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 2xfn_1_B 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 LRLI 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 0.000 175.495 175.510 -0.025 0.000 1.280 3 N CA 0.000 52.935 53.050 -0.191 0.000 0.885 3 N CB 0.000 38.415 38.487 -0.120 0.000 1.341 4 K N 1.141 121.547 120.400 0.011 0.000 2.159 4 K HA 0.634 4.954 4.320 0.000 0.000 0.266 4 K C -0.246 176.391 176.600 0.061 0.000 0.975 4 K CA -0.501 55.808 56.287 0.036 0.000 0.865 4 K CB 2.100 34.608 32.500 0.013 0.000 1.087 4 K HN 0.629 nan 8.250 nan 0.000 0.446 5 C N -1.042 118.299 119.300 0.069 0.000 3.314 5 C HA 0.390 4.850 4.460 0.000 0.000 0.344 5 C C 0.606 175.631 174.990 0.059 0.000 1.461 5 C CA -0.768 58.292 59.018 0.069 0.000 1.249 5 C CB 0.971 28.767 27.740 0.093 0.000 1.632 5 C HN 0.813 nan 8.230 nan 0.000 0.452 6 D N 0.264 120.701 120.400 0.062 0.000 2.149 6 D HA 0.138 4.778 4.640 0.000 0.000 0.206 6 D C 0.346 176.709 176.300 0.105 0.000 0.967 6 D CA 1.704 55.749 54.000 0.075 0.000 0.848 6 D CB 0.280 41.123 40.800 0.070 0.000 0.998 6 D HN 0.497 nan 8.370 nan 0.000 0.474 7 V N 1.301 121.268 119.914 0.088 0.000 2.686 7 V HA 0.260 4.380 4.120 0.000 0.000 0.306 7 V C -0.195 175.930 176.094 0.052 0.000 1.065 7 V CA -0.840 61.515 62.300 0.092 0.000 0.894 7 V CB 2.842 34.708 31.823 0.072 0.000 1.004 7 V HN -0.246 nan 8.190 nan 0.000 0.424 8 V N 5.075 125.014 119.914 0.043 0.000 2.439 8 V HA 0.448 4.568 4.120 0.000 0.000 0.282 8 V C -0.119 175.967 176.094 -0.013 0.000 1.039 8 V CA -0.424 61.872 62.300 -0.006 0.000 0.913 8 V CB 1.894 33.708 31.823 -0.015 0.000 0.983 8 V HN 0.630 nan 8.190 nan 0.000 0.460 9 V N 6.009 125.900 119.914 -0.038 0.000 2.370 9 V HA 0.355 4.475 4.120 0.000 0.000 0.283 9 V C -0.068 175.998 176.094 -0.048 0.000 1.023 9 V CA -0.590 61.692 62.300 -0.029 0.000 0.857 9 V CB 1.858 33.667 31.823 -0.023 0.000 0.985 9 V HN 0.600 nan 8.190 nan 0.000 0.443 10 V N 4.526 124.426 119.914 -0.024 0.000 2.368 10 V HA 0.814 4.934 4.120 0.000 0.000 0.266 10 V C 0.657 176.752 176.094 0.001 0.000 1.045 10 V CA 0.414 62.700 62.300 -0.024 0.000 0.899 10 V CB 0.482 32.308 31.823 0.005 0.000 1.006 10 V HN 1.270 nan 8.190 nan 0.000 0.470 11 G N 3.615 112.402 108.800 -0.021 0.000 3.367 11 G HA2 0.195 4.155 3.960 0.000 0.000 0.686 11 G HA3 0.195 4.155 3.960 0.000 0.000 0.686 11 G C 0.049 174.947 174.900 -0.002 0.000 1.146 11 G CA -0.506 44.595 45.100 0.001 0.000 0.913 11 G HN 1.216 nan 8.290 nan 0.000 0.554 12 G N 0.841 109.637 108.800 -0.006 0.000 4.291 12 G HA2 0.688 4.648 3.960 0.000 0.000 0.304 12 G HA3 0.688 4.648 3.960 0.000 0.000 0.304 12 G C 0.876 175.789 174.900 0.023 0.000 1.264 12 G CA 0.915 46.014 45.100 -0.003 0.000 1.039 12 G HN 1.288 nan 8.290 nan 0.000 0.578 13 G N -0.120 108.706 108.800 0.042 0.000 2.553 13 G HA2 0.337 4.297 3.960 0.000 0.000 0.278 13 G HA3 0.337 4.297 3.960 0.000 0.000 0.278 13 G C 1.185 176.110 174.900 0.043 0.000 1.349 13 G CA -0.745 44.390 45.100 0.058 0.000 1.037 13 G HN 0.154 nan 8.290 nan 0.000 0.508 14 I N -0.595 120.003 120.570 0.047 0.000 2.264 14 I HA -0.207 3.963 4.170 0.000 0.000 0.248 14 I C 3.001 179.141 176.117 0.038 0.000 1.111 14 I CA 1.593 62.914 61.300 0.034 0.000 1.382 14 I CB -0.057 37.967 38.000 0.040 0.000 1.060 14 I HN 0.471 nan 8.210 nan 0.000 0.418 15 S N 0.458 116.194 115.700 0.059 0.000 2.355 15 S HA -0.101 4.369 4.470 0.000 0.000 0.222 15 S C 2.113 176.739 174.600 0.043 0.000 1.031 15 S CA 1.493 59.731 58.200 0.063 0.000 0.993 15 S CB -0.548 62.709 63.200 0.095 0.000 0.859 15 S HN 0.560 nan 8.310 nan 0.000 0.453 16 G N 1.662 110.486 108.800 0.040 0.000 2.418 16 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 16 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 16 G C 1.460 176.361 174.900 0.002 0.000 1.158 16 G CA 0.991 46.103 45.100 0.021 0.000 0.771 16 G HN 0.398 nan 8.290 nan 0.000 0.545 17 M N 1.180 120.780 119.600 0.000 0.000 2.117 17 M HA 0.068 4.548 4.480 0.000 0.000 0.262 17 M C 3.012 179.303 176.300 -0.016 0.000 1.065 17 M CA 1.281 56.571 55.300 -0.017 0.000 1.114 17 M CB -1.315 31.272 32.600 -0.020 0.000 1.361 17 M HN 0.315 nan 8.290 nan 0.000 0.408 18 A N 0.243 123.060 122.820 -0.005 0.000 1.902 18 A HA 0.025 4.345 4.320 0.000 0.000 0.217 18 A C 2.457 180.037 177.584 -0.006 0.000 1.181 18 A CA 2.049 54.083 52.037 -0.005 0.000 0.623 18 A CB -0.880 18.123 19.000 0.006 0.000 0.818 18 A HN 0.469 nan 8.150 nan 0.000 0.443 19 A N -0.067 122.750 122.820 -0.005 0.000 1.877 19 A HA 0.146 4.466 4.320 0.000 0.000 0.216 19 A C 2.518 180.095 177.584 -0.012 0.000 1.186 19 A CA 2.182 54.210 52.037 -0.015 0.000 0.620 19 A CB -1.052 17.941 19.000 -0.012 0.000 0.822 19 A HN 1.058 nan 8.150 nan 0.000 0.443 20 A N -0.412 122.403 122.820 -0.009 0.000 1.930 20 A HA -0.138 4.182 4.320 0.000 0.000 0.217 20 A C 2.136 179.731 177.584 0.019 0.000 1.175 20 A CA 1.937 53.973 52.037 -0.002 0.000 0.627 20 A CB -0.437 18.550 19.000 -0.021 0.000 0.815 20 A HN 0.562 nan 8.150 nan 0.000 0.443 21 K N -0.400 120.000 120.400 0.001 0.000 2.057 21 K HA -0.087 4.233 4.320 0.000 0.000 0.207 21 K C 1.973 178.610 176.600 0.062 0.000 1.049 21 K CA 1.468 57.767 56.287 0.021 0.000 0.931 21 K CB -0.290 32.205 32.500 -0.008 0.000 0.714 21 K HN 0.463 nan 8.250 nan 0.000 0.440 22 L N 1.098 122.335 121.223 0.024 0.000 2.046 22 L HA -0.170 4.170 4.340 0.000 0.000 0.208 22 L C 2.158 179.035 176.870 0.012 0.000 1.077 22 L CA 1.106 55.953 54.840 0.011 0.000 0.747 22 L CB -0.123 41.926 42.059 -0.017 0.000 0.896 22 L HN 0.244 nan 8.230 nan 0.000 0.432 23 L N -1.048 120.183 121.223 0.014 0.000 2.027 23 L HA -0.268 4.072 4.340 0.000 0.000 0.206 23 L C 2.602 179.495 176.870 0.038 0.000 1.074 23 L CA 1.555 56.399 54.840 0.006 0.000 0.745 23 L CB -0.841 41.219 42.059 0.000 0.000 0.898 23 L HN 0.411 nan 8.230 nan 0.000 0.433 24 H N 0.279 119.335 119.070 -0.022 0.000 2.319 24 H HA -0.212 4.344 4.556 0.000 0.000 0.299 24 H C 1.800 177.119 175.328 -0.015 0.000 1.092 24 H CA 2.104 58.142 56.048 -0.015 0.000 1.302 24 H CB 0.022 29.775 29.762 -0.015 0.000 1.373 24 H HN 0.227 nan 8.280 nan 0.000 0.497 25 D N -0.527 119.893 120.400 0.034 0.000 2.218 25 D HA -0.083 4.557 4.640 0.000 0.000 0.204 25 D C 1.737 177.995 176.300 -0.071 0.000 0.976 25 D CA 1.191 55.176 54.000 -0.026 0.000 0.853 25 D CB -0.165 40.657 40.800 0.037 0.000 0.939 25 D HN 0.357 nan 8.370 nan 0.000 0.481 26 S N -1.024 114.642 115.700 -0.057 0.000 2.593 26 S HA 0.271 4.741 4.470 0.000 0.000 0.217 26 S C 1.567 176.124 174.600 -0.073 0.000 0.966 26 S CA 0.511 58.677 58.200 -0.055 0.000 0.914 26 S CB 0.714 63.889 63.200 -0.043 0.000 0.776 26 S HN 0.429 nan 8.310 nan 0.000 0.523 27 G N 1.144 109.873 108.800 -0.118 0.000 2.157 27 G HA2 -0.206 3.754 3.960 0.000 0.000 0.239 27 G HA3 -0.206 3.754 3.960 0.000 0.000 0.239 27 G C -0.032 174.821 174.900 -0.079 0.000 0.982 27 G CA -0.290 44.739 45.100 -0.119 0.000 0.650 27 G HN 0.434 nan 8.290 nan 0.000 0.527 28 L N 0.509 121.700 121.223 -0.054 0.000 2.399 28 L HA 0.410 4.750 4.340 0.000 0.000 0.266 28 L C 0.225 177.102 176.870 0.011 0.000 1.114 28 L CA -1.030 53.802 54.840 -0.013 0.000 0.804 28 L CB 0.571 42.632 42.059 0.003 0.000 1.146 28 L HN -0.004 nan 8.230 nan 0.000 0.451 29 N N 2.000 120.719 118.700 0.031 0.000 2.406 29 N HA 0.258 4.998 4.740 0.000 0.000 0.251 29 N C -0.625 174.925 175.510 0.067 0.000 1.069 29 N CA -0.100 52.984 53.050 0.057 0.000 0.947 29 N CB 1.437 39.953 38.487 0.048 0.000 1.111 29 N HN 0.367 nan 8.380 nan 0.000 0.497 30 V N 0.330 120.294 119.914 0.083 0.000 2.769 30 V HA 0.749 4.869 4.120 0.000 0.000 0.312 30 V C -0.054 176.063 176.094 0.038 0.000 1.058 30 V CA -0.684 61.651 62.300 0.057 0.000 0.952 30 V CB 1.996 33.852 31.823 0.054 0.000 1.019 30 V HN 0.153 nan 8.190 nan 0.000 0.445 31 V N 3.439 123.356 119.914 0.004 0.000 2.709 31 V HA 0.527 4.647 4.120 0.000 0.000 0.308 31 V C -0.424 175.615 176.094 -0.092 0.000 1.062 31 V CA -0.510 61.765 62.300 -0.041 0.000 0.901 31 V CB 2.175 33.965 31.823 -0.056 0.000 1.003 31 V HN 0.852 nan 8.190 nan 0.000 0.425 32 V N 6.138 125.989 119.914 -0.104 0.000 2.370 32 V HA 0.464 4.584 4.120 0.000 0.000 0.283 32 V C -0.235 175.762 176.094 -0.162 0.000 1.023 32 V CA -0.445 61.789 62.300 -0.110 0.000 0.857 32 V CB 1.477 33.256 31.823 -0.073 0.000 0.985 32 V HN 0.607 nan 8.190 nan 0.000 0.443 33 L N 4.609 125.719 121.223 -0.188 0.000 2.265 33 L HA 0.614 4.954 4.340 0.000 0.000 0.289 33 L C -0.175 176.608 176.870 -0.146 0.000 1.033 33 L CA -0.358 54.350 54.840 -0.219 0.000 0.814 33 L CB 1.417 43.306 42.059 -0.284 0.000 1.203 33 L HN 0.621 nan 8.230 nan 0.000 0.423 34 E N 2.383 122.502 120.200 -0.135 0.000 2.176 34 E HA 0.501 4.851 4.350 0.000 0.000 0.267 34 E C 0.274 176.765 176.600 -0.181 0.000 0.893 34 E CA -0.329 55.995 56.400 -0.126 0.000 0.761 34 E CB 2.070 31.720 29.700 -0.083 0.000 1.133 34 E HN 0.551 nan 8.360 nan 0.000 0.409 35 A N 5.399 128.046 122.820 -0.289 0.000 1.898 35 A HA -0.020 4.300 4.320 0.000 0.000 0.216 35 A C 1.050 178.401 177.584 -0.387 0.000 1.181 35 A CA 0.941 52.672 52.037 -0.509 0.000 0.620 35 A CB -0.227 18.070 19.000 -1.171 0.000 0.819 35 A HN 0.615 nan 8.150 nan 0.000 0.442 36 R N 0.133 120.483 120.500 -0.249 0.000 2.649 36 R HA 0.195 4.535 4.340 0.000 0.000 0.270 36 R C 0.217 176.478 176.300 -0.065 0.000 1.105 36 R CA 0.205 56.241 56.100 -0.107 0.000 1.193 36 R CB 0.145 30.425 30.300 -0.033 0.000 1.120 36 R HN 0.486 nan 8.270 nan 0.000 0.561 37 D N 0.617 120.999 120.400 -0.031 0.000 2.324 37 D HA -0.050 4.590 4.640 0.000 0.000 0.235 37 D C -0.068 176.234 176.300 0.003 0.000 1.095 37 D CA 0.178 54.170 54.000 -0.014 0.000 0.871 37 D CB -0.015 40.783 40.800 -0.003 0.000 0.906 37 D HN 0.453 nan 8.370 nan 0.000 0.522 38 R N -1.325 119.179 120.500 0.007 0.000 2.764 38 R HA 0.585 4.925 4.340 0.000 0.000 0.270 38 R C -0.660 175.661 176.300 0.035 0.000 1.014 38 R CA -1.102 55.021 56.100 0.038 0.000 0.904 38 R CB 1.198 31.547 30.300 0.082 0.000 1.236 38 R HN -0.100 nan 8.270 nan 0.000 0.466 39 V N -1.795 118.149 119.914 0.050 0.000 3.234 39 V HA 0.856 4.976 4.120 0.000 0.000 0.317 39 V C 0.935 177.085 176.094 0.093 0.000 1.081 39 V CA 0.379 62.708 62.300 0.048 0.000 1.037 39 V CB 0.800 32.636 31.823 0.021 0.000 1.148 39 V HN 1.192 nan 8.190 nan 0.000 0.453 40 G N -0.840 108.012 108.800 0.087 0.000 2.284 40 G HA2 0.152 4.112 3.960 0.000 0.000 0.216 40 G HA3 0.152 4.112 3.960 0.000 0.000 0.216 40 G C 1.640 176.629 174.900 0.148 0.000 1.009 40 G CA 0.749 45.920 45.100 0.119 0.000 0.625 40 G HN 2.690 nan 8.290 nan 0.000 0.501 41 G N 0.494 109.395 108.800 0.168 0.000 2.574 41 G HA2 -0.381 3.579 3.960 0.000 0.000 0.301 41 G HA3 -0.381 3.579 3.960 0.000 0.000 0.301 41 G C 0.912 175.974 174.900 0.271 0.000 1.166 41 G CA 1.350 46.566 45.100 0.193 0.000 0.971 41 G HN 1.191 nan 8.290 nan 0.000 0.542 42 R N 1.802 122.365 120.500 0.106 0.000 2.323 42 R HA 0.202 4.542 4.340 0.000 0.000 0.198 42 R C 1.183 177.375 176.300 -0.181 0.000 0.988 42 R CA 1.111 57.085 56.100 -0.210 0.000 1.041 42 R CB -0.221 29.933 30.300 -0.242 0.000 0.926 42 R HN 0.729 nan 8.270 nan 0.000 0.476 43 T N -2.441 112.162 114.554 0.081 0.000 2.867 43 T HA 0.363 4.713 4.350 0.000 0.000 0.282 43 T C -0.920 174.012 174.700 0.385 0.000 1.000 43 T CA -0.626 61.577 62.100 0.171 0.000 1.042 43 T CB 1.608 70.543 68.868 0.112 0.000 0.973 43 T HN 0.115 nan 8.240 nan 0.000 0.465 44 Y N 0.984 121.433 120.300 0.249 0.000 2.313 44 Y HA 0.425 4.975 4.550 0.000 0.000 0.320 44 Y C -1.286 174.729 175.900 0.192 0.000 1.171 44 Y CA -0.787 57.461 58.100 0.247 0.000 1.093 44 Y CB 1.499 40.170 38.460 0.353 0.000 1.224 44 Y HN 0.898 nan 8.280 nan 0.000 0.421 45 T N 7.760 122.147 114.554 -0.278 0.000 2.772 45 T HA 0.429 4.779 4.350 0.000 0.000 0.288 45 T C -0.989 173.407 174.700 -0.507 0.000 0.994 45 T CA -0.425 61.515 62.100 -0.267 0.000 0.951 45 T CB 0.709 69.530 68.868 -0.078 0.000 0.933 45 T HN 0.562 nan 8.240 nan 0.000 0.447 46 L N 4.271 125.206 121.223 -0.481 0.000 2.326 46 L HA 0.674 5.014 4.340 0.000 0.000 0.278 46 L C -0.341 176.461 176.870 -0.114 0.000 1.092 46 L CA -0.179 54.462 54.840 -0.332 0.000 0.810 46 L CB 0.557 42.491 42.059 -0.208 0.000 1.153 46 L HN 0.424 nan 8.230 nan 0.000 0.439 47 R N 3.418 123.875 120.500 -0.071 0.000 2.494 47 R HA 0.657 4.997 4.340 0.000 0.000 0.305 47 R C -1.071 175.205 176.300 -0.041 0.000 0.959 47 R CA -0.611 55.470 56.100 -0.032 0.000 0.864 47 R CB 1.341 31.633 30.300 -0.013 0.000 1.159 47 R HN 0.896 nan 8.270 nan 0.000 0.446 48 N N -1.365 117.293 118.700 -0.071 0.000 3.020 48 N HA 0.041 4.781 4.740 0.000 0.000 0.248 48 N C -0.160 175.285 175.510 -0.109 0.000 1.480 48 N CA -0.980 52.025 53.050 -0.076 0.000 0.874 48 N CB 0.767 39.213 38.487 -0.068 0.000 1.433 48 N HN 0.430 nan 8.380 nan 0.000 0.530 49 Q N -0.444 119.304 119.800 -0.087 0.000 2.224 49 Q HA -0.043 4.297 4.340 0.000 0.000 0.203 49 Q C 0.534 176.487 176.000 -0.079 0.000 0.970 49 Q CA 1.109 56.876 55.803 -0.059 0.000 0.865 49 Q CB 0.072 28.788 28.738 -0.037 0.000 0.922 49 Q HN 0.483 nan 8.270 nan 0.000 0.445 50 K N 0.045 120.303 120.400 -0.237 0.000 2.155 50 K HA -0.075 4.245 4.320 0.000 0.000 0.203 50 K C 1.986 178.375 176.600 -0.351 0.000 1.052 50 K CA 1.428 57.474 56.287 -0.401 0.000 0.948 50 K CB 0.152 32.069 32.500 -0.971 0.000 0.728 50 K HN 0.354 nan 8.250 nan 0.000 0.448 51 V N -2.880 116.785 119.914 -0.415 0.000 3.645 51 V HA 0.225 4.345 4.120 0.000 0.000 0.275 51 V C 1.398 177.096 176.094 -0.661 0.000 1.356 51 V CA 0.590 62.607 62.300 -0.471 0.000 1.051 51 V CB 0.184 31.756 31.823 -0.419 0.000 0.828 51 V HN 0.273 nan 8.190 nan 0.000 0.441 52 K N 0.511 120.583 120.400 -0.547 0.000 10.883 52 K HA -0.304 4.016 4.320 0.000 0.000 0.526 52 K C 0.139 176.622 176.600 -0.196 0.000 0.382 52 K CA 2.505 58.507 56.287 -0.476 0.000 1.943 52 K CB -1.428 30.568 32.500 -0.841 0.000 0.766 52 K HN 0.935 nan 8.250 nan 0.000 1.214 53 Y N -1.983 118.161 120.300 -0.260 0.000 2.597 53 Y HA 0.737 5.287 4.550 -0.000 0.000 0.340 53 Y C -1.199 174.659 175.900 -0.071 0.000 1.097 53 Y CA -0.729 57.286 58.100 -0.141 0.000 1.037 53 Y CB 2.013 40.410 38.460 -0.105 0.000 1.305 53 Y HN 0.017 nan 8.280 nan 0.000 0.463 54 V N 2.019 121.996 119.914 0.105 0.000 2.817 54 V HA 0.376 4.496 4.120 0.000 0.000 0.303 54 V C -1.661 174.499 176.094 0.110 0.000 1.151 54 V CA -0.630 61.734 62.300 0.107 0.000 0.929 54 V CB 1.966 33.873 31.823 0.139 0.000 1.030 54 V HN 0.921 nan 8.190 nan 0.000 0.427 55 D N 5.718 126.195 120.400 0.128 0.000 2.325 55 D HA 0.306 4.946 4.640 0.000 0.000 0.251 55 D C 0.827 177.215 176.300 0.146 0.000 1.196 55 D CA 0.197 54.258 54.000 0.102 0.000 0.866 55 D CB 1.911 42.741 40.800 0.050 0.000 1.101 55 D HN 0.525 nan 8.370 nan 0.000 0.476 56 L N 1.513 122.877 121.223 0.235 0.000 2.554 56 L HA 0.200 4.540 4.340 0.000 0.000 0.225 56 L C 1.536 178.802 176.870 0.660 0.000 1.104 56 L CA 0.116 55.196 54.840 0.400 0.000 0.866 56 L CB 0.344 42.658 42.059 0.424 0.000 1.047 56 L HN 0.323 nan 8.230 nan 0.000 0.468 57 G N -0.894 108.223 108.800 0.528 0.000 3.039 57 G HA2 0.442 4.402 3.960 0.000 0.000 0.159 57 G HA3 0.442 4.402 3.960 0.000 0.000 0.159 57 G C -0.197 174.732 174.900 0.048 0.000 1.284 57 G CA -0.104 45.129 45.100 0.221 0.000 0.996 57 G HN 0.081 nan 8.290 nan 0.000 0.592 58 G N -0.769 107.986 108.800 -0.075 0.000 2.391 58 G HA2 0.387 4.347 3.960 0.000 0.000 0.234 58 G HA3 0.387 4.347 3.960 0.000 0.000 0.234 58 G C 0.867 175.729 174.900 -0.063 0.000 1.284 58 G CA 0.984 46.040 45.100 -0.074 0.000 0.873 58 G HN 1.359 nan 8.290 nan 0.000 0.549 59 S N 0.812 116.400 115.700 -0.186 0.000 2.917 59 S HA 0.166 4.636 4.470 0.000 0.000 0.269 59 S C 0.179 174.519 174.600 -0.432 0.000 1.072 59 S CA -0.342 57.657 58.200 -0.334 0.000 0.967 59 S CB 0.176 63.030 63.200 -0.576 0.000 0.906 59 S HN 0.476 nan 8.310 nan 0.000 0.463 60 Y N 3.122 123.377 120.300 -0.075 0.000 2.310 60 Y HA 0.644 5.194 4.550 0.000 0.000 0.326 60 Y C 0.331 176.097 175.900 -0.223 0.000 1.151 60 Y CA -0.654 57.350 58.100 -0.159 0.000 1.195 60 Y CB 1.558 39.966 38.460 -0.087 0.000 1.210 60 Y HN 0.269 nan 8.280 nan 0.000 0.483 61 V N -0.309 119.486 119.914 -0.199 0.000 3.040 61 V HA 1.100 5.220 4.120 0.000 0.000 0.312 61 V C -0.360 175.543 176.094 -0.318 0.000 1.115 61 V CA -0.543 61.562 62.300 -0.325 0.000 0.998 61 V CB 1.656 33.214 31.823 -0.442 0.000 1.042 61 V HN 0.938 nan 8.190 nan 0.000 0.433 62 G N 0.575 109.142 108.800 -0.388 0.000 2.606 62 G HA2 0.724 4.684 3.960 0.000 0.000 0.300 62 G HA3 0.724 4.684 3.960 0.000 0.000 0.300 62 G C -3.436 171.296 174.900 -0.279 0.000 1.360 62 G CA -1.169 43.754 45.100 -0.296 0.000 0.783 62 G HN 0.720 nan 8.290 nan 0.000 0.484 63 P HA 0.123 nan 4.420 nan 0.000 0.265 63 P C 0.748 178.020 177.300 -0.047 0.000 1.187 63 P CA 1.958 65.008 63.100 -0.082 0.000 0.766 63 P CB 0.946 32.629 31.700 -0.029 0.000 0.820 64 T N -1.437 113.119 114.554 0.002 0.000 6.424 64 T HA -0.232 4.118 4.350 0.000 0.000 0.279 64 T C 0.175 174.879 174.700 0.007 0.000 2.176 64 T CA 0.854 63.029 62.100 0.125 0.000 3.628 64 T CB -2.669 66.404 68.868 0.342 0.000 1.165 64 T HN 0.580 nan 8.240 nan 0.000 1.080 65 Q N 1.284 120.918 119.800 -0.276 0.000 3.091 65 Q HA 0.394 4.734 4.340 0.000 0.000 0.301 65 Q C 0.808 176.702 176.000 -0.176 0.000 1.337 65 Q CA -0.515 55.030 55.803 -0.430 0.000 1.083 65 Q CB 0.296 28.603 28.738 -0.718 0.000 1.477 65 Q HN 0.470 nan 8.270 nan 0.000 0.537 66 N N 0.834 119.500 118.700 -0.057 0.000 2.409 66 N HA -0.042 4.698 4.740 0.000 0.000 0.179 66 N C 1.202 176.718 175.510 0.010 0.000 1.032 66 N CA 0.696 53.742 53.050 -0.006 0.000 0.898 66 N CB 0.325 38.833 38.487 0.035 0.000 0.971 66 N HN 0.379 nan 8.380 nan 0.000 0.441 67 R N 0.557 121.066 120.500 0.015 0.000 2.062 67 R HA 0.022 4.362 4.340 0.000 0.000 0.229 67 R C 2.044 178.358 176.300 0.024 0.000 1.128 67 R CA 0.727 56.845 56.100 0.029 0.000 0.960 67 R CB -0.380 29.950 30.300 0.049 0.000 0.855 67 R HN 0.080 nan 8.270 nan 0.000 0.432 68 I N 1.319 121.898 120.570 0.016 0.000 2.286 68 I HA -0.202 3.968 4.170 0.000 0.000 0.248 68 I C 1.838 178.021 176.117 0.110 0.000 1.115 68 I CA 1.401 62.735 61.300 0.056 0.000 1.392 68 I CB -0.071 37.971 38.000 0.069 0.000 1.065 68 I HN 0.102 nan 8.210 nan 0.000 0.418 69 L N 0.214 121.486 121.223 0.083 0.000 2.046 69 L HA -0.188 4.152 4.340 0.000 0.000 0.208 69 L C 2.758 179.673 176.870 0.076 0.000 1.077 69 L CA 1.414 56.321 54.840 0.112 0.000 0.747 69 L CB -0.868 41.210 42.059 0.032 0.000 0.896 69 L HN 0.277 nan 8.230 nan 0.000 0.432 70 R N 0.703 121.227 120.500 0.040 0.000 2.066 70 R HA -0.172 4.168 4.340 0.000 0.000 0.232 70 R C 2.302 178.608 176.300 0.010 0.000 1.131 70 R CA 1.553 57.668 56.100 0.025 0.000 0.955 70 R CB -0.603 29.711 30.300 0.022 0.000 0.851 70 R HN 0.239 nan 8.270 nan 0.000 0.432 71 L N 1.268 122.492 121.223 0.002 0.000 1.989 71 L HA -0.082 4.258 4.340 0.000 0.000 0.211 71 L C 2.448 179.278 176.870 -0.066 0.000 1.071 71 L CA 2.395 57.220 54.840 -0.025 0.000 0.749 71 L CB -0.932 41.112 42.059 -0.025 0.000 0.890 71 L HN 0.250 nan 8.230 nan 0.000 0.431 72 A N -0.724 122.040 122.820 -0.093 0.000 1.902 72 A HA -0.275 4.045 4.320 0.000 0.000 0.217 72 A C 2.462 179.981 177.584 -0.108 0.000 1.181 72 A CA 2.006 53.911 52.037 -0.219 0.000 0.623 72 A CB -0.659 18.091 19.000 -0.418 0.000 0.818 72 A HN 0.525 nan 8.150 nan 0.000 0.443 73 K N -0.263 120.127 120.400 -0.016 0.000 2.057 73 K HA -0.211 4.109 4.320 0.000 0.000 0.207 73 K C 2.063 178.653 176.600 -0.017 0.000 1.049 73 K CA 1.702 57.992 56.287 0.004 0.000 0.931 73 K CB -0.174 32.343 32.500 0.028 0.000 0.714 73 K HN 0.632 nan 8.250 nan 0.000 0.440 74 E N 0.455 120.641 120.200 -0.022 0.000 2.110 74 E HA -0.169 4.181 4.350 0.000 0.000 0.193 74 E C 1.606 178.184 176.600 -0.036 0.000 0.988 74 E CA 0.932 57.319 56.400 -0.022 0.000 0.804 74 E CB 0.021 29.710 29.700 -0.018 0.000 0.745 74 E HN 0.356 nan 8.360 nan 0.000 0.458 75 L N -0.675 120.511 121.223 -0.062 0.000 2.599 75 L HA 0.172 4.512 4.340 0.000 0.000 0.230 75 L C 1.345 178.170 176.870 -0.076 0.000 1.141 75 L CA 0.467 55.261 54.840 -0.077 0.000 0.877 75 L CB 0.213 42.204 42.059 -0.114 0.000 1.009 75 L HN 0.400 nan 8.230 nan 0.000 0.447 76 G N 0.060 108.824 108.800 -0.060 0.000 2.134 76 G HA2 -0.213 3.747 3.960 0.000 0.000 0.209 76 G HA3 -0.213 3.747 3.960 0.000 0.000 0.209 76 G C 0.061 174.932 174.900 -0.047 0.000 0.993 76 G CA -0.412 44.661 45.100 -0.044 0.000 0.669 76 G HN 0.177 nan 8.290 nan 0.000 0.519 77 L N 0.097 121.278 121.223 -0.069 0.000 2.399 77 L HA 0.756 5.096 4.340 0.000 0.000 0.265 77 L C 0.280 177.187 176.870 0.061 0.000 1.089 77 L CA -0.883 53.924 54.840 -0.054 0.000 0.802 77 L CB 1.052 42.972 42.059 -0.231 0.000 1.180 77 L HN 0.033 nan 8.230 nan 0.000 0.454 78 E N 0.338 120.620 120.200 0.137 0.000 2.336 78 E HA 0.463 4.813 4.350 0.000 0.000 0.267 78 E C -0.825 175.932 176.600 0.262 0.000 0.906 78 E CA -0.486 56.015 56.400 0.168 0.000 0.781 78 E CB 2.456 32.226 29.700 0.116 0.000 1.261 78 E HN 0.664 nan 8.360 nan 0.000 0.436 79 T N -1.593 113.064 114.554 0.171 0.000 2.949 79 T HA 0.728 5.078 4.350 0.000 0.000 0.287 79 T C -0.434 174.355 174.700 0.149 0.000 1.034 79 T CA -0.694 61.445 62.100 0.065 0.000 1.018 79 T CB 0.851 69.633 68.868 -0.143 0.000 1.135 79 T HN 0.491 nan 8.240 nan 0.000 0.532 80 Y N -1.490 118.808 120.300 -0.003 0.000 2.609 80 Y HA 0.753 5.303 4.550 0.000 0.000 0.342 80 Y C -0.774 175.128 175.900 0.002 0.000 1.058 80 Y CA -1.560 56.550 58.100 0.016 0.000 1.055 80 Y CB 1.395 39.886 38.460 0.052 0.000 1.292 80 Y HN 0.610 nan 8.280 nan 0.000 0.476 81 K N 2.024 122.487 120.400 0.104 0.000 2.234 81 K HA 0.448 4.768 4.320 0.000 0.000 0.282 81 K C -0.873 175.751 176.600 0.039 0.000 1.039 81 K CA -0.819 55.463 56.287 -0.008 0.000 0.928 81 K CB 1.720 34.244 32.500 0.040 0.000 1.039 81 K HN 0.576 nan 8.250 nan 0.000 0.470 82 V N 3.331 123.206 119.914 -0.066 0.000 2.694 82 V HA -0.115 4.005 4.120 0.000 0.000 0.306 82 V C 0.554 176.680 176.094 0.053 0.000 1.054 82 V CA -0.087 62.222 62.300 0.016 0.000 1.161 82 V CB 0.240 32.045 31.823 -0.031 0.000 0.916 82 V HN 0.733 nan 8.190 nan 0.000 0.490 83 N N 4.032 122.793 118.700 0.102 0.000 2.440 83 N HA 0.015 4.755 4.740 0.000 0.000 0.265 83 N C 0.236 175.762 175.510 0.027 0.000 1.239 83 N CA 0.528 53.628 53.050 0.084 0.000 0.909 83 N CB 0.313 38.877 38.487 0.129 0.000 1.066 83 N HN 0.821 nan 8.380 nan 0.000 0.474 84 E N 2.910 123.116 120.200 0.010 0.000 3.254 84 E HA 0.117 4.467 4.350 0.000 0.000 0.184 84 E C 0.229 176.822 176.600 -0.012 0.000 0.967 84 E CA -0.056 56.331 56.400 -0.021 0.000 1.311 84 E CB 0.267 29.939 29.700 -0.046 0.000 1.071 84 E HN 0.448 nan 8.360 nan 0.000 0.456 85 V N 0.511 120.431 119.914 0.009 0.000 2.323 85 V HA -0.135 3.985 4.120 0.000 0.000 0.244 85 V C 0.924 177.021 176.094 0.004 0.000 1.041 85 V CA 1.558 63.863 62.300 0.008 0.000 1.025 85 V CB -0.060 31.771 31.823 0.013 0.000 0.656 85 V HN 0.244 nan 8.190 nan 0.000 0.451 86 E N -0.661 119.548 120.200 0.016 0.000 3.099 86 E HA 0.404 4.754 4.350 0.000 0.000 0.259 86 E C 0.194 176.801 176.600 0.012 0.000 1.274 86 E CA -0.641 55.772 56.400 0.023 0.000 1.111 86 E CB 0.249 29.977 29.700 0.047 0.000 1.327 86 E HN 0.287 nan 8.360 nan 0.000 0.652 87 R N 0.121 120.652 120.500 0.052 0.000 2.490 87 R HA 0.324 4.664 4.340 0.000 0.000 0.278 87 R C -0.479 175.781 176.300 -0.066 0.000 1.069 87 R CA -0.595 55.512 56.100 0.010 0.000 1.080 87 R CB 0.183 30.557 30.300 0.123 0.000 1.030 87 R HN 0.174 nan 8.270 nan 0.000 0.491 88 L N 2.353 123.365 121.223 -0.352 0.000 2.456 88 L HA 0.390 4.730 4.340 0.000 0.000 0.257 88 L C 0.162 176.827 176.870 -0.342 0.000 1.162 88 L CA 0.139 54.679 54.840 -0.500 0.000 0.808 88 L CB 0.544 41.969 42.059 -1.056 0.000 1.136 88 L HN 0.452 nan 8.230 nan 0.000 0.466 89 I N 0.232 120.739 120.570 -0.104 0.000 2.509 89 I HA 0.285 4.455 4.170 0.000 0.000 0.293 89 I C -0.595 175.828 176.117 0.511 0.000 1.020 89 I CA -0.510 60.884 61.300 0.156 0.000 1.088 89 I CB 1.588 39.528 38.000 -0.101 0.000 1.267 89 I HN 0.541 nan 8.210 nan 0.000 0.430 90 H N 5.148 124.536 119.070 0.530 0.000 2.551 90 H HA 0.326 4.882 4.556 -0.000 0.000 0.321 90 H C -1.321 174.240 175.328 0.389 0.000 1.028 90 H CA -0.744 55.549 56.048 0.408 0.000 1.215 90 H CB 0.966 30.871 29.762 0.238 0.000 1.414 90 H HN 0.609 nan 8.280 nan 0.000 0.480 91 H N 4.540 123.727 119.070 0.196 0.000 2.556 91 H HA 0.382 4.938 4.556 0.000 0.000 0.310 91 H C -1.336 173.974 175.328 -0.029 0.000 1.057 91 H CA -0.428 55.670 56.048 0.082 0.000 1.264 91 H CB 0.881 30.697 29.762 0.088 0.000 1.404 91 H HN 0.355 nan 8.280 nan 0.000 0.462 92 V N 5.486 125.249 119.914 -0.252 0.000 2.808 92 V HA 0.294 4.414 4.120 0.000 0.000 0.308 92 V C -0.818 175.209 176.094 -0.110 0.000 1.099 92 V CA -0.962 61.229 62.300 -0.182 0.000 0.920 92 V CB 1.561 33.189 31.823 -0.325 0.000 1.014 92 V HN 0.995 nan 8.190 nan 0.000 0.425 93 K N 4.728 125.098 120.400 -0.051 0.000 3.156 93 K HA -0.212 4.108 4.320 0.000 0.000 0.266 93 K C 0.963 177.527 176.600 -0.060 0.000 0.966 93 K CA 1.076 57.352 56.287 -0.018 0.000 0.719 93 K CB -1.867 30.639 32.500 0.011 0.000 1.333 93 K HN 2.252 nan 8.250 nan 0.000 0.468 94 G N -0.234 108.484 108.800 -0.137 0.000 2.148 94 G HA2 -0.362 3.598 3.960 0.000 0.000 0.254 94 G HA3 -0.362 3.598 3.960 0.000 0.000 0.254 94 G C -0.061 174.665 174.900 -0.290 0.000 0.981 94 G CA 0.971 46.009 45.100 -0.102 0.000 0.670 94 G HN 0.502 nan 8.290 nan 0.000 0.528 95 K N 0.023 120.060 120.400 -0.605 0.000 2.464 95 K HA 0.618 4.938 4.320 0.000 0.000 0.253 95 K C -0.413 175.830 176.600 -0.596 0.000 0.933 95 K CA -0.521 55.482 56.287 -0.473 0.000 0.801 95 K CB 1.365 33.651 32.500 -0.357 0.000 1.271 95 K HN 0.051 nan 8.250 nan 0.000 0.430 96 S N 2.349 117.873 115.700 -0.292 0.000 2.499 96 S HA 0.350 4.820 4.470 0.000 0.000 0.279 96 S C -1.317 173.088 174.600 -0.325 0.000 1.219 96 S CA -0.353 57.797 58.200 -0.084 0.000 1.062 96 S CB 0.216 63.457 63.200 0.069 0.000 0.978 96 S HN 0.389 nan 8.310 nan 0.000 0.489 97 Y N 2.784 123.167 120.300 0.137 0.000 2.388 97 Y HA 0.365 4.915 4.550 0.000 0.000 0.328 97 Y C -2.469 173.626 175.900 0.325 0.000 0.963 97 Y CA -2.365 55.857 58.100 0.203 0.000 1.240 97 Y CB 0.980 39.553 38.460 0.189 0.000 1.118 97 Y HN 0.462 nan 8.280 nan 0.000 0.484 98 P HA 0.303 nan 4.420 nan 0.000 0.278 98 P C -0.961 176.631 177.300 0.486 0.000 1.238 98 P CA -0.176 63.154 63.100 0.384 0.000 0.794 98 P CB 0.692 32.612 31.700 0.367 0.000 0.955 99 F N -0.886 119.188 119.950 0.206 0.000 2.711 99 F HA 0.723 5.250 4.527 0.000 0.000 0.313 99 F C -0.984 174.894 175.800 0.130 0.000 1.141 99 F CA -1.303 56.804 58.000 0.179 0.000 0.941 99 F CB 1.498 40.604 39.000 0.178 0.000 1.349 99 F HN 0.049 nan 8.300 nan 0.000 0.464 100 R N 0.754 121.366 120.500 0.188 0.000 2.888 100 R HA 0.792 5.132 4.340 0.000 0.000 0.266 100 R C -0.253 176.167 176.300 0.200 0.000 1.020 100 R CA -0.744 55.382 56.100 0.043 0.000 0.963 100 R CB 1.728 32.062 30.300 0.057 0.000 1.197 100 R HN 1.443 nan 8.270 nan 0.000 0.481 101 G N 1.012 109.871 108.800 0.098 0.000 2.728 101 G HA2 -0.180 3.780 3.960 0.000 0.000 0.294 101 G HA3 -0.180 3.780 3.960 0.000 0.000 0.294 101 G C -2.265 172.734 174.900 0.164 0.000 1.342 101 G CA -0.639 44.538 45.100 0.130 0.000 0.866 101 G HN 0.474 nan 8.290 nan 0.000 0.534 102 P HA 0.291 nan 4.420 nan 0.000 0.238 102 P C 0.290 177.373 177.300 -0.363 0.000 1.183 102 P CA 0.659 63.660 63.100 -0.166 0.000 0.813 102 P CB 0.271 31.733 31.700 -0.395 0.000 0.944 103 F N 0.903 120.813 119.950 -0.067 0.000 2.469 103 F HA 0.488 5.015 4.527 0.000 0.000 0.332 103 F C -2.174 173.357 175.800 -0.448 0.000 1.103 103 F CA -3.038 54.797 58.000 -0.275 0.000 0.979 103 F CB 0.700 39.436 39.000 -0.441 0.000 1.137 103 F HN -0.332 nan 8.300 nan 0.000 0.463 104 P HA 0.167 nan 4.420 nan 0.000 0.271 104 P C -2.554 174.468 177.300 -0.464 0.000 1.218 104 P CA -1.047 61.357 63.100 -1.159 0.000 0.780 104 P CB -0.069 31.038 31.700 -0.990 0.000 0.901 105 P HA 0.096 nan 4.420 nan 0.000 0.269 105 P C -0.847 176.266 177.300 -0.313 0.000 1.209 105 P CA 0.195 63.131 63.100 -0.273 0.000 0.776 105 P CB 0.404 32.025 31.700 -0.130 0.000 0.876 106 V N 2.365 122.023 119.914 -0.426 0.000 2.540 106 V HA 0.273 4.393 4.120 0.000 0.000 0.302 106 V C -0.029 175.898 176.094 -0.278 0.000 1.035 106 V CA -0.209 61.893 62.300 -0.329 0.000 0.873 106 V CB 1.785 33.322 31.823 -0.477 0.000 0.992 106 V HN 0.690 nan 8.190 nan 0.000 0.428 107 W N 0.820 122.123 121.300 0.005 0.000 2.699 107 W HA 0.209 4.869 4.660 -0.000 0.000 0.265 107 W C 1.365 177.899 176.519 0.024 0.000 1.210 107 W CA -0.075 57.288 57.345 0.031 0.000 1.414 107 W CB 0.262 29.724 29.460 0.003 0.000 1.043 107 W HN 0.521 nan 8.180 nan 0.000 0.599 108 N N 3.137 121.965 118.700 0.213 0.000 2.454 108 N HA -0.052 4.688 4.740 0.000 0.000 0.260 108 N C -1.331 174.249 175.510 0.116 0.000 1.218 108 N CA -0.346 52.786 53.050 0.137 0.000 0.904 108 N CB 1.474 40.023 38.487 0.103 0.000 1.065 108 N HN -0.102 nan 8.380 nan 0.000 0.462 109 P HA -0.122 nan 4.420 nan 0.000 0.218 109 P C 1.534 178.887 177.300 0.087 0.000 1.149 109 P CA 0.751 63.875 63.100 0.040 0.000 0.817 109 P CB 0.394 32.095 31.700 0.002 0.000 0.785 110 I N 0.433 121.051 120.570 0.080 0.000 2.233 110 I HA -0.124 4.046 4.170 0.000 0.000 0.243 110 I C 2.317 178.505 176.117 0.119 0.000 1.093 110 I CA 1.548 62.896 61.300 0.080 0.000 1.380 110 I CB -2.208 35.833 38.000 0.069 0.000 1.067 110 I HN -0.008 nan 8.210 nan 0.000 0.413 111 T N 0.384 115.017 114.554 0.132 0.000 2.720 111 T HA -0.256 4.094 4.350 0.000 0.000 0.268 111 T C 1.915 176.718 174.700 0.172 0.000 1.037 111 T CA 1.528 63.730 62.100 0.170 0.000 1.144 111 T CB -0.677 68.261 68.868 0.115 0.000 0.864 111 T HN 0.253 nan 8.240 nan 0.000 0.444 112 Y N 1.854 122.141 120.300 -0.021 0.000 2.114 112 Y HA -0.147 4.403 4.550 -0.000 0.000 0.282 112 Y C 2.082 177.983 175.900 0.003 0.000 1.165 112 Y CA 1.201 59.265 58.100 -0.061 0.000 1.148 112 Y CB -0.537 37.862 38.460 -0.101 0.000 0.972 112 Y HN 0.125 nan 8.280 nan 0.000 0.504 113 L N -0.420 120.957 121.223 0.256 0.000 2.046 113 L HA -0.217 4.123 4.340 0.000 0.000 0.208 113 L C 2.174 179.083 176.870 0.066 0.000 1.077 113 L CA 1.750 56.675 54.840 0.142 0.000 0.747 113 L CB -0.631 41.474 42.059 0.076 0.000 0.896 113 L HN 0.215 nan 8.230 nan 0.000 0.432 114 D N -0.820 119.636 120.400 0.094 0.000 2.097 114 D HA -0.199 4.441 4.640 0.000 0.000 0.195 114 D C 2.193 178.538 176.300 0.075 0.000 0.989 114 D CA 1.294 55.346 54.000 0.086 0.000 0.827 114 D CB 0.058 40.931 40.800 0.122 0.000 0.966 114 D HN 0.303 nan 8.370 nan 0.000 0.456 115 H N -0.334 118.714 119.070 -0.038 0.000 2.321 115 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 115 H C 2.143 177.477 175.328 0.010 0.000 1.087 115 H CA 1.132 57.162 56.048 -0.030 0.000 1.319 115 H CB -0.149 29.591 29.762 -0.037 0.000 1.379 115 H HN 0.279 nan 8.280 nan 0.000 0.501 116 N N 1.205 119.913 118.700 0.014 0.000 2.104 116 N HA -0.182 4.558 4.740 0.000 0.000 0.190 116 N C 1.785 177.277 175.510 -0.031 0.000 1.024 116 N CA 0.887 53.893 53.050 -0.074 0.000 0.853 116 N CB -0.222 38.157 38.487 -0.180 0.000 1.008 116 N HN 0.405 nan 8.380 nan 0.000 0.424 117 N N -0.149 118.538 118.700 -0.022 0.000 2.244 117 N HA -0.171 4.569 4.740 0.000 0.000 0.183 117 N C 1.848 177.318 175.510 -0.067 0.000 1.016 117 N CA 0.613 53.637 53.050 -0.044 0.000 0.866 117 N CB -0.231 38.240 38.487 -0.027 0.000 0.980 117 N HN 0.252 nan 8.380 nan 0.000 0.430 118 F N 0.621 120.443 119.950 -0.213 0.000 2.075 118 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 118 F C 1.732 177.320 175.800 -0.352 0.000 1.113 118 F CA 1.526 59.313 58.000 -0.356 0.000 1.218 118 F CB -0.900 37.744 39.000 -0.593 0.000 0.984 118 F HN 0.031 nan 8.300 nan 0.000 0.472 119 W N 0.752 121.755 121.300 -0.494 0.000 2.358 119 W HA -0.097 4.563 4.660 0.000 0.000 0.303 119 W C 2.838 179.062 176.519 -0.493 0.000 1.208 119 W CA 1.537 58.501 57.345 -0.635 0.000 1.274 119 W CB -0.694 28.492 29.460 -0.456 0.000 1.138 119 W HN -0.055 nan 8.180 nan 0.000 0.515 120 R N 0.088 120.508 120.500 -0.134 0.000 2.091 120 R HA -0.163 4.177 4.340 0.000 0.000 0.238 120 R C 1.889 178.077 176.300 -0.188 0.000 1.136 120 R CA 2.177 58.182 56.100 -0.158 0.000 0.959 120 R CB -0.639 29.573 30.300 -0.146 0.000 0.856 120 R HN 0.050 nan 8.270 nan 0.000 0.437 121 T N 1.057 115.474 114.554 -0.229 0.000 2.821 121 T HA -0.075 4.275 4.350 0.000 0.000 0.267 121 T C 1.802 176.339 174.700 -0.271 0.000 1.046 121 T CA 1.188 63.159 62.100 -0.215 0.000 1.139 121 T CB -0.012 68.747 68.868 -0.182 0.000 0.871 121 T HN 0.178 nan 8.240 nan 0.000 0.454 122 M N 1.503 120.863 119.600 -0.400 0.000 2.108 122 M HA -0.095 4.385 4.480 0.000 0.000 0.261 122 M C 1.755 177.924 176.300 -0.219 0.000 1.066 122 M CA 1.471 56.563 55.300 -0.346 0.000 1.107 122 M CB -0.932 31.412 32.600 -0.427 0.000 1.356 122 M HN 0.178 nan 8.290 nan 0.000 0.406 123 D N 0.436 120.724 120.400 -0.185 0.000 2.149 123 D HA -0.108 4.532 4.640 0.000 0.000 0.201 123 D C 1.575 177.805 176.300 -0.116 0.000 0.972 123 D CA 0.960 54.878 54.000 -0.137 0.000 0.835 123 D CB -0.263 40.466 40.800 -0.119 0.000 0.966 123 D HN 0.279 nan 8.370 nan 0.000 0.476 124 D N 0.388 120.718 120.400 -0.116 0.000 2.123 124 D HA -0.112 4.528 4.640 0.000 0.000 0.196 124 D C 2.190 178.475 176.300 -0.024 0.000 0.992 124 D CA 0.782 54.739 54.000 -0.071 0.000 0.833 124 D CB -0.209 40.550 40.800 -0.068 0.000 0.954 124 D HN 0.249 nan 8.370 nan 0.000 0.455 125 M N 0.148 119.706 119.600 -0.069 0.000 2.132 125 M HA -0.036 4.444 4.480 0.000 0.000 0.263 125 M C 2.352 178.694 176.300 0.069 0.000 1.065 125 M CA 1.597 56.881 55.300 -0.027 0.000 1.122 125 M CB -0.455 31.870 32.600 -0.459 0.000 1.365 125 M HN 0.019 nan 8.290 nan 0.000 0.411 126 G N 0.355 109.129 108.800 -0.044 0.000 2.450 126 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 126 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 126 G C 1.608 176.502 174.900 -0.011 0.000 1.130 126 G CA 0.654 45.734 45.100 -0.034 0.000 0.760 126 G HN 0.416 nan 8.290 nan 0.000 0.557 127 R N 0.149 120.639 120.500 -0.015 0.000 2.241 127 R HA -0.016 4.324 4.340 0.000 0.000 0.224 127 R C 1.521 177.821 176.300 0.001 0.000 1.101 127 R CA 0.908 56.993 56.100 -0.026 0.000 0.995 127 R CB 0.036 30.315 30.300 -0.034 0.000 0.870 127 R HN 0.298 nan 8.270 nan 0.000 0.463 128 E N 0.243 120.483 120.200 0.065 0.000 2.463 128 E HA 0.123 4.473 4.350 0.000 0.000 0.193 128 E C 0.023 176.644 176.600 0.034 0.000 1.041 128 E CA 0.252 56.681 56.400 0.048 0.000 0.879 128 E CB 0.482 30.229 29.700 0.078 0.000 0.997 128 E HN 0.316 nan 8.360 nan 0.000 0.478 129 I N 2.647 123.252 120.570 0.058 0.000 2.354 129 I HA 0.224 4.394 4.170 0.000 0.000 0.286 129 I C -2.450 173.661 176.117 -0.009 0.000 1.007 129 I CA -2.378 58.954 61.300 0.054 0.000 1.167 129 I CB 1.598 39.699 38.000 0.168 0.000 1.320 129 I HN -0.352 nan 8.210 nan 0.000 0.458 130 P HA 0.126 nan 4.420 nan 0.000 0.267 130 P C 0.538 177.797 177.300 -0.069 0.000 1.209 130 P CA 0.169 63.191 63.100 -0.130 0.000 0.763 130 P CB 0.942 32.512 31.700 -0.217 0.000 0.816 131 S N 2.161 117.838 115.700 -0.039 0.000 2.383 131 S HA -0.175 4.295 4.470 0.000 0.000 0.229 131 S C 1.267 175.952 174.600 0.141 0.000 1.030 131 S CA 1.840 60.096 58.200 0.094 0.000 1.002 131 S CB -0.593 62.562 63.200 -0.076 0.000 0.829 131 S HN 0.678 nan 8.310 nan 0.000 0.467 132 D N 0.408 120.745 120.400 -0.104 0.000 2.339 132 D HA 0.283 4.923 4.640 0.000 0.000 0.217 132 D C 0.227 176.295 176.300 -0.386 0.000 1.050 132 D CA 0.322 54.216 54.000 -0.178 0.000 0.856 132 D CB 0.063 40.702 40.800 -0.269 0.000 0.922 132 D HN 0.268 nan 8.370 nan 0.000 0.518 133 A N 1.131 123.549 122.820 -0.669 0.000 3.208 133 A HA 0.323 4.643 4.320 0.000 0.000 0.252 133 A C -2.229 174.529 177.584 -1.377 0.000 1.225 133 A CA -0.741 50.413 52.037 -1.472 0.000 0.980 133 A CB 0.776 19.249 19.000 -0.878 0.000 1.414 133 A HN -0.087 nan 8.150 nan 0.000 0.721 134 P HA -0.155 nan 4.420 nan 0.000 0.220 134 P C 1.223 178.292 177.300 -0.385 0.000 1.148 134 P CA 1.367 64.118 63.100 -0.582 0.000 0.803 134 P CB -0.315 31.023 31.700 -0.603 0.000 0.782 135 W N 0.972 122.194 121.300 -0.130 0.000 2.721 135 W HA 0.110 4.770 4.660 -0.000 0.000 0.245 135 W C 1.213 177.685 176.519 -0.078 0.000 1.276 135 W CA 0.355 57.645 57.345 -0.091 0.000 1.342 135 W CB -1.424 27.978 29.460 -0.097 0.000 1.135 135 W HN -0.103 nan 8.180 nan 0.000 0.654 136 K N 0.784 120.982 120.400 -0.336 0.000 2.374 136 K HA 0.341 4.661 4.320 0.000 0.000 0.196 136 K C 0.981 177.486 176.600 -0.158 0.000 1.023 136 K CA 0.120 56.301 56.287 -0.178 0.000 1.103 136 K CB 0.041 32.406 32.500 -0.225 0.000 0.848 136 K HN 0.095 nan 8.250 nan 0.000 0.528 137 A N 2.289 125.013 122.820 -0.160 0.000 2.498 137 A HA 0.098 4.418 4.320 0.000 0.000 0.239 137 A C -1.611 175.845 177.584 -0.214 0.000 1.068 137 A CA -0.982 50.958 52.037 -0.162 0.000 0.766 137 A CB 0.092 19.021 19.000 -0.119 0.000 1.003 137 A HN -0.021 nan 8.150 nan 0.000 0.497 138 P HA -0.101 nan 4.420 nan 0.000 0.216 138 P C 0.487 177.591 177.300 -0.327 0.000 1.150 138 P CA 1.213 64.172 63.100 -0.234 0.000 0.837 138 P CB 0.047 31.620 31.700 -0.211 0.000 0.786 139 L N -1.993 118.877 121.223 -0.589 0.000 2.984 139 L HA 0.355 4.695 4.340 0.000 0.000 0.246 139 L C 1.801 178.299 176.870 -0.621 0.000 1.268 139 L CA -0.324 54.075 54.840 -0.734 0.000 1.054 139 L CB -0.506 40.780 42.059 -1.287 0.000 1.393 139 L HN -0.102 nan 8.230 nan 0.000 0.532 140 A N 0.491 123.122 122.820 -0.315 0.000 1.892 140 A HA -0.217 4.103 4.320 0.000 0.000 0.218 140 A C 2.187 179.773 177.584 0.003 0.000 1.188 140 A CA 1.737 53.718 52.037 -0.093 0.000 0.631 140 A CB -0.146 18.845 19.000 -0.015 0.000 0.822 140 A HN 0.516 nan 8.150 nan 0.000 0.447 141 E N -0.984 119.200 120.200 -0.026 0.000 2.047 141 E HA -0.209 4.141 4.350 0.000 0.000 0.191 141 E C 2.142 178.776 176.600 0.057 0.000 0.987 141 E CA 1.142 57.559 56.400 0.028 0.000 0.799 141 E CB -0.196 29.506 29.700 0.005 0.000 0.752 141 E HN 0.821 nan 8.360 nan 0.000 0.449 142 E N 0.118 120.319 120.200 0.002 0.000 2.058 142 E HA -0.208 4.142 4.350 0.000 0.000 0.194 142 E C 1.706 178.471 176.600 0.275 0.000 0.997 142 E CA 1.258 57.708 56.400 0.083 0.000 0.801 142 E CB -0.003 29.701 29.700 0.006 0.000 0.746 142 E HN 0.286 nan 8.360 nan 0.000 0.450 143 W N 0.911 122.255 121.300 0.072 0.000 2.436 143 W HA -0.012 4.648 4.660 0.000 0.000 0.284 143 W C 1.934 178.527 176.519 0.123 0.000 1.225 143 W CA 0.643 58.044 57.345 0.094 0.000 1.271 143 W CB -1.000 28.515 29.460 0.092 0.000 1.114 143 W HN 0.215 nan 8.180 nan 0.000 0.559 144 D N -0.187 120.415 120.400 0.337 0.000 2.269 144 D HA -0.128 4.512 4.640 0.000 0.000 0.208 144 D C 1.294 177.727 176.300 0.222 0.000 0.963 144 D CA 0.957 55.121 54.000 0.274 0.000 0.864 144 D CB -0.209 40.725 40.800 0.224 0.000 0.936 144 D HN -0.093 nan 8.370 nan 0.000 0.505 145 N N -0.203 118.611 118.700 0.191 0.000 2.398 145 N HA 0.082 4.822 4.740 0.000 0.000 0.188 145 N C 0.115 175.709 175.510 0.141 0.000 1.122 145 N CA 0.149 53.286 53.050 0.146 0.000 0.866 145 N CB 0.020 38.574 38.487 0.112 0.000 0.970 145 N HN 0.464 nan 8.380 nan 0.000 0.462 146 M N -1.318 118.382 119.600 0.168 0.000 2.598 146 M HA 0.500 4.980 4.480 0.000 0.000 0.317 146 M C 0.082 176.467 176.300 0.142 0.000 1.179 146 M CA -0.855 54.527 55.300 0.137 0.000 0.936 146 M CB 1.798 34.476 32.600 0.130 0.000 1.713 146 M HN -0.129 nan 8.290 nan 0.000 0.460 147 T N -0.952 113.667 114.554 0.109 0.000 2.816 147 T HA 0.293 4.643 4.350 0.000 0.000 0.282 147 T C 1.037 175.780 174.700 0.072 0.000 0.993 147 T CA -0.842 61.320 62.100 0.104 0.000 0.994 147 T CB 0.842 69.761 68.868 0.085 0.000 1.025 147 T HN 0.773 nan 8.240 nan 0.000 0.529 148 M N 0.138 119.764 119.600 0.043 0.000 2.296 148 M HA 0.021 4.501 4.480 0.000 0.000 0.265 148 M C 2.171 178.444 176.300 -0.045 0.000 1.064 148 M CA 1.417 56.704 55.300 -0.021 0.000 1.109 148 M CB -1.248 31.261 32.600 -0.151 0.000 1.396 148 M HN 0.849 nan 8.290 nan 0.000 0.430 149 K N 0.560 120.943 120.400 -0.029 0.000 2.057 149 K HA -0.173 4.147 4.320 0.000 0.000 0.207 149 K C 1.679 178.266 176.600 -0.022 0.000 1.049 149 K CA 1.424 57.696 56.287 -0.025 0.000 0.931 149 K CB 0.070 32.587 32.500 0.028 0.000 0.714 149 K HN 0.368 nan 8.250 nan 0.000 0.440 150 E N 0.574 120.776 120.200 0.002 0.000 2.085 150 E HA -0.222 4.128 4.350 0.000 0.000 0.194 150 E C 2.031 178.626 176.600 -0.009 0.000 0.994 150 E CA 1.174 57.574 56.400 0.001 0.000 0.801 150 E CB -0.125 29.592 29.700 0.028 0.000 0.743 150 E HN 0.189 nan 8.360 nan 0.000 0.453 151 L N 1.061 122.281 121.223 -0.004 0.000 2.046 151 L HA -0.157 4.183 4.340 0.000 0.000 0.208 151 L C 2.067 178.924 176.870 -0.021 0.000 1.077 151 L CA 1.524 56.354 54.840 -0.015 0.000 0.747 151 L CB -0.312 41.729 42.059 -0.030 0.000 0.896 151 L HN 0.114 nan 8.230 nan 0.000 0.432 152 L N -0.789 120.411 121.223 -0.037 0.000 2.083 152 L HA -0.196 4.144 4.340 0.000 0.000 0.209 152 L C 2.161 178.971 176.870 -0.099 0.000 1.083 152 L CA 1.147 55.939 54.840 -0.079 0.000 0.752 152 L CB -0.903 41.068 42.059 -0.147 0.000 0.899 152 L HN 0.276 nan 8.230 nan 0.000 0.433 153 D N 0.318 120.665 120.400 -0.090 0.000 2.144 153 D HA -0.148 4.492 4.640 0.000 0.000 0.199 153 D C 2.201 178.421 176.300 -0.133 0.000 0.984 153 D CA 1.140 55.072 54.000 -0.114 0.000 0.834 153 D CB 0.047 40.791 40.800 -0.093 0.000 0.955 153 D HN 0.277 nan 8.370 nan 0.000 0.465 154 K N -0.114 120.236 120.400 -0.083 0.000 2.031 154 K HA 0.056 4.376 4.320 0.000 0.000 0.205 154 K C 2.196 178.786 176.600 -0.016 0.000 1.049 154 K CA 0.546 56.797 56.287 -0.060 0.000 0.939 154 K CB 0.073 32.571 32.500 -0.004 0.000 0.717 154 K HN 0.110 nan 8.250 nan 0.000 0.438 155 L N 0.286 121.523 121.223 0.023 0.000 2.209 155 L HA 0.000 4.340 4.340 0.000 0.000 0.207 155 L C 0.618 177.591 176.870 0.171 0.000 1.094 155 L CA 0.025 54.934 54.840 0.114 0.000 0.790 155 L CB 0.210 42.327 42.059 0.098 0.000 0.932 155 L HN 0.147 nan 8.230 nan 0.000 0.447 156 C N -0.232 119.086 119.300 0.030 0.000 2.281 156 C HA 0.104 4.564 4.460 0.000 0.000 0.336 156 C C 0.870 175.878 174.990 0.030 0.000 1.217 156 C CA -0.933 58.091 59.018 0.010 0.000 1.730 156 C CB -0.715 26.926 27.740 -0.165 0.000 2.338 156 C HN 0.470 nan 8.230 nan 0.000 0.521 157 W N 1.891 123.155 121.300 -0.059 0.000 3.139 157 W HA 0.118 4.778 4.660 -0.000 0.000 0.260 157 W C 1.448 177.949 176.519 -0.031 0.000 1.312 157 W CA 0.147 57.471 57.345 -0.034 0.000 1.606 157 W CB -0.139 29.312 29.460 -0.014 0.000 1.118 157 W HN 0.671 nan 8.180 nan 0.000 0.675 158 T N -3.457 111.177 114.554 0.132 0.000 2.885 158 T HA 0.290 4.640 4.350 0.000 0.000 0.285 158 T C 0.854 175.549 174.700 -0.008 0.000 1.019 158 T CA -0.635 61.510 62.100 0.074 0.000 1.010 158 T CB 2.553 71.486 68.868 0.109 0.000 1.022 158 T HN -0.225 nan 8.240 nan 0.000 0.466 159 E N 1.175 121.372 120.200 -0.004 0.000 2.153 159 E HA -0.111 4.239 4.350 0.000 0.000 0.194 159 E C 2.126 178.709 176.600 -0.028 0.000 0.988 159 E CA 1.252 57.634 56.400 -0.029 0.000 0.811 159 E CB -0.437 29.258 29.700 -0.010 0.000 0.746 159 E HN 0.741 nan 8.360 nan 0.000 0.466 160 S N 0.513 116.231 115.700 0.031 0.000 2.359 160 S HA -0.170 4.300 4.470 0.000 0.000 0.224 160 S C 2.078 176.658 174.600 -0.033 0.000 1.035 160 S CA 1.561 59.827 58.200 0.110 0.000 1.018 160 S CB -0.094 63.263 63.200 0.262 0.000 0.876 160 S HN 0.298 nan 8.310 nan 0.000 0.448 161 A N 1.220 123.881 122.820 -0.265 0.000 1.902 161 A HA -0.062 4.258 4.320 0.000 0.000 0.217 161 A C 2.190 179.406 177.584 -0.613 0.000 1.181 161 A CA 1.799 53.357 52.037 -0.798 0.000 0.623 161 A CB -0.742 17.867 19.000 -0.651 0.000 0.818 161 A HN 0.633 nan 8.150 nan 0.000 0.443 162 K N -0.554 119.617 120.400 -0.381 0.000 2.057 162 K HA -0.216 4.104 4.320 0.000 0.000 0.207 162 K C 2.271 178.709 176.600 -0.270 0.000 1.049 162 K CA 1.769 57.852 56.287 -0.340 0.000 0.931 162 K CB -0.173 32.202 32.500 -0.208 0.000 0.714 162 K HN 0.648 nan 8.250 nan 0.000 0.440 163 Q N 0.275 119.976 119.800 -0.165 0.000 2.046 163 Q HA -0.166 4.174 4.340 0.000 0.000 0.200 163 Q C 2.108 178.072 176.000 -0.060 0.000 0.975 163 Q CA 1.341 57.102 55.803 -0.071 0.000 0.836 163 Q CB -0.098 28.645 28.738 0.008 0.000 0.896 163 Q HN 0.209 nan 8.270 nan 0.000 0.428 164 L N 0.463 121.629 121.223 -0.094 0.000 2.093 164 L HA -0.069 4.271 4.340 0.000 0.000 0.208 164 L C 2.127 178.913 176.870 -0.140 0.000 1.085 164 L CA 1.813 56.639 54.840 -0.023 0.000 0.755 164 L CB -0.671 41.420 42.059 0.053 0.000 0.904 164 L HN 0.146 nan 8.230 nan 0.000 0.435 165 A N -1.605 120.900 122.820 -0.525 0.000 1.933 165 A HA -0.207 4.113 4.320 0.000 0.000 0.218 165 A C 2.260 179.721 177.584 -0.206 0.000 1.175 165 A CA 2.271 53.902 52.037 -0.677 0.000 0.628 165 A CB -1.156 16.967 19.000 -1.461 0.000 0.814 165 A HN 0.499 nan 8.150 nan 0.000 0.444 166 T N 0.075 114.514 114.554 -0.191 0.000 2.708 166 T HA -0.124 4.226 4.350 0.000 0.000 0.266 166 T C 1.857 176.547 174.700 -0.017 0.000 1.037 166 T CA 1.376 63.413 62.100 -0.105 0.000 1.146 166 T CB -0.391 68.426 68.868 -0.084 0.000 0.865 166 T HN 0.390 nan 8.240 nan 0.000 0.435 167 L N 0.140 121.393 121.223 0.051 0.000 2.042 167 L HA -0.092 4.248 4.340 0.000 0.000 0.210 167 L C 2.227 179.190 176.870 0.155 0.000 1.076 167 L CA 1.568 56.479 54.840 0.118 0.000 0.749 167 L CB -0.378 41.788 42.059 0.178 0.000 0.893 167 L HN 0.229 nan 8.230 nan 0.000 0.432 168 F N -0.445 119.545 119.950 0.067 0.000 2.095 168 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 168 F C 2.116 177.996 175.800 0.134 0.000 1.104 168 F CA 2.102 60.204 58.000 0.170 0.000 1.232 168 F CB -0.569 38.618 39.000 0.311 0.000 0.987 168 F HN -0.147 nan 8.300 nan 0.000 0.475 169 V N 1.047 120.919 119.914 -0.070 0.000 2.295 169 V HA -0.354 3.766 4.120 0.000 0.000 0.246 169 V C 2.011 177.967 176.094 -0.230 0.000 1.049 169 V CA 2.468 64.527 62.300 -0.402 0.000 1.024 169 V CB -1.071 30.388 31.823 -0.607 0.000 0.648 169 V HN 0.419 nan 8.190 nan 0.000 0.447 170 N N 0.024 118.637 118.700 -0.145 0.000 2.149 170 N HA -0.199 4.541 4.740 0.000 0.000 0.188 170 N C 1.725 177.178 175.510 -0.094 0.000 1.019 170 N CA 1.265 54.248 53.050 -0.112 0.000 0.857 170 N CB -0.182 38.279 38.487 -0.042 0.000 0.997 170 N HN 0.341 nan 8.380 nan 0.000 0.426 171 L N 0.541 121.731 121.223 -0.055 0.000 2.131 171 L HA 0.044 4.384 4.340 0.000 0.000 0.206 171 L C 1.916 178.790 176.870 0.007 0.000 1.087 171 L CA 1.350 56.171 54.840 -0.033 0.000 0.767 171 L CB -0.464 41.559 42.059 -0.060 0.000 0.917 171 L HN 0.196 nan 8.230 nan 0.000 0.441 172 C N -1.313 117.959 119.300 -0.047 0.000 2.457 172 C HA 0.019 4.479 4.460 0.000 0.000 0.278 172 C C 2.162 177.248 174.990 0.160 0.000 1.309 172 C CA 0.885 59.937 59.018 0.058 0.000 1.735 172 C CB -0.488 27.212 27.740 -0.067 0.000 1.992 172 C HN 0.558 nan 8.230 nan 0.000 0.493 173 V N -2.043 117.881 119.914 0.016 0.000 3.276 173 V HA 0.302 4.422 4.120 0.000 0.000 0.319 173 V C 0.744 176.727 176.094 -0.184 0.000 1.476 173 V CA 0.750 63.030 62.300 -0.034 0.000 1.097 173 V CB -1.330 30.578 31.823 0.141 0.000 0.988 173 V HN 0.506 nan 8.190 nan 0.000 0.473 174 T N -1.398 112.962 114.554 -0.323 0.000 3.760 174 T HA -0.082 4.268 4.350 0.000 0.000 0.366 174 T C 0.130 174.669 174.700 -0.268 0.000 0.761 174 T CA 1.394 63.271 62.100 -0.372 0.000 1.887 174 T CB -2.550 65.951 68.868 -0.612 0.000 1.811 174 T HN 2.484 nan 8.240 nan 0.000 0.749 175 A N -0.250 122.403 122.820 -0.279 0.000 2.587 175 A HA 0.724 5.044 4.320 0.000 0.000 0.293 175 A C -0.405 176.968 177.584 -0.352 0.000 1.087 175 A CA -1.054 50.743 52.037 -0.400 0.000 0.692 175 A CB 1.251 19.794 19.000 -0.761 0.000 1.291 175 A HN 0.352 nan 8.150 nan 0.000 0.407 176 E N 0.595 120.542 120.200 -0.420 0.000 2.373 176 E HA 0.230 4.580 4.350 0.000 0.000 0.263 176 E C 1.258 177.559 176.600 -0.498 0.000 1.073 176 E CA 0.544 56.670 56.400 -0.457 0.000 0.894 176 E CB 0.890 30.133 29.700 -0.763 0.000 1.008 176 E HN 0.806 nan 8.360 nan 0.000 0.420 177 T N -1.271 113.069 114.554 -0.357 0.000 2.833 177 T HA -0.200 4.150 4.350 0.000 0.000 0.269 177 T C 1.382 175.962 174.700 -0.199 0.000 1.054 177 T CA 1.626 63.569 62.100 -0.263 0.000 1.135 177 T CB -0.352 68.412 68.868 -0.174 0.000 0.869 177 T HN 0.616 nan 8.240 nan 0.000 0.466 178 H N 0.345 119.360 119.070 -0.093 0.000 2.551 178 H HA 0.301 4.857 4.556 0.000 0.000 0.266 178 H C 1.415 176.716 175.328 -0.044 0.000 0.977 178 H CA 0.564 56.577 56.048 -0.057 0.000 1.163 178 H CB -0.149 29.579 29.762 -0.056 0.000 1.381 178 H HN 0.493 nan 8.280 nan 0.000 0.581 179 E N 1.371 121.355 120.200 -0.360 0.000 2.299 179 E HA 0.036 4.386 4.350 0.000 0.000 0.193 179 E C 0.786 177.351 176.600 -0.058 0.000 0.998 179 E CA 0.443 56.728 56.400 -0.191 0.000 0.851 179 E CB 0.772 30.201 29.700 -0.452 0.000 0.795 179 E HN 0.361 nan 8.360 nan 0.000 0.492 180 V N -1.135 118.741 119.914 -0.062 0.000 2.667 180 V HA 0.415 4.535 4.120 0.000 0.000 0.308 180 V C -0.002 176.245 176.094 0.255 0.000 1.048 180 V CA -1.174 61.209 62.300 0.139 0.000 0.928 180 V CB 1.858 33.824 31.823 0.239 0.000 1.004 180 V HN -0.044 nan 8.190 nan 0.000 0.444 181 S N 3.216 119.145 115.700 0.380 0.000 2.549 181 S HA 0.429 4.899 4.470 0.000 0.000 0.286 181 S C 1.444 176.309 174.600 0.441 0.000 1.314 181 S CA 0.188 58.624 58.200 0.392 0.000 1.062 181 S CB 0.902 64.375 63.200 0.455 0.000 0.865 181 S HN 1.740 nan 8.310 nan 0.000 0.498 182 A N 4.994 127.999 122.820 0.309 0.000 1.902 182 A HA -0.034 4.286 4.320 0.000 0.000 0.217 182 A C 2.024 179.790 177.584 0.304 0.000 1.181 182 A CA 1.617 53.809 52.037 0.258 0.000 0.623 182 A CB -0.926 18.145 19.000 0.118 0.000 0.818 182 A HN 0.961 nan 8.150 nan 0.000 0.443 183 L N -1.400 120.048 121.223 0.374 0.000 2.012 183 L HA -0.176 4.164 4.340 0.000 0.000 0.210 183 L C 2.233 179.340 176.870 0.395 0.000 1.073 183 L CA 2.607 57.696 54.840 0.415 0.000 0.748 183 L CB -0.804 41.503 42.059 0.413 0.000 0.891 183 L HN 0.658 nan 8.230 nan 0.000 0.431 184 W N -0.572 120.901 121.300 0.288 0.000 2.358 184 W HA -0.290 4.370 4.660 -0.000 0.000 0.303 184 W C 2.333 179.128 176.519 0.460 0.000 1.208 184 W CA 1.964 59.505 57.345 0.327 0.000 1.274 184 W CB -0.649 28.991 29.460 0.299 0.000 1.138 184 W HN 0.302 nan 8.180 nan 0.000 0.515 185 F N 0.638 120.646 119.950 0.098 0.000 2.146 185 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 185 F C 2.076 177.794 175.800 -0.137 0.000 1.096 185 F CA 2.017 59.872 58.000 -0.241 0.000 1.275 185 F CB -0.660 38.347 39.000 0.011 0.000 1.008 185 F HN -0.177 nan 8.300 nan 0.000 0.480 186 L N -1.236 119.983 121.223 -0.006 0.000 2.046 186 L HA -0.219 4.121 4.340 0.000 0.000 0.208 186 L C 2.304 179.086 176.870 -0.146 0.000 1.077 186 L CA 1.664 56.441 54.840 -0.104 0.000 0.747 186 L CB -1.039 40.988 42.059 -0.052 0.000 0.896 186 L HN 0.439 nan 8.230 nan 0.000 0.432 187 W N 0.087 121.253 121.300 -0.223 0.000 2.355 187 W HA -0.305 4.355 4.660 0.000 0.000 0.309 187 W C 2.619 178.920 176.519 -0.364 0.000 1.206 187 W CA 1.511 58.711 57.345 -0.241 0.000 1.284 187 W CB -0.670 28.678 29.460 -0.186 0.000 1.145 187 W HN 0.109 nan 8.180 nan 0.000 0.502 188 Y N 0.556 120.400 120.300 -0.760 0.000 2.128 188 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 188 Y C 2.385 177.729 175.900 -0.927 0.000 1.154 188 Y CA 3.017 60.463 58.100 -1.090 0.000 1.149 188 Y CB -0.780 37.005 38.460 -1.125 0.000 0.976 188 Y HN -0.144 nan 8.280 nan 0.000 0.505 189 V N 1.051 120.542 119.914 -0.704 0.000 2.307 189 V HA -0.323 3.797 4.120 0.000 0.000 0.245 189 V C 2.280 178.048 176.094 -0.544 0.000 1.045 189 V CA 2.366 64.338 62.300 -0.546 0.000 1.024 189 V CB -0.820 30.772 31.823 -0.385 0.000 0.651 189 V HN 0.473 nan 8.190 nan 0.000 0.449 190 K N 2.451 122.551 120.400 -0.500 0.000 2.103 190 K HA -0.261 4.059 4.320 0.000 0.000 0.207 190 K C 1.806 178.067 176.600 -0.566 0.000 1.048 190 K CA 2.174 58.201 56.287 -0.433 0.000 0.930 190 K CB -0.738 31.584 32.500 -0.298 0.000 0.716 190 K HN 0.610 nan 8.250 nan 0.000 0.444 191 Q N -0.465 118.845 119.800 -0.818 0.000 2.444 191 Q HA 0.122 4.462 4.340 0.000 0.000 0.206 191 Q C 0.959 176.430 176.000 -0.881 0.000 0.948 191 Q CA 0.843 56.157 55.803 -0.815 0.000 0.946 191 Q CB -0.349 27.725 28.738 -1.107 0.000 1.027 191 Q HN 0.346 nan 8.270 nan 0.000 0.513 192 C N 0.212 118.856 119.300 -1.093 0.000 2.754 192 C HA 0.618 5.078 4.460 0.000 0.000 0.276 192 C C 1.539 175.814 174.990 -1.193 0.000 1.264 192 C CA 0.148 58.142 59.018 -1.706 0.000 1.700 192 C CB -0.861 25.925 27.740 -1.590 0.000 1.885 192 C HN 0.831 nan 8.230 nan 0.000 0.607 193 G N 0.120 108.521 108.800 -0.665 0.000 2.159 193 G HA2 0.283 4.243 3.960 0.000 0.000 0.227 193 G HA3 0.283 4.243 3.960 0.000 0.000 0.227 193 G C 0.482 175.222 174.900 -0.266 0.000 0.986 193 G CA 0.040 44.919 45.100 -0.368 0.000 0.651 193 G HN 1.642 nan 8.290 nan 0.000 0.523 194 G N -2.019 106.605 108.800 -0.293 0.000 2.566 194 G HA2 0.319 4.279 3.960 0.000 0.000 0.599 194 G HA3 0.319 4.279 3.960 0.000 0.000 0.599 194 G C 1.004 175.861 174.900 -0.071 0.000 1.292 194 G CA 1.017 46.014 45.100 -0.172 0.000 0.922 194 G HN 1.826 nan 8.290 nan 0.000 0.514 195 T N -3.101 111.463 114.554 0.017 0.000 2.737 195 T HA -0.062 4.288 4.350 0.000 0.000 0.265 195 T C 2.351 177.102 174.700 0.085 0.000 1.038 195 T CA 2.844 65.033 62.100 0.149 0.000 1.144 195 T CB -0.769 68.221 68.868 0.204 0.000 0.866 195 T HN 0.918 nan 8.240 nan 0.000 0.434 196 T N 1.349 115.940 114.554 0.062 0.000 2.746 196 T HA -0.025 4.325 4.350 0.000 0.000 0.267 196 T C 2.131 176.813 174.700 -0.030 0.000 1.039 196 T CA 1.477 63.586 62.100 0.015 0.000 1.142 196 T CB -0.298 68.612 68.868 0.070 0.000 0.866 196 T HN 0.293 nan 8.240 nan 0.000 0.444 197 R N 0.880 121.373 120.500 -0.012 0.000 2.092 197 R HA 0.172 4.512 4.340 0.000 0.000 0.231 197 R C 2.182 178.527 176.300 0.074 0.000 1.119 197 R CA 1.061 57.173 56.100 0.020 0.000 0.970 197 R CB -0.760 29.536 30.300 -0.007 0.000 0.864 197 R HN 0.452 nan 8.270 nan 0.000 0.440 198 I N 0.257 120.843 120.570 0.027 0.000 2.439 198 I HA -0.138 4.032 4.170 0.000 0.000 0.251 198 I C 1.293 177.493 176.117 0.139 0.000 1.139 198 I CA 1.045 62.403 61.300 0.096 0.000 1.438 198 I CB 0.096 38.107 38.000 0.019 0.000 1.085 198 I HN 0.291 nan 8.210 nan 0.000 0.427 199 I N -2.295 118.328 120.570 0.087 0.000 3.603 199 I HA 0.178 4.348 4.170 0.000 0.000 0.297 199 I C 0.840 176.915 176.117 -0.069 0.000 1.269 199 I CA 0.089 61.401 61.300 0.021 0.000 1.361 199 I CB -0.379 37.595 38.000 -0.043 0.000 1.063 199 I HN -0.129 nan 8.210 nan 0.000 0.448 200 S N 0.967 116.625 115.700 -0.070 0.000 2.586 200 S HA 0.350 4.820 4.470 0.000 0.000 0.274 200 S C 1.030 175.597 174.600 -0.056 0.000 1.281 200 S CA -0.164 57.984 58.200 -0.086 0.000 1.035 200 S CB 1.478 64.629 63.200 -0.082 0.000 0.962 200 S HN 0.362 nan 8.310 nan 0.000 0.512 201 T N 2.040 116.555 114.554 -0.065 0.000 2.896 201 T HA 0.037 4.387 4.350 0.000 0.000 0.238 201 T C 0.587 175.244 174.700 -0.073 0.000 1.045 201 T CA 0.622 62.671 62.100 -0.085 0.000 1.248 201 T CB -0.337 68.477 68.868 -0.089 0.000 0.955 201 T HN 0.593 nan 8.240 nan 0.000 0.416 202 T N 3.558 118.076 114.554 -0.060 0.000 2.867 202 T HA 0.127 4.477 4.350 0.000 0.000 0.297 202 T C 0.674 175.351 174.700 -0.039 0.000 0.989 202 T CA 0.309 62.381 62.100 -0.045 0.000 1.159 202 T CB -0.110 68.738 68.868 -0.034 0.000 0.928 202 T HN 0.501 nan 8.240 nan 0.000 0.538 203 N N 0.874 119.552 118.700 -0.036 0.000 2.782 203 N HA -0.147 4.593 4.740 0.000 0.000 0.251 203 N C 0.162 175.664 175.510 -0.013 0.000 1.101 203 N CA 1.401 54.437 53.050 -0.023 0.000 0.764 203 N CB -1.049 37.431 38.487 -0.012 0.000 1.122 203 N HN 0.942 nan 8.380 nan 0.000 0.561 204 G N -3.071 105.713 108.800 -0.027 0.000 3.021 204 G HA2 0.568 4.528 3.960 0.000 0.000 0.290 204 G HA3 0.568 4.528 3.960 0.000 0.000 0.290 204 G C 1.002 175.880 174.900 -0.038 0.000 1.291 204 G CA 0.010 45.115 45.100 0.010 0.000 0.834 204 G HN 0.279 nan 8.290 nan 0.000 0.564 205 G N -0.806 108.007 108.800 0.021 0.000 2.450 205 G HA2 -0.044 3.916 3.960 0.000 0.000 0.220 205 G HA3 -0.044 3.916 3.960 0.000 0.000 0.220 205 G C 1.175 176.007 174.900 -0.114 0.000 1.130 205 G CA 1.002 46.025 45.100 -0.128 0.000 0.760 205 G HN 0.411 nan 8.290 nan 0.000 0.557 206 Q N -0.296 119.439 119.800 -0.107 0.000 2.211 206 Q HA 0.287 4.627 4.340 0.000 0.000 0.231 206 Q C 1.581 177.472 176.000 -0.182 0.000 0.865 206 Q CA -0.109 55.555 55.803 -0.232 0.000 0.997 206 Q CB 0.743 29.240 28.738 -0.403 0.000 1.101 206 Q HN 0.646 nan 8.270 nan 0.000 0.468 207 E N 0.346 120.467 120.200 -0.132 0.000 2.106 207 E HA -0.051 4.299 4.350 0.000 0.000 0.192 207 E C 0.008 176.530 176.600 -0.130 0.000 0.984 207 E CA 0.728 57.056 56.400 -0.119 0.000 0.806 207 E CB 0.458 30.091 29.700 -0.112 0.000 0.750 207 E HN 0.161 nan 8.360 nan 0.000 0.458 208 R N -0.757 119.646 120.500 -0.160 0.000 2.836 208 R HA 0.460 4.800 4.340 0.000 0.000 0.269 208 R C -1.043 175.055 176.300 -0.336 0.000 1.010 208 R CA -0.731 55.203 56.100 -0.277 0.000 0.930 208 R CB 1.996 32.111 30.300 -0.308 0.000 1.218 208 R HN -0.174 nan 8.270 nan 0.000 0.473 209 K N 0.553 120.595 120.400 -0.597 0.000 2.400 209 K HA 0.431 4.751 4.320 0.000 0.000 0.246 209 K C -1.126 175.163 176.600 -0.518 0.000 0.995 209 K CA -0.694 55.250 56.287 -0.572 0.000 0.840 209 K CB 1.537 33.744 32.500 -0.489 0.000 1.293 209 K HN 0.243 nan 8.250 nan 0.000 0.445 210 F N 1.129 121.022 119.950 -0.094 0.000 2.410 210 F HA 0.143 4.670 4.527 -0.000 0.000 0.348 210 F C 0.482 176.335 175.800 0.089 0.000 1.106 210 F CA -0.944 57.045 58.000 -0.017 0.000 1.163 210 F CB 0.951 39.916 39.000 -0.059 0.000 1.129 210 F HN 0.019 nan 8.300 nan 0.000 0.516 211 V N 3.895 124.016 119.914 0.344 0.000 2.509 211 V HA 0.165 4.285 4.120 0.000 0.000 0.297 211 V C 0.994 176.977 176.094 -0.185 0.000 1.014 211 V CA 1.354 63.772 62.300 0.197 0.000 1.127 211 V CB 0.058 31.979 31.823 0.163 0.000 0.925 211 V HN 1.118 nan 8.190 nan 0.000 0.480 212 G N 3.270 111.523 108.800 -0.912 0.000 2.199 212 G HA2 0.125 4.085 3.960 0.000 0.000 0.254 212 G HA3 0.125 4.085 3.960 0.000 0.000 0.254 212 G C 0.804 175.187 174.900 -0.860 0.000 0.982 212 G CA -0.033 44.283 45.100 -1.307 0.000 0.632 212 G HN 2.463 nan 8.290 nan 0.000 0.529 213 G N -1.587 106.986 108.800 -0.379 0.000 2.674 213 G HA2 0.395 4.355 3.960 0.000 0.000 0.686 213 G HA3 0.395 4.355 3.960 0.000 0.000 0.686 213 G C 0.749 175.663 174.900 0.024 0.000 1.195 213 G CA 0.834 45.909 45.100 -0.042 0.000 0.776 213 G HN 1.859 nan 8.290 nan 0.000 0.654 214 S N -0.031 115.740 115.700 0.117 0.000 2.481 214 S HA 0.149 4.619 4.470 0.000 0.000 0.231 214 S C 2.479 177.075 174.600 -0.007 0.000 0.996 214 S CA 1.596 59.869 58.200 0.121 0.000 0.942 214 S CB 0.084 63.413 63.200 0.215 0.000 0.768 214 S HN 2.134 nan 8.310 nan 0.000 0.520 215 G N 1.364 110.168 108.800 0.006 0.000 2.470 215 G HA2 -0.167 3.793 3.960 0.000 0.000 0.220 215 G HA3 -0.167 3.793 3.960 0.000 0.000 0.220 215 G C 1.431 176.303 174.900 -0.046 0.000 1.121 215 G CA 0.553 45.660 45.100 0.010 0.000 0.766 215 G HN 0.627 nan 8.290 nan 0.000 0.553 216 Q N -0.251 119.487 119.800 -0.103 0.000 2.291 216 Q HA -0.038 4.302 4.340 0.000 0.000 0.206 216 Q C 2.703 178.604 176.000 -0.164 0.000 0.976 216 Q CA 0.809 56.530 55.803 -0.138 0.000 0.875 216 Q CB -0.104 28.526 28.738 -0.180 0.000 0.927 216 Q HN 0.437 nan 8.270 nan 0.000 0.450 217 V N 0.059 119.851 119.914 -0.205 0.000 2.261 217 V HA -0.267 3.853 4.120 0.000 0.000 0.246 217 V C 2.105 178.135 176.094 -0.107 0.000 1.047 217 V CA 2.072 64.252 62.300 -0.199 0.000 1.015 217 V CB -0.510 31.180 31.823 -0.220 0.000 0.642 217 V HN 0.283 nan 8.190 nan 0.000 0.446 218 S N -0.725 114.937 115.700 -0.063 0.000 2.383 218 S HA -0.177 4.293 4.470 0.000 0.000 0.227 218 S C 1.917 176.495 174.600 -0.036 0.000 1.026 218 S CA 1.372 59.553 58.200 -0.032 0.000 0.981 218 S CB -0.227 62.976 63.200 0.006 0.000 0.818 218 S HN 0.678 nan 8.310 nan 0.000 0.472 219 E N 1.003 121.181 120.200 -0.038 0.000 2.051 219 E HA -0.086 4.264 4.350 0.000 0.000 0.192 219 E C 2.335 178.904 176.600 -0.052 0.000 0.991 219 E CA 0.858 57.237 56.400 -0.035 0.000 0.799 219 E CB -0.074 29.605 29.700 -0.035 0.000 0.748 219 E HN 0.346 nan 8.360 nan 0.000 0.449 220 R N 0.215 120.672 120.500 -0.071 0.000 2.115 220 R HA -0.024 4.316 4.340 0.000 0.000 0.226 220 R C 2.288 178.544 176.300 -0.073 0.000 1.100 220 R CA 0.793 56.848 56.100 -0.074 0.000 0.980 220 R CB -0.121 30.125 30.300 -0.090 0.000 0.875 220 R HN 0.216 nan 8.270 nan 0.000 0.445 221 I N 0.512 121.037 120.570 -0.074 0.000 2.353 221 I HA -0.239 3.931 4.170 0.000 0.000 0.248 221 I C 2.604 178.670 176.117 -0.086 0.000 1.119 221 I CA 0.965 62.217 61.300 -0.079 0.000 1.417 221 I CB -0.141 37.817 38.000 -0.070 0.000 1.078 221 I HN 0.196 nan 8.210 nan 0.000 0.421 222 M N 0.855 120.415 119.600 -0.066 0.000 2.159 222 M HA -0.239 4.241 4.480 0.000 0.000 0.263 222 M C 1.564 177.825 176.300 -0.064 0.000 1.063 222 M CA 1.918 57.181 55.300 -0.062 0.000 1.110 222 M CB -0.191 32.385 32.600 -0.040 0.000 1.374 222 M HN 0.147 nan 8.290 nan 0.000 0.411 223 D N 0.758 121.123 120.400 -0.059 0.000 2.117 223 D HA -0.147 4.493 4.640 0.000 0.000 0.197 223 D C 2.058 178.319 176.300 -0.064 0.000 0.987 223 D CA 1.417 55.386 54.000 -0.052 0.000 0.829 223 D CB -0.478 40.294 40.800 -0.046 0.000 0.961 223 D HN 0.431 nan 8.370 nan 0.000 0.460 224 L N 0.153 121.325 121.223 -0.086 0.000 2.046 224 L HA -0.118 4.222 4.340 0.000 0.000 0.208 224 L C 2.476 179.241 176.870 -0.174 0.000 1.077 224 L CA 0.778 55.551 54.840 -0.112 0.000 0.747 224 L CB -0.353 41.628 42.059 -0.130 0.000 0.896 224 L HN 0.019 nan 8.230 nan 0.000 0.432 225 L N -0.930 120.173 121.223 -0.199 0.000 2.395 225 L HA 0.070 4.410 4.340 0.000 0.000 0.218 225 L C 1.745 178.547 176.870 -0.113 0.000 1.130 225 L CA 0.450 55.151 54.840 -0.233 0.000 0.826 225 L CB -0.895 41.044 42.059 -0.200 0.000 0.941 225 L HN 0.474 nan 8.230 nan 0.000 0.451 226 G N 2.004 110.760 108.800 -0.074 0.000 2.622 226 G HA2 -0.467 3.493 3.960 0.000 0.000 0.307 226 G HA3 -0.467 3.493 3.960 0.000 0.000 0.307 226 G C 0.453 175.338 174.900 -0.025 0.000 1.226 226 G CA 0.677 45.755 45.100 -0.037 0.000 0.997 226 G HN 0.546 nan 8.290 nan 0.000 0.551 227 D N 0.814 121.210 120.400 -0.008 0.000 2.349 227 D HA 0.101 4.741 4.640 0.000 0.000 0.224 227 D C 2.042 178.348 176.300 0.009 0.000 1.029 227 D CA 0.708 54.711 54.000 0.004 0.000 0.879 227 D CB -0.274 40.536 40.800 0.017 0.000 0.906 227 D HN 0.639 nan 8.370 nan 0.000 0.528 228 R N -0.033 120.464 120.500 -0.004 0.000 2.189 228 R HA 0.063 4.403 4.340 0.000 0.000 0.223 228 R C 0.218 176.500 176.300 -0.031 0.000 1.092 228 R CA 0.410 56.507 56.100 -0.005 0.000 0.989 228 R CB 0.088 30.381 30.300 -0.012 0.000 0.876 228 R HN 0.120 nan 8.270 nan 0.000 0.457 229 V N 2.788 122.678 119.914 -0.039 0.000 2.406 229 V HA 0.120 4.240 4.120 0.000 0.000 0.272 229 V C -0.108 175.961 176.094 -0.042 0.000 1.043 229 V CA -0.391 61.878 62.300 -0.051 0.000 0.915 229 V CB 1.415 33.209 31.823 -0.049 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.481 126.841 120.400 -0.066 0.000 2.367 230 K HA 0.548 4.868 4.320 0.000 0.000 0.263 230 K C -0.741 175.822 176.600 -0.061 0.000 1.000 230 K CA -0.313 55.944 56.287 -0.051 0.000 0.891 230 K CB 1.883 34.339 32.500 -0.072 0.000 1.117 230 K HN 0.497 nan 8.250 nan 0.000 0.443 231 L N 1.572 122.772 121.223 -0.039 0.000 2.399 231 L HA 0.206 4.546 4.340 0.000 0.000 0.266 231 L C 0.683 177.525 176.870 -0.047 0.000 1.114 231 L CA -0.255 54.558 54.840 -0.046 0.000 0.804 231 L CB 0.325 42.368 42.059 -0.027 0.000 1.146 231 L HN 0.700 nan 8.230 nan 0.000 0.451 232 E N 0.450 120.608 120.200 -0.070 0.000 2.389 232 E HA -0.230 4.120 4.350 0.000 0.000 0.243 232 E C -0.489 176.068 176.600 -0.071 0.000 1.154 232 E CA 0.261 56.618 56.400 -0.071 0.000 0.723 232 E CB -0.878 28.802 29.700 -0.033 0.000 1.261 232 E HN 0.370 nan 8.360 nan 0.000 0.390 233 R N 0.132 120.571 120.500 -0.102 0.000 2.724 233 R HA 0.249 4.589 4.340 0.000 0.000 0.284 233 R C -2.721 173.496 176.300 -0.138 0.000 1.481 233 R CA -2.020 54.026 56.100 -0.090 0.000 1.652 233 R CB 0.586 30.834 30.300 -0.087 0.000 1.175 233 R HN -0.005 nan 8.270 nan 0.000 0.613 234 P HA 0.013 nan 4.420 nan 0.000 0.271 234 P C -0.311 176.944 177.300 -0.075 0.000 1.220 234 P CA -0.175 62.814 63.100 -0.185 0.000 0.768 234 P CB 0.912 32.517 31.700 -0.159 0.000 0.848 235 V N 5.471 125.352 119.914 -0.056 0.000 2.555 235 V HA 0.053 4.173 4.120 0.000 0.000 0.286 235 V C 1.718 177.824 176.094 0.020 0.000 1.044 235 V CA 0.430 62.719 62.300 -0.018 0.000 1.026 235 V CB 0.316 32.120 31.823 -0.032 0.000 0.981 235 V HN 0.544 nan 8.190 nan 0.000 0.480 236 I N 1.809 122.403 120.570 0.040 0.000 4.312 236 I HA 0.444 4.614 4.170 0.000 0.000 0.324 236 I C 0.034 176.238 176.117 0.145 0.000 1.298 236 I CA 0.156 61.510 61.300 0.089 0.000 1.231 236 I CB 0.626 38.654 38.000 0.048 0.000 1.152 236 I HN 0.505 nan 8.210 nan 0.000 0.421 237 Y N 1.771 122.014 120.300 -0.096 0.000 2.436 237 Y HA 0.685 5.235 4.550 -0.000 0.000 0.327 237 Y C -1.929 173.884 175.900 -0.144 0.000 1.138 237 Y CA -1.563 56.461 58.100 -0.126 0.000 1.042 237 Y CB 1.608 40.027 38.460 -0.068 0.000 1.302 237 Y HN -0.015 nan 8.280 nan 0.000 0.439 238 I N 5.752 125.903 120.570 -0.698 0.000 2.466 238 I HA 0.312 4.482 4.170 0.000 0.000 0.289 238 I C -1.440 174.283 176.117 -0.656 0.000 1.026 238 I CA -0.711 60.264 61.300 -0.542 0.000 1.078 238 I CB 1.926 39.751 38.000 -0.291 0.000 1.249 238 I HN 0.535 nan 8.210 nan 0.000 0.429 239 D N 6.030 126.118 120.400 -0.520 0.000 2.481 239 D HA 0.277 4.917 4.640 0.000 0.000 0.246 239 D C -0.349 175.878 176.300 -0.122 0.000 1.109 239 D CA -0.224 53.568 54.000 -0.347 0.000 0.845 239 D CB 1.666 42.283 40.800 -0.304 0.000 1.160 239 D HN 0.502 nan 8.370 nan 0.000 0.534 240 Q N 1.816 121.585 119.800 -0.051 0.000 2.175 240 Q HA 0.081 4.421 4.340 0.000 0.000 0.225 240 Q C 1.145 177.143 176.000 -0.004 0.000 0.837 240 Q CA 0.003 55.795 55.803 -0.017 0.000 1.032 240 Q CB 0.829 29.572 28.738 0.009 0.000 1.137 240 Q HN 0.588 nan 8.270 nan 0.000 0.483 241 T N -2.702 111.854 114.554 0.003 0.000 3.067 241 T HA 0.119 4.469 4.350 0.000 0.000 0.261 241 T C 0.973 175.678 174.700 0.009 0.000 1.110 241 T CA 0.213 62.322 62.100 0.016 0.000 1.113 241 T CB 0.330 69.218 68.868 0.033 0.000 0.917 241 T HN 0.052 nan 8.240 nan 0.000 0.499 242 R N 0.359 120.859 120.500 0.001 0.000 2.843 242 R HA 0.484 4.824 4.340 0.000 0.000 0.232 242 R C 1.485 177.776 176.300 -0.016 0.000 1.305 242 R CA -0.784 55.315 56.100 -0.002 0.000 1.096 242 R CB 0.814 31.116 30.300 0.004 0.000 1.455 242 R HN 0.102 nan 8.270 nan 0.000 0.520 243 E N 0.834 121.024 120.200 -0.018 0.000 2.038 243 E HA -0.138 4.212 4.350 0.000 0.000 0.195 243 E C -0.087 176.482 176.600 -0.052 0.000 1.000 243 E CA 1.217 57.599 56.400 -0.031 0.000 0.803 243 E CB 0.001 29.687 29.700 -0.024 0.000 0.750 243 E HN 0.333 nan 8.360 nan 0.000 0.448 244 N N 0.420 119.093 118.700 -0.046 0.000 2.430 244 N HA 0.194 4.934 4.740 0.000 0.000 0.298 244 N C -0.545 174.937 175.510 -0.048 0.000 1.130 244 N CA -0.364 52.650 53.050 -0.061 0.000 0.894 244 N CB 1.995 40.457 38.487 -0.041 0.000 1.209 244 N HN -0.188 nan 8.380 nan 0.000 0.503 245 V N 1.762 121.641 119.914 -0.058 0.000 2.637 245 V HA 0.165 4.285 4.120 0.000 0.000 0.296 245 V C 0.474 176.558 176.094 -0.017 0.000 1.046 245 V CA -0.199 62.077 62.300 -0.039 0.000 1.066 245 V CB 0.160 31.963 31.823 -0.034 0.000 0.968 245 V HN 0.363 nan 8.190 nan 0.000 0.483 246 L N 5.390 126.597 121.223 -0.027 0.000 2.313 246 L HA 0.614 4.954 4.340 0.000 0.000 0.283 246 L C -0.699 176.161 176.870 -0.018 0.000 1.013 246 L CA -0.582 54.259 54.840 0.001 0.000 0.816 246 L CB 1.933 44.003 42.059 0.018 0.000 1.236 246 L HN 0.371 nan 8.230 nan 0.000 0.419 247 V N 2.731 122.680 119.914 0.058 0.000 2.444 247 V HA 0.350 4.470 4.120 0.000 0.000 0.294 247 V C -0.303 175.887 176.094 0.159 0.000 1.022 247 V CA -0.629 61.708 62.300 0.063 0.000 0.850 247 V CB 1.810 33.669 31.823 0.061 0.000 0.992 247 V HN 0.722 nan 8.190 nan 0.000 0.426 248 E N 2.901 123.192 120.200 0.152 0.000 2.179 248 E HA 0.638 4.988 4.350 0.000 0.000 0.275 248 E C -0.259 176.414 176.600 0.122 0.000 0.945 248 E CA -0.453 56.054 56.400 0.179 0.000 0.792 248 E CB 1.787 31.623 29.700 0.227 0.000 1.125 248 E HN 0.838 nan 8.360 nan 0.000 0.397 249 T N 1.019 115.638 114.554 0.107 0.000 2.944 249 T HA 0.198 4.548 4.350 0.000 0.000 0.284 249 T C 0.947 175.607 174.700 -0.065 0.000 1.010 249 T CA -0.839 61.280 62.100 0.032 0.000 1.025 249 T CB 1.161 70.066 68.868 0.062 0.000 1.079 249 T HN 0.454 nan 8.240 nan 0.000 0.516 250 L N 1.549 122.709 121.223 -0.104 0.000 2.131 250 L HA 0.042 4.382 4.340 0.000 0.000 0.210 250 L C 1.780 178.386 176.870 -0.440 0.000 1.092 250 L CA 1.956 56.677 54.840 -0.199 0.000 0.759 250 L CB -1.031 40.971 42.059 -0.096 0.000 0.903 250 L HN 0.928 nan 8.230 nan 0.000 0.435 251 N N -2.392 116.142 118.700 -0.277 0.000 2.362 251 N HA -0.051 4.689 4.740 0.000 0.000 0.211 251 N C -0.424 175.014 175.510 -0.119 0.000 1.170 251 N CA 0.138 53.055 53.050 -0.222 0.000 0.828 251 N CB -0.526 37.943 38.487 -0.030 0.000 1.034 251 N HN 0.473 nan 8.380 nan 0.000 0.475 252 H N -1.798 117.287 119.070 0.026 0.000 2.882 252 H HA -0.138 4.418 4.556 -0.000 0.000 0.314 252 H C -1.035 174.298 175.328 0.008 0.000 1.270 252 H CA 0.716 56.770 56.048 0.011 0.000 1.165 252 H CB -1.967 27.792 29.762 -0.005 0.000 1.436 252 H HN 0.597 nan 8.280 nan 0.000 0.431 253 E N 0.645 120.896 120.200 0.086 0.000 2.244 253 E HA 0.594 4.944 4.350 0.000 0.000 0.266 253 E C -0.058 176.547 176.600 0.008 0.000 0.914 253 E CA -1.108 55.306 56.400 0.023 0.000 0.794 253 E CB 1.555 31.302 29.700 0.078 0.000 1.210 253 E HN 0.067 nan 8.360 nan 0.000 0.414 254 M N 2.306 121.805 119.600 -0.169 0.000 2.321 254 M HA 0.388 4.868 4.480 0.000 0.000 0.315 254 M C -1.433 174.663 176.300 -0.341 0.000 1.052 254 M CA -0.612 54.626 55.300 -0.104 0.000 0.936 254 M CB 1.025 33.594 32.600 -0.052 0.000 1.639 254 M HN 0.528 nan 8.290 nan 0.000 0.433 255 Y N 0.435 120.744 120.300 0.015 0.000 2.429 255 Y HA 0.487 5.037 4.550 -0.000 0.000 0.342 255 Y C 0.006 175.908 175.900 0.003 0.000 1.004 255 Y CA -0.662 57.442 58.100 0.007 0.000 1.075 255 Y CB 1.831 40.293 38.460 0.003 0.000 1.214 255 Y HN 0.584 nan 8.280 nan 0.000 0.455 256 E N 1.840 122.106 120.200 0.110 0.000 2.199 256 E HA 0.831 5.181 4.350 0.000 0.000 0.265 256 E C -1.518 175.118 176.600 0.060 0.000 0.882 256 E CA -0.665 55.770 56.400 0.058 0.000 0.759 256 E CB 1.229 30.939 29.700 0.017 0.000 1.148 256 E HN 0.764 nan 8.360 nan 0.000 0.412 257 A N 3.636 126.476 122.820 0.033 0.000 2.593 257 A HA 0.381 4.701 4.320 0.000 0.000 0.290 257 A C -0.063 177.495 177.584 -0.044 0.000 1.126 257 A CA -0.650 51.401 52.037 0.022 0.000 0.695 257 A CB 1.500 20.532 19.000 0.054 0.000 1.290 257 A HN 0.691 nan 8.150 nan 0.000 0.414 258 K N -0.860 119.498 120.400 -0.070 0.000 2.116 258 K HA 0.108 4.428 4.320 0.000 0.000 0.203 258 K C -0.699 175.565 176.600 -0.560 0.000 1.052 258 K CA 1.468 57.583 56.287 -0.287 0.000 0.952 258 K CB -0.062 32.305 32.500 -0.222 0.000 0.729 258 K HN 0.598 nan 8.250 nan 0.000 0.446 259 Y N -1.363 118.958 120.300 0.034 0.000 2.625 259 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 259 Y C -0.697 175.228 175.900 0.041 0.000 1.123 259 Y CA -1.293 56.843 58.100 0.061 0.000 1.046 259 Y CB 1.841 40.333 38.460 0.054 0.000 1.299 259 Y HN -0.430 nan 8.280 nan 0.000 0.464 260 V N 2.962 123.013 119.914 0.228 0.000 2.789 260 V HA 0.490 4.610 4.120 0.000 0.000 0.311 260 V C -0.712 175.427 176.094 0.075 0.000 1.073 260 V CA -0.870 61.490 62.300 0.100 0.000 0.921 260 V CB 2.201 34.050 31.823 0.044 0.000 1.009 260 V HN 0.537 nan 8.190 nan 0.000 0.426 261 I N 2.675 123.258 120.570 0.023 0.000 2.339 261 I HA 0.350 4.520 4.170 0.000 0.000 0.290 261 I C 0.267 176.364 176.117 -0.035 0.000 0.994 261 I CA -0.183 61.107 61.300 -0.017 0.000 1.191 261 I CB 1.903 39.903 38.000 -0.000 0.000 1.343 261 I HN 0.593 nan 8.210 nan 0.000 0.458 262 S N 5.337 120.977 115.700 -0.101 0.000 2.399 262 S HA 0.519 4.989 4.470 0.000 0.000 0.301 262 S C 0.418 175.091 174.600 0.122 0.000 1.093 262 S CA -0.459 57.759 58.200 0.030 0.000 1.077 262 S CB 0.505 63.754 63.200 0.081 0.000 0.980 262 S HN 0.717 nan 8.310 nan 0.000 0.494 263 A N 5.953 128.837 122.820 0.107 0.000 2.793 263 A HA 0.458 4.778 4.320 0.000 0.000 0.301 263 A C 0.325 177.987 177.584 0.129 0.000 1.172 263 A CA -0.683 51.425 52.037 0.118 0.000 0.973 263 A CB -0.513 18.532 19.000 0.075 0.000 1.164 263 A HN 0.900 nan 8.150 nan 0.000 0.542 264 I N -3.927 116.738 120.570 0.158 0.000 2.863 264 I HA 0.685 4.854 4.170 0.000 0.000 0.311 264 I C -2.894 173.319 176.117 0.161 0.000 1.026 264 I CA -3.095 58.296 61.300 0.151 0.000 1.077 264 I CB 1.448 39.539 38.000 0.151 0.000 1.262 264 I HN -0.157 nan 8.210 nan 0.000 0.461 265 P HA 0.147 nan 4.420 nan 0.000 0.265 265 P C -2.186 175.169 177.300 0.092 0.000 1.187 265 P CA -0.698 62.471 63.100 0.115 0.000 0.766 265 P CB -0.026 31.727 31.700 0.089 0.000 0.820 266 P HA -0.220 nan 4.420 nan 0.000 0.216 266 P C 1.609 178.892 177.300 -0.028 0.000 1.157 266 P CA 1.904 65.010 63.100 0.010 0.000 0.880 266 P CB -0.253 31.423 31.700 -0.040 0.000 0.791 267 T N -1.438 113.074 114.554 -0.069 0.000 2.962 267 T HA -0.054 4.296 4.350 0.000 0.000 0.270 267 T C 1.501 176.190 174.700 -0.019 0.000 1.088 267 T CA 0.689 62.736 62.100 -0.088 0.000 1.127 267 T CB -0.812 67.968 68.868 -0.147 0.000 0.883 267 T HN -0.040 nan 8.240 nan 0.000 0.493 268 L N 0.403 121.644 121.223 0.031 0.000 2.551 268 L HA 0.143 4.483 4.340 0.000 0.000 0.228 268 L C 2.766 179.709 176.870 0.121 0.000 1.153 268 L CA 0.639 55.525 54.840 0.077 0.000 0.851 268 L CB -0.664 41.465 42.059 0.117 0.000 0.959 268 L HN 0.350 nan 8.230 nan 0.000 0.451 269 G N -0.003 108.879 108.800 0.137 0.000 2.479 269 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 269 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 269 G C 1.597 176.635 174.900 0.229 0.000 1.115 269 G CA 0.302 45.544 45.100 0.237 0.000 0.757 269 G HN 0.281 nan 8.290 nan 0.000 0.560 270 M N 0.067 119.728 119.600 0.101 0.000 2.358 270 M HA -0.007 4.473 4.480 0.000 0.000 0.264 270 M C 2.029 178.342 176.300 0.023 0.000 1.064 270 M CA 1.023 56.353 55.300 0.050 0.000 1.093 270 M CB -0.099 32.492 32.600 -0.015 0.000 1.401 270 M HN 0.130 nan 8.290 nan 0.000 0.440 271 K N 0.377 120.812 120.400 0.060 0.000 2.525 271 K HA 0.176 4.496 4.320 0.000 0.000 0.192 271 K C 0.200 176.845 176.600 0.075 0.000 1.029 271 K CA 0.454 56.781 56.287 0.067 0.000 1.029 271 K CB 0.117 32.690 32.500 0.122 0.000 0.814 271 K HN 0.356 nan 8.250 nan 0.000 0.503 272 I N 1.324 121.904 120.570 0.017 0.000 2.404 272 I HA 0.141 4.311 4.170 0.000 0.000 0.293 272 I C 0.085 176.048 176.117 -0.256 0.000 0.992 272 I CA -0.768 60.452 61.300 -0.133 0.000 1.149 272 I CB 1.346 39.129 38.000 -0.361 0.000 1.315 272 I HN 0.054 nan 8.210 nan 0.000 0.446 273 H N 6.071 125.034 119.070 -0.177 0.000 2.527 273 H HA 0.345 4.901 4.556 -0.000 0.000 0.321 273 H C -1.106 174.132 175.328 -0.151 0.000 1.087 273 H CA -0.196 55.850 56.048 -0.003 0.000 1.337 273 H CB 1.230 31.074 29.762 0.136 0.000 1.440 273 H HN 0.323 nan 8.280 nan 0.000 0.490 274 F N 1.977 122.030 119.950 0.172 0.000 2.443 274 F HA 0.162 4.689 4.527 0.000 0.000 0.335 274 F C 0.588 176.430 175.800 0.072 0.000 1.104 274 F CA -0.705 57.328 58.000 0.055 0.000 1.013 274 F CB 1.374 40.391 39.000 0.029 0.000 1.136 274 F HN 0.478 nan 8.300 nan 0.000 0.470 275 N N 4.462 123.243 118.700 0.136 0.000 2.461 275 N HA 0.420 5.160 4.740 0.000 0.000 0.284 275 N C -3.022 172.533 175.510 0.076 0.000 1.049 275 N CA -2.375 50.752 53.050 0.127 0.000 0.889 275 N CB 2.107 40.695 38.487 0.169 0.000 1.365 275 N HN 0.067 nan 8.380 nan 0.000 0.499 276 P HA 0.278 nan 4.420 nan 0.000 0.273 276 P C -2.629 174.748 177.300 0.128 0.000 1.250 276 P CA -0.868 62.291 63.100 0.097 0.000 0.793 276 P CB -0.450 31.287 31.700 0.060 0.000 1.011 277 P HA 0.070 nan 4.420 nan 0.000 0.268 277 P C 0.121 177.434 177.300 0.022 0.000 1.208 277 P CA 0.237 63.400 63.100 0.105 0.000 0.777 277 P CB 0.166 31.908 31.700 0.070 0.000 0.875 278 L N 3.192 124.376 121.223 -0.066 0.000 2.483 278 L HA 0.114 4.454 4.340 0.000 0.000 0.275 278 L C -1.606 175.205 176.870 -0.098 0.000 1.220 278 L CA -1.530 53.198 54.840 -0.187 0.000 0.833 278 L CB -0.745 41.117 42.059 -0.329 0.000 1.102 278 L HN 0.315 nan 8.230 nan 0.000 0.490 279 P HA -0.074 nan 4.420 nan 0.000 0.268 279 P C 0.649 177.914 177.300 -0.060 0.000 1.208 279 P CA -0.141 62.921 63.100 -0.063 0.000 0.777 279 P CB 0.438 32.100 31.700 -0.063 0.000 0.875 280 M N 2.028 121.607 119.600 -0.035 0.000 2.113 280 M HA -0.246 4.234 4.480 0.000 0.000 0.255 280 M C 1.199 177.501 176.300 0.003 0.000 1.073 280 M CA 2.412 57.702 55.300 -0.017 0.000 1.091 280 M CB -0.435 32.160 32.600 -0.007 0.000 1.309 280 M HN 0.148 nan 8.290 nan 0.000 0.407 281 M N -0.349 119.251 119.600 0.000 0.000 2.132 281 M HA -0.129 4.351 4.480 0.000 0.000 0.263 281 M C 2.334 178.670 176.300 0.059 0.000 1.065 281 M CA 1.753 57.094 55.300 0.070 0.000 1.122 281 M CB -1.392 31.198 32.600 -0.015 0.000 1.365 281 M HN 0.460 nan 8.290 nan 0.000 0.411 282 R N 0.342 120.805 120.500 -0.062 0.000 2.073 282 R HA -0.156 4.184 4.340 0.000 0.000 0.229 282 R C 2.013 178.218 176.300 -0.158 0.000 1.120 282 R CA 1.622 57.634 56.100 -0.147 0.000 0.967 282 R CB -0.197 29.963 30.300 -0.233 0.000 0.862 282 R HN 0.322 nan 8.270 nan 0.000 0.436 283 N N 0.548 119.172 118.700 -0.127 0.000 2.060 283 N HA -0.235 4.505 4.740 0.000 0.000 0.195 283 N C 1.593 177.032 175.510 -0.119 0.000 1.028 283 N CA 1.963 54.946 53.050 -0.111 0.000 0.861 283 N CB 0.003 38.450 38.487 -0.068 0.000 1.029 283 N HN 0.341 nan 8.380 nan 0.000 0.428 284 Q N -1.075 118.661 119.800 -0.107 0.000 2.137 284 Q HA -0.053 4.287 4.340 0.000 0.000 0.198 284 Q C 2.002 177.746 176.000 -0.427 0.000 0.960 284 Q CA 0.663 56.347 55.803 -0.197 0.000 0.847 284 Q CB -0.122 28.569 28.738 -0.079 0.000 0.915 284 Q HN 0.504 nan 8.270 nan 0.000 0.448 285 M N 1.625 120.968 119.600 -0.427 0.000 2.108 285 M HA -0.166 4.314 4.480 0.000 0.000 0.261 285 M C 1.995 178.052 176.300 -0.405 0.000 1.066 285 M CA 1.645 56.623 55.300 -0.536 0.000 1.107 285 M CB -0.428 32.038 32.600 -0.224 0.000 1.356 285 M HN 0.300 nan 8.290 nan 0.000 0.406 286 I N -1.551 118.848 120.570 -0.285 0.000 3.334 286 I HA -0.058 4.112 4.170 0.000 0.000 0.282 286 I C 1.402 177.385 176.117 -0.223 0.000 1.313 286 I CA 1.314 62.477 61.300 -0.228 0.000 1.396 286 I CB -0.969 36.942 38.000 -0.149 0.000 1.054 286 I HN 0.306 nan 8.210 nan 0.000 0.495 287 T N -2.465 111.934 114.554 -0.259 0.000 3.069 287 T HA 0.285 4.635 4.350 0.000 0.000 0.252 287 T C 1.435 175.962 174.700 -0.289 0.000 1.053 287 T CA -0.238 61.723 62.100 -0.233 0.000 0.964 287 T CB -0.038 68.718 68.868 -0.188 0.000 1.005 287 T HN 0.422 nan 8.240 nan 0.000 0.532 288 R N 1.014 121.282 120.500 -0.388 0.000 2.543 288 R HA 0.333 4.673 4.340 0.000 0.000 0.323 288 R C -0.164 175.810 176.300 -0.543 0.000 1.002 288 R CA -0.026 55.816 56.100 -0.430 0.000 1.106 288 R CB 1.310 31.304 30.300 -0.510 0.000 1.280 288 R HN 0.426 nan 8.270 nan 0.000 0.549 289 V N -0.909 118.667 119.914 -0.563 0.000 2.462 289 V HA 0.443 4.563 4.120 0.000 0.000 0.257 289 V C -2.675 173.046 176.094 -0.620 0.000 0.944 289 V CA -2.305 59.539 62.300 -0.759 0.000 0.903 289 V CB 0.649 32.001 31.823 -0.786 0.000 1.128 289 V HN -0.102 nan 8.190 nan 0.000 0.486 290 P HA 0.483 nan 4.420 nan 0.000 0.274 290 P C -0.600 176.369 177.300 -0.552 0.000 1.246 290 P CA -0.274 62.484 63.100 -0.570 0.000 0.795 290 P CB 1.823 33.167 31.700 -0.593 0.000 1.006 291 L N 0.296 121.375 121.223 -0.240 0.000 2.358 291 L HA 0.593 4.933 4.340 0.000 0.000 0.268 291 L C 1.466 178.382 176.870 0.077 0.000 1.032 291 L CA -0.142 54.656 54.840 -0.070 0.000 0.805 291 L CB 0.507 42.560 42.059 -0.009 0.000 1.253 291 L HN 0.478 nan 8.230 nan 0.000 0.452 292 G N -0.307 108.568 108.800 0.126 0.000 2.553 292 G HA2 0.468 4.428 3.960 0.000 0.000 0.278 292 G HA3 0.468 4.428 3.960 0.000 0.000 0.278 292 G C -0.865 174.032 174.900 -0.004 0.000 1.349 292 G CA -0.357 44.790 45.100 0.077 0.000 1.037 292 G HN 0.487 nan 8.290 nan 0.000 0.508 293 S N -1.506 114.160 115.700 -0.057 0.000 2.561 293 S HA 0.610 5.080 4.470 0.000 0.000 0.303 293 S C -1.108 173.465 174.600 -0.045 0.000 1.110 293 S CA -0.496 57.696 58.200 -0.013 0.000 1.034 293 S CB 1.723 64.929 63.200 0.010 0.000 1.010 293 S HN 0.862 nan 8.310 nan 0.000 0.482 294 V N 4.644 124.583 119.914 0.041 0.000 3.000 294 V HA 0.555 4.675 4.120 0.000 0.000 0.300 294 V C -1.978 174.262 176.094 0.245 0.000 1.251 294 V CA -0.707 61.647 62.300 0.090 0.000 0.972 294 V CB 1.761 33.566 31.823 -0.030 0.000 1.065 294 V HN 0.886 nan 8.190 nan 0.000 0.431 295 I N 5.289 126.014 120.570 0.258 0.000 2.362 295 I HA 0.521 4.691 4.170 0.000 0.000 0.289 295 I C -0.221 176.126 176.117 0.383 0.000 0.994 295 I CA -0.603 60.868 61.300 0.286 0.000 1.158 295 I CB 1.712 39.823 38.000 0.185 0.000 1.315 295 I HN 0.526 nan 8.210 nan 0.000 0.451 296 K N 5.920 126.580 120.400 0.433 0.000 2.211 296 K HA 0.598 4.918 4.320 0.000 0.000 0.275 296 K C -1.484 175.241 176.600 0.209 0.000 1.024 296 K CA -0.311 56.216 56.287 0.400 0.000 0.887 296 K CB 1.062 33.861 32.500 0.498 0.000 1.084 296 K HN 0.684 nan 8.250 nan 0.000 0.463 297 C N 5.121 124.505 119.300 0.139 0.000 2.498 297 C HA 0.583 5.043 4.460 0.000 0.000 0.316 297 C C -0.925 174.121 174.990 0.094 0.000 1.209 297 C CA -1.017 58.075 59.018 0.123 0.000 1.518 297 C CB 0.217 28.127 27.740 0.284 0.000 2.147 297 C HN 0.747 nan 8.230 nan 0.000 0.483 298 I N 3.029 123.621 120.570 0.037 0.000 2.439 298 I HA 0.396 4.566 4.170 0.000 0.000 0.285 298 I C -0.315 175.826 176.117 0.039 0.000 1.021 298 I CA -0.117 61.162 61.300 -0.035 0.000 1.091 298 I CB 1.459 39.396 38.000 -0.105 0.000 1.242 298 I HN 0.332 nan 8.210 nan 0.000 0.439 299 V N 6.776 126.705 119.914 0.024 0.000 2.370 299 V HA 0.370 4.490 4.120 0.000 0.000 0.279 299 V C -0.585 175.326 176.094 -0.305 0.000 1.029 299 V CA -0.639 61.681 62.300 0.032 0.000 0.870 299 V CB 0.721 32.605 31.823 0.102 0.000 0.984 299 V HN 0.406 nan 8.190 nan 0.000 0.451 300 Y N 4.242 124.489 120.300 -0.089 0.000 2.352 300 Y HA 0.657 5.207 4.550 0.000 0.000 0.326 300 Y C -0.220 175.542 175.900 -0.230 0.000 1.166 300 Y CA -0.384 57.709 58.100 -0.012 0.000 1.182 300 Y CB 1.317 39.870 38.460 0.156 0.000 1.216 300 Y HN 0.528 nan 8.280 nan 0.000 0.474 301 Y N -0.152 120.397 120.300 0.414 0.000 2.605 301 Y HA 0.277 4.827 4.550 -0.000 0.000 0.343 301 Y C 1.112 177.158 175.900 0.244 0.000 1.036 301 Y CA -1.401 56.913 58.100 0.358 0.000 1.065 301 Y CB 1.903 40.670 38.460 0.512 0.000 1.288 301 Y HN 0.503 nan 8.280 nan 0.000 0.481 302 K N 0.185 120.804 120.400 0.365 0.000 2.063 302 K HA -0.084 4.236 4.320 0.000 0.000 0.208 302 K C -0.271 176.403 176.600 0.122 0.000 1.048 302 K CA 1.599 57.995 56.287 0.183 0.000 0.928 302 K CB 0.251 32.828 32.500 0.128 0.000 0.713 302 K HN 0.566 nan 8.250 nan 0.000 0.442 303 E N -0.869 119.416 120.200 0.142 0.000 2.416 303 E HA 0.227 4.577 4.350 0.000 0.000 0.273 303 E C -2.676 173.790 176.600 -0.222 0.000 0.935 303 E CA -2.198 54.190 56.400 -0.019 0.000 0.784 303 E CB 1.799 31.477 29.700 -0.037 0.000 1.301 303 E HN -0.050 nan 8.360 nan 0.000 0.454 304 P HA 0.124 nan 4.420 nan 0.000 0.231 304 P C 0.647 176.994 177.300 -1.587 0.000 1.811 304 P CA -0.142 62.020 63.100 -1.563 0.000 1.051 304 P CB -1.074 30.024 31.700 -1.004 0.000 1.951 305 F N 0.051 119.435 119.950 -0.944 0.000 2.333 305 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 305 F C 1.764 177.395 175.800 -0.281 0.000 1.083 305 F CA -0.140 57.602 58.000 -0.430 0.000 1.395 305 F CB -1.694 37.183 39.000 -0.205 0.000 1.056 305 F HN 0.126 nan 8.300 nan 0.000 0.529 306 W N 1.484 122.443 121.300 -0.569 0.000 2.374 306 W HA 0.004 4.664 4.660 0.000 0.000 0.288 306 W C 1.980 178.444 176.519 -0.092 0.000 1.218 306 W CA 0.911 58.123 57.345 -0.222 0.000 1.245 306 W CB -1.157 28.109 29.460 -0.323 0.000 1.126 306 W HN -0.131 nan 8.180 nan 0.000 0.545 307 R N 1.247 121.523 120.500 -0.373 0.000 2.120 307 R HA -0.095 4.245 4.340 0.000 0.000 0.234 307 R C 1.988 178.205 176.300 -0.139 0.000 1.123 307 R CA 1.746 57.733 56.100 -0.189 0.000 0.975 307 R CB -0.466 29.670 30.300 -0.274 0.000 0.866 307 R HN 0.312 nan 8.270 nan 0.000 0.446 308 K N 0.702 121.018 120.400 -0.140 0.000 2.211 308 K HA -0.093 4.227 4.320 0.000 0.000 0.203 308 K C 1.370 177.902 176.600 -0.113 0.000 1.050 308 K CA 0.965 57.194 56.287 -0.097 0.000 0.945 308 K CB 0.080 32.546 32.500 -0.057 0.000 0.732 308 K HN 0.116 nan 8.250 nan 0.000 0.451 309 K N 0.868 121.173 120.400 -0.158 0.000 2.437 309 K HA -0.026 4.294 4.320 0.000 0.000 0.198 309 K C -0.519 175.747 176.600 -0.557 0.000 1.024 309 K CA 0.100 56.181 56.287 -0.343 0.000 1.148 309 K CB 0.319 32.583 32.500 -0.393 0.000 0.860 309 K HN 0.017 nan 8.250 nan 0.000 0.515 310 D N 0.199 120.423 120.400 -0.293 0.000 2.800 310 D HA -0.210 4.430 4.640 0.000 0.000 0.232 310 D C -1.380 174.836 176.300 -0.140 0.000 1.137 310 D CA 0.942 54.824 54.000 -0.195 0.000 0.718 310 D CB -1.425 39.285 40.800 -0.151 0.000 1.084 310 D HN 0.338 nan 8.370 nan 0.000 0.432 311 Y N -1.056 119.280 120.300 0.060 0.000 2.393 311 Y HA 0.338 4.888 4.550 0.000 0.000 0.341 311 Y C 1.932 177.907 175.900 0.125 0.000 0.988 311 Y CA -0.950 57.187 58.100 0.061 0.000 1.078 311 Y CB 1.375 39.879 38.460 0.074 0.000 1.203 311 Y HN 0.230 nan 8.280 nan 0.000 0.453 312 C N -1.272 118.153 119.300 0.207 0.000 2.563 312 C HA 0.500 4.960 4.460 0.000 0.000 0.268 312 C C 1.686 176.729 174.990 0.088 0.000 1.365 312 C CA 0.433 59.546 59.018 0.159 0.000 1.754 312 C CB -0.845 26.911 27.740 0.027 0.000 1.932 312 C HN 1.238 nan 8.230 nan 0.000 0.536 313 G N 0.042 108.730 108.800 -0.188 0.000 2.201 313 G HA2 -0.151 3.809 3.960 0.000 0.000 0.212 313 G HA3 -0.151 3.809 3.960 0.000 0.000 0.212 313 G C 0.037 174.599 174.900 -0.563 0.000 0.994 313 G CA 0.209 44.878 45.100 -0.717 0.000 0.644 313 G HN 0.568 nan 8.290 nan 0.000 0.508 314 T N 2.306 116.631 114.554 -0.382 0.000 2.814 314 T HA 0.623 4.973 4.350 0.000 0.000 0.297 314 T C 0.323 174.818 174.700 -0.340 0.000 0.956 314 T CA 0.588 62.442 62.100 -0.410 0.000 1.123 314 T CB 0.820 69.507 68.868 -0.301 0.000 0.902 314 T HN 0.303 nan 8.240 nan 0.000 0.528 315 M N 3.936 123.314 119.600 -0.370 0.000 2.327 315 M HA 0.501 4.981 4.480 0.000 0.000 0.298 315 M C -0.922 175.389 176.300 0.018 0.000 1.065 315 M CA -0.597 54.615 55.300 -0.148 0.000 0.916 315 M CB 2.329 34.816 32.600 -0.188 0.000 1.630 315 M HN 0.405 nan 8.290 nan 0.000 0.442 316 I N 4.498 125.232 120.570 0.273 0.000 2.354 316 I HA 0.466 4.636 4.170 0.000 0.000 0.286 316 I C -0.905 175.483 176.117 0.452 0.000 1.007 316 I CA -0.360 61.203 61.300 0.439 0.000 1.167 316 I CB 1.130 39.401 38.000 0.452 0.000 1.320 316 I HN 0.607 nan 8.210 nan 0.000 0.458 317 I N 5.355 126.144 120.570 0.365 0.000 2.411 317 I HA 0.292 4.462 4.170 0.000 0.000 0.284 317 I C -0.398 175.893 176.117 0.289 0.000 1.012 317 I CA -0.530 60.959 61.300 0.316 0.000 1.119 317 I CB 1.468 39.597 38.000 0.216 0.000 1.261 317 I HN 0.462 nan 8.210 nan 0.000 0.448 318 D N 4.377 124.946 120.400 0.281 0.000 2.348 318 D HA 0.684 5.324 4.640 0.000 0.000 0.249 318 D C 0.168 176.573 176.300 0.174 0.000 1.110 318 D CA 0.543 54.675 54.000 0.221 0.000 0.967 318 D CB 1.889 42.808 40.800 0.199 0.000 1.139 318 D HN 0.804 nan 8.370 nan 0.000 0.466 319 G N 1.590 110.474 108.800 0.141 0.000 2.617 319 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 319 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 319 G C 0.423 175.392 174.900 0.116 0.000 1.214 319 G CA 0.181 45.351 45.100 0.117 0.000 0.796 319 G HN 0.460 nan 8.290 nan 0.000 0.654 320 E N 0.193 120.457 120.200 0.106 0.000 2.150 320 E HA -0.028 4.322 4.350 0.000 0.000 0.193 320 E C 2.156 178.816 176.600 0.100 0.000 0.985 320 E CA 2.419 58.892 56.400 0.121 0.000 0.814 320 E CB -0.012 29.757 29.700 0.115 0.000 0.752 320 E HN 0.646 nan 8.360 nan 0.000 0.466 321 E N 0.575 120.825 120.200 0.083 0.000 2.150 321 E HA 0.063 4.413 4.350 0.000 0.000 0.193 321 E C 0.467 177.100 176.600 0.055 0.000 0.985 321 E CA 0.884 57.323 56.400 0.065 0.000 0.814 321 E CB -0.387 29.349 29.700 0.061 0.000 0.752 321 E HN 0.296 nan 8.360 nan 0.000 0.466 322 A N 2.577 125.439 122.820 0.071 0.000 2.492 322 A HA 0.129 4.449 4.320 0.000 0.000 0.254 322 A C -1.388 176.224 177.584 0.047 0.000 1.091 322 A CA -1.019 51.054 52.037 0.061 0.000 0.768 322 A CB 0.126 19.185 19.000 0.099 0.000 1.028 322 A HN 0.007 nan 8.150 nan 0.000 0.498 323 P HA -0.020 nan 4.420 nan 0.000 0.219 323 P C 0.179 177.513 177.300 0.056 0.000 1.150 323 P CA 0.897 64.007 63.100 0.016 0.000 0.814 323 P CB 0.123 31.815 31.700 -0.014 0.000 0.787 324 V N 0.276 120.245 119.914 0.092 0.000 2.409 324 V HA 0.468 4.588 4.120 0.000 0.000 0.291 324 V C 1.077 177.293 176.094 0.202 0.000 1.020 324 V CA -0.202 62.202 62.300 0.173 0.000 0.848 324 V CB 1.365 33.322 31.823 0.223 0.000 0.990 324 V HN -0.034 nan 8.190 nan 0.000 0.430 325 A N 4.560 127.525 122.820 0.242 0.000 2.220 325 A HA 0.329 4.649 4.320 0.000 0.000 0.211 325 A C 0.123 177.932 177.584 0.375 0.000 1.176 325 A CA 0.547 52.747 52.037 0.271 0.000 0.834 325 A CB 0.166 19.305 19.000 0.233 0.000 0.868 325 A HN 0.750 nan 8.150 nan 0.000 0.488 326 Y N -0.189 120.237 120.300 0.209 0.000 2.482 326 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 326 Y C -0.446 175.512 175.900 0.096 0.000 1.091 326 Y CA -0.475 57.734 58.100 0.182 0.000 1.027 326 Y CB 1.538 40.160 38.460 0.269 0.000 1.306 326 Y HN 0.125 nan 8.280 nan 0.000 0.446 327 T N 3.869 118.111 114.554 -0.520 0.000 2.906 327 T HA 0.870 5.220 4.350 0.000 0.000 0.295 327 T C -1.520 172.728 174.700 -0.753 0.000 1.075 327 T CA -0.832 60.943 62.100 -0.542 0.000 1.005 327 T CB 1.844 70.386 68.868 -0.543 0.000 1.136 327 T HN 0.604 nan 8.240 nan 0.000 0.498 328 L N 0.998 121.913 121.223 -0.512 0.000 2.371 328 L HA 0.529 4.869 4.340 0.000 0.000 0.262 328 L C -0.631 176.042 176.870 -0.328 0.000 1.006 328 L CA -1.266 53.335 54.840 -0.398 0.000 0.818 328 L CB 2.150 44.054 42.059 -0.260 0.000 1.354 328 L HN 0.729 nan 8.230 nan 0.000 0.415 329 D N 0.755 121.000 120.400 -0.257 0.000 2.417 329 D HA -0.018 4.622 4.640 0.000 0.000 0.250 329 D C -0.291 176.023 176.300 0.024 0.000 1.166 329 D CA 0.503 54.427 54.000 -0.127 0.000 0.881 329 D CB 1.216 42.062 40.800 0.077 0.000 1.164 329 D HN 0.493 nan 8.370 nan 0.000 0.467 330 D N 1.912 122.335 120.400 0.039 0.000 2.462 330 D HA 0.084 4.724 4.640 0.000 0.000 0.221 330 D C -0.352 176.040 176.300 0.153 0.000 1.173 330 D CA -0.155 53.900 54.000 0.092 0.000 0.831 330 D CB 0.361 41.155 40.800 -0.010 0.000 1.001 330 D HN 0.227 nan 8.370 nan 0.000 0.499 331 T N 0.799 115.481 114.554 0.213 0.000 2.932 331 T HA 0.065 4.415 4.350 0.000 0.000 0.312 331 T C 0.620 175.408 174.700 0.147 0.000 1.071 331 T CA 0.078 62.299 62.100 0.202 0.000 1.128 331 T CB 1.051 70.041 68.868 0.203 0.000 0.984 331 T HN -0.004 nan 8.240 nan 0.000 0.549 332 K N 3.222 123.666 120.400 0.074 0.000 2.180 332 K HA 0.129 4.449 4.320 0.000 0.000 0.251 332 K C -1.303 175.184 176.600 -0.188 0.000 1.014 332 K CA -1.741 54.481 56.287 -0.109 0.000 0.913 332 K CB 0.271 32.722 32.500 -0.081 0.000 1.008 332 K HN 0.304 nan 8.250 nan 0.000 0.490 333 P HA -0.179 nan 4.420 nan 0.000 0.220 333 P C 0.284 177.513 177.300 -0.118 0.000 1.148 333 P CA 1.318 64.213 63.100 -0.342 0.000 0.803 333 P CB 0.171 31.582 31.700 -0.482 0.000 0.782 334 E N -0.792 119.359 120.200 -0.081 0.000 2.502 334 E HA 0.097 4.447 4.350 0.000 0.000 0.194 334 E C 1.360 177.949 176.600 -0.019 0.000 1.062 334 E CA 0.797 57.181 56.400 -0.028 0.000 0.867 334 E CB -0.892 28.807 29.700 -0.002 0.000 0.888 334 E HN 0.271 nan 8.360 nan 0.000 0.510 335 G N 1.976 110.767 108.800 -0.016 0.000 2.175 335 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 335 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 335 G C 0.137 175.025 174.900 -0.021 0.000 0.982 335 G CA 0.222 45.307 45.100 -0.025 0.000 0.641 335 G HN 0.523 nan 8.290 nan 0.000 0.527 336 N N -0.665 118.039 118.700 0.007 0.000 2.502 336 N HA 0.520 5.260 4.740 0.000 0.000 0.280 336 N C 0.483 176.062 175.510 0.115 0.000 1.223 336 N CA -0.802 52.223 53.050 -0.041 0.000 0.966 336 N CB 0.111 38.486 38.487 -0.187 0.000 1.203 336 N HN 0.649 nan 8.380 nan 0.000 0.565 337 Y N -2.763 117.567 120.300 0.050 0.000 3.078 337 Y HA -0.177 4.373 4.550 0.000 0.000 0.202 337 Y C 0.614 176.646 175.900 0.221 0.000 1.322 337 Y CA 0.353 58.535 58.100 0.136 0.000 1.118 337 Y CB -2.284 36.217 38.460 0.068 0.000 1.343 337 Y HN 0.770 nan 8.280 nan 0.000 0.499 338 A N 0.405 123.380 122.820 0.260 0.000 2.561 338 A HA 0.617 4.937 4.320 0.000 0.000 0.234 338 A C 0.720 178.544 177.584 0.399 0.000 1.055 338 A CA 0.591 52.795 52.037 0.278 0.000 0.756 338 A CB 0.220 19.310 19.000 0.149 0.000 0.986 338 A HN 1.555 nan 8.150 nan 0.000 0.505 339 A N 2.089 125.156 122.820 0.412 0.000 2.599 339 A HA 0.595 4.915 4.320 0.000 0.000 0.294 339 A C -1.082 176.512 177.584 0.018 0.000 1.055 339 A CA -0.536 51.561 52.037 0.100 0.000 0.683 339 A CB 0.867 19.587 19.000 -0.467 0.000 1.278 339 A HN 0.709 nan 8.150 nan 0.000 0.412 340 I N 2.513 122.987 120.570 -0.160 0.000 2.378 340 I HA 0.392 4.562 4.170 0.000 0.000 0.291 340 I C -0.166 175.797 176.117 -0.255 0.000 0.992 340 I CA -0.424 60.642 61.300 -0.390 0.000 1.154 340 I CB 1.677 39.299 38.000 -0.630 0.000 1.315 340 I HN 0.768 nan 8.210 nan 0.000 0.448 341 M N 5.777 125.223 119.600 -0.257 0.000 2.157 341 M HA 0.591 5.071 4.480 0.000 0.000 0.354 341 M C -0.355 175.796 176.300 -0.248 0.000 1.170 341 M CA -0.182 54.999 55.300 -0.199 0.000 1.060 341 M CB 1.059 33.562 32.600 -0.160 0.000 1.615 341 M HN 0.698 nan 8.290 nan 0.000 0.460 342 G N 4.396 113.117 108.800 -0.132 0.000 2.563 342 G HA2 0.705 4.665 3.960 0.000 0.000 0.302 342 G HA3 0.705 4.665 3.960 0.000 0.000 0.302 342 G C -1.895 172.958 174.900 -0.079 0.000 1.301 342 G CA -0.550 44.507 45.100 -0.072 0.000 0.965 342 G HN 0.662 nan 8.290 nan 0.000 0.480 343 F N 0.364 120.458 119.950 0.240 0.000 2.436 343 F HA 0.486 5.013 4.527 0.000 0.000 0.340 343 F C 0.497 176.404 175.800 0.177 0.000 1.113 343 F CA -0.720 57.419 58.000 0.231 0.000 1.022 343 F CB 2.232 41.394 39.000 0.271 0.000 1.128 343 F HN 0.051 nan 8.300 nan 0.000 0.466 344 I N 5.201 125.976 120.570 0.341 0.000 2.297 344 I HA 0.252 4.422 4.170 0.000 0.000 0.291 344 I C -0.673 175.526 176.117 0.136 0.000 1.033 344 I CA -0.246 61.167 61.300 0.188 0.000 1.253 344 I CB 0.690 38.772 38.000 0.137 0.000 1.396 344 I HN 0.381 nan 8.210 nan 0.000 0.476 345 L N 6.571 127.835 121.223 0.069 0.000 2.309 345 L HA 0.697 5.037 4.340 0.000 0.000 0.282 345 L C 0.975 177.800 176.870 -0.074 0.000 1.036 345 L CA -0.162 54.675 54.840 -0.005 0.000 0.806 345 L CB 1.502 43.566 42.059 0.008 0.000 1.220 345 L HN 0.905 nan 8.230 nan 0.000 0.429 346 A N 2.148 124.920 122.820 -0.081 0.000 5.295 346 A HA -0.362 3.958 4.320 0.000 0.000 0.313 346 A C 1.658 179.229 177.584 -0.022 0.000 1.912 346 A CA 1.467 53.465 52.037 -0.065 0.000 0.714 346 A CB -1.601 17.357 19.000 -0.071 0.000 1.319 346 A HN 1.074 nan 8.150 nan 0.000 0.375 347 H N 1.021 120.079 119.070 -0.019 0.000 2.456 347 H HA -0.002 4.554 4.556 0.000 0.000 0.296 347 H C 1.644 176.987 175.328 0.025 0.000 1.079 347 H CA 1.767 57.821 56.048 0.010 0.000 1.322 347 H CB -0.342 29.435 29.762 0.025 0.000 1.388 347 H HN 0.732 nan 8.280 nan 0.000 0.538 348 K N 0.661 120.732 120.400 -0.548 0.000 2.217 348 K HA 0.091 4.411 4.320 0.000 0.000 0.202 348 K C 2.522 179.063 176.600 -0.100 0.000 1.051 348 K CA 0.778 56.862 56.287 -0.338 0.000 0.952 348 K CB 0.103 32.417 32.500 -0.311 0.000 0.736 348 K HN 0.322 nan 8.250 nan 0.000 0.453 349 A N 1.764 124.552 122.820 -0.053 0.000 1.930 349 A HA -0.151 4.169 4.320 0.000 0.000 0.217 349 A C 2.011 179.609 177.584 0.023 0.000 1.175 349 A CA 1.120 53.165 52.037 0.014 0.000 0.627 349 A CB -0.265 18.757 19.000 0.038 0.000 0.815 349 A HN 0.194 nan 8.150 nan 0.000 0.443 350 R N -0.386 120.129 120.500 0.025 0.000 2.075 350 R HA -0.085 4.255 4.340 0.000 0.000 0.232 350 R C 2.342 178.666 176.300 0.040 0.000 1.126 350 R CA 1.497 57.621 56.100 0.041 0.000 0.963 350 R CB -0.301 30.035 30.300 0.059 0.000 0.858 350 R HN 0.594 nan 8.270 nan 0.000 0.435 351 K N 1.309 121.734 120.400 0.042 0.000 2.025 351 K HA -0.088 4.232 4.320 0.000 0.000 0.207 351 K C 1.773 178.391 176.600 0.029 0.000 1.049 351 K CA 1.215 57.530 56.287 0.046 0.000 0.933 351 K CB 0.040 32.578 32.500 0.063 0.000 0.714 351 K HN 0.122 nan 8.250 nan 0.000 0.438 352 L N 0.326 121.561 121.223 0.019 0.000 2.558 352 L HA 0.132 4.472 4.340 0.000 0.000 0.225 352 L C 2.204 179.092 176.870 0.029 0.000 1.128 352 L CA 0.194 55.046 54.840 0.021 0.000 0.868 352 L CB -0.066 42.004 42.059 0.018 0.000 1.006 352 L HN 0.217 nan 8.230 nan 0.000 0.454 353 A N 0.494 123.332 122.820 0.030 0.000 2.019 353 A HA -0.167 4.153 4.320 0.000 0.000 0.219 353 A C 2.369 179.967 177.584 0.023 0.000 1.164 353 A CA 1.163 53.217 52.037 0.030 0.000 0.644 353 A CB -0.361 18.655 19.000 0.027 0.000 0.805 353 A HN 0.331 nan 8.150 nan 0.000 0.449 354 R N -0.753 119.760 120.500 0.021 0.000 2.189 354 R HA 0.108 4.448 4.340 0.000 0.000 0.223 354 R C 0.181 176.491 176.300 0.015 0.000 1.092 354 R CA 0.107 56.217 56.100 0.016 0.000 0.989 354 R CB -0.351 29.959 30.300 0.016 0.000 0.876 354 R HN 0.464 nan 8.270 nan 0.000 0.457 355 L N 0.534 121.768 121.223 0.018 0.000 2.476 355 L HA 0.080 4.420 4.340 0.000 0.000 0.255 355 L C 1.064 177.946 176.870 0.021 0.000 1.218 355 L CA -0.336 54.514 54.840 0.016 0.000 0.819 355 L CB 0.369 42.436 42.059 0.013 0.000 1.119 355 L HN 0.157 nan 8.230 nan 0.000 0.485 356 T N -2.528 112.037 114.554 0.018 0.000 2.788 356 T HA 0.100 4.450 4.350 0.000 0.000 0.287 356 T C 0.892 175.619 174.700 0.044 0.000 1.007 356 T CA -0.623 61.492 62.100 0.025 0.000 1.005 356 T CB 1.183 70.062 68.868 0.018 0.000 1.012 356 T HN 0.682 nan 8.240 nan 0.000 0.530 357 K N 0.293 120.734 120.400 0.069 0.000 2.063 357 K HA -0.193 4.127 4.320 0.000 0.000 0.208 357 K C 1.956 178.612 176.600 0.093 0.000 1.048 357 K CA 1.815 58.188 56.287 0.143 0.000 0.928 357 K CB -0.212 32.379 32.500 0.151 0.000 0.713 357 K HN 0.682 nan 8.250 nan 0.000 0.442 358 E N 0.800 121.020 120.200 0.034 0.000 2.110 358 E HA -0.156 4.194 4.350 0.000 0.000 0.193 358 E C 1.792 178.353 176.600 -0.065 0.000 0.988 358 E CA 1.465 57.850 56.400 -0.026 0.000 0.804 358 E CB 0.013 29.707 29.700 -0.009 0.000 0.745 358 E HN 0.419 nan 8.360 nan 0.000 0.458 359 E N 0.245 120.424 120.200 -0.035 0.000 2.106 359 E HA -0.118 4.232 4.350 0.000 0.000 0.192 359 E C 2.130 178.688 176.600 -0.069 0.000 0.984 359 E CA 0.695 57.069 56.400 -0.044 0.000 0.806 359 E CB -0.033 29.655 29.700 -0.019 0.000 0.750 359 E HN 0.128 nan 8.360 nan 0.000 0.458 360 R N 0.312 120.780 120.500 -0.054 0.000 2.075 360 R HA -0.129 4.211 4.340 0.000 0.000 0.232 360 R C 2.468 178.630 176.300 -0.231 0.000 1.126 360 R CA 0.789 56.847 56.100 -0.070 0.000 0.963 360 R CB -0.337 29.993 30.300 0.051 0.000 0.858 360 R HN 0.123 nan 8.270 nan 0.000 0.435 361 L N 1.781 122.754 121.223 -0.416 0.000 2.012 361 L HA -0.218 4.122 4.340 0.000 0.000 0.210 361 L C 2.225 178.879 176.870 -0.360 0.000 1.073 361 L CA 1.905 56.335 54.840 -0.683 0.000 0.748 361 L CB -0.437 41.167 42.059 -0.758 0.000 0.891 361 L HN 0.003 nan 8.230 nan 0.000 0.431 362 K N -0.510 119.756 120.400 -0.223 0.000 2.026 362 K HA -0.219 4.101 4.320 0.000 0.000 0.208 362 K C 2.160 178.671 176.600 -0.148 0.000 1.048 362 K CA 1.697 57.897 56.287 -0.145 0.000 0.929 362 K CB -0.096 32.349 32.500 -0.093 0.000 0.713 362 K HN 0.334 nan 8.250 nan 0.000 0.439 363 K N 0.198 120.509 120.400 -0.149 0.000 2.063 363 K HA -0.155 4.165 4.320 0.000 0.000 0.208 363 K C 2.107 178.571 176.600 -0.227 0.000 1.048 363 K CA 1.302 57.504 56.287 -0.141 0.000 0.928 363 K CB -0.133 32.307 32.500 -0.100 0.000 0.713 363 K HN 0.054 nan 8.250 nan 0.000 0.442 364 L N 0.769 121.800 121.223 -0.321 0.000 2.056 364 L HA -0.196 4.144 4.340 0.000 0.000 0.207 364 L C 2.443 178.882 176.870 -0.719 0.000 1.078 364 L CA 1.521 55.999 54.840 -0.604 0.000 0.749 364 L CB -0.653 41.079 42.059 -0.546 0.000 0.901 364 L HN 0.242 nan 8.230 nan 0.000 0.433 365 C N -0.789 118.305 119.300 -0.343 0.000 2.425 365 C HA -0.133 4.327 4.460 0.000 0.000 0.277 365 C C 2.633 177.591 174.990 -0.055 0.000 1.280 365 C CA 0.453 59.417 59.018 -0.090 0.000 1.744 365 C CB -0.742 27.006 27.740 0.013 0.000 1.989 365 C HN 0.545 nan 8.230 nan 0.000 0.491 366 E N 0.392 120.532 120.200 -0.099 0.000 2.110 366 E HA -0.217 4.133 4.350 0.000 0.000 0.193 366 E C 2.003 178.568 176.600 -0.059 0.000 0.988 366 E CA 0.966 57.334 56.400 -0.054 0.000 0.804 366 E CB -0.270 29.398 29.700 -0.053 0.000 0.745 366 E HN 0.524 nan 8.360 nan 0.000 0.458 367 L N 0.389 121.531 121.223 -0.135 0.000 1.994 367 L HA -0.210 4.130 4.340 0.000 0.000 0.208 367 L C 2.026 178.902 176.870 0.011 0.000 1.071 367 L CA 1.755 56.530 54.840 -0.109 0.000 0.745 367 L CB -0.611 41.342 42.059 -0.177 0.000 0.892 367 L HN 0.198 nan 8.230 nan 0.000 0.431 368 Y N -0.776 119.512 120.300 -0.021 0.000 2.274 368 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 368 Y C 2.524 178.435 175.900 0.019 0.000 1.145 368 Y CA 0.232 58.324 58.100 -0.013 0.000 1.203 368 Y CB -0.496 37.998 38.460 0.056 0.000 0.984 368 Y HN 0.388 nan 8.280 nan 0.000 0.533 369 A N 0.814 123.744 122.820 0.184 0.000 1.902 369 A HA -0.214 4.106 4.320 0.000 0.000 0.217 369 A C 2.091 179.719 177.584 0.075 0.000 1.181 369 A CA 1.744 53.852 52.037 0.117 0.000 0.623 369 A CB -0.447 18.591 19.000 0.065 0.000 0.818 369 A HN 0.385 nan 8.150 nan 0.000 0.443 370 K N -0.590 119.830 120.400 0.033 0.000 2.025 370 K HA -0.048 4.272 4.320 0.000 0.000 0.207 370 K C 1.856 178.437 176.600 -0.032 0.000 1.049 370 K CA 1.472 57.763 56.287 0.006 0.000 0.933 370 K CB -0.320 32.167 32.500 -0.022 0.000 0.714 370 K HN 0.303 nan 8.250 nan 0.000 0.438 371 V N 1.576 121.408 119.914 -0.137 0.000 2.488 371 V HA -0.145 3.975 4.120 0.000 0.000 0.246 371 V C 1.990 178.026 176.094 -0.096 0.000 1.046 371 V CA 1.388 63.556 62.300 -0.221 0.000 1.053 371 V CB -0.311 31.338 31.823 -0.290 0.000 0.679 371 V HN 0.254 nan 8.190 nan 0.000 0.458 372 L N 0.542 121.753 121.223 -0.021 0.000 2.554 372 L HA 0.274 4.614 4.340 0.000 0.000 0.226 372 L C 1.627 178.631 176.870 0.224 0.000 1.137 372 L CA 0.751 55.627 54.840 0.061 0.000 0.863 372 L CB -0.722 41.462 42.059 0.208 0.000 0.985 372 L HN 0.538 nan 8.230 nan 0.000 0.451 373 G N 0.932 109.822 108.800 0.150 0.000 2.338 373 G HA2 -0.285 3.675 3.960 0.000 0.000 0.296 373 G HA3 -0.285 3.675 3.960 0.000 0.000 0.296 373 G C 0.092 175.082 174.900 0.151 0.000 1.040 373 G CA 0.657 45.847 45.100 0.150 0.000 1.004 373 G HN 0.365 nan 8.290 nan 0.000 0.509 374 S N -1.239 114.541 115.700 0.132 0.000 2.572 374 S HA 0.552 5.022 4.470 0.000 0.000 0.274 374 S C 1.165 175.734 174.600 -0.051 0.000 1.150 374 S CA -0.604 57.630 58.200 0.055 0.000 0.944 374 S CB 1.035 64.308 63.200 0.122 0.000 1.071 374 S HN 0.427 nan 8.310 nan 0.000 0.479 375 L N 3.713 124.882 121.223 -0.091 0.000 2.362 375 L HA 0.019 4.359 4.340 0.000 0.000 0.219 375 L C 2.164 178.907 176.870 -0.211 0.000 1.134 375 L CA 0.925 55.703 54.840 -0.102 0.000 0.807 375 L CB -0.293 41.724 42.059 -0.071 0.000 0.927 375 L HN 0.751 nan 8.230 nan 0.000 0.447 376 E N 0.632 120.561 120.200 -0.452 0.000 2.265 376 E HA -0.187 4.163 4.350 0.000 0.000 0.196 376 E C 2.213 178.377 176.600 -0.726 0.000 0.996 376 E CA 0.981 56.930 56.400 -0.752 0.000 0.832 376 E CB -0.059 28.812 29.700 -1.383 0.000 0.756 376 E HN 0.515 nan 8.360 nan 0.000 0.491 377 A N 0.984 123.497 122.820 -0.512 0.000 2.121 377 A HA -0.070 4.250 4.320 0.000 0.000 0.218 377 A C 1.951 179.697 177.584 0.270 0.000 1.154 377 A CA 0.603 52.642 52.037 0.004 0.000 0.679 377 A CB -0.331 18.835 19.000 0.277 0.000 0.795 377 A HN 0.145 nan 8.150 nan 0.000 0.458 378 L N -0.371 120.912 121.223 0.100 0.000 2.599 378 L HA 0.085 4.425 4.340 0.000 0.000 0.230 378 L C 0.176 177.124 176.870 0.129 0.000 1.141 378 L CA 0.150 55.053 54.840 0.106 0.000 0.877 378 L CB -0.028 42.050 42.059 0.032 0.000 1.009 378 L HN 0.190 nan 8.230 nan 0.000 0.447 379 E N 0.998 121.326 120.200 0.213 0.000 3.659 379 E HA 0.265 4.615 4.350 0.000 0.000 0.217 379 E C -2.273 174.502 176.600 0.292 0.000 1.141 379 E CA -1.683 54.831 56.400 0.190 0.000 1.340 379 E CB 0.358 30.128 29.700 0.116 0.000 1.295 379 E HN 0.132 nan 8.360 nan 0.000 0.434 380 P HA 0.003 nan 4.420 nan 0.000 0.269 380 P C 1.089 178.429 177.300 0.067 0.000 1.215 380 P CA -0.065 63.014 63.100 -0.036 0.000 0.780 380 P CB 1.402 33.030 31.700 -0.120 0.000 0.898 381 V N -1.930 118.040 119.914 0.095 0.000 3.644 381 V HA 0.318 4.438 4.120 0.000 0.000 0.267 381 V C 0.476 176.704 176.094 0.222 0.000 1.277 381 V CA 0.743 63.134 62.300 0.151 0.000 1.096 381 V CB -1.204 30.713 31.823 0.158 0.000 0.828 381 V HN 0.699 nan 8.190 nan 0.000 0.446 382 H N -1.178 117.966 119.070 0.124 0.000 2.987 382 H HA 0.608 5.164 4.556 0.000 0.000 0.316 382 H C -2.328 173.211 175.328 0.351 0.000 1.380 382 H CA -0.685 55.449 56.048 0.143 0.000 1.160 382 H CB 1.811 31.553 29.762 -0.034 0.000 1.865 382 H HN 0.139 nan 8.280 nan 0.000 0.521 383 Y N 1.467 121.499 120.300 -0.446 0.000 2.479 383 Y HA 0.521 5.071 4.550 -0.000 0.000 0.338 383 Y C -1.705 174.086 175.900 -0.182 0.000 1.055 383 Y CA -0.655 57.376 58.100 -0.116 0.000 1.023 383 Y CB 1.767 40.164 38.460 -0.105 0.000 1.287 383 Y HN 0.637 nan 8.280 nan 0.000 0.447 384 E N 4.279 124.250 120.200 -0.381 0.000 2.317 384 E HA 0.425 4.775 4.350 0.000 0.000 0.270 384 E C -1.465 174.797 176.600 -0.564 0.000 0.885 384 E CA -0.785 55.396 56.400 -0.366 0.000 0.760 384 E CB 2.777 32.489 29.700 0.020 0.000 1.227 384 E HN 0.776 nan 8.360 nan 0.000 0.434 385 E N 0.385 120.346 120.200 -0.398 0.000 2.430 385 E HA 0.671 5.021 4.350 0.000 0.000 0.279 385 E C -1.200 175.357 176.600 -0.072 0.000 1.003 385 E CA -1.067 55.195 56.400 -0.230 0.000 0.801 385 E CB 2.618 32.155 29.700 -0.270 0.000 1.313 385 E HN 0.172 nan 8.360 nan 0.000 0.459 386 K N 1.238 121.646 120.400 0.012 0.000 2.581 386 K HA 0.270 4.590 4.320 0.000 0.000 0.249 386 K C -1.611 174.952 176.600 -0.062 0.000 0.966 386 K CA -0.728 55.504 56.287 -0.093 0.000 0.811 386 K CB 1.478 33.897 32.500 -0.134 0.000 1.223 386 K HN 0.513 nan 8.250 nan 0.000 0.438 387 N N 4.108 122.729 118.700 -0.131 0.000 2.437 387 N HA 0.106 4.846 4.740 0.000 0.000 0.243 387 N C -0.279 175.159 175.510 -0.119 0.000 1.041 387 N CA -0.392 52.641 53.050 -0.030 0.000 0.940 387 N CB 0.326 38.808 38.487 -0.008 0.000 1.133 387 N HN 0.651 nan 8.380 nan 0.000 0.506 388 W N 2.152 123.486 121.300 0.057 0.000 2.699 388 W HA 0.059 4.719 4.660 -0.000 0.000 0.249 388 W C 1.894 178.425 176.519 0.020 0.000 1.280 388 W CA -0.116 57.256 57.345 0.046 0.000 1.345 388 W CB -0.094 29.407 29.460 0.069 0.000 1.128 388 W HN 0.583 nan 8.180 nan 0.000 0.642 389 C N -0.356 119.042 119.300 0.164 0.000 2.437 389 C HA -0.115 4.345 4.460 0.000 0.000 0.283 389 C C 2.013 177.026 174.990 0.038 0.000 1.424 389 C CA 0.760 59.834 59.018 0.092 0.000 1.782 389 C CB -1.129 26.649 27.740 0.063 0.000 1.833 389 C HN 0.357 nan 8.230 nan 0.000 0.532 390 E N 0.591 120.790 120.200 -0.002 0.000 2.481 390 E HA -0.024 4.326 4.350 0.000 0.000 0.195 390 E C 0.285 176.850 176.600 -0.058 0.000 1.047 390 E CA 0.293 56.666 56.400 -0.044 0.000 0.867 390 E CB 0.066 29.716 29.700 -0.083 0.000 0.858 390 E HN 0.603 nan 8.360 nan 0.000 0.513 391 E N 1.434 121.619 120.200 -0.026 0.000 2.129 391 E HA -0.029 4.321 4.350 0.000 0.000 0.283 391 E C 0.472 177.045 176.600 -0.044 0.000 1.080 391 E CA 0.081 56.468 56.400 -0.022 0.000 0.867 391 E CB 1.349 31.096 29.700 0.077 0.000 1.056 391 E HN 0.239 nan 8.360 nan 0.000 0.404 392 Q N 2.959 122.667 119.800 -0.154 0.000 2.135 392 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 392 Q C 0.396 176.145 176.000 -0.419 0.000 0.981 392 Q CA 1.690 57.280 55.803 -0.354 0.000 0.856 392 Q CB 0.076 28.453 28.738 -0.601 0.000 0.902 392 Q HN 0.601 nan 8.270 nan 0.000 0.425 393 Y N -1.009 119.316 120.300 0.042 0.000 2.493 393 Y HA 0.247 4.797 4.550 -0.000 0.000 0.275 393 Y C 1.575 177.532 175.900 0.095 0.000 1.183 393 Y CA -0.202 57.932 58.100 0.057 0.000 1.258 393 Y CB 0.881 39.368 38.460 0.044 0.000 1.108 393 Y HN 0.081 nan 8.280 nan 0.000 0.521 394 S N -1.590 114.229 115.700 0.199 0.000 2.807 394 S HA 0.282 4.752 4.470 0.000 0.000 0.247 394 S C 1.884 176.561 174.600 0.129 0.000 1.078 394 S CA 0.572 58.896 58.200 0.207 0.000 0.867 394 S CB 0.549 63.952 63.200 0.338 0.000 0.797 394 S HN 0.536 nan 8.310 nan 0.000 0.515 395 G N 1.030 109.887 108.800 0.093 0.000 2.225 395 G HA2 0.077 4.037 3.960 0.000 0.000 0.254 395 G HA3 0.077 4.037 3.960 0.000 0.000 0.254 395 G C 0.478 175.417 174.900 0.065 0.000 0.988 395 G CA 0.058 45.184 45.100 0.042 0.000 0.625 395 G HN 1.355 nan 8.290 nan 0.000 0.527 396 G N -2.341 106.538 108.800 0.131 0.000 2.352 396 G HA2 0.519 4.479 3.960 0.000 0.000 0.283 396 G HA3 0.519 4.479 3.960 0.000 0.000 0.283 396 G C -1.004 173.974 174.900 0.129 0.000 1.308 396 G CA 0.329 45.512 45.100 0.139 0.000 0.892 396 G HN 1.468 nan 8.290 nan 0.000 0.504 397 C N -1.676 117.645 119.300 0.035 0.000 3.311 397 C HA 0.603 5.063 4.460 0.000 0.000 0.325 397 C C 0.744 175.566 174.990 -0.281 0.000 1.352 397 C CA -0.624 58.334 59.018 -0.100 0.000 1.308 397 C CB 0.783 28.362 27.740 -0.268 0.000 1.619 397 C HN 0.726 nan 8.230 nan 0.000 0.469 398 Y N 0.566 120.797 120.300 -0.115 0.000 2.337 398 Y HA 0.224 4.774 4.550 -0.000 0.000 0.293 398 Y C 1.576 177.441 175.900 -0.060 0.000 1.123 398 Y CA 1.103 59.105 58.100 -0.163 0.000 1.201 398 Y CB -0.350 37.991 38.460 -0.199 0.000 1.011 398 Y HN 0.671 nan 8.280 nan 0.000 0.545 399 T N -1.811 112.827 114.554 0.139 0.000 2.731 399 T HA 0.343 4.693 4.350 0.000 0.000 0.300 399 T C -0.788 174.016 174.700 0.173 0.000 1.283 399 T CA -0.718 61.506 62.100 0.207 0.000 1.005 399 T CB 1.116 70.200 68.868 0.361 0.000 1.420 399 T HN -0.157 nan 8.240 nan 0.000 0.503 400 T N 2.747 117.416 114.554 0.191 0.000 2.851 400 T HA 0.455 4.805 4.350 0.000 0.000 0.298 400 T C -0.749 173.965 174.700 0.023 0.000 0.977 400 T CA 0.075 62.190 62.100 0.025 0.000 1.126 400 T CB -0.449 68.432 68.868 0.021 0.000 0.916 400 T HN 0.463 nan 8.240 nan 0.000 0.529 401 Y N 1.018 121.099 120.300 -0.364 0.000 2.496 401 Y HA 0.795 5.345 4.550 -0.000 0.000 0.331 401 Y C -1.206 174.120 175.900 -0.956 0.000 1.140 401 Y CA -2.224 55.298 58.100 -0.963 0.000 1.166 401 Y CB 0.776 38.802 38.460 -0.724 0.000 1.249 401 Y HN 0.395 nan 8.280 nan 0.000 0.479 402 F N 3.011 122.195 119.950 -1.275 0.000 2.402 402 F HA 0.571 5.098 4.527 -0.000 0.000 0.355 402 F C -2.328 173.378 175.800 -0.158 0.000 1.123 402 F CA -2.739 54.897 58.000 -0.607 0.000 1.021 402 F CB 1.544 40.251 39.000 -0.488 0.000 1.160 402 F HN 0.357 nan 8.300 nan 0.000 0.451 403 P HA 0.130 nan 4.420 nan 0.000 0.273 403 P C -2.546 174.859 177.300 0.175 0.000 1.250 403 P CA -1.143 62.044 63.100 0.144 0.000 0.793 403 P CB -0.084 31.649 31.700 0.056 0.000 1.011 404 P HA -0.013 nan 4.420 nan 0.000 0.265 404 P C 0.835 178.232 177.300 0.161 0.000 1.193 404 P CA 1.104 64.311 63.100 0.178 0.000 0.765 404 P CB 0.029 31.816 31.700 0.144 0.000 0.823 405 G N 2.786 111.696 108.800 0.182 0.000 2.217 405 G HA2 -0.260 3.700 3.960 0.000 0.000 0.246 405 G HA3 -0.260 3.700 3.960 0.000 0.000 0.246 405 G C 0.800 175.822 174.900 0.203 0.000 0.990 405 G CA 0.089 45.287 45.100 0.163 0.000 0.627 405 G HN 0.440 nan 8.290 nan 0.000 0.522 406 I N 0.142 120.866 120.570 0.257 0.000 2.494 406 I HA 0.177 4.347 4.170 0.000 0.000 0.250 406 I C 2.588 178.963 176.117 0.430 0.000 1.112 406 I CA 1.220 62.730 61.300 0.351 0.000 1.438 406 I CB -1.055 37.075 38.000 0.217 0.000 1.111 406 I HN 0.275 nan 8.210 nan 0.000 0.431 407 L N 1.201 122.661 121.223 0.395 0.000 2.083 407 L HA -0.183 4.157 4.340 0.000 0.000 0.209 407 L C 2.593 179.552 176.870 0.147 0.000 1.083 407 L CA 2.367 57.311 54.840 0.174 0.000 0.752 407 L CB -0.887 41.171 42.059 -0.001 0.000 0.899 407 L HN 0.400 nan 8.230 nan 0.000 0.433 408 T N -4.336 110.312 114.554 0.157 0.000 2.857 408 T HA -0.129 4.221 4.350 0.000 0.000 0.266 408 T C 1.808 176.482 174.700 -0.044 0.000 1.048 408 T CA 0.844 63.008 62.100 0.107 0.000 1.139 408 T CB -0.316 68.616 68.868 0.107 0.000 0.874 408 T HN 0.336 nan 8.240 nan 0.000 0.455 409 Q N -0.052 119.714 119.800 -0.056 0.000 2.212 409 Q HA 0.105 4.445 4.340 0.000 0.000 0.199 409 Q C 1.032 176.699 176.000 -0.556 0.000 0.950 409 Q CA 1.167 56.781 55.803 -0.314 0.000 0.863 409 Q CB 0.006 28.545 28.738 -0.332 0.000 0.944 409 Q HN 0.776 nan 8.270 nan 0.000 0.465 410 Y N -1.808 118.434 120.300 -0.096 0.000 2.471 410 Y HA 0.266 4.816 4.550 0.000 0.000 0.249 410 Y C 1.983 177.762 175.900 -0.201 0.000 1.116 410 Y CA 0.054 58.075 58.100 -0.132 0.000 1.240 410 Y CB 0.279 38.706 38.460 -0.056 0.000 1.251 410 Y HN 0.076 nan 8.280 nan 0.000 0.527 411 G N 0.758 109.467 108.800 -0.152 0.000 2.442 411 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 411 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 411 G C 1.686 176.106 174.900 -0.801 0.000 1.141 411 G CA 0.796 45.696 45.100 -0.333 0.000 0.763 411 G HN 0.288 nan 8.290 nan 0.000 0.554 412 R N -0.314 119.436 120.500 -1.249 0.000 2.159 412 R HA -0.040 4.300 4.340 0.000 0.000 0.237 412 R C 2.622 178.677 176.300 -0.407 0.000 1.131 412 R CA 1.206 56.682 56.100 -1.040 0.000 0.982 412 R CB -0.335 29.458 30.300 -0.845 0.000 0.868 412 R HN 0.405 nan 8.270 nan 0.000 0.453 413 V N -0.008 119.730 119.914 -0.293 0.000 3.041 413 V HA -0.068 4.052 4.120 0.000 0.000 0.260 413 V C 1.718 177.705 176.094 -0.178 0.000 1.105 413 V CA 0.977 63.167 62.300 -0.183 0.000 1.125 413 V CB -0.151 31.588 31.823 -0.140 0.000 0.730 413 V HN 0.141 nan 8.190 nan 0.000 0.479 414 L N 0.991 122.146 121.223 -0.114 0.000 2.042 414 L HA -0.065 4.275 4.340 0.000 0.000 0.210 414 L C 2.704 179.529 176.870 -0.075 0.000 1.076 414 L CA 2.095 56.889 54.840 -0.076 0.000 0.749 414 L CB -0.698 41.418 42.059 0.095 0.000 0.893 414 L HN 0.318 nan 8.230 nan 0.000 0.432 415 R N -1.449 119.096 120.500 0.076 0.000 2.334 415 R HA 0.092 4.432 4.340 0.000 0.000 0.216 415 R C 0.472 176.916 176.300 0.240 0.000 0.905 415 R CA -0.174 56.062 56.100 0.227 0.000 1.064 415 R CB 0.207 30.698 30.300 0.319 0.000 1.046 415 R HN 0.404 nan 8.270 nan 0.000 0.508 416 Q N 2.209 122.069 119.800 0.101 0.000 2.286 416 Q HA 0.129 4.469 4.340 0.000 0.000 0.267 416 Q C -2.333 173.783 176.000 0.193 0.000 1.028 416 Q CA -1.897 53.969 55.803 0.105 0.000 0.901 416 Q CB 0.925 29.666 28.738 0.005 0.000 1.183 416 Q HN -0.128 nan 8.270 nan 0.000 0.392 417 P HA -0.029 nan 4.420 nan 0.000 0.269 417 P C -1.319 175.983 177.300 0.002 0.000 1.215 417 P CA -0.121 62.928 63.100 -0.085 0.000 0.780 417 P CB 0.699 32.085 31.700 -0.523 0.000 0.898 418 V N 3.037 122.959 119.914 0.013 0.000 2.284 418 V HA 0.162 4.282 4.120 0.000 0.000 0.274 418 V C 0.634 176.694 176.094 -0.056 0.000 1.023 418 V CA 0.032 62.340 62.300 0.013 0.000 0.808 418 V CB 0.211 32.083 31.823 0.082 0.000 1.035 418 V HN 0.775 nan 8.190 nan 0.000 0.445 419 D N 4.155 124.525 120.400 -0.050 0.000 4.372 419 D HA -0.307 4.333 4.640 0.000 0.000 0.169 419 D C 1.307 177.592 176.300 -0.025 0.000 0.680 419 D CA 2.428 56.416 54.000 -0.021 0.000 1.152 419 D CB -0.226 40.575 40.800 0.001 0.000 0.585 419 D HN 0.594 nan 8.370 nan 0.000 0.493 420 R N -0.152 120.359 120.500 0.018 0.000 2.509 420 R HA 0.460 4.800 4.340 0.000 0.000 0.300 420 R C -0.268 176.125 176.300 0.156 0.000 0.985 420 R CA -0.175 56.035 56.100 0.183 0.000 1.092 420 R CB 0.466 30.820 30.300 0.089 0.000 1.237 420 R HN 0.277 nan 8.270 nan 0.000 0.546 421 I N 1.111 121.620 120.570 -0.103 0.000 2.336 421 I HA 0.242 4.412 4.170 0.000 0.000 0.292 421 I C -0.594 175.162 176.117 -0.602 0.000 0.991 421 I CA -0.709 60.453 61.300 -0.229 0.000 1.227 421 I CB 0.747 38.601 38.000 -0.244 0.000 1.366 421 I HN -0.073 nan 8.210 nan 0.000 0.466 422 Y N 5.226 125.275 120.300 -0.419 0.000 2.487 422 Y HA 0.543 5.093 4.550 0.000 0.000 0.337 422 Y C -0.552 174.985 175.900 -0.604 0.000 1.076 422 Y CA -0.661 57.222 58.100 -0.361 0.000 1.115 422 Y CB 1.613 39.986 38.460 -0.144 0.000 1.235 422 Y HN 0.287 nan 8.280 nan 0.000 0.468 423 F N 1.312 121.367 119.950 0.176 0.000 2.449 423 F HA 0.709 5.237 4.527 -0.000 0.000 0.342 423 F C 0.397 176.276 175.800 0.131 0.000 1.127 423 F CA -0.523 57.555 58.000 0.131 0.000 0.975 423 F CB 1.193 40.254 39.000 0.102 0.000 1.146 423 F HN 0.605 nan 8.300 nan 0.000 0.444 424 A N 2.308 125.271 122.820 0.239 0.000 3.791 424 A HA 0.960 5.280 4.320 0.000 0.000 0.159 424 A C 0.339 178.056 177.584 0.222 0.000 1.359 424 A CA -0.425 51.723 52.037 0.185 0.000 0.899 424 A CB -0.012 19.053 19.000 0.108 0.000 1.642 424 A HN 1.488 nan 8.150 nan 0.000 0.612 425 G N -2.459 106.450 108.800 0.181 0.000 2.721 425 G HA2 0.082 4.042 3.960 0.000 0.000 0.686 425 G HA3 0.082 4.042 3.960 0.000 0.000 0.686 425 G C 0.434 175.467 174.900 0.222 0.000 1.236 425 G CA 0.610 45.825 45.100 0.192 0.000 0.786 425 G HN 1.517 nan 8.290 nan 0.000 0.616 426 T N 0.203 114.889 114.554 0.220 0.000 2.803 426 T HA -0.097 4.253 4.350 0.000 0.000 0.269 426 T C 2.135 177.039 174.700 0.339 0.000 1.052 426 T CA 2.634 64.891 62.100 0.262 0.000 1.136 426 T CB -0.183 68.834 68.868 0.248 0.000 0.864 426 T HN 0.623 nan 8.240 nan 0.000 0.467 427 E N 0.576 120.981 120.200 0.343 0.000 2.267 427 E HA -0.067 4.283 4.350 0.000 0.000 0.197 427 E C 2.196 179.053 176.600 0.428 0.000 0.998 427 E CA 1.516 58.171 56.400 0.425 0.000 0.830 427 E CB -0.241 29.674 29.700 0.358 0.000 0.751 427 E HN 0.707 nan 8.360 nan 0.000 0.491 428 T N -2.627 112.144 114.554 0.361 0.000 3.086 428 T HA 0.464 4.814 4.350 0.000 0.000 0.250 428 T C 0.794 175.736 174.700 0.403 0.000 1.074 428 T CA 0.010 62.326 62.100 0.361 0.000 0.988 428 T CB 0.183 69.244 68.868 0.321 0.000 0.988 428 T HN 0.100 nan 8.240 nan 0.000 0.530 429 A N 1.721 124.784 122.820 0.405 0.000 2.313 429 A HA 0.550 4.870 4.320 0.000 0.000 0.261 429 A C 1.521 179.376 177.584 0.451 0.000 1.090 429 A CA 0.088 52.368 52.037 0.404 0.000 0.807 429 A CB 0.378 19.578 19.000 0.333 0.000 1.055 429 A HN 0.493 nan 8.150 nan 0.000 0.492 430 T N -2.531 112.263 114.554 0.401 0.000 3.010 430 T HA 0.236 4.586 4.350 0.000 0.000 0.257 430 T C 0.275 175.079 174.700 0.173 0.000 1.020 430 T CA 0.715 63.002 62.100 0.313 0.000 0.938 430 T CB -0.404 68.573 68.868 0.182 0.000 1.049 430 T HN 0.761 nan 8.240 nan 0.000 0.522 431 H N -1.212 117.884 119.070 0.043 0.000 2.877 431 H HA 0.296 4.852 4.556 0.000 0.000 0.347 431 H C -0.990 174.340 175.328 0.002 0.000 1.042 431 H CA -1.223 54.757 56.048 -0.113 0.000 1.276 431 H CB 1.005 30.765 29.762 -0.003 0.000 1.681 431 H HN 0.284 nan 8.280 nan 0.000 0.521 432 W N 2.209 123.316 121.300 -0.322 0.000 5.538 432 W HA -0.252 4.408 4.660 0.000 0.000 0.377 432 W C 0.423 176.909 176.519 -0.056 0.000 1.406 432 W CA 0.916 58.014 57.345 -0.412 0.000 0.940 432 W CB -1.622 27.498 29.460 -0.566 0.000 2.536 432 W HN 0.386 nan 8.180 nan 0.000 1.504 433 S N 0.518 116.279 115.700 0.101 0.000 2.552 433 S HA 0.389 4.859 4.470 0.000 0.000 0.289 433 S C 1.365 176.201 174.600 0.394 0.000 1.304 433 S CA 1.651 60.023 58.200 0.286 0.000 1.063 433 S CB 0.787 64.220 63.200 0.388 0.000 0.848 433 S HN 1.352 nan 8.310 nan 0.000 0.499 434 G N 3.215 112.300 108.800 0.476 0.000 2.238 434 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 434 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 434 G C -0.238 174.766 174.900 0.174 0.000 0.996 434 G CA 0.129 45.502 45.100 0.455 0.000 0.632 434 G HN 0.679 nan 8.290 nan 0.000 0.503 435 Y N -0.316 120.102 120.300 0.196 0.000 2.621 435 Y HA 0.707 5.257 4.550 -0.000 0.000 0.334 435 Y C 1.986 177.928 175.900 0.071 0.000 1.074 435 Y CA -0.765 57.397 58.100 0.104 0.000 1.149 435 Y CB 0.899 39.405 38.460 0.077 0.000 1.302 435 Y HN -0.024 nan 8.280 nan 0.000 0.501 436 M N -0.162 119.547 119.600 0.182 0.000 2.106 436 M HA -0.217 4.263 4.480 0.000 0.000 0.259 436 M C 1.835 178.199 176.300 0.107 0.000 1.068 436 M CA 2.052 57.424 55.300 0.120 0.000 1.100 436 M CB -0.277 32.386 32.600 0.105 0.000 1.351 436 M HN 0.781 nan 8.290 nan 0.000 0.404 437 E N 0.778 121.016 120.200 0.065 0.000 2.058 437 E HA -0.154 4.196 4.350 0.000 0.000 0.194 437 E C 1.968 178.633 176.600 0.107 0.000 0.997 437 E CA 2.085 58.487 56.400 0.002 0.000 0.801 437 E CB -0.694 28.874 29.700 -0.220 0.000 0.746 437 E HN 0.438 nan 8.360 nan 0.000 0.450 438 G N -0.006 108.913 108.800 0.198 0.000 2.432 438 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 438 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 438 G C 1.698 176.718 174.900 0.199 0.000 1.135 438 G CA 1.079 46.319 45.100 0.233 0.000 0.767 438 G HN 0.474 nan 8.290 nan 0.000 0.550 439 A N 0.204 123.128 122.820 0.172 0.000 1.902 439 A HA 0.063 4.383 4.320 0.000 0.000 0.217 439 A C 2.607 180.255 177.584 0.107 0.000 1.181 439 A CA 1.863 53.984 52.037 0.140 0.000 0.623 439 A CB -0.615 18.454 19.000 0.116 0.000 0.818 439 A HN 0.251 nan 8.150 nan 0.000 0.443 440 V N 0.092 120.060 119.914 0.090 0.000 2.307 440 V HA -0.252 3.868 4.120 0.000 0.000 0.245 440 V C 2.542 178.677 176.094 0.070 0.000 1.045 440 V CA 2.184 64.522 62.300 0.063 0.000 1.024 440 V CB -0.751 31.101 31.823 0.048 0.000 0.651 440 V HN 0.751 nan 8.190 nan 0.000 0.449 441 E N 0.517 120.779 120.200 0.103 0.000 2.070 441 E HA -0.283 4.067 4.350 0.000 0.000 0.197 441 E C 2.209 178.859 176.600 0.083 0.000 1.004 441 E CA 1.798 58.271 56.400 0.121 0.000 0.805 441 E CB -0.192 29.629 29.700 0.202 0.000 0.744 441 E HN 0.548 nan 8.360 nan 0.000 0.451 442 A N 0.523 123.414 122.820 0.117 0.000 1.930 442 A HA -0.033 4.287 4.320 0.000 0.000 0.217 442 A C 2.371 179.978 177.584 0.038 0.000 1.175 442 A CA 1.572 53.667 52.037 0.096 0.000 0.627 442 A CB -0.845 18.257 19.000 0.171 0.000 0.815 442 A HN 0.447 nan 8.150 nan 0.000 0.443 443 G N -0.481 108.345 108.800 0.044 0.000 2.394 443 G HA2 -0.144 3.816 3.960 0.000 0.000 0.215 443 G HA3 -0.144 3.816 3.960 0.000 0.000 0.215 443 G C 1.432 176.317 174.900 -0.025 0.000 1.165 443 G CA 0.874 45.985 45.100 0.019 0.000 0.784 443 G HN 0.631 nan 8.290 nan 0.000 0.535 444 E N -0.199 119.983 120.200 -0.031 0.000 2.107 444 E HA -0.043 4.307 4.350 0.000 0.000 0.191 444 E C 2.570 179.093 176.600 -0.128 0.000 0.982 444 E CA 0.153 56.518 56.400 -0.059 0.000 0.809 444 E CB -0.078 29.603 29.700 -0.032 0.000 0.756 444 E HN 0.164 nan 8.360 nan 0.000 0.459 445 R N 1.289 121.677 120.500 -0.186 0.000 2.073 445 R HA -0.091 4.249 4.340 0.000 0.000 0.234 445 R C 2.120 178.236 176.300 -0.307 0.000 1.134 445 R CA 1.499 57.367 56.100 -0.386 0.000 0.952 445 R CB -0.391 29.500 30.300 -0.682 0.000 0.850 445 R HN 0.149 nan 8.270 nan 0.000 0.433 446 A N 0.915 123.632 122.820 -0.172 0.000 1.908 446 A HA -0.110 4.210 4.320 0.000 0.000 0.218 446 A C 2.445 179.918 177.584 -0.184 0.000 1.181 446 A CA 2.016 53.990 52.037 -0.104 0.000 0.627 446 A CB -0.825 18.177 19.000 0.004 0.000 0.818 446 A HN 0.510 nan 8.150 nan 0.000 0.445 447 A N -0.217 122.512 122.820 -0.152 0.000 1.883 447 A HA -0.214 4.106 4.320 0.000 0.000 0.217 447 A C 2.254 179.710 177.584 -0.214 0.000 1.186 447 A CA 1.705 53.642 52.037 -0.167 0.000 0.624 447 A CB -0.495 18.443 19.000 -0.103 0.000 0.822 447 A HN 0.562 nan 8.150 nan 0.000 0.444 448 R N -0.555 119.826 120.500 -0.198 0.000 2.148 448 R HA -0.070 4.270 4.340 0.000 0.000 0.223 448 R C 2.023 178.198 176.300 -0.209 0.000 1.088 448 R CA 1.159 57.150 56.100 -0.182 0.000 0.985 448 R CB -0.250 29.953 30.300 -0.162 0.000 0.880 448 R HN 0.688 nan 8.270 nan 0.000 0.451 449 E N 0.702 120.736 120.200 -0.276 0.000 2.085 449 E HA -0.203 4.147 4.350 0.000 0.000 0.194 449 E C 1.940 178.217 176.600 -0.538 0.000 0.994 449 E CA 1.180 57.402 56.400 -0.297 0.000 0.801 449 E CB -0.092 29.460 29.700 -0.246 0.000 0.743 449 E HN 0.338 nan 8.360 nan 0.000 0.453 450 I N 0.880 121.008 120.570 -0.737 0.000 2.202 450 I HA -0.266 3.904 4.170 0.000 0.000 0.242 450 I C 2.339 178.129 176.117 -0.546 0.000 1.091 450 I CA 0.826 61.592 61.300 -0.890 0.000 1.368 450 I CB -0.158 37.364 38.000 -0.796 0.000 1.058 450 I HN 0.106 nan 8.210 nan 0.000 0.410 451 L N -0.034 120.995 121.223 -0.323 0.000 2.042 451 L HA -0.294 4.046 4.340 0.000 0.000 0.210 451 L C 2.741 179.532 176.870 -0.132 0.000 1.076 451 L CA 1.685 56.415 54.840 -0.184 0.000 0.749 451 L CB -0.926 41.065 42.059 -0.114 0.000 0.893 451 L HN 0.364 nan 8.230 nan 0.000 0.432 452 H N 0.116 119.070 119.070 -0.193 0.000 2.353 452 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 452 H C 2.118 177.379 175.328 -0.112 0.000 1.090 452 H CA 1.521 57.496 56.048 -0.121 0.000 1.327 452 H CB 0.025 29.734 29.762 -0.088 0.000 1.383 452 H HN 0.266 nan 8.280 nan 0.000 0.508 453 A N 0.404 123.037 122.820 -0.312 0.000 1.978 453 A HA -0.153 4.167 4.320 0.000 0.000 0.220 453 A C 2.279 179.755 177.584 -0.179 0.000 1.170 453 A CA 1.760 53.635 52.037 -0.270 0.000 0.636 453 A CB -0.635 18.212 19.000 -0.255 0.000 0.810 453 A HN 0.567 nan 8.150 nan 0.000 0.448 454 M N -1.296 118.186 119.600 -0.197 0.000 2.618 454 M HA 0.146 4.626 4.480 0.000 0.000 0.240 454 M C 1.339 177.595 176.300 -0.073 0.000 1.123 454 M CA 0.726 55.986 55.300 -0.066 0.000 1.060 454 M CB 0.118 32.683 32.600 -0.059 0.000 1.535 454 M HN 0.609 nan 8.290 nan 0.000 0.507 455 G N 1.243 109.960 108.800 -0.138 0.000 2.153 455 G HA2 -0.295 3.665 3.960 0.000 0.000 0.252 455 G HA3 -0.295 3.665 3.960 0.000 0.000 0.252 455 G C 0.844 175.716 174.900 -0.047 0.000 0.994 455 G CA 0.667 45.704 45.100 -0.105 0.000 0.698 455 G HN 0.485 nan 8.290 nan 0.000 0.521 456 K N -0.510 119.862 120.400 -0.045 0.000 2.243 456 K HA 0.303 4.623 4.320 0.000 0.000 0.201 456 K C 1.417 178.017 176.600 -0.000 0.000 1.051 456 K CA 1.304 57.577 56.287 -0.023 0.000 0.970 456 K CB 0.224 32.703 32.500 -0.035 0.000 0.755 456 K HN 0.820 nan 8.250 nan 0.000 0.465 457 I N -2.047 118.540 120.570 0.028 0.000 2.969 457 I HA 0.471 4.641 4.170 0.000 0.000 0.307 457 I C -2.988 173.219 176.117 0.151 0.000 1.149 457 I CA -3.000 58.335 61.300 0.058 0.000 1.008 457 I CB 2.401 40.419 38.000 0.030 0.000 1.232 457 I HN -0.256 nan 8.210 nan 0.000 0.435 458 P HA 0.140 nan 4.420 nan 0.000 0.276 458 P C 0.217 177.522 177.300 0.009 0.000 1.261 458 P CA -0.013 63.166 63.100 0.132 0.000 0.800 458 P CB 1.191 32.929 31.700 0.063 0.000 1.066 459 E N 0.981 121.090 120.200 -0.151 0.000 2.130 459 E HA -0.255 4.095 4.350 0.000 0.000 0.196 459 E C 1.055 177.564 176.600 -0.152 0.000 0.998 459 E CA 1.899 58.035 56.400 -0.439 0.000 0.806 459 E CB -0.397 29.125 29.700 -0.297 0.000 0.738 459 E HN 0.452 nan 8.360 nan 0.000 0.459 460 D N -0.211 120.163 120.400 -0.044 0.000 2.363 460 D HA -0.120 4.520 4.640 0.000 0.000 0.226 460 D C 0.842 177.164 176.300 0.037 0.000 1.020 460 D CA 0.539 54.549 54.000 0.016 0.000 0.892 460 D CB -0.105 40.708 40.800 0.022 0.000 0.900 460 D HN 0.391 nan 8.370 nan 0.000 0.531 461 E N -0.468 119.736 120.200 0.008 0.000 2.498 461 E HA 0.215 4.565 4.350 0.000 0.000 0.203 461 E C 1.765 178.358 176.600 -0.012 0.000 1.013 461 E CA -0.260 56.148 56.400 0.014 0.000 0.927 461 E CB 0.352 30.056 29.700 0.007 0.000 1.012 461 E HN 0.290 nan 8.360 nan 0.000 0.482 462 I N 0.039 120.588 120.570 -0.035 0.000 2.179 462 I HA -0.182 3.988 4.170 0.000 0.000 0.242 462 I C 0.435 176.410 176.117 -0.237 0.000 1.088 462 I CA 1.203 62.413 61.300 -0.151 0.000 1.357 462 I CB 0.082 37.980 38.000 -0.169 0.000 1.051 462 I HN 0.097 nan 8.210 nan 0.000 0.409 463 W N 1.359 122.657 121.300 -0.003 0.000 2.376 463 W HA 0.505 5.165 4.660 0.000 0.000 0.312 463 W C 0.067 176.594 176.519 0.013 0.000 1.060 463 W CA -0.276 57.079 57.345 0.017 0.000 1.221 463 W CB 0.701 30.173 29.460 0.021 0.000 1.281 463 W HN -0.070 nan 8.180 nan 0.000 0.456 464 Q N 2.648 122.573 119.800 0.208 0.000 2.340 464 Q HA 0.431 4.771 4.340 0.000 0.000 0.268 464 Q C 0.156 176.236 176.000 0.133 0.000 1.031 464 Q CA -0.536 55.344 55.803 0.127 0.000 0.804 464 Q CB 1.704 30.481 28.738 0.065 0.000 1.286 464 Q HN 0.566 nan 8.270 nan 0.000 0.448 465 S N 2.422 118.184 115.700 0.104 0.000 2.589 465 S HA 0.245 4.715 4.470 0.000 0.000 0.265 465 S C -0.175 174.473 174.600 0.080 0.000 1.342 465 S CA -0.507 57.747 58.200 0.090 0.000 1.005 465 S CB 1.203 64.439 63.200 0.060 0.000 0.909 465 S HN 0.673 nan 8.310 nan 0.000 0.555 466 E N 0.770 121.019 120.200 0.081 0.000 2.224 466 E HA 0.570 4.920 4.350 0.000 0.000 0.265 466 E C -2.828 173.806 176.600 0.056 0.000 0.878 466 E CA -2.150 54.292 56.400 0.069 0.000 0.759 466 E CB 1.063 30.813 29.700 0.083 0.000 1.164 466 E HN 0.518 nan 8.360 nan 0.000 0.414 467 P HA 0.070 nan 4.420 nan 0.000 0.269 467 P C -0.733 176.587 177.300 0.034 0.000 1.209 467 P CA -0.190 62.930 63.100 0.034 0.000 0.776 467 P CB 0.511 32.227 31.700 0.026 0.000 0.876 468 E N 1.451 121.669 120.200 0.031 0.000 2.384 468 E HA 0.073 4.423 4.350 0.000 0.000 0.266 468 E C -0.087 176.524 176.600 0.019 0.000 1.012 468 E CA -0.254 56.162 56.400 0.028 0.000 0.901 468 E CB 0.396 30.111 29.700 0.025 0.000 0.967 468 E HN 0.377 nan 8.360 nan 0.000 0.435 469 S N 2.948 118.656 115.700 0.014 0.000 2.563 469 S HA -0.068 4.402 4.470 0.000 0.000 0.294 469 S C 1.235 175.840 174.600 0.008 0.000 1.279 469 S CA -0.016 58.190 58.200 0.010 0.000 1.069 469 S CB 0.763 63.963 63.200 -0.001 0.000 0.828 469 S HN 0.529 nan 8.310 nan 0.000 0.497 470 V N 2.030 121.950 119.914 0.011 0.000 2.871 470 V HA 0.038 4.158 4.120 0.000 0.000 0.256 470 V C 1.475 177.574 176.094 0.008 0.000 1.082 470 V CA 1.614 63.919 62.300 0.010 0.000 1.105 470 V CB -0.550 31.279 31.823 0.011 0.000 0.713 470 V HN 0.824 nan 8.190 nan 0.000 0.473 471 D N 0.844 121.249 120.400 0.008 0.000 2.271 471 D HA 0.103 4.743 4.640 0.000 0.000 0.206 471 D C 0.846 177.144 176.300 -0.004 0.000 0.967 471 D CA 1.118 55.123 54.000 0.008 0.000 0.867 471 D CB 0.861 41.671 40.800 0.016 0.000 0.960 471 D HN 0.529 nan 8.370 nan 0.000 0.509 472 V N 3.175 123.082 119.914 -0.013 0.000 2.468 472 V HA 0.180 4.300 4.120 0.000 0.000 0.256 472 V C -2.460 173.619 176.094 -0.024 0.000 0.998 472 V CA -1.207 61.075 62.300 -0.031 0.000 1.114 472 V CB 1.238 33.025 31.823 -0.059 0.000 1.378 472 V HN -0.056 nan 8.190 nan 0.000 0.573 473 P HA 0.345 nan 4.420 nan 0.000 0.275 473 P C -0.188 177.109 177.300 -0.005 0.000 1.228 473 P CA 0.205 63.303 63.100 -0.004 0.000 0.786 473 P CB 1.428 33.128 31.700 0.001 0.000 0.927 474 A N 3.109 125.932 122.820 0.005 0.000 2.331 474 A HA 0.368 4.688 4.320 0.000 0.000 0.283 474 A C 0.204 177.793 177.584 0.008 0.000 1.142 474 A CA -0.372 51.671 52.037 0.010 0.000 0.812 474 A CB 0.118 19.136 19.000 0.028 0.000 1.074 474 A HN 0.459 nan 8.150 nan 0.000 0.497 475 Q N 1.086 120.890 119.800 0.006 0.000 2.226 475 Q HA 0.462 4.802 4.340 0.000 0.000 0.256 475 Q C -2.504 173.498 176.000 0.005 0.000 0.962 475 Q CA -2.105 53.700 55.803 0.004 0.000 0.887 475 Q CB 0.407 29.146 28.738 0.002 0.000 1.282 475 Q HN 0.459 nan 8.270 nan 0.000 0.449 476 P HA 0.117 nan 4.420 nan 0.000 0.269 476 P C -0.432 176.866 177.300 -0.004 0.000 1.209 476 P CA -0.186 62.912 63.100 -0.003 0.000 0.776 476 P CB 0.512 32.210 31.700 -0.004 0.000 0.876 477 I N 2.419 122.983 120.570 -0.010 0.000 2.371 477 I HA 0.207 4.377 4.170 0.000 0.000 0.290 477 I C 1.025 177.132 176.117 -0.018 0.000 1.028 477 I CA 0.181 61.474 61.300 -0.012 0.000 1.345 477 I CB 0.311 38.298 38.000 -0.021 0.000 1.407 477 I HN 0.414 nan 8.210 nan 0.000 0.501 478 T N 2.003 116.549 114.554 -0.013 0.000 2.926 478 T HA 0.854 5.204 4.350 0.000 0.000 0.289 478 T C -0.061 174.621 174.700 -0.030 0.000 1.054 478 T CA -0.679 61.410 62.100 -0.017 0.000 1.015 478 T CB 2.273 71.138 68.868 -0.004 0.000 1.167 478 T HN 0.644 nan 8.240 nan 0.000 0.526 479 T N -1.569 112.963 114.554 -0.037 0.000 2.901 479 T HA 0.755 5.105 4.350 0.000 0.000 0.293 479 T C 0.061 174.746 174.700 -0.024 0.000 1.084 479 T CA -0.697 61.368 62.100 -0.058 0.000 1.008 479 T CB 1.348 70.155 68.868 -0.100 0.000 1.170 479 T HN 1.057 nan 8.240 nan 0.000 0.509 480 T N -0.899 113.642 114.554 -0.021 0.000 2.927 480 T HA 0.479 4.829 4.350 0.000 0.000 0.281 480 T C 0.814 175.556 174.700 0.069 0.000 0.998 480 T CA -0.883 61.244 62.100 0.046 0.000 1.019 480 T CB 0.897 69.800 68.868 0.058 0.000 1.061 480 T HN 0.523 nan 8.240 nan 0.000 0.518 481 F N 0.721 120.685 119.950 0.023 0.000 2.091 481 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 481 F C 1.972 177.826 175.800 0.089 0.000 1.103 481 F CA 1.508 59.559 58.000 0.085 0.000 1.228 481 F CB -0.333 38.723 39.000 0.093 0.000 0.984 481 F HN 0.425 nan 8.300 nan 0.000 0.477 482 L N 0.092 121.437 121.223 0.202 0.000 2.046 482 L HA -0.217 4.123 4.340 0.000 0.000 0.208 482 L C 2.348 179.207 176.870 -0.018 0.000 1.077 482 L CA 1.977 56.882 54.840 0.109 0.000 0.747 482 L CB -1.144 41.008 42.059 0.154 0.000 0.896 482 L HN 0.279 nan 8.230 nan 0.000 0.432 483 E N -0.361 119.814 120.200 -0.042 0.000 2.118 483 E HA -0.232 4.118 4.350 0.000 0.000 0.195 483 E C 2.280 178.755 176.600 -0.208 0.000 0.992 483 E CA 1.107 57.439 56.400 -0.113 0.000 0.804 483 E CB -0.003 29.615 29.700 -0.137 0.000 0.741 483 E HN 0.428 nan 8.360 nan 0.000 0.458 484 R N -0.492 119.813 120.500 -0.326 0.000 2.115 484 R HA -0.029 4.311 4.340 0.000 0.000 0.226 484 R C 1.619 177.492 176.300 -0.713 0.000 1.100 484 R CA 0.907 56.675 56.100 -0.554 0.000 0.980 484 R CB 0.083 29.948 30.300 -0.727 0.000 0.875 484 R HN 0.306 nan 8.270 nan 0.000 0.445 485 H N -0.790 118.078 119.070 -0.337 0.000 3.046 485 H HA 0.220 4.776 4.556 0.000 0.000 0.262 485 H C 0.439 175.663 175.328 -0.174 0.000 1.044 485 H CA -0.208 55.646 56.048 -0.324 0.000 1.209 485 H CB 0.537 29.942 29.762 -0.595 0.000 1.507 485 H HN 0.000 nan 8.280 nan 0.000 0.507 486 L N 4.443 125.645 121.223 -0.035 0.000 2.485 486 L HA 0.053 4.393 4.340 0.000 0.000 0.275 486 L C -1.638 175.223 176.870 -0.015 0.000 1.207 486 L CA -1.353 53.491 54.840 0.007 0.000 0.855 486 L CB 0.300 42.390 42.059 0.052 0.000 1.114 486 L HN -0.004 nan 8.230 nan 0.000 0.485 487 P HA 0.109 nan 4.420 nan 0.000 0.274 487 P C -0.594 176.674 177.300 -0.054 0.000 1.237 487 P CA -0.578 62.499 63.100 -0.039 0.000 0.793 487 P CB 1.011 32.684 31.700 -0.045 0.000 0.977 488 S N 0.227 115.877 115.700 -0.082 0.000 2.606 488 S HA 0.068 4.538 4.470 0.000 0.000 0.257 488 S C 1.536 176.016 174.600 -0.200 0.000 1.327 488 S CA -0.534 57.596 58.200 -0.118 0.000 0.984 488 S CB -0.401 62.725 63.200 -0.124 0.000 0.941 488 S HN 0.231 nan 8.310 nan 0.000 0.576 489 V N 2.332 122.062 119.914 -0.305 0.000 2.233 489 V HA -0.079 4.041 4.120 0.000 0.000 0.247 489 V C -0.429 175.260 176.094 -0.675 0.000 1.050 489 V CA 2.001 64.018 62.300 -0.472 0.000 1.010 489 V CB -1.899 29.619 31.823 -0.507 0.000 0.637 489 V HN 0.821 nan 8.190 nan 0.000 0.444 490 P HA -0.079 nan 4.420 nan 0.000 0.223 490 P C 1.666 178.777 177.300 -0.314 0.000 1.151 490 P CA 1.800 64.484 63.100 -0.692 0.000 0.787 490 P CB -0.238 31.169 31.700 -0.488 0.000 0.788 491 G N 0.997 109.651 108.800 -0.244 0.000 2.414 491 G HA2 -0.232 3.728 3.960 0.000 0.000 0.215 491 G HA3 -0.232 3.728 3.960 0.000 0.000 0.215 491 G C 1.456 176.282 174.900 -0.123 0.000 1.188 491 G CA 0.527 45.543 45.100 -0.139 0.000 0.783 491 G HN 0.255 nan 8.290 nan 0.000 0.537 492 L N 0.567 121.705 121.223 -0.141 0.000 2.191 492 L HA 0.111 4.451 4.340 0.000 0.000 0.212 492 L C 2.538 179.344 176.870 -0.107 0.000 1.103 492 L CA 1.239 56.015 54.840 -0.106 0.000 0.769 492 L CB -0.231 41.768 42.059 -0.099 0.000 0.908 492 L HN 0.207 nan 8.230 nan 0.000 0.438 493 L N -1.338 119.792 121.223 -0.156 0.000 2.156 493 L HA -0.111 4.229 4.340 0.000 0.000 0.208 493 L C 2.671 179.495 176.870 -0.076 0.000 1.095 493 L CA 0.781 55.548 54.840 -0.121 0.000 0.770 493 L CB -0.483 41.474 42.059 -0.171 0.000 0.914 493 L HN 0.204 nan 8.230 nan 0.000 0.439 494 R N 0.083 120.537 120.500 -0.078 0.000 2.081 494 R HA -0.120 4.220 4.340 0.000 0.000 0.235 494 R C 1.617 177.897 176.300 -0.034 0.000 1.131 494 R CA 1.065 57.138 56.100 -0.045 0.000 0.960 494 R CB -0.279 29.996 30.300 -0.042 0.000 0.856 494 R HN 0.145 nan 8.270 nan 0.000 0.436 495 L N 0.512 121.712 121.223 -0.039 0.000 2.737 495 L HA 0.060 4.400 4.340 0.000 0.000 0.246 495 L C -0.017 176.838 176.870 -0.025 0.000 1.153 495 L CA 1.046 55.869 54.840 -0.028 0.000 0.920 495 L CB -0.525 41.517 42.059 -0.029 0.000 1.090 495 L HN 0.100 nan 8.230 nan 0.000 0.430 496 I N 0.000 120.554 120.570 -0.027 0.000 2.984 496 I HA 0.000 4.170 4.170 0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494