.200 55.803 -0.323 0.000 0.856 392 Q CB 0.102 28.509 28.738 -0.551 0.000 0.902 392 Q HN 0.599 nan 8.270 nan 0.000 0.425 393 Y N -0.935 119.398 120.300 0.055 0.000 2.571 393 Y HA 0.255 4.805 4.550 -0.000 0.000 0.275 393 Y C 1.441 177.406 175.900 0.107 0.000 1.179 393 Y CA -0.326 57.816 58.100 0.070 0.000 1.242 393 Y CB 0.904 39.398 38.460 0.057 0.000 1.126 393 Y HN 0.077 nan 8.280 nan 0.000 0.524 394 S N -1.612 114.218 115.700 0.217 0.000 2.931 394 S HA 0.293 4.763 4.470 0.000 0.000 0.251 394 S C 1.827 176.513 174.600 0.142 0.000 1.078 394 S CA 0.550 58.884 58.200 0.223 0.000 0.835 394 S CB 0.644 64.061 63.200 0.361 0.000 0.798 394 S HN 0.530 nan 8.310 nan 0.000 0.495 395 G N 1.008 109.874 108.800 0.109 0.000 2.217 395 G HA2 0.111 4.071 3.960 0.000 0.000 0.246 395 G HA3 0.111 4.071 3.960 0.000 0.000 0.246 395 G C 0.488 175.434 174.900 0.077 0.000 0.990 395 G CA 0.029 45.161 45.100 0.054 0.000 0.627 395 G HN 1.393 nan 8.290 nan 0.000 0.522 396 G N -2.322 106.566 108.800 0.147 0.000 2.362 396 G HA2 0.514 4.474 3.960 0.000 0.000 0.288 396 G HA3 0.514 4.474 3.960 0.000 0.000 0.288 396 G C -0.952 174.037 174.900 0.148 0.000 1.305 396 G CA 0.304 45.498 45.100 0.156 0.000 0.910 396 G HN 1.500 nan 8.290 nan 0.000 0.518 397 C N -1.640 117.701 119.300 0.069 0.000 3.311 397 C HA 0.592 5.052 4.460 0.000 0.000 0.325 397 C C 0.776 175.651 174.990 -0.191 0.000 1.352 397 C CA -0.648 58.344 59.018 -0.043 0.000 1.308 397 C CB 0.781 28.402 27.740 -0.197 0.000 1.619 397 C HN 0.735 nan 8.230 nan 0.000 0.469 398 Y N 0.604 120.842 120.300 -0.103 0.000 2.337 398 Y HA 0.229 4.779 4.550 0.000 0.000 0.293 398 Y C 1.564 177.434 175.900 -0.050 0.000 1.123 398 Y CA 1.125 59.134 58.100 -0.151 0.000 1.201 398 Y CB -0.447 37.897 38.460 -0.193 0.000 1.011 398 Y HN 0.679 nan 8.280 nan 0.000 0.545 399 T N -1.888 112.747 114.554 0.136 0.000 2.665 399 T HA 0.333 4.683 4.350 0.000 0.000 0.303 399 T C -0.827 173.974 174.700 0.168 0.000 1.334 399 T CA -0.712 61.509 62.100 0.202 0.000 1.011 399 T CB 1.059 70.144 68.868 0.361 0.000 1.573 399 T HN -0.153 nan 8.240 nan 0.000 0.492 400 T N 2.703 117.369 114.554 0.187 0.000 2.851 400 T HA 0.463 4.813 4.350 0.000 0.000 0.298 400 T C -0.754 173.958 174.700 0.021 0.000 0.977 400 T CA 0.076 62.190 62.100 0.022 0.000 1.126 400 T CB -0.413 68.459 68.868 0.007 0.000 0.916 400 T HN 0.461 nan 8.240 nan 0.000 0.529 401 Y N 1.026 121.108 120.300 -0.364 0.000 2.496 401 Y HA 0.789 5.339 4.550 0.000 0.000 0.331 401 Y C -1.231 174.098 175.900 -0.952 0.000 1.140 401 Y CA -2.241 55.286 58.100 -0.955 0.000 1.166 401 Y CB 0.758 38.805 38.460 -0.688 0.000 1.249 401 Y HN 0.401 nan 8.280 nan 0.000 0.479 402 F N 3.118 122.296 119.950 -1.287 0.000 2.402 402 F HA 0.559 5.086 4.527 -0.000 0.000 0.355 402 F C -2.323 173.377 175.800 -0.167 0.000 1.123 402 F CA -2.770 54.854 58.000 -0.627 0.000 1.021 402 F CB 1.480 40.154 39.000 -0.543 0.000 1.160 402 F HN 0.357 nan 8.300 nan 0.000 0.451 403 P HA 0.090 nan 4.420 nan 0.000 0.271 403 P C -2.519 174.876 177.300 0.159 0.000 1.233 403 P CA -1.071 62.108 63.100 0.132 0.000 0.789 403 P CB -0.154 31.573 31.700 0.045 0.000 0.951 404 P HA -0.051 nan 4.420 nan 0.000 0.262 404 P C 0.909 178.298 177.300 0.149 0.000 1.182 404 P CA 1.324 64.523 63.100 0.164 0.000 0.761 404 P CB -0.071 31.707 31.700 0.130 0.000 0.795 405 G N 2.903 111.806 108.800 0.172 0.000 2.217 405 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 405 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 405 G C 0.808 175.823 174.900 0.192 0.000 0.990 405 G CA 0.071 45.263 45.100 0.153 0.000 0.627 405 G HN 0.432 nan 8.290 nan 0.000 0.522 406 I N 0.251 120.964 120.570 0.239 0.000 2.400 406 I HA 0.159 4.329 4.170 0.000 0.000 0.248 406 I C 2.616 178.975 176.117 0.403 0.000 1.109 406 I CA 1.315 62.811 61.300 0.326 0.000 1.425 406 I CB -1.132 36.982 38.000 0.189 0.000 1.094 406 I HN 0.281 nan 8.210 nan 0.000 0.425 407 L N 1.158 122.600 121.223 0.366 0.000 2.083 407 L HA -0.189 4.151 4.340 0.000 0.000 0.209 407 L C 2.624 179.571 176.870 0.128 0.000 1.083 407 L CA 2.418 57.353 54.840 0.159 0.000 0.752 407 L CB -0.924 41.122 42.059 -0.021 0.000 0.899 407 L HN 0.415 nan 8.230 nan 0.000 0.433 408 T N -4.269 110.370 114.554 0.142 0.000 2.857 408 T HA -0.140 4.210 4.350 0.000 0.000 0.266 408 T C 1.808 176.474 174.700 -0.057 0.000 1.048 408 T CA 0.922 63.077 62.100 0.091 0.000 1.139 408 T CB -0.323 68.603 68.868 0.098 0.000 0.874 408 T HN 0.343 nan 8.240 nan 0.000 0.455 409 Q N -0.116 119.650 119.800 -0.057 0.000 2.212 409 Q HA 0.116 4.456 4.340 0.000 0.000 0.199 409 Q C 1.121 176.808 176.000 -0.521 0.000 0.950 409 Q CA 1.185 56.813 55.803 -0.292 0.000 0.863 409 Q CB -0.004 28.554 28.738 -0.300 0.000 0.944 409 Q HN 0.775 nan 8.270 nan 0.000 0.465 410 Y N -1.761 118.469 120.300 -0.116 0.000 2.432 410 Y HA 0.262 4.812 4.550 -0.000 0.000 0.252 410 Y C 2.031 177.807 175.900 -0.208 0.000 1.097 410 Y CA 0.089 58.104 58.100 -0.141 0.000 1.250 410 Y CB 0.153 38.572 38.460 -0.068 0.000 1.245 410 Y HN 0.083 nan 8.280 nan 0.000 0.522 411 G N 1.766 110.483 108.800 -0.139 0.000 2.469 411 G HA2 -0.308 3.652 3.960 0.000 0.000 0.220 411 G HA3 -0.308 3.652 3.960 0.000 0.000 0.220 411 G C 1.736 176.186 174.900 -0.750 0.000 1.136 411 G CA 1.292 46.213 45.100 -0.298 0.000 0.759 411 G HN 0.437 nan 8.290 nan 0.000 0.562 412 R N 0.284 120.025 120.500 -1.263 0.000 2.241 412 R HA 0.046 4.386 4.340 0.000 0.000 0.224 412 R C 1.873 177.938 176.300 -0.392 0.000 1.101 412 R CA 1.278 56.729 56.100 -1.082 0.000 0.995 412 R CB -0.582 29.118 30.300 -1.001 0.000 0.870 412 R HN 0.285 nan 8.270 nan 0.000 0.463 413 V N 1.500 121.240 119.914 -0.291 0.000 2.871 413 V HA -0.112 4.008 4.120 0.000 0.000 0.256 413 V C 2.476 178.469 176.094 -0.169 0.000 1.082 413 V CA 0.851 63.045 62.300 -0.177 0.000 1.105 413 V CB -0.461 31.286 31.823 -0.127 0.000 0.713 413 V HN 0.245 nan 8.190 nan 0.000 0.473 414 L N 0.954 122.114 121.223 -0.105 0.000 1.997 414 L HA -0.219 4.121 4.340 0.000 0.000 0.216 414 L C 2.450 179.263 176.870 -0.094 0.000 1.074 414 L CA 2.316 57.117 54.840 -0.065 0.000 0.763 414 L CB -0.213 41.907 42.059 0.101 0.000 0.890 414 L HN 0.468 nan 8.230 nan 0.000 0.434 415 R N -0.784 119.758 120.500 0.071 0.000 2.577 415 R HA 0.148 4.488 4.340 0.000 0.000 0.344 415 R C 0.475 176.928 176.300 0.256 0.000 1.037 415 R CA -0.232 56.000 56.100 0.221 0.000 1.102 415 R CB -0.059 30.430 30.300 0.315 0.000 1.313 415 R HN 0.224 nan 8.270 nan 0.000 0.561 416 Q N 2.684 122.556 119.800 0.120 0.000 2.286 416 Q HA 0.201 4.541 4.340 0.000 0.000 0.267 416 Q C -2.104 174.017 176.000 0.202 0.000 1.028 416 Q CA -2.092 53.782 55.803 0.119 0.000 0.901 416 Q CB 0.851 29.601 28.738 0.019 0.000 1.183 416 Q HN 0.027 nan 8.270 nan 0.000 0.392 417 P HA -0.045 nan 4.420 nan 0.000 0.267 417 P C -1.254 176.041 177.300 -0.009 0.000 1.200 417 P CA -0.063 62.978 63.100 -0.100 0.000 0.772 417 P CB 0.658 32.032 31.700 -0.543 0.000 0.855 418 V N 3.315 123.229 119.914 -0.000 0.000 2.275 418 V HA 0.149 4.269 4.120 0.000 0.000 0.272 418 V C 0.694 176.743 176.094 -0.074 0.000 1.028 418 V CA 0.116 62.417 62.300 0.001 0.000 0.810 418 V CB 0.043 31.910 31.823 0.072 0.000 1.043 418 V HN 0.775 nan 8.190 nan 0.000 0.453 419 D N 4.075 124.435 120.400 -0.067 0.000 4.372 419 D HA -0.307 4.333 4.640 0.000 0.000 0.169 419 D C 1.361 177.631 176.300 -0.049 0.000 0.680 419 D CA 2.426 56.403 54.000 -0.039 0.000 1.152 419 D CB -0.265 40.527 40.800 -0.014 0.000 0.585 419 D HN 0.568 nan 8.370 nan 0.000 0.493 420 R N -0.141 120.357 120.500 -0.003 0.000 2.432 420 R HA 0.444 4.784 4.340 0.000 0.000 0.260 420 R C -0.174 176.214 176.300 0.147 0.000 0.935 420 R CA -0.154 56.038 56.100 0.155 0.000 1.080 420 R CB 0.433 30.763 30.300 0.049 0.000 1.155 420 R HN 0.292 nan 8.270 nan 0.000 0.531 421 I N 1.200 121.702 120.570 -0.113 0.000 2.331 421 I HA 0.219 4.389 4.170 0.000 0.000 0.292 421 I C -0.576 175.175 176.117 -0.610 0.000 0.998 421 I CA -0.634 60.519 61.300 -0.245 0.000 1.267 421 I CB 0.676 38.505 38.000 -0.284 0.000 1.386 421 I HN -0.085 nan 8.210 nan 0.000 0.476 422 Y N 5.256 125.300 120.300 -0.428 0.000 2.528 422 Y HA 0.548 5.098 4.550 0.000 0.000 0.335 422 Y C -0.547 175.009 175.900 -0.573 0.000 1.093 422 Y CA -0.710 57.169 58.100 -0.369 0.000 1.134 422 Y CB 1.578 39.955 38.460 -0.140 0.000 1.253 422 Y HN 0.281 nan 8.280 nan 0.000 0.478 423 F N 1.257 121.318 119.950 0.185 0.000 2.427 423 F HA 0.713 5.240 4.527 -0.000 0.000 0.348 423 F C 0.402 176.281 175.800 0.131 0.000 1.125 423 F CA -0.587 57.494 58.000 0.135 0.000 0.989 423 F CB 1.129 40.193 39.000 0.105 0.000 1.165 423 F HN 0.600 nan 8.300 nan 0.000 0.442 424 A N 2.291 125.262 122.820 0.252 0.000 3.444 424 A HA 0.957 5.277 4.320 0.000 0.000 0.189 424 A C 0.375 178.091 177.584 0.220 0.000 1.542 424 A CA -0.405 51.745 52.037 0.189 0.000 0.867 424 A CB -0.014 19.055 19.000 0.114 0.000 1.712 424 A HN 1.496 nan 8.150 nan 0.000 0.556 425 G N -2.515 106.393 108.800 0.181 0.000 2.785 425 G HA2 0.093 4.053 3.960 0.000 0.000 0.686 425 G HA3 0.093 4.053 3.960 0.000 0.000 0.686 425 G C 0.430 175.461 174.900 0.219 0.000 1.155 425 G CA 0.616 45.830 45.100 0.190 0.000 0.760 425 G HN 1.550 nan 8.290 nan 0.000 0.624 426 T N 0.220 114.905 114.554 0.218 0.000 2.849 426 T HA -0.116 4.234 4.350 0.000 0.000 0.270 426 T C 2.112 177.012 174.700 0.333 0.000 1.066 426 T CA 2.702 64.957 62.100 0.258 0.000 1.130 426 T CB -0.180 68.838 68.868 0.249 0.000 0.864 426 T HN 0.629 nan 8.240 nan 0.000 0.481 427 E N 0.469 120.872 120.200 0.339 0.000 2.267 427 E HA -0.068 4.282 4.350 0.000 0.000 0.197 427 E C 2.226 179.082 176.600 0.427 0.000 0.998 427 E CA 1.555 58.207 56.400 0.420 0.000 0.830 427 E CB -0.189 29.721 29.700 0.351 0.000 0.751 427 E HN 0.716 nan 8.360 nan 0.000 0.491 428 T N -2.613 112.156 114.554 0.358 0.000 3.086 428 T HA 0.456 4.806 4.350 0.000 0.000 0.250 428 T C 0.791 175.730 174.700 0.399 0.000 1.074 428 T CA 0.008 62.321 62.100 0.355 0.000 0.988 428 T CB 0.202 69.257 68.868 0.311 0.000 0.988 428 T HN 0.098 nan 8.240 nan 0.000 0.530 429 A N 1.725 124.784 122.820 0.399 0.000 2.346 429 A HA 0.544 4.864 4.320 0.000 0.000 0.252 429 A C 1.486 179.337 177.584 0.445 0.000 1.089 429 A CA 0.124 52.398 52.037 0.395 0.000 0.797 429 A CB 0.339 19.530 19.000 0.318 0.000 1.047 429 A HN 0.516 nan 8.150 nan 0.000 0.494 430 T N -2.584 112.207 114.554 0.396 0.000 3.003 430 T HA 0.239 4.589 4.350 0.000 0.000 0.261 430 T C 0.220 175.020 174.700 0.167 0.000 1.003 430 T CA 0.595 62.878 62.100 0.306 0.000 0.917 430 T CB -0.345 68.644 68.868 0.200 0.000 1.084 430 T HN 0.752 nan 8.240 nan 0.000 0.522 431 H N -0.924 118.175 119.070 0.048 0.000 3.018 431 H HA 0.268 4.824 4.556 -0.000 0.000 0.334 431 H C -0.998 174.363 175.328 0.055 0.000 0.983 431 H CA -0.998 55.012 56.048 -0.062 0.000 1.363 431 H CB 0.858 30.643 29.762 0.039 0.000 1.668 431 H HN 0.312 nan 8.280 nan 0.000 0.513 432 W N 2.164 123.177 121.300 -0.478 0.000 5.121 432 W HA -0.247 4.413 4.660 -0.000 0.000 0.372 432 W C 0.527 176.962 176.519 -0.140 0.000 1.394 432 W CA 0.970 58.015 57.345 -0.500 0.000 0.885 432 W CB -1.765 27.322 29.460 -0.621 0.000 2.520 432 W HN 0.407 nan 8.180 nan 0.000 1.455 433 S N 0.489 116.201 115.700 0.020 0.000 2.558 433 S HA 0.370 4.840 4.470 0.000 0.000 0.291 433 S C 1.440 176.224 174.600 0.307 0.000 1.306 433 S CA 1.824 60.154 58.200 0.216 0.000 1.056 433 S CB 0.765 64.162 63.200 0.328 0.000 0.836 433 S HN 1.467 nan 8.310 nan 0.000 0.504 434 G N 2.994 112.066 108.800 0.454 0.000 2.232 434 G HA2 -0.209 3.751 3.960 0.000 0.000 0.226 434 G HA3 -0.209 3.751 3.960 0.000 0.000 0.226 434 G C -0.174 174.871 174.900 0.241 0.000 0.996 434 G CA 0.281 45.670 45.100 0.481 0.000 0.626 434 G HN 0.688 nan 8.290 nan 0.000 0.509 435 Y N -0.363 120.058 120.300 0.202 0.000 2.602 435 Y HA 0.713 5.263 4.550 -0.000 0.000 0.330 435 Y C 2.010 177.961 175.900 0.084 0.000 1.114 435 Y CA -0.710 57.464 58.100 0.124 0.000 1.182 435 Y CB 0.831 39.357 38.460 0.109 0.000 1.305 435 Y HN -0.019 nan 8.280 nan 0.000 0.502 436 M N -0.171 119.548 119.600 0.200 0.000 2.149 436 M HA -0.198 4.282 4.480 0.000 0.000 0.261 436 M C 1.825 178.195 176.300 0.117 0.000 1.064 436 M CA 1.916 57.295 55.300 0.133 0.000 1.102 436 M CB -0.250 32.423 32.600 0.120 0.000 1.369 436 M HN 0.774 nan 8.290 nan 0.000 0.408 437 E N 0.838 121.086 120.200 0.080 0.000 2.049 437 E HA -0.158 4.192 4.350 0.000 0.000 0.198 437 E C 1.986 178.655 176.600 0.115 0.000 1.007 437 E CA 2.128 58.539 56.400 0.019 0.000 0.809 437 E CB -0.724 28.857 29.700 -0.198 0.000 0.749 437 E HN 0.423 nan 8.360 nan 0.000 0.450 438 G N 0.103 109.019 108.800 0.193 0.000 2.442 438 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 438 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 438 G C 1.718 176.737 174.900 0.198 0.000 1.141 438 G CA 1.250 46.485 45.100 0.225 0.000 0.763 438 G HN 0.487 nan 8.290 nan 0.000 0.554 439 A N 0.196 123.121 122.820 0.175 0.000 1.883 439 A HA 0.020 4.340 4.320 0.000 0.000 0.217 439 A C 2.622 180.273 177.584 0.111 0.000 1.186 439 A CA 2.006 54.129 52.037 0.142 0.000 0.624 439 A CB -0.661 18.412 19.000 0.121 0.000 0.822 439 A HN 0.283 nan 8.150 nan 0.000 0.444 440 V N 0.033 120.005 119.914 0.097 0.000 2.307 440 V HA -0.255 3.865 4.120 0.000 0.000 0.245 440 V C 2.531 178.671 176.094 0.077 0.000 1.045 440 V CA 2.182 64.525 62.300 0.071 0.000 1.024 440 V CB -0.787 31.071 31.823 0.058 0.000 0.651 440 V HN 0.744 nan 8.190 nan 0.000 0.449 441 E N 0.526 120.793 120.200 0.112 0.000 2.049 441 E HA -0.281 4.069 4.350 0.000 0.000 0.198 441 E C 2.227 178.878 176.600 0.084 0.000 1.007 441 E CA 1.787 58.264 56.400 0.128 0.000 0.809 441 E CB -0.192 29.634 29.700 0.209 0.000 0.749 441 E HN 0.547 nan 8.360 nan 0.000 0.450 442 A N 0.607 123.497 122.820 0.116 0.000 1.930 442 A HA -0.043 4.277 4.320 0.000 0.000 0.217 442 A C 2.394 180.003 177.584 0.042 0.000 1.175 442 A CA 1.624 53.719 52.037 0.096 0.000 0.627 442 A CB -0.958 18.144 19.000 0.171 0.000 0.815 442 A HN 0.451 nan 8.150 nan 0.000 0.443 443 G N -0.306 108.523 108.800 0.049 0.000 2.404 443 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 443 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 443 G C 1.434 176.322 174.900 -0.020 0.000 1.174 443 G CA 0.943 46.058 45.100 0.024 0.000 0.780 443 G HN 0.643 nan 8.290 nan 0.000 0.537 444 E N -0.174 120.010 120.200 -0.026 0.000 2.106 444 E HA -0.063 4.287 4.350 0.000 0.000 0.192 444 E C 2.566 179.092 176.600 -0.122 0.000 0.984 444 E CA 0.197 56.564 56.400 -0.055 0.000 0.806 444 E CB -0.111 29.572 29.700 -0.027 0.000 0.750 444 E HN 0.199 nan 8.360 nan 0.000 0.458 445 R N 1.256 121.649 120.500 -0.179 0.000 2.073 445 R HA -0.119 4.221 4.340 0.000 0.000 0.234 445 R C 2.157 178.279 176.300 -0.297 0.000 1.134 445 R CA 1.521 57.400 56.100 -0.368 0.000 0.952 445 R CB -0.360 29.558 30.300 -0.637 0.000 0.850 445 R HN 0.154 nan 8.270 nan 0.000 0.433 446 A N 0.808 123.527 122.820 -0.168 0.000 1.902 446 A HA -0.092 4.228 4.320 0.000 0.000 0.217 446 A C 2.429 179.901 177.584 -0.188 0.000 1.181 446 A CA 1.902 53.876 52.037 -0.104 0.000 0.623 446 A CB -0.770 18.231 19.000 0.001 0.000 0.818 446 A HN 0.515 nan 8.150 nan 0.000 0.443 447 A N -0.113 122.614 122.820 -0.154 0.000 1.883 447 A HA -0.212 4.108 4.320 0.000 0.000 0.217 447 A C 2.253 179.708 177.584 -0.215 0.000 1.186 447 A CA 1.690 53.627 52.037 -0.166 0.000 0.624 447 A CB -0.504 18.435 19.000 -0.101 0.000 0.822 447 A HN 0.560 nan 8.150 nan 0.000 0.444 448 R N -0.544 119.838 120.500 -0.198 0.000 2.148 448 R HA -0.083 4.257 4.340 0.000 0.000 0.227 448 R C 2.053 178.226 176.300 -0.211 0.000 1.103 448 R CA 1.225 57.215 56.100 -0.183 0.000 0.983 448 R CB -0.273 29.928 30.300 -0.165 0.000 0.874 448 R HN 0.684 nan 8.270 nan 0.000 0.451 449 E N 0.692 120.724 120.200 -0.280 0.000 2.085 449 E HA -0.197 4.153 4.350 0.000 0.000 0.194 449 E C 1.960 178.232 176.600 -0.546 0.000 0.994 449 E CA 1.147 57.364 56.400 -0.305 0.000 0.801 449 E CB -0.079 29.465 29.700 -0.259 0.000 0.743 449 E HN 0.341 nan 8.360 nan 0.000 0.453 450 I N 0.872 120.988 120.570 -0.757 0.000 2.252 450 I HA -0.268 3.902 4.170 0.000 0.000 0.245 450 I C 2.321 178.106 176.117 -0.554 0.000 1.102 450 I CA 0.817 61.574 61.300 -0.905 0.000 1.385 450 I CB -0.161 37.362 38.000 -0.796 0.000 1.064 450 I HN 0.111 nan 8.210 nan 0.000 0.414 451 L N -0.025 121.003 121.223 -0.325 0.000 2.042 451 L HA -0.291 4.049 4.340 0.000 0.000 0.210 451 L C 2.737 179.530 176.870 -0.129 0.000 1.076 451 L CA 1.693 56.421 54.840 -0.186 0.000 0.749 451 L CB -0.942 41.047 42.059 -0.117 0.000 0.893 451 L HN 0.362 nan 8.230 nan 0.000 0.432 452 H N 0.112 119.067 119.070 -0.192 0.000 2.357 452 H HA -0.110 4.446 4.556 0.000 0.000 0.301 452 H C 2.121 177.384 175.328 -0.109 0.000 1.082 452 H CA 1.460 57.437 56.048 -0.120 0.000 1.342 452 H CB 0.035 29.744 29.762 -0.089 0.000 1.389 452 H HN 0.259 nan 8.280 nan 0.000 0.511 453 A N 0.499 123.142 122.820 -0.294 0.000 1.978 453 A HA -0.156 4.164 4.320 0.000 0.000 0.220 453 A C 2.252 179.731 177.584 -0.176 0.000 1.170 453 A CA 1.816 53.697 52.037 -0.260 0.000 0.636 453 A CB -0.620 18.205 19.000 -0.291 0.000 0.810 453 A HN 0.571 nan 8.150 nan 0.000 0.448 454 M N -1.270 118.212 119.600 -0.196 0.000 2.561 454 M HA 0.171 4.651 4.480 0.000 0.000 0.238 454 M C 1.299 177.555 176.300 -0.073 0.000 1.131 454 M CA 0.697 55.957 55.300 -0.066 0.000 1.046 454 M CB 0.154 32.721 32.600 -0.054 0.000 1.532 454 M HN 0.602 nan 8.290 nan 0.000 0.497 455 G N 1.271 109.988 108.800 -0.139 0.000 2.153 455 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 455 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 455 G C 0.861 175.730 174.900 -0.051 0.000 0.994 455 G CA 0.533 45.569 45.100 -0.107 0.000 0.698 455 G HN 0.487 nan 8.290 nan 0.000 0.521 456 K N -0.546 119.824 120.400 -0.049 0.000 2.262 456 K HA 0.296 4.616 4.320 0.000 0.000 0.200 456 K C 1.368 177.966 176.600 -0.003 0.000 1.049 456 K CA 1.288 57.560 56.287 -0.026 0.000 0.979 456 K CB 0.282 32.759 32.500 -0.038 0.000 0.773 456 K HN 0.811 nan 8.250 nan 0.000 0.474 457 I N -1.688 118.896 120.570 0.023 0.000 2.865 457 I HA 0.452 4.622 4.170 0.000 0.000 0.302 457 I C -2.978 173.228 176.117 0.148 0.000 1.140 457 I CA -3.022 58.311 61.300 0.055 0.000 1.021 457 I CB 2.345 40.362 38.000 0.028 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.130 nan 4.420 nan 0.000 0.274 458 P C 0.208 177.531 177.300 0.038 0.000 1.246 458 P CA -0.033 63.149 63.100 0.136 0.000 0.795 458 P CB 1.160 32.900 31.700 0.067 0.000 1.006 459 E N 0.772 120.912 120.200 -0.101 0.000 2.118 459 E HA -0.240 4.110 4.350 0.000 0.000 0.195 459 E C 1.215 177.728 176.600 -0.144 0.000 0.992 459 E CA 1.533 57.688 56.400 -0.409 0.000 0.804 459 E CB -0.164 29.361 29.700 -0.292 0.000 0.741 459 E HN 0.501 nan 8.360 nan 0.000 0.458 460 D N -0.096 120.281 120.400 -0.038 0.000 2.378 460 D HA -0.171 4.470 4.640 0.000 0.000 0.222 460 D C 0.904 177.225 176.300 0.036 0.000 0.980 460 D CA 0.708 54.718 54.000 0.017 0.000 0.907 460 D CB -0.120 40.693 40.800 0.021 0.000 0.899 460 D HN 0.338 nan 8.370 nan 0.000 0.527 461 E N -0.335 119.869 120.200 0.007 0.000 2.474 461 E HA 0.172 4.522 4.350 0.000 0.000 0.195 461 E C 1.949 178.540 176.600 -0.016 0.000 1.039 461 E CA -0.304 56.102 56.400 0.011 0.000 0.881 461 E CB 0.374 30.077 29.700 0.006 0.000 0.970 461 E HN 0.312 nan 8.360 nan 0.000 0.486 462 I N 0.008 120.552 120.570 -0.042 0.000 2.179 462 I HA -0.181 3.989 4.170 0.000 0.000 0.242 462 I C 0.470 176.446 176.117 -0.235 0.000 1.088 462 I CA 1.117 62.324 61.300 -0.155 0.000 1.357 462 I CB 0.065 37.958 38.000 -0.179 0.000 1.051 462 I HN 0.095 nan 8.210 nan 0.000 0.409 463 W N 1.627 122.922 121.300 -0.008 0.000 2.335 463 W HA 0.473 5.133 4.660 -0.000 0.000 0.307 463 W C 0.134 176.656 176.519 0.006 0.000 1.117 463 W CA -0.220 57.132 57.345 0.011 0.000 1.228 463 W CB 0.555 30.023 29.460 0.014 0.000 1.240 463 W HN -0.034 nan 8.180 nan 0.000 0.468 464 Q N 2.782 122.702 119.800 0.199 0.000 2.330 464 Q HA 0.396 4.736 4.340 0.000 0.000 0.269 464 Q C 0.160 176.236 176.000 0.125 0.000 1.022 464 Q CA -0.538 55.338 55.803 0.122 0.000 0.796 464 Q CB 1.647 30.421 28.738 0.060 0.000 1.271 464 Q HN 0.564 nan 8.270 nan 0.000 0.450 465 S N 2.534 118.290 115.700 0.094 0.000 2.584 465 S HA 0.214 4.684 4.470 0.000 0.000 0.270 465 S C -0.181 174.458 174.600 0.065 0.000 1.346 465 S CA -0.480 57.763 58.200 0.072 0.000 1.018 465 S CB 1.270 64.495 63.200 0.042 0.000 0.899 465 S HN 0.676 nan 8.310 nan 0.000 0.542 466 E N 1.014 121.252 120.200 0.064 0.000 2.199 466 E HA 0.570 4.920 4.350 0.000 0.000 0.265 466 E C -2.807 173.820 176.600 0.046 0.000 0.882 466 E CA -2.155 54.282 56.400 0.060 0.000 0.759 466 E CB 1.035 30.784 29.700 0.082 0.000 1.148 466 E HN 0.544 nan 8.360 nan 0.000 0.412 467 P HA 0.066 nan 4.420 nan 0.000 0.268 467 P C -0.768 176.550 177.300 0.030 0.000 1.205 467 P CA -0.179 62.937 63.100 0.027 0.000 0.771 467 P CB 0.519 32.232 31.700 0.022 0.000 0.858 468 E N 1.713 121.928 120.200 0.025 0.000 2.414 468 E HA 0.076 4.426 4.350 0.000 0.000 0.263 468 E C -0.077 176.534 176.600 0.018 0.000 1.000 468 E CA -0.285 56.130 56.400 0.024 0.000 0.914 468 E CB 0.393 30.105 29.700 0.020 0.000 0.948 468 E HN 0.380 nan 8.360 nan 0.000 0.444 469 S N 2.893 118.602 115.700 0.016 0.000 2.552 469 S HA -0.058 4.412 4.470 0.000 0.000 0.289 469 S C 1.207 175.812 174.600 0.008 0.000 1.304 469 S CA -0.070 58.137 58.200 0.011 0.000 1.063 469 S CB 0.763 63.964 63.200 0.002 0.000 0.848 469 S HN 0.536 nan 8.310 nan 0.000 0.499 470 V N 1.887 121.807 119.914 0.010 0.000 2.719 470 V HA 0.051 4.171 4.120 0.000 0.000 0.252 470 V C 1.482 177.581 176.094 0.007 0.000 1.065 470 V CA 1.510 63.815 62.300 0.009 0.000 1.086 470 V CB -0.574 31.255 31.823 0.011 0.000 0.700 470 V HN 0.812 nan 8.190 nan 0.000 0.467 471 D N 0.911 121.316 120.400 0.008 0.000 2.271 471 D HA 0.108 4.748 4.640 0.000 0.000 0.206 471 D C 0.779 177.076 176.300 -0.004 0.000 0.967 471 D CA 1.032 55.036 54.000 0.007 0.000 0.867 471 D CB 0.866 41.675 40.800 0.015 0.000 0.960 471 D HN 0.508 nan 8.370 nan 0.000 0.509 472 V N 3.718 123.625 119.914 -0.012 0.000 2.320 472 V HA 0.198 4.318 4.120 0.000 0.000 0.257 472 V C -2.394 173.687 176.094 -0.021 0.000 0.996 472 V CA -1.279 61.004 62.300 -0.029 0.000 0.928 472 V CB 1.251 33.039 31.823 -0.058 0.000 1.169 472 V HN -0.049 nan 8.190 nan 0.000 0.475 473 P HA 0.378 nan 4.420 nan 0.000 0.274 473 P C -0.434 176.863 177.300 -0.005 0.000 1.231 473 P CA -0.021 63.077 63.100 -0.004 0.000 0.790 473 P CB 1.598 33.297 31.700 -0.001 0.000 0.951 474 A N 3.009 125.830 122.820 0.003 0.000 2.249 474 A HA 0.303 4.623 4.320 0.000 0.000 0.314 474 A C 0.273 177.861 177.584 0.006 0.000 1.290 474 A CA -0.565 51.477 52.037 0.008 0.000 0.893 474 A CB 0.214 19.229 19.000 0.026 0.000 1.165 474 A HN 0.430 nan 8.150 nan 0.000 0.530 475 Q N 2.865 122.666 119.800 0.002 0.000 2.327 475 Q HA 0.284 4.624 4.340 0.000 0.000 0.254 475 Q C -2.105 173.896 176.000 0.002 0.000 0.952 475 Q CA -1.443 54.361 55.803 0.001 0.000 0.884 475 Q CB 0.612 29.350 28.738 -0.001 0.000 1.224 475 Q HN 0.586 nan 8.270 nan 0.000 0.422 476 P HA 0.137 nan 4.420 nan 0.000 0.269 476 P C -0.299 176.997 177.300 -0.007 0.000 1.215 476 P CA -0.273 62.824 63.100 -0.005 0.000 0.780 476 P CB 0.709 32.404 31.700 -0.007 0.000 0.898 477 I N 2.099 122.661 120.570 -0.013 0.000 2.396 477 I HA 0.152 4.322 4.170 0.000 0.000 0.289 477 I C 1.219 177.325 176.117 -0.018 0.000 1.056 477 I CA 0.209 61.500 61.300 -0.015 0.000 1.365 477 I CB 0.078 38.062 38.000 -0.026 0.000 1.407 477 I HN 0.429 nan 8.210 nan 0.000 0.509 478 T N 2.127 116.673 114.554 -0.012 0.000 2.932 478 T HA 0.821 5.171 4.350 0.000 0.000 0.289 478 T C -0.011 174.673 174.700 -0.025 0.000 1.039 478 T CA -0.680 61.411 62.100 -0.014 0.000 1.024 478 T CB 2.226 71.092 68.868 -0.002 0.000 1.090 478 T HN 0.644 nan 8.240 nan 0.000 0.496 479 T N -1.309 113.226 114.554 -0.033 0.000 2.916 479 T HA 0.731 5.081 4.350 0.000 0.000 0.292 479 T C 0.261 174.951 174.700 -0.017 0.000 1.055 479 T CA -0.707 61.362 62.100 -0.052 0.000 1.009 479 T CB 1.332 70.144 68.868 -0.094 0.000 1.118 479 T HN 1.025 nan 8.240 nan 0.000 0.497 480 T N -0.600 113.948 114.554 -0.011 0.000 2.902 480 T HA 0.417 4.767 4.350 0.000 0.000 0.280 480 T C 0.846 175.596 174.700 0.084 0.000 0.992 480 T CA -0.839 61.293 62.100 0.053 0.000 1.015 480 T CB 0.630 69.534 68.868 0.060 0.000 1.044 480 T HN 0.535 nan 8.240 nan 0.000 0.520 481 F N 0.748 120.718 119.950 0.033 0.000 2.095 481 F HA -0.010 4.517 4.527 0.000 0.000 0.298 481 F C 1.954 177.828 175.800 0.123 0.000 1.104 481 F CA 1.449 59.514 58.000 0.108 0.000 1.232 481 F CB -0.463 38.599 39.000 0.102 0.000 0.987 481 F HN 0.501 nan 8.300 nan 0.000 0.475 482 L N -0.063 121.281 121.223 0.202 0.000 2.046 482 L HA -0.204 4.136 4.340 0.000 0.000 0.208 482 L C 2.386 179.250 176.870 -0.010 0.000 1.077 482 L CA 1.624 56.528 54.840 0.107 0.000 0.747 482 L CB -0.746 41.404 42.059 0.152 0.000 0.896 482 L HN 0.170 nan 8.230 nan 0.000 0.432 483 E N -0.127 120.054 120.200 -0.033 0.000 2.085 483 E HA -0.228 4.122 4.350 0.000 0.000 0.194 483 E C 2.356 178.833 176.600 -0.205 0.000 0.994 483 E CA 1.099 57.434 56.400 -0.108 0.000 0.801 483 E CB -0.003 29.620 29.700 -0.127 0.000 0.743 483 E HN 0.392 nan 8.360 nan 0.000 0.453 484 R N -0.465 119.852 120.500 -0.307 0.000 2.092 484 R HA -0.051 4.289 4.340 0.000 0.000 0.231 484 R C 1.751 177.645 176.300 -0.676 0.000 1.119 484 R CA 1.034 56.812 56.100 -0.537 0.000 0.970 484 R CB 0.040 29.897 30.300 -0.740 0.000 0.864 484 R HN 0.304 nan 8.270 nan 0.000 0.440 485 H N -0.917 117.951 119.070 -0.337 0.000 2.874 485 H HA 0.204 4.760 4.556 0.000 0.000 0.264 485 H C 0.360 175.577 175.328 -0.185 0.000 1.007 485 H CA -0.209 55.642 56.048 -0.329 0.000 1.207 485 H CB 0.488 29.888 29.762 -0.603 0.000 1.487 485 H HN 0.024 nan 8.280 nan 0.000 0.505 486 L N 4.551 125.749 121.223 -0.042 0.000 2.490 486 L HA 0.046 4.386 4.340 0.000 0.000 0.274 486 L C -1.653 175.202 176.870 -0.026 0.000 1.201 486 L CA -1.365 53.477 54.840 0.003 0.000 0.869 486 L CB 0.329 42.422 42.059 0.057 0.000 1.123 486 L HN -0.008 nan 8.230 nan 0.000 0.484 487 P HA 0.107 nan 4.420 nan 0.000 0.274 487 P C -0.596 176.662 177.300 -0.071 0.000 1.237 487 P CA -0.576 62.494 63.100 -0.050 0.000 0.793 487 P CB 0.975 32.644 31.700 -0.050 0.000 0.977 488 S N 0.169 115.807 115.700 -0.103 0.000 2.617 488 S HA 0.084 4.554 4.470 0.000 0.000 0.259 488 S C 1.525 175.992 174.600 -0.221 0.000 1.301 488 S CA -0.544 57.569 58.200 -0.144 0.000 0.984 488 S CB -0.387 62.722 63.200 -0.151 0.000 0.954 488 S HN 0.223 nan 8.310 nan 0.000 0.572 489 V N 2.366 122.081 119.914 -0.331 0.000 2.261 489 V HA -0.077 4.043 4.120 0.000 0.000 0.246 489 V C -0.422 175.255 176.094 -0.694 0.000 1.047 489 V CA 1.942 63.958 62.300 -0.474 0.000 1.015 489 V CB -1.956 29.575 31.823 -0.487 0.000 0.642 489 V HN 0.798 nan 8.190 nan 0.000 0.446 490 P HA -0.119 nan 4.420 nan 0.000 0.218 490 P C 1.766 178.859 177.300 -0.346 0.000 1.149 490 P CA 2.013 64.649 63.100 -0.772 0.000 0.817 490 P CB -0.315 31.041 31.700 -0.573 0.000 0.785 491 G N 0.698 109.340 108.800 -0.263 0.000 2.446 491 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 491 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 491 G C 1.547 176.370 174.900 -0.128 0.000 1.168 491 G CA 0.713 45.724 45.100 -0.149 0.000 0.771 491 G HN 0.257 nan 8.290 nan 0.000 0.551 492 L N 0.348 121.481 121.223 -0.150 0.000 2.046 492 L HA 0.097 4.437 4.340 0.000 0.000 0.208 492 L C 2.709 179.517 176.870 -0.104 0.000 1.077 492 L CA 1.323 56.098 54.840 -0.108 0.000 0.747 492 L CB -0.304 41.695 42.059 -0.100 0.000 0.896 492 L HN 0.213 nan 8.230 nan 0.000 0.432 493 L N -1.002 120.128 121.223 -0.154 0.000 2.083 493 L HA -0.179 4.161 4.340 0.000 0.000 0.209 493 L C 2.757 179.583 176.870 -0.073 0.000 1.083 493 L CA 1.154 55.924 54.840 -0.116 0.000 0.752 493 L CB -0.519 41.442 42.059 -0.164 0.000 0.899 493 L HN 0.219 nan 8.230 nan 0.000 0.433 494 R N -0.401 120.050 120.500 -0.081 0.000 2.115 494 R HA -0.148 4.192 4.340 0.000 0.000 0.230 494 R C 2.217 178.496 176.300 -0.034 0.000 1.111 494 R CA 1.043 57.115 56.100 -0.045 0.000 0.976 494 R CB -0.328 29.946 30.300 -0.043 0.000 0.870 494 R HN 0.205 nan 8.270 nan 0.000 0.445 495 L N 0.768 121.966 121.223 -0.041 0.000 2.093 495 L HA -0.102 4.238 4.340 0.000 0.000 0.208 495 L C 1.993 178.850 176.870 -0.021 0.000 1.085 495 L CA 1.447 56.270 54.840 -0.028 0.000 0.755 495 L CB -0.085 41.956 42.059 -0.030 0.000 0.904 495 L HN 0.101 nan 8.230 nan 0.000 0.435 496 I N -1.254 119.301 120.570 -0.025 0.000 2.202 496 I HA -0.193 3.977 4.170 0.000 0.000 0.242 496 I C 2.476 178.587 176.117 -0.010 0.000 1.091 496 I CA 1.240 62.531 61.300 -0.016 0.000 1.368 496 I CB -1.028 36.962 38.000 -0.017 0.000 1.058 496 I HN 0.341 nan 8.210 nan 0.000 0.410 497 G N 1.183 109.977 108.800 -0.011 0.000 2.469 497 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 497 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 497 G C 1.700 176.599 174.900 -0.002 0.000 1.150 497 G CA 0.752 45.850 45.100 -0.003 0.000 0.763 497 G HN 0.284 nan 8.290 nan 0.000 0.561 498 L N 0.291 121.511 121.223 -0.005 0.000 2.109 498 L HA -0.034 4.306 4.340 0.000 0.000 0.207 498 L C 3.124 179.993 176.870 -0.002 0.000 1.086 498 L CA 1.406 56.245 54.840 -0.003 0.000 0.760 498 L CB -0.606 41.450 42.059 -0.005 0.000 0.910 498 L HN 0.171 nan 8.230 nan 0.000 0.437 499 T N -1.493 113.059 114.554 -0.003 0.000 2.857 499 T HA -0.125 4.225 4.350 0.000 0.000 0.266 499 T C 1.899 176.599 174.700 -0.000 0.000 1.048 499 T CA 1.673 63.772 62.100 -0.002 0.000 1.139 499 T CB -0.175 68.691 68.868 -0.003 0.000 0.874 499 T HN 0.306 nan 8.240 nan 0.000 0.455 500 T N 1.641 116.195 114.554 0.000 0.000 2.857 500 T HA 0.172 4.522 4.350 0.000 0.000 0.266 500 T C 1.315 176.016 174.700 0.003 0.000 1.048 500 T CA 1.069 63.170 62.100 0.002 0.000 1.139 500 T CB -0.704 68.166 68.868 0.003 0.000 0.874 500 T HN 0.538 nan 8.240 nan 0.000 0.455 501 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 0.003 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