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 1l5h_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.221 58.200 0.034 0.000 1.107 2 S CB 0.000 63.207 63.200 0.012 0.000 0.593 3 Q N 1.058 120.863 119.800 0.008 0.000 2.309 3 Q HA 0.372 4.712 4.340 -0.000 0.000 0.273 3 Q C -1.626 174.367 176.000 -0.011 0.000 1.040 3 Q CA -0.560 55.238 55.803 -0.009 0.000 0.834 3 Q CB 2.624 31.354 28.738 -0.014 0.000 1.345 3 Q HN 0.655 nan 8.270 nan 0.000 0.414 4 Q N 1.331 121.121 119.800 -0.017 0.000 2.331 4 Q HA 0.198 4.538 4.340 -0.000 0.000 0.257 4 Q C 0.944 176.933 176.000 -0.017 0.000 0.957 4 Q CA -0.228 55.566 55.803 -0.015 0.000 0.923 4 Q CB 2.122 30.849 28.738 -0.017 0.000 1.212 4 Q HN 0.484 nan 8.270 nan 0.000 0.443 5 V N 3.652 123.559 119.914 -0.013 0.000 2.546 5 V HA -0.292 3.828 4.120 -0.000 0.000 0.254 5 V C 1.531 177.617 176.094 -0.013 0.000 1.076 5 V CA 2.663 64.956 62.300 -0.012 0.000 1.087 5 V CB -0.256 31.562 31.823 -0.008 0.000 0.674 5 V HN 0.928 nan 8.190 nan 0.000 0.470 6 D N -0.611 119.781 120.400 -0.013 0.000 2.183 6 D HA -0.132 4.508 4.640 -0.000 0.000 0.203 6 D C 1.284 177.574 176.300 -0.017 0.000 0.969 6 D CA 0.735 54.727 54.000 -0.013 0.000 0.842 6 D CB -0.040 40.753 40.800 -0.011 0.000 0.957 6 D HN 0.408 nan 8.370 nan 0.000 0.484 7 K N 1.008 121.394 120.400 -0.023 0.000 2.814 7 K HA 0.263 4.583 4.320 -0.000 0.000 0.205 7 K C -0.859 175.717 176.600 -0.041 0.000 1.093 7 K CA -0.497 55.772 56.287 -0.030 0.000 1.035 7 K CB 0.372 32.853 32.500 -0.031 0.000 1.220 7 K HN 0.038 nan 8.250 nan 0.000 0.576 8 I N 2.794 123.340 120.570 -0.040 0.000 2.696 8 I HA 0.061 4.231 4.170 -0.000 0.000 0.284 8 I C 0.481 176.553 176.117 -0.075 0.000 1.129 8 I CA 0.239 61.508 61.300 -0.051 0.000 1.410 8 I CB 0.619 38.594 38.000 -0.040 0.000 1.399 8 I HN 0.150 nan 8.210 nan 0.000 0.579 9 K N 5.031 125.369 120.400 -0.104 0.000 2.270 9 K HA 0.707 5.027 4.320 -0.000 0.000 0.255 9 K C -0.571 175.923 176.600 -0.177 0.000 0.936 9 K CA -0.710 55.487 56.287 -0.150 0.000 0.809 9 K CB 2.110 34.495 32.500 -0.193 0.000 1.131 9 K HN 0.656 nan 8.250 nan 0.000 0.427 10 A N 1.103 123.828 122.820 -0.159 0.000 2.257 10 A HA 0.212 4.532 4.320 -0.000 0.000 0.290 10 A C 1.471 178.911 177.584 -0.240 0.000 1.201 10 A CA 0.131 52.081 52.037 -0.145 0.000 0.863 10 A CB 0.098 19.066 19.000 -0.053 0.000 1.256 10 A HN 0.869 nan 8.150 nan 0.000 0.506 11 S N -1.408 114.182 115.700 -0.183 0.000 2.409 11 S HA -0.240 4.229 4.470 -0.000 0.000 0.237 11 S C 0.487 175.037 174.600 -0.083 0.000 1.060 11 S CA 2.044 60.126 58.200 -0.196 0.000 1.052 11 S CB -0.589 62.743 63.200 0.221 0.000 0.871 11 S HN 1.013 nan 8.310 nan 0.000 0.465 12 Y N 3.816 124.067 120.300 -0.082 0.000 2.328 12 Y HA 0.536 5.086 4.550 -0.000 0.000 0.336 12 Y C -2.389 173.467 175.900 -0.073 0.000 0.960 12 Y CA -2.653 55.420 58.100 -0.046 0.000 1.134 12 Y CB 1.988 40.449 38.460 0.001 0.000 1.166 12 Y HN -0.041 nan 8.280 nan 0.000 0.464 13 P HA -0.028 nan 4.420 nan 0.000 0.262 13 P C 1.330 178.413 177.300 -0.363 0.000 1.304 13 P CA 0.184 62.829 63.100 -0.759 0.000 0.859 13 P CB 0.512 31.758 31.700 -0.757 0.000 1.310 14 L N 0.837 121.814 121.223 -0.410 0.000 2.011 14 L HA -0.216 4.124 4.340 -0.000 0.000 0.225 14 L C 1.726 178.297 176.870 -0.498 0.000 1.084 14 L CA 2.238 56.775 54.840 -0.505 0.000 0.791 14 L CB -1.739 39.833 42.059 -0.812 0.000 0.898 14 L HN -0.150 nan 8.230 nan 0.000 0.440 15 F N -0.729 119.051 119.950 -0.283 0.000 2.805 15 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 15 F C 1.913 177.705 175.800 -0.013 0.000 1.196 15 F CA 0.303 58.120 58.000 -0.304 0.000 1.439 15 F CB -0.798 38.034 39.000 -0.280 0.000 1.117 15 F HN 0.112 nan 8.300 nan 0.000 0.581 16 L N -1.124 120.164 121.223 0.109 0.000 2.567 16 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 16 L C 0.367 177.310 176.870 0.121 0.000 1.119 16 L CA -0.025 54.888 54.840 0.120 0.000 0.871 16 L CB -0.313 41.786 42.059 0.067 0.000 1.036 16 L HN -0.125 nan 8.230 nan 0.000 0.459 17 D N 0.515 121.005 120.400 0.150 0.000 2.443 17 D HA -0.079 4.561 4.640 -0.000 0.000 0.239 17 D C 0.973 177.368 176.300 0.158 0.000 1.136 17 D CA 0.254 54.342 54.000 0.147 0.000 0.879 17 D CB 1.257 42.170 40.800 0.188 0.000 1.195 17 D HN -0.054 nan 8.370 nan 0.000 0.443 18 Q N 2.032 121.885 119.800 0.088 0.000 2.173 18 Q HA -0.240 4.100 4.340 -0.000 0.000 0.208 18 Q C 1.078 177.108 176.000 0.050 0.000 0.989 18 Q CA 2.323 58.165 55.803 0.065 0.000 0.872 18 Q CB -0.140 28.619 28.738 0.036 0.000 0.909 18 Q HN 0.631 nan 8.270 nan 0.000 0.420 19 D N -1.652 118.757 120.400 0.015 0.000 2.144 19 D HA -0.217 4.423 4.640 -0.000 0.000 0.199 19 D C 1.323 177.554 176.300 -0.114 0.000 0.984 19 D CA 1.486 55.438 54.000 -0.080 0.000 0.834 19 D CB -0.755 39.944 40.800 -0.168 0.000 0.955 19 D HN 0.397 nan 8.370 nan 0.000 0.465 20 Y N 0.878 121.231 120.300 0.088 0.000 2.220 20 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 20 Y C 2.336 178.289 175.900 0.088 0.000 1.129 20 Y CA 0.853 59.029 58.100 0.126 0.000 1.161 20 Y CB -0.099 38.505 38.460 0.241 0.000 0.997 20 Y HN -0.121 nan 8.280 nan 0.000 0.522 21 K N 0.035 120.567 120.400 0.221 0.000 2.032 21 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 21 K C 1.489 178.140 176.600 0.085 0.000 1.048 21 K CA 1.797 58.166 56.287 0.138 0.000 0.927 21 K CB -0.262 32.303 32.500 0.107 0.000 0.712 21 K HN 0.324 nan 8.250 nan 0.000 0.441 22 D N 0.654 121.088 120.400 0.057 0.000 2.144 22 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 22 D C 1.790 178.107 176.300 0.028 0.000 0.978 22 D CA 0.837 54.855 54.000 0.030 0.000 0.833 22 D CB -0.111 40.696 40.800 0.011 0.000 0.961 22 D HN 0.165 nan 8.370 nan 0.000 0.470 23 M N 0.383 120.000 119.600 0.029 0.000 2.213 23 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 23 M C 1.762 178.097 176.300 0.058 0.000 1.062 23 M CA 1.093 56.413 55.300 0.032 0.000 1.105 23 M CB 0.004 32.610 32.600 0.009 0.000 1.385 23 M HN -0.012 nan 8.290 nan 0.000 0.417 24 L N -0.285 120.982 121.223 0.074 0.000 2.270 24 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 24 L C 2.681 179.576 176.870 0.041 0.000 1.104 24 L CA 0.648 55.525 54.840 0.062 0.000 0.804 24 L CB -0.769 41.331 42.059 0.068 0.000 0.937 24 L HN 0.307 nan 8.230 nan 0.000 0.450 25 A N 0.208 123.048 122.820 0.034 0.000 1.969 25 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 25 A C 2.330 179.909 177.584 -0.008 0.000 1.169 25 A CA 1.356 53.401 52.037 0.013 0.000 0.635 25 A CB -0.207 18.801 19.000 0.012 0.000 0.810 25 A HN 0.280 nan 8.150 nan 0.000 0.445 26 K N -0.303 120.097 120.400 0.000 0.000 2.031 26 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 26 K C 2.197 178.784 176.600 -0.021 0.000 1.049 26 K CA 1.409 57.684 56.287 -0.021 0.000 0.939 26 K CB -0.183 32.329 32.500 0.019 0.000 0.717 26 K HN 0.486 nan 8.250 nan 0.000 0.438 27 K N 1.473 121.913 120.400 0.066 0.000 2.020 27 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 27 K C 2.376 179.021 176.600 0.074 0.000 1.050 27 K CA 1.372 57.749 56.287 0.150 0.000 0.929 27 K CB -0.050 32.521 32.500 0.118 0.000 0.714 27 K HN -0.021 nan 8.250 nan 0.000 0.443 28 R N 0.850 121.362 120.500 0.021 0.000 2.082 28 R HA -0.164 4.176 4.340 -0.000 0.000 0.228 28 R C 1.623 177.884 176.300 -0.065 0.000 1.140 28 R CA 2.333 58.431 56.100 -0.005 0.000 0.920 28 R CB -0.752 29.548 30.300 0.000 0.000 0.828 28 R HN 0.282 nan 8.270 nan 0.000 0.430 29 D N -0.698 119.647 120.400 -0.091 0.000 2.158 29 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 29 D C 1.641 177.795 176.300 -0.243 0.000 0.995 29 D CA 1.774 55.694 54.000 -0.133 0.000 0.846 29 D CB -0.429 40.303 40.800 -0.113 0.000 0.941 29 D HN 0.607 nan 8.370 nan 0.000 0.456 30 G N -1.713 106.827 108.800 -0.433 0.000 2.662 30 G HA2 0.013 3.973 3.960 -0.000 0.000 0.212 30 G HA3 0.013 3.973 3.960 -0.000 0.000 0.212 30 G C 0.869 175.149 174.900 -1.033 0.000 1.141 30 G CA -0.040 44.552 45.100 -0.847 0.000 0.797 30 G HN 0.189 nan 8.290 nan 0.000 0.531 31 F N -0.226 119.713 119.950 -0.018 0.000 2.876 31 F HA 0.326 4.853 4.527 -0.000 0.000 0.344 31 F C 1.972 177.757 175.800 -0.024 0.000 1.029 31 F CA -0.527 57.460 58.000 -0.021 0.000 1.154 31 F CB 0.399 39.389 39.000 -0.017 0.000 1.040 31 F HN 0.077 nan 8.300 nan 0.000 0.576 32 E N 0.751 121.006 120.200 0.092 0.000 2.435 32 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 32 E C -0.078 176.523 176.600 0.002 0.000 1.029 32 E CA 0.327 56.758 56.400 0.052 0.000 0.865 32 E CB -0.129 29.595 29.700 0.039 0.000 0.833 32 E HN 0.335 nan 8.360 nan 0.000 0.510 33 E N 1.565 121.746 120.200 -0.031 0.000 2.228 33 E HA -0.227 4.123 4.350 -0.000 0.000 0.213 33 E C -0.251 176.283 176.600 -0.110 0.000 1.282 33 E CA 0.399 56.751 56.400 -0.079 0.000 0.707 33 E CB -0.981 28.674 29.700 -0.076 0.000 1.150 33 E HN 0.159 nan 8.360 nan 0.000 0.362 34 K N 0.566 120.925 120.400 -0.068 0.000 2.202 34 K HA 0.209 4.529 4.320 -0.000 0.000 0.264 34 K C -0.220 176.350 176.600 -0.049 0.000 1.010 34 K CA -0.359 55.914 56.287 -0.023 0.000 0.940 34 K CB 0.485 32.997 32.500 0.019 0.000 0.983 34 K HN 0.025 nan 8.250 nan 0.000 0.475 35 Y N 2.414 122.715 120.300 0.001 0.000 2.397 35 Y HA 0.112 4.662 4.550 -0.000 0.000 0.335 35 Y C -1.690 174.212 175.900 0.002 0.000 1.213 35 Y CA -1.519 56.582 58.100 0.002 0.000 1.391 35 Y CB 0.237 38.703 38.460 0.009 0.000 1.293 35 Y HN 0.567 nan 8.280 nan 0.000 0.557 36 P HA -0.087 nan 4.420 nan 0.000 0.265 36 P C 0.149 177.506 177.300 0.096 0.000 1.187 36 P CA 0.090 63.245 63.100 0.092 0.000 0.766 36 P CB 0.711 32.457 31.700 0.077 0.000 0.820 37 Q N 2.849 122.687 119.800 0.064 0.000 2.234 37 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 37 Q C 1.516 177.551 176.000 0.058 0.000 0.980 37 Q CA 1.939 57.778 55.803 0.059 0.000 0.869 37 Q CB -0.792 27.972 28.738 0.043 0.000 0.912 37 Q HN 0.550 nan 8.270 nan 0.000 0.436 38 D N -0.794 119.637 120.400 0.051 0.000 2.178 38 D HA -0.185 4.455 4.640 -0.000 0.000 0.202 38 D C 1.542 177.869 176.300 0.045 0.000 0.974 38 D CA 0.871 54.897 54.000 0.043 0.000 0.841 38 D CB 0.133 40.953 40.800 0.033 0.000 0.953 38 D HN 0.073 nan 8.370 nan 0.000 0.478 39 K N 0.968 121.401 120.400 0.056 0.000 2.031 39 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 39 K C 2.486 179.100 176.600 0.023 0.000 1.049 39 K CA 0.359 56.667 56.287 0.036 0.000 0.939 39 K CB -0.480 32.065 32.500 0.076 0.000 0.717 39 K HN 0.311 nan 8.250 nan 0.000 0.438 40 I N 1.590 122.190 120.570 0.051 0.000 2.208 40 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 40 I C 1.689 177.877 176.117 0.118 0.000 1.097 40 I CA 1.444 62.783 61.300 0.065 0.000 1.363 40 I CB -0.349 37.695 38.000 0.074 0.000 1.051 40 I HN 0.120 nan 8.210 nan 0.000 0.413 41 D N 0.464 120.929 120.400 0.108 0.000 2.144 41 D HA -0.204 4.436 4.640 -0.000 0.000 0.200 41 D C 1.972 178.360 176.300 0.147 0.000 0.978 41 D CA 1.086 55.170 54.000 0.139 0.000 0.833 41 D CB -0.237 40.611 40.800 0.080 0.000 0.961 41 D HN 0.454 nan 8.370 nan 0.000 0.470 42 E N 0.681 120.931 120.200 0.084 0.000 2.038 42 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 42 E C 2.151 178.797 176.600 0.078 0.000 1.000 42 E CA 0.890 57.322 56.400 0.053 0.000 0.803 42 E CB 0.157 29.861 29.700 0.008 0.000 0.750 42 E HN -0.033 nan 8.360 nan 0.000 0.448 43 V N 0.854 120.815 119.914 0.079 0.000 2.343 43 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 43 V C 2.089 178.274 176.094 0.151 0.000 1.051 43 V CA 1.905 64.289 62.300 0.140 0.000 1.036 43 V CB -0.649 31.224 31.823 0.083 0.000 0.654 43 V HN 0.363 nan 8.190 nan 0.000 0.451 44 F N 1.268 121.224 119.950 0.009 0.000 2.095 44 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 44 F C 2.564 178.263 175.800 -0.169 0.000 1.104 44 F CA 2.388 60.354 58.000 -0.057 0.000 1.232 44 F CB -0.431 38.583 39.000 0.022 0.000 0.987 44 F HN 0.170 nan 8.300 nan 0.000 0.475 45 Q N -0.242 119.504 119.800 -0.090 0.000 2.135 45 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 45 Q C 1.986 177.803 176.000 -0.304 0.000 0.981 45 Q CA 2.374 58.039 55.803 -0.230 0.000 0.856 45 Q CB -1.096 27.620 28.738 -0.036 0.000 0.902 45 Q HN 0.638 nan 8.270 nan 0.000 0.425 46 W N 0.716 121.808 121.300 -0.346 0.000 2.363 46 W HA -0.100 4.560 4.660 -0.000 0.000 0.296 46 W C 1.757 177.958 176.519 -0.531 0.000 1.212 46 W CA 2.495 59.651 57.345 -0.316 0.000 1.260 46 W CB -0.685 28.663 29.460 -0.186 0.000 1.131 46 W HN 0.297 nan 8.180 nan 0.000 0.530 47 T N -2.556 111.402 114.554 -0.993 0.000 3.215 47 T HA -0.042 4.308 4.350 -0.000 0.000 0.254 47 T C 1.241 175.164 174.700 -1.294 0.000 1.149 47 T CA 1.282 62.362 62.100 -1.701 0.000 1.042 47 T CB -0.844 67.194 68.868 -1.383 0.000 0.966 47 T HN 0.225 nan 8.240 nan 0.000 0.534 48 T N -1.079 112.799 114.554 -1.126 0.000 3.085 48 T HA 0.248 4.598 4.350 -0.000 0.000 0.264 48 T C 0.777 175.104 174.700 -0.622 0.000 1.019 48 T CA 0.038 61.420 62.100 -1.195 0.000 0.910 48 T CB -0.036 67.873 68.868 -1.600 0.000 1.059 48 T HN 0.543 nan 8.240 nan 0.000 0.542 49 T N -1.069 113.202 114.554 -0.472 0.000 2.897 49 T HA 0.507 4.857 4.350 -0.000 0.000 0.278 49 T C 1.077 175.682 174.700 -0.159 0.000 0.981 49 T CA -0.928 61.019 62.100 -0.255 0.000 0.973 49 T CB 1.592 70.359 68.868 -0.168 0.000 1.092 49 T HN -0.242 nan 8.240 nan 0.000 0.543 50 K N 0.517 120.861 120.400 -0.093 0.000 2.057 50 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 50 K C 2.151 178.722 176.600 -0.047 0.000 1.050 50 K CA 1.517 57.766 56.287 -0.063 0.000 0.935 50 K CB -0.511 31.965 32.500 -0.040 0.000 0.715 50 K HN 0.701 nan 8.250 nan 0.000 0.439 51 E N -0.331 119.861 120.200 -0.014 0.000 2.118 51 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 51 E C 1.881 178.474 176.600 -0.011 0.000 0.992 51 E CA 1.169 57.591 56.400 0.037 0.000 0.804 51 E CB -0.479 29.311 29.700 0.150 0.000 0.741 51 E HN 0.355 nan 8.360 nan 0.000 0.458 52 Y N 1.143 121.256 120.300 -0.312 0.000 2.314 52 Y HA -0.172 4.378 4.550 -0.000 0.000 0.293 52 Y C 2.430 178.173 175.900 -0.262 0.000 1.129 52 Y CA 1.715 59.506 58.100 -0.514 0.000 1.201 52 Y CB 0.062 37.931 38.460 -0.985 0.000 0.999 52 Y HN 0.055 nan 8.280 nan 0.000 0.541 53 Q N 0.331 120.086 119.800 -0.076 0.000 2.050 53 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 53 Q C 1.930 177.947 176.000 0.028 0.000 0.980 53 Q CA 2.141 57.938 55.803 -0.011 0.000 0.840 53 Q CB -0.115 28.591 28.738 -0.053 0.000 0.898 53 Q HN 0.614 nan 8.270 nan 0.000 0.424 54 E N 0.125 120.304 120.200 -0.035 0.000 2.058 54 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 54 E C 2.049 178.665 176.600 0.026 0.000 0.997 54 E CA 1.184 57.581 56.400 -0.006 0.000 0.801 54 E CB -0.087 29.605 29.700 -0.014 0.000 0.746 54 E HN 0.242 nan 8.360 nan 0.000 0.450 55 L N 1.600 122.792 121.223 -0.053 0.000 2.046 55 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 55 L C 2.111 178.909 176.870 -0.120 0.000 1.077 55 L CA 1.575 56.363 54.840 -0.087 0.000 0.747 55 L CB -0.866 41.106 42.059 -0.146 0.000 0.896 55 L HN 0.123 nan 8.230 nan 0.000 0.432 56 N N -0.562 118.008 118.700 -0.216 0.000 2.120 56 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 56 N C 1.675 177.226 175.510 0.068 0.000 1.024 56 N CA 1.473 54.424 53.050 -0.166 0.000 0.852 56 N CB -0.277 38.088 38.487 -0.203 0.000 1.003 56 N HN 0.251 nan 8.380 nan 0.000 0.424 57 F N 0.819 120.788 119.950 0.032 0.000 2.748 57 F HA 0.135 4.662 4.527 -0.000 0.000 0.299 57 F C 1.689 177.524 175.800 0.057 0.000 1.154 57 F CA 0.558 58.611 58.000 0.089 0.000 1.446 57 F CB -0.024 38.977 39.000 0.001 0.000 1.112 57 F HN 0.172 nan 8.300 nan 0.000 0.584 58 Q N -0.131 119.763 119.800 0.156 0.000 2.247 58 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 58 Q C 0.294 176.329 176.000 0.057 0.000 0.896 58 Q CA -0.084 55.774 55.803 0.093 0.000 0.950 58 Q CB 0.177 28.952 28.738 0.063 0.000 1.054 58 Q HN 0.259 nan 8.270 nan 0.000 0.482 59 R N 0.533 121.068 120.500 0.059 0.000 2.543 59 R HA 0.049 4.389 4.340 -0.000 0.000 0.277 59 R C 0.541 176.865 176.300 0.039 0.000 1.074 59 R CA 0.515 56.632 56.100 0.029 0.000 1.076 59 R CB 0.561 30.862 30.300 0.003 0.000 0.993 59 R HN 0.292 nan 8.270 nan 0.000 0.459 60 E N 0.762 120.975 120.200 0.022 0.000 2.489 60 E HA 0.076 4.426 4.350 -0.000 0.000 0.208 60 E C 0.910 177.521 176.600 0.018 0.000 0.814 60 E CA 0.304 56.720 56.400 0.026 0.000 1.348 60 E CB 0.686 30.400 29.700 0.024 0.000 1.334 60 E HN 0.635 nan 8.360 nan 0.000 0.672 61 A N 0.788 123.611 122.820 0.004 0.000 2.085 61 A HA 0.216 4.536 4.320 -0.000 0.000 0.208 61 A C 0.700 178.275 177.584 -0.015 0.000 1.191 61 A CA -0.065 51.970 52.037 -0.003 0.000 0.799 61 A CB 0.318 19.313 19.000 -0.009 0.000 0.877 61 A HN 0.126 nan 8.150 nan 0.000 0.473 62 L N 0.971 122.176 121.223 -0.031 0.000 2.289 62 L HA 0.577 4.917 4.340 -0.000 0.000 0.285 62 L C -0.808 176.019 176.870 -0.072 0.000 1.049 62 L CA 0.413 55.216 54.840 -0.061 0.000 0.804 62 L CB 1.539 43.544 42.059 -0.091 0.000 1.195 62 L HN 0.019 nan 8.230 nan 0.000 0.428 63 T N 4.808 119.318 114.554 -0.072 0.000 2.792 63 T HA 0.619 4.969 4.350 -0.000 0.000 0.280 63 T C -0.891 173.728 174.700 -0.135 0.000 0.990 63 T CA -0.352 61.705 62.100 -0.073 0.000 0.960 63 T CB 1.233 70.109 68.868 0.013 0.000 0.939 63 T HN 0.357 nan 8.240 nan 0.000 0.439 64 V N 4.961 124.762 119.914 -0.188 0.000 2.407 64 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 64 V C -0.185 175.818 176.094 -0.152 0.000 1.018 64 V CA -1.145 61.018 62.300 -0.228 0.000 0.842 64 V CB 1.194 32.778 31.823 -0.398 0.000 0.996 64 V HN 0.983 nan 8.190 nan 0.000 0.426 65 N N 2.986 121.597 118.700 -0.150 0.000 2.699 65 N HA -0.105 4.635 4.740 -0.000 0.000 0.257 65 N C -2.195 173.220 175.510 -0.158 0.000 1.077 65 N CA 0.424 53.390 53.050 -0.139 0.000 0.702 65 N CB -0.802 37.657 38.487 -0.046 0.000 0.886 65 N HN 0.534 nan 8.380 nan 0.000 0.549 66 P HA 0.190 nan 4.420 nan 0.000 0.271 66 P C -0.293 177.030 177.300 0.038 0.000 1.233 66 P CA -0.168 62.960 63.100 0.046 0.000 0.789 66 P CB 0.752 32.566 31.700 0.190 0.000 0.951 67 A N 1.488 124.499 122.820 0.319 0.000 2.985 67 A HA 0.370 4.690 4.320 -0.000 0.000 0.303 67 A C 0.263 178.011 177.584 0.273 0.000 1.048 67 A CA -0.284 51.892 52.037 0.231 0.000 1.016 67 A CB -0.414 18.718 19.000 0.220 0.000 1.118 67 A HN 0.599 nan 8.150 nan 0.000 0.529 68 K N -1.163 119.336 120.400 0.165 0.000 2.587 68 K HA 0.771 5.091 4.320 -0.000 0.000 0.276 68 K C -0.580 176.050 176.600 0.050 0.000 0.956 68 K CA -0.406 55.964 56.287 0.139 0.000 0.857 68 K CB 1.184 33.695 32.500 0.018 0.000 1.431 68 K HN 0.324 nan 8.250 nan 0.000 0.420 69 A N 0.814 123.681 122.820 0.078 0.000 2.580 69 A HA 0.747 5.067 4.320 -0.000 0.000 0.275 69 A C -0.179 177.459 177.584 0.090 0.000 1.321 69 A CA -0.315 51.713 52.037 -0.015 0.000 0.924 69 A CB 0.341 19.256 19.000 -0.142 0.000 1.512 69 A HN 1.093 nan 8.150 nan 0.000 0.492 70 C N -1.776 117.571 119.300 0.077 0.000 2.397 70 C HA 0.562 5.022 4.460 -0.000 0.000 0.343 70 C C 1.389 176.439 174.990 0.100 0.000 1.188 70 C CA -0.469 58.599 59.018 0.084 0.000 1.992 70 C CB 0.682 28.476 27.740 0.090 0.000 2.358 70 C HN 0.934 nan 8.230 nan 0.000 0.518 71 Q N 2.009 121.838 119.800 0.049 0.000 2.045 71 Q HA -0.208 4.132 4.340 -0.000 0.000 0.215 71 Q C -0.293 175.723 176.000 0.028 0.000 1.026 71 Q CA 2.996 58.822 55.803 0.038 0.000 0.885 71 Q CB -1.454 27.279 28.738 -0.008 0.000 0.984 71 Q HN 0.775 nan 8.270 nan 0.000 0.414 72 P HA -0.195 nan 4.420 nan 0.000 0.219 72 P C 1.464 178.512 177.300 -0.419 0.000 1.144 72 P CA 1.096 64.083 63.100 -0.187 0.000 0.806 72 P CB -0.156 31.461 31.700 -0.138 0.000 0.771 73 L N 0.136 121.172 121.223 -0.311 0.000 2.046 73 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 73 L C 2.542 179.618 176.870 0.343 0.000 1.077 73 L CA 2.359 57.138 54.840 -0.103 0.000 0.747 73 L CB -1.398 40.747 42.059 0.144 0.000 0.896 73 L HN -0.046 nan 8.230 nan 0.000 0.432 74 G N -1.254 107.781 108.800 0.392 0.000 2.402 74 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 74 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 74 G C 1.618 176.757 174.900 0.398 0.000 1.162 74 G CA 0.672 46.146 45.100 0.623 0.000 0.777 74 G HN 0.602 nan 8.290 nan 0.000 0.539 75 A N 0.468 123.389 122.820 0.169 0.000 1.873 75 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 75 A C 2.619 180.213 177.584 0.016 0.000 1.193 75 A CA 2.198 54.256 52.037 0.036 0.000 0.629 75 A CB -0.964 18.028 19.000 -0.013 0.000 0.826 75 A HN 0.304 nan 8.150 nan 0.000 0.447 76 V N -0.245 119.688 119.914 0.031 0.000 2.282 76 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 76 V C 2.525 178.628 176.094 0.014 0.000 1.057 76 V CA 2.169 64.496 62.300 0.045 0.000 1.032 76 V CB -0.897 30.985 31.823 0.099 0.000 0.645 76 V HN 0.617 nan 8.190 nan 0.000 0.447 77 L N -0.219 121.028 121.223 0.039 0.000 2.131 77 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 77 L C 2.356 179.254 176.870 0.047 0.000 1.092 77 L CA 2.217 57.000 54.840 -0.095 0.000 0.759 77 L CB -0.870 41.114 42.059 -0.126 0.000 0.903 77 L HN 0.501 nan 8.230 nan 0.000 0.435 78 C N -0.765 118.537 119.300 0.002 0.000 2.489 78 C HA 0.039 4.499 4.460 -0.000 0.000 0.279 78 C C 2.997 178.011 174.990 0.041 0.000 1.266 78 C CA 0.742 59.592 59.018 -0.281 0.000 1.707 78 C CB -1.276 25.856 27.740 -1.013 0.000 2.059 78 C HN 0.682 nan 8.230 nan 0.000 0.481 79 A N 0.371 123.209 122.820 0.030 0.000 1.892 79 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 79 A C 2.017 179.719 177.584 0.198 0.000 1.188 79 A CA 1.955 54.062 52.037 0.117 0.000 0.631 79 A CB -0.966 18.046 19.000 0.020 0.000 0.822 79 A HN 0.584 nan 8.150 nan 0.000 0.447 80 L N 0.117 121.379 121.223 0.065 0.000 2.349 80 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 80 L C 2.156 179.002 176.870 -0.039 0.000 1.130 80 L CA 1.575 56.420 54.840 0.007 0.000 0.791 80 L CB -0.882 41.117 42.059 -0.101 0.000 0.918 80 L HN 0.351 nan 8.230 nan 0.000 0.444 81 G N -2.327 106.431 108.800 -0.070 0.000 2.985 81 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 81 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 81 G C 0.094 174.720 174.900 -0.457 0.000 1.165 81 G CA -0.273 44.650 45.100 -0.295 0.000 0.776 81 G HN 0.211 nan 8.290 nan 0.000 0.541 82 F N -0.013 119.895 119.950 -0.069 0.000 2.458 82 F HA 0.380 4.907 4.527 -0.000 0.000 0.330 82 F C 0.585 176.337 175.800 -0.079 0.000 1.082 82 F CA -1.548 56.408 58.000 -0.073 0.000 0.995 82 F CB 1.402 40.355 39.000 -0.079 0.000 1.170 82 F HN -0.072 nan 8.300 nan 0.000 0.478 83 E N 2.746 122.981 120.200 0.058 0.000 2.529 83 E HA -0.061 4.289 4.350 -0.000 0.000 0.259 83 E C 0.082 176.638 176.600 -0.073 0.000 0.966 83 E CA 0.180 56.571 56.400 -0.014 0.000 0.937 83 E CB 0.244 29.923 29.700 -0.035 0.000 0.923 83 E HN 0.616 nan 8.360 nan 0.000 0.468 84 K N 1.288 121.586 120.400 -0.170 0.000 2.914 84 K HA -0.256 4.064 4.320 -0.000 0.000 0.253 84 K C 0.031 176.311 176.600 -0.533 0.000 0.986 84 K CA 1.073 57.003 56.287 -0.595 0.000 0.730 84 K CB -1.773 30.432 32.500 -0.491 0.000 1.228 84 K HN 0.674 nan 8.250 nan 0.000 0.483 85 T N -1.407 113.053 114.554 -0.156 0.000 2.928 85 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 85 T C -0.183 174.604 174.700 0.144 0.000 1.008 85 T CA -1.001 61.085 62.100 -0.024 0.000 1.057 85 T CB 1.454 70.330 68.868 0.013 0.000 1.018 85 T HN 0.186 nan 8.240 nan 0.000 0.493 86 M N 5.101 124.811 119.600 0.184 0.000 2.043 86 M HA 0.445 4.924 4.480 -0.000 0.000 0.322 86 M C -2.570 173.854 176.300 0.206 0.000 0.962 86 M CA -2.749 52.708 55.300 0.261 0.000 0.927 86 M CB 1.574 34.377 32.600 0.338 0.000 1.466 86 M HN 0.380 nan 8.290 nan 0.000 0.412 87 P HA 0.004 nan 4.420 nan 0.000 0.263 87 P C -1.779 175.649 177.300 0.214 0.000 1.195 87 P CA 0.354 63.543 63.100 0.148 0.000 0.762 87 P CB 0.019 31.783 31.700 0.108 0.000 0.799 88 Y N 4.077 124.429 120.300 0.086 0.000 2.376 88 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 88 Y C -1.213 174.757 175.900 0.117 0.000 0.965 88 Y CA -1.084 57.085 58.100 0.114 0.000 1.078 88 Y CB 1.752 40.281 38.460 0.114 0.000 1.193 88 Y HN 0.113 nan 8.280 nan 0.000 0.452 89 V N 6.016 126.034 119.914 0.172 0.000 2.407 89 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 89 V C -0.905 175.335 176.094 0.242 0.000 1.018 89 V CA -0.870 61.581 62.300 0.252 0.000 0.842 89 V CB 1.045 33.014 31.823 0.243 0.000 0.996 89 V HN 0.793 nan 8.190 nan 0.000 0.426 90 H N 3.707 122.941 119.070 0.273 0.000 3.015 90 H HA 0.624 5.180 4.556 -0.000 0.000 0.268 90 H C 0.408 175.826 175.328 0.150 0.000 1.113 90 H CA 1.327 57.523 56.048 0.248 0.000 1.479 90 H CB 0.237 30.119 29.762 0.201 0.000 1.493 90 H HN 1.007 nan 8.280 nan 0.000 0.486 91 G N 2.106 110.803 108.800 -0.173 0.000 2.368 91 G HA2 0.034 3.994 3.960 -0.000 0.000 0.269 91 G HA3 0.034 3.994 3.960 -0.000 0.000 0.269 91 G C -1.019 173.838 174.900 -0.073 0.000 1.291 91 G CA -0.464 44.560 45.100 -0.127 0.000 0.903 91 G HN 0.557 nan 8.290 nan 0.000 0.483 92 S N 0.313 115.991 115.700 -0.036 0.000 2.573 92 S HA 0.223 4.693 4.470 -0.000 0.000 0.277 92 S C 1.187 175.753 174.600 -0.056 0.000 1.346 92 S CA -0.152 58.023 58.200 -0.042 0.000 1.034 92 S CB 1.689 64.870 63.200 -0.032 0.000 0.879 92 S HN 0.610 nan 8.310 nan 0.000 0.528 93 Q N 2.013 121.770 119.800 -0.071 0.000 2.123 93 Q HA -0.059 4.281 4.340 -0.000 0.000 0.199 93 Q C 2.290 178.203 176.000 -0.145 0.000 0.966 93 Q CA 1.732 57.481 55.803 -0.089 0.000 0.845 93 Q CB -1.121 27.569 28.738 -0.079 0.000 0.907 93 Q HN 0.960 nan 8.270 nan 0.000 0.439 94 G N 0.592 109.294 108.800 -0.163 0.000 2.574 94 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 94 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 94 G C 1.751 176.453 174.900 -0.330 0.000 1.173 94 G CA 1.459 46.405 45.100 -0.258 0.000 0.772 94 G HN 0.496 nan 8.290 nan 0.000 0.585 95 C N -0.032 119.102 119.300 -0.276 0.000 2.398 95 C HA -0.055 4.405 4.460 -0.000 0.000 0.276 95 C C 3.058 177.447 174.990 -1.002 0.000 1.222 95 C CA 0.795 59.459 59.018 -0.589 0.000 1.746 95 C CB -1.267 26.230 27.740 -0.404 0.000 2.039 95 C HN 0.299 nan 8.230 nan 0.000 0.470 96 V N 1.775 121.433 119.914 -0.428 0.000 2.407 96 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 96 V C 2.809 178.839 176.094 -0.107 0.000 1.055 96 V CA 2.093 64.330 62.300 -0.106 0.000 1.049 96 V CB -1.473 30.387 31.823 0.063 0.000 0.662 96 V HN 0.612 nan 8.190 nan 0.000 0.455 97 A N -0.504 122.198 122.820 -0.197 0.000 1.873 97 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 97 A C 2.110 179.628 177.584 -0.110 0.000 1.193 97 A CA 2.256 54.184 52.037 -0.182 0.000 0.629 97 A CB -0.850 17.950 19.000 -0.333 0.000 0.826 97 A HN 0.538 nan 8.150 nan 0.000 0.447 98 Y N -1.061 119.115 120.300 -0.207 0.000 2.242 98 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 98 Y C 2.210 178.079 175.900 -0.051 0.000 1.137 98 Y CA 0.819 58.816 58.100 -0.173 0.000 1.181 98 Y CB -0.964 37.326 38.460 -0.283 0.000 0.989 98 Y HN 0.333 nan 8.280 nan 0.000 0.527 99 F N -0.043 120.039 119.950 0.219 0.000 2.075 99 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 99 F C 2.355 178.324 175.800 0.281 0.000 1.113 99 F CA 1.195 59.310 58.000 0.191 0.000 1.218 99 F CB -1.129 38.020 39.000 0.249 0.000 0.984 99 F HN -0.060 nan 8.300 nan 0.000 0.472 100 R N -0.171 120.604 120.500 0.458 0.000 2.081 100 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 100 R C 2.487 178.992 176.300 0.342 0.000 1.131 100 R CA 1.568 57.910 56.100 0.402 0.000 0.960 100 R CB -1.073 29.377 30.300 0.250 0.000 0.856 100 R HN 0.324 nan 8.270 nan 0.000 0.436 101 S N 0.243 116.098 115.700 0.258 0.000 2.382 101 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 101 S C 1.867 176.612 174.600 0.243 0.000 1.027 101 S CA 0.963 59.287 58.200 0.206 0.000 0.991 101 S CB -0.274 63.033 63.200 0.179 0.000 0.823 101 S HN 0.403 nan 8.310 nan 0.000 0.469 102 Y N 0.456 120.831 120.300 0.125 0.000 2.314 102 Y HA 0.101 4.651 4.550 -0.000 0.000 0.293 102 Y C 1.555 177.572 175.900 0.196 0.000 1.129 102 Y CA 1.234 59.392 58.100 0.098 0.000 1.201 102 Y CB -0.305 38.163 38.460 0.012 0.000 0.999 102 Y HN 0.351 nan 8.280 nan 0.000 0.541 103 F N -0.440 119.819 119.950 0.515 0.000 2.335 103 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 103 F C 2.108 178.153 175.800 0.408 0.000 1.091 103 F CA 0.652 58.965 58.000 0.522 0.000 1.399 103 F CB -0.779 38.535 39.000 0.522 0.000 1.067 103 F HN -0.009 nan 8.300 nan 0.000 0.520 104 N N 0.601 119.568 118.700 0.445 0.000 2.104 104 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 104 N C 1.975 177.586 175.510 0.169 0.000 1.024 104 N CA 1.216 54.426 53.050 0.266 0.000 0.853 104 N CB -0.379 38.210 38.487 0.170 0.000 1.008 104 N HN 0.227 nan 8.380 nan 0.000 0.424 105 R N -0.440 120.132 120.500 0.119 0.000 2.081 105 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 105 R C 2.136 178.537 176.300 0.168 0.000 1.131 105 R CA 1.291 57.399 56.100 0.013 0.000 0.960 105 R CB -0.367 29.695 30.300 -0.396 0.000 0.856 105 R HN 0.443 nan 8.270 nan 0.000 0.436 106 H N -1.130 118.031 119.070 0.151 0.000 2.403 106 H HA -0.012 4.544 4.556 -0.000 0.000 0.298 106 H C 1.023 176.120 175.328 -0.386 0.000 1.059 106 H CA 1.531 57.483 56.048 -0.160 0.000 1.363 106 H CB 0.174 29.747 29.762 -0.315 0.000 1.410 106 H HN 0.094 nan 8.280 nan 0.000 0.528 107 F N -0.021 119.882 119.950 -0.078 0.000 2.714 107 F HA 0.289 4.816 4.527 -0.000 0.000 0.294 107 F C 0.702 176.276 175.800 -0.377 0.000 1.120 107 F CA 0.218 57.954 58.000 -0.441 0.000 1.398 107 F CB 0.274 39.192 39.000 -0.137 0.000 1.120 107 F HN -0.070 nan 8.300 nan 0.000 0.589 108 R N 1.396 121.898 120.500 0.004 0.000 3.264 108 R HA -0.163 4.177 4.340 -0.000 0.000 0.251 108 R C -1.072 175.271 176.300 0.072 0.000 0.971 108 R CA 0.475 56.578 56.100 0.005 0.000 0.658 108 R CB -1.865 28.392 30.300 -0.070 0.000 1.095 108 R HN 0.212 nan 8.270 nan 0.000 0.443 109 E N -1.075 119.195 120.200 0.117 0.000 2.433 109 E HA 0.381 4.731 4.350 -0.000 0.000 0.278 109 E C -2.689 173.986 176.600 0.126 0.000 0.976 109 E CA -2.274 54.189 56.400 0.105 0.000 0.793 109 E CB 1.691 31.429 29.700 0.063 0.000 1.311 109 E HN -0.164 nan 8.360 nan 0.000 0.460 110 P HA 0.193 nan 4.420 nan 0.000 0.275 110 P C -0.750 176.623 177.300 0.123 0.000 1.227 110 P CA -0.328 62.874 63.100 0.169 0.000 0.781 110 P CB 0.616 32.513 31.700 0.328 0.000 0.906 111 V N 2.613 122.609 119.914 0.135 0.000 2.407 111 V HA 0.240 4.360 4.120 -0.000 0.000 0.291 111 V C 0.006 176.154 176.094 0.091 0.000 1.018 111 V CA -0.480 61.886 62.300 0.110 0.000 0.842 111 V CB 1.553 33.512 31.823 0.226 0.000 0.996 111 V HN 0.443 nan 8.190 nan 0.000 0.426 112 S N 3.292 119.013 115.700 0.035 0.000 2.523 112 S HA 0.573 5.043 4.470 -0.000 0.000 0.275 112 S C -0.265 174.353 174.600 0.030 0.000 1.281 112 S CA -0.367 57.828 58.200 -0.009 0.000 1.050 112 S CB 0.905 64.065 63.200 -0.066 0.000 0.937 112 S HN 0.989 nan 8.310 nan 0.000 0.492 113 C N 3.791 123.097 119.300 0.010 0.000 3.259 113 C HA 0.509 4.969 4.460 -0.000 0.000 0.431 113 C C -0.852 174.151 174.990 0.023 0.000 0.967 113 C CA -0.627 58.432 59.018 0.068 0.000 1.175 113 C CB -0.271 27.570 27.740 0.169 0.000 1.566 113 C HN 0.895 nan 8.230 nan 0.000 0.615 114 V N 3.105 123.023 119.914 0.005 0.000 3.019 114 V HA 1.001 5.121 4.120 -0.000 0.000 0.317 114 V C -0.184 175.799 176.094 -0.186 0.000 1.094 114 V CA -0.122 62.136 62.300 -0.070 0.000 1.000 114 V CB 1.781 33.575 31.823 -0.048 0.000 1.060 114 V HN 1.225 nan 8.190 nan 0.000 0.443 115 S N 0.240 115.812 115.700 -0.213 0.000 2.634 115 S HA 0.638 5.108 4.470 -0.000 0.000 0.296 115 S C -0.655 173.775 174.600 -0.283 0.000 1.104 115 S CA 0.042 58.102 58.200 -0.233 0.000 0.920 115 S CB 1.933 65.080 63.200 -0.089 0.000 1.111 115 S HN 1.149 nan 8.310 nan 0.000 0.493 116 D N 0.440 120.720 120.400 -0.200 0.000 2.670 116 D HA 0.160 4.800 4.640 -0.000 0.000 0.255 116 D C 0.186 176.474 176.300 -0.020 0.000 1.286 116 D CA -0.056 53.913 54.000 -0.051 0.000 0.830 116 D CB -0.580 40.318 40.800 0.164 0.000 1.065 116 D HN 0.540 nan 8.370 nan 0.000 0.486 117 S N -0.016 115.655 115.700 -0.048 0.000 3.818 117 S HA -0.320 4.150 4.470 -0.000 0.000 0.171 117 S C 0.294 174.879 174.600 -0.025 0.000 0.475 117 S CA 0.157 58.335 58.200 -0.038 0.000 1.379 117 S CB -1.598 61.585 63.200 -0.028 0.000 1.480 117 S HN 0.481 nan 8.310 nan 0.000 0.313 118 M N 3.243 122.817 119.600 -0.044 0.000 2.120 118 M HA 0.261 4.741 4.480 -0.000 0.000 0.354 118 M C 1.315 177.605 176.300 -0.017 0.000 1.287 118 M CA -0.132 55.151 55.300 -0.029 0.000 1.103 118 M CB 1.054 33.611 32.600 -0.073 0.000 1.623 118 M HN 0.826 nan 8.290 nan 0.000 0.471 119 T N -1.328 113.227 114.554 0.001 0.000 2.990 119 T HA 0.253 4.602 4.350 -0.000 0.000 0.296 119 T C 1.003 175.703 174.700 0.001 0.000 1.189 119 T CA -0.453 61.647 62.100 -0.000 0.000 0.938 119 T CB 0.411 69.282 68.868 0.005 0.000 1.994 119 T HN 0.650 nan 8.240 nan 0.000 0.584 120 E N 1.221 121.420 120.200 -0.002 0.000 2.110 120 E HA -0.176 4.173 4.350 -0.000 0.000 0.193 120 E C 1.872 178.457 176.600 -0.024 0.000 0.988 120 E CA 1.928 58.320 56.400 -0.015 0.000 0.804 120 E CB -0.544 29.147 29.700 -0.015 0.000 0.745 120 E HN 0.734 nan 8.360 nan 0.000 0.458 121 D N 0.097 120.504 120.400 0.012 0.000 2.144 121 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 121 D C 1.711 178.039 176.300 0.047 0.000 0.984 121 D CA 1.348 55.373 54.000 0.043 0.000 0.834 121 D CB -0.330 40.559 40.800 0.148 0.000 0.955 121 D HN 0.275 nan 8.370 nan 0.000 0.465 122 A N 0.930 123.790 122.820 0.066 0.000 2.119 122 A HA 0.277 4.596 4.320 -0.000 0.000 0.217 122 A C 2.355 179.965 177.584 0.044 0.000 1.153 122 A CA 1.183 53.275 52.037 0.091 0.000 0.692 122 A CB -0.480 18.569 19.000 0.082 0.000 0.799 122 A HN 0.374 nan 8.150 nan 0.000 0.458 123 A N -1.278 121.533 122.820 -0.015 0.000 2.168 123 A HA 0.232 4.552 4.320 -0.000 0.000 0.215 123 A C 1.857 179.391 177.584 -0.083 0.000 1.152 123 A CA 1.578 53.596 52.037 -0.031 0.000 0.716 123 A CB -0.180 18.796 19.000 -0.039 0.000 0.794 123 A HN 0.497 nan 8.150 nan 0.000 0.465 124 V N -2.590 117.206 119.914 -0.196 0.000 3.371 124 V HA 0.209 4.329 4.120 -0.000 0.000 0.246 124 V C 0.556 176.469 176.094 -0.301 0.000 1.303 124 V CA 0.452 62.551 62.300 -0.335 0.000 1.156 124 V CB 0.009 31.475 31.823 -0.596 0.000 0.929 124 V HN 0.452 nan 8.190 nan 0.000 0.459 125 F N 1.568 121.546 119.950 0.046 0.000 2.639 125 F HA 0.679 5.206 4.527 -0.000 0.000 0.300 125 F C 1.267 177.107 175.800 0.068 0.000 1.109 125 F CA -0.200 57.825 58.000 0.043 0.000 1.335 125 F CB -0.325 38.688 39.000 0.022 0.000 1.014 125 F HN 0.192 nan 8.300 nan 0.000 0.537 126 G N 0.401 109.335 108.800 0.222 0.000 2.888 126 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.441 126 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.441 126 G C 0.764 175.836 174.900 0.288 0.000 1.461 126 G CA -0.467 44.800 45.100 0.279 0.000 0.897 126 G HN 0.678 nan 8.290 nan 0.000 0.547 127 G N -0.749 108.321 108.800 0.450 0.000 3.702 127 G HA2 0.401 4.361 3.960 -0.000 0.000 0.288 127 G HA3 0.401 4.361 3.960 -0.000 0.000 0.288 127 G C 1.022 176.162 174.900 0.401 0.000 1.193 127 G CA 1.253 46.600 45.100 0.413 0.000 0.952 127 G HN 0.879 nan 8.290 nan 0.000 0.544 128 Q N 0.599 120.365 119.800 -0.056 0.000 2.030 128 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 128 Q C 2.397 178.217 176.000 -0.301 0.000 0.986 128 Q CA 2.118 57.488 55.803 -0.721 0.000 0.843 128 Q CB -0.233 27.966 28.738 -0.898 0.000 0.904 128 Q HN 0.417 nan 8.270 nan 0.000 0.420 129 Q N 0.398 120.101 119.800 -0.162 0.000 2.061 129 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 129 Q C 1.617 177.565 176.000 -0.088 0.000 0.984 129 Q CA 2.429 58.151 55.803 -0.136 0.000 0.846 129 Q CB -0.486 28.212 28.738 -0.067 0.000 0.902 129 Q HN 0.698 nan 8.270 nan 0.000 0.421 130 N N -0.779 117.937 118.700 0.027 0.000 2.137 130 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 130 N C 1.621 177.213 175.510 0.138 0.000 1.017 130 N CA 1.295 54.396 53.050 0.085 0.000 0.859 130 N CB -0.227 38.334 38.487 0.122 0.000 1.002 130 N HN 0.257 nan 8.380 nan 0.000 0.428 131 M N 1.822 121.529 119.600 0.179 0.000 2.159 131 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 131 M C 1.556 177.819 176.300 -0.061 0.000 1.063 131 M CA 1.574 56.970 55.300 0.160 0.000 1.110 131 M CB 0.061 32.743 32.600 0.136 0.000 1.374 131 M HN -0.055 nan 8.290 nan 0.000 0.411 132 K N -0.008 120.230 120.400 -0.270 0.000 1.973 132 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 132 K C 1.763 178.065 176.600 -0.497 0.000 1.045 132 K CA 1.729 57.605 56.287 -0.686 0.000 0.937 132 K CB -0.583 31.185 32.500 -1.221 0.000 0.721 132 K HN 0.375 nan 8.250 nan 0.000 0.438 133 D N 0.391 120.620 120.400 -0.286 0.000 2.104 133 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 133 D C 2.065 178.396 176.300 0.052 0.000 0.994 133 D CA 1.512 55.488 54.000 -0.039 0.000 0.830 133 D CB -0.581 40.225 40.800 0.011 0.000 0.959 133 D HN 0.392 nan 8.370 nan 0.000 0.452 134 G N 1.379 110.239 108.800 0.100 0.000 2.491 134 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 134 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 134 G C 1.839 176.933 174.900 0.324 0.000 1.180 134 G CA 0.438 45.685 45.100 0.246 0.000 0.774 134 G HN 0.242 nan 8.290 nan 0.000 0.562 135 L N -0.134 121.211 121.223 0.204 0.000 2.083 135 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 135 L C 2.992 179.922 176.870 0.100 0.000 1.083 135 L CA 1.522 56.434 54.840 0.120 0.000 0.752 135 L CB -0.389 41.659 42.059 -0.019 0.000 0.899 135 L HN 0.379 nan 8.230 nan 0.000 0.433 136 Q N 0.142 120.001 119.800 0.099 0.000 2.016 136 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 136 Q C 2.014 178.047 176.000 0.054 0.000 0.978 136 Q CA 1.534 57.394 55.803 0.095 0.000 0.833 136 Q CB 0.100 28.960 28.738 0.203 0.000 0.895 136 Q HN 0.462 nan 8.270 nan 0.000 0.427 137 N N 0.219 118.961 118.700 0.069 0.000 2.166 137 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 137 N C 1.928 177.432 175.510 -0.009 0.000 1.019 137 N CA 1.247 54.309 53.050 0.020 0.000 0.856 137 N CB -0.526 37.979 38.487 0.029 0.000 0.993 137 N HN 0.371 nan 8.380 nan 0.000 0.426 138 C N 1.522 120.885 119.300 0.104 0.000 2.450 138 C HA 0.081 4.541 4.460 -0.000 0.000 0.279 138 C C 2.526 177.611 174.990 0.158 0.000 1.335 138 C CA 0.528 59.672 59.018 0.210 0.000 1.749 138 C CB -0.673 27.308 27.740 0.402 0.000 1.963 138 C HN 0.242 nan 8.230 nan 0.000 0.501 139 K N 0.981 121.415 120.400 0.055 0.000 2.155 139 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 139 K C 2.020 178.575 176.600 -0.075 0.000 1.052 139 K CA 1.639 57.877 56.287 -0.081 0.000 0.948 139 K CB -0.368 31.959 32.500 -0.289 0.000 0.728 139 K HN 0.574 nan 8.250 nan 0.000 0.448 140 A N 0.074 122.853 122.820 -0.068 0.000 1.850 140 A HA -0.030 4.290 4.320 -0.000 0.000 0.212 140 A C 2.252 179.772 177.584 -0.107 0.000 1.208 140 A CA 1.650 53.642 52.037 -0.075 0.000 0.609 140 A CB -0.918 18.043 19.000 -0.066 0.000 0.860 140 A HN 0.331 nan 8.150 nan 0.000 0.448 141 T N -0.509 113.910 114.554 -0.225 0.000 2.652 141 T HA -0.158 4.191 4.350 -0.000 0.000 0.267 141 T C 1.396 175.849 174.700 -0.412 0.000 1.039 141 T CA 2.059 63.895 62.100 -0.440 0.000 1.153 141 T CB -0.458 67.895 68.868 -0.860 0.000 0.863 141 T HN 0.545 nan 8.240 nan 0.000 0.428 142 Y N 0.976 121.351 120.300 0.126 0.000 2.457 142 Y HA 0.356 4.906 4.550 -0.000 0.000 0.263 142 Y C 0.694 176.748 175.900 0.256 0.000 1.164 142 Y CA -0.986 57.230 58.100 0.193 0.000 1.274 142 Y CB -0.569 38.028 38.460 0.229 0.000 1.097 142 Y HN 0.143 nan 8.280 nan 0.000 0.523 143 K N 0.783 121.321 120.400 0.229 0.000 3.777 143 K HA -0.198 4.122 4.320 -0.000 0.000 0.276 143 K C -2.817 173.913 176.600 0.216 0.000 0.877 143 K CA 0.108 56.499 56.287 0.175 0.000 0.724 143 K CB -1.349 31.236 32.500 0.142 0.000 1.589 143 K HN 0.303 nan 8.250 nan 0.000 0.444 144 P HA 0.209 nan 4.420 nan 0.000 0.281 144 P C -0.382 177.058 177.300 0.233 0.000 1.281 144 P CA -0.322 62.846 63.100 0.114 0.000 0.811 144 P CB 0.902 32.758 31.700 0.259 0.000 1.154 145 D N -1.171 119.272 120.400 0.072 0.000 2.407 145 D HA 0.256 4.896 4.640 -0.000 0.000 0.208 145 D C 0.472 176.647 176.300 -0.207 0.000 1.083 145 D CA 0.701 54.759 54.000 0.097 0.000 0.844 145 D CB 0.373 41.156 40.800 -0.028 0.000 0.967 145 D HN 0.286 nan 8.370 nan 0.000 0.506 146 M N 0.394 119.875 119.600 -0.199 0.000 2.490 146 M HA 0.347 4.826 4.480 -0.000 0.000 0.286 146 M C -2.164 174.053 176.300 -0.138 0.000 1.185 146 M CA -0.448 54.597 55.300 -0.424 0.000 0.912 146 M CB 2.182 34.622 32.600 -0.267 0.000 1.744 146 M HN -0.309 nan 8.290 nan 0.000 0.494 147 I N 3.543 124.012 120.570 -0.169 0.000 2.448 147 I HA 0.513 4.683 4.170 -0.000 0.000 0.281 147 I C -0.307 175.745 176.117 -0.108 0.000 1.027 147 I CA -0.744 60.565 61.300 0.016 0.000 1.111 147 I CB 1.866 39.967 38.000 0.169 0.000 1.236 147 I HN 0.818 nan 8.210 nan 0.000 0.452 148 A N 7.014 129.790 122.820 -0.074 0.000 2.302 148 A HA 0.642 4.962 4.320 -0.000 0.000 0.295 148 A C -0.252 177.325 177.584 -0.011 0.000 1.235 148 A CA -0.305 51.656 52.037 -0.127 0.000 0.876 148 A CB 0.459 19.366 19.000 -0.154 0.000 1.133 148 A HN 0.458 nan 8.150 nan 0.000 0.533 149 V N 3.135 123.028 119.914 -0.035 0.000 2.532 149 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 149 V C 0.542 176.667 176.094 0.052 0.000 1.041 149 V CA 0.169 62.498 62.300 0.048 0.000 0.926 149 V CB 1.358 33.138 31.823 -0.072 0.000 0.992 149 V HN 1.152 nan 8.190 nan 0.000 0.457 150 S N 2.098 117.867 115.700 0.115 0.000 2.806 150 S HA 0.888 5.358 4.470 -0.000 0.000 0.306 150 S C -0.432 174.242 174.600 0.124 0.000 1.167 150 S CA -0.409 57.829 58.200 0.063 0.000 0.847 150 S CB 2.228 65.450 63.200 0.036 0.000 1.216 150 S HN 0.986 nan 8.310 nan 0.000 0.532 151 T N -1.101 113.510 114.554 0.096 0.000 2.912 151 T HA 0.710 5.060 4.350 -0.000 0.000 0.299 151 T C 0.016 174.796 174.700 0.133 0.000 1.052 151 T CA -0.321 61.867 62.100 0.148 0.000 0.996 151 T CB 1.146 70.094 68.868 0.133 0.000 1.070 151 T HN 1.102 nan 8.240 nan 0.000 0.465 152 T N -0.942 113.701 114.554 0.149 0.000 2.816 152 T HA 0.251 4.601 4.350 -0.000 0.000 0.282 152 T C 2.039 176.798 174.700 0.097 0.000 0.993 152 T CA -0.188 62.001 62.100 0.149 0.000 0.994 152 T CB 0.208 69.158 68.868 0.136 0.000 1.025 152 T HN 1.246 nan 8.240 nan 0.000 0.529 153 C N 0.956 120.309 119.300 0.088 0.000 2.432 153 C HA 0.042 4.502 4.460 -0.000 0.000 0.282 153 C C 2.561 177.647 174.990 0.159 0.000 1.388 153 C CA 0.471 59.548 59.018 0.097 0.000 1.777 153 C CB -1.873 25.952 27.740 0.142 0.000 1.882 153 C HN 0.883 nan 8.230 nan 0.000 0.520 154 M N 2.007 121.674 119.600 0.112 0.000 2.099 154 M HA -0.023 4.457 4.480 -0.000 0.000 0.262 154 M C 2.553 178.914 176.300 0.101 0.000 1.067 154 M CA 2.147 57.503 55.300 0.094 0.000 1.124 154 M CB -0.415 32.213 32.600 0.048 0.000 1.353 154 M HN 0.473 nan 8.290 nan 0.000 0.410 155 A N 0.176 123.051 122.820 0.092 0.000 1.972 155 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 155 A C 1.848 179.532 177.584 0.167 0.000 1.169 155 A CA 1.526 53.640 52.037 0.128 0.000 0.635 155 A CB -0.606 18.495 19.000 0.170 0.000 0.810 155 A HN 0.568 nan 8.150 nan 0.000 0.446 156 E N -0.177 120.130 120.200 0.178 0.000 2.152 156 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 156 E C 2.159 178.907 176.600 0.246 0.000 0.983 156 E CA 1.110 57.637 56.400 0.212 0.000 0.818 156 E CB -0.340 29.457 29.700 0.161 0.000 0.758 156 E HN 0.429 nan 8.360 nan 0.000 0.467 157 V N 2.211 122.268 119.914 0.238 0.000 2.323 157 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 157 V C 2.471 178.628 176.094 0.104 0.000 1.041 157 V CA 1.615 64.018 62.300 0.171 0.000 1.025 157 V CB -0.617 31.289 31.823 0.138 0.000 0.656 157 V HN 0.325 nan 8.190 nan 0.000 0.451 158 I N -0.505 120.125 120.570 0.101 0.000 3.111 158 I HA 0.323 4.493 4.170 -0.000 0.000 0.272 158 I C 1.268 177.439 176.117 0.089 0.000 1.268 158 I CA 0.821 62.171 61.300 0.083 0.000 1.467 158 I CB -0.928 37.124 38.000 0.087 0.000 1.087 158 I HN 0.380 nan 8.210 nan 0.000 0.467 159 G N 2.855 111.713 108.800 0.097 0.000 2.415 159 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.283 159 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.283 159 G C -0.813 174.110 174.900 0.038 0.000 1.014 159 G CA 0.074 45.216 45.100 0.070 0.000 1.323 159 G HN 0.554 nan 8.290 nan 0.000 0.502 160 D N 0.433 120.836 120.400 0.004 0.000 2.210 160 D HA 0.386 5.026 4.640 -0.000 0.000 0.249 160 D C 0.273 176.291 176.300 -0.471 0.000 1.078 160 D CA -0.252 53.592 54.000 -0.261 0.000 0.875 160 D CB 1.509 42.129 40.800 -0.299 0.000 1.175 160 D HN 0.361 nan 8.370 nan 0.000 0.440 161 D N 1.940 121.937 120.400 -0.673 0.000 2.352 161 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 161 D C 1.195 177.069 176.300 -0.710 0.000 1.224 161 D CA -0.221 53.520 54.000 -0.431 0.000 0.879 161 D CB 0.491 41.197 40.800 -0.155 0.000 1.057 161 D HN 0.251 nan 8.370 nan 0.000 0.491 162 L N 3.393 124.283 121.223 -0.554 0.000 2.083 162 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 162 L C 2.023 178.392 176.870 -0.834 0.000 1.083 162 L CA 0.768 55.163 54.840 -0.742 0.000 0.752 162 L CB -0.434 41.163 42.059 -0.771 0.000 0.899 162 L HN 0.498 nan 8.230 nan 0.000 0.433 163 N N 0.195 118.383 118.700 -0.854 0.000 2.039 163 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 163 N C 1.824 177.168 175.510 -0.276 0.000 1.044 163 N CA 1.729 54.366 53.050 -0.688 0.000 0.847 163 N CB -0.110 38.178 38.487 -0.332 0.000 1.030 163 N HN 0.253 nan 8.380 nan 0.000 0.422 164 A N 0.043 122.793 122.820 -0.116 0.000 1.851 164 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 164 A C 2.056 179.709 177.584 0.115 0.000 1.195 164 A CA 1.506 53.566 52.037 0.038 0.000 0.622 164 A CB -1.365 17.715 19.000 0.132 0.000 0.831 164 A HN 0.365 nan 8.150 nan 0.000 0.444 165 F N 0.088 119.933 119.950 -0.176 0.000 2.085 165 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 165 F C 2.233 177.920 175.800 -0.190 0.000 1.096 165 F CA 1.359 59.252 58.000 -0.179 0.000 1.227 165 F CB -0.958 37.896 39.000 -0.243 0.000 0.983 165 F HN 0.145 nan 8.300 nan 0.000 0.482 166 I N -0.435 120.114 120.570 -0.035 0.000 2.493 166 I HA -0.279 3.891 4.170 -0.000 0.000 0.254 166 I C 1.983 178.078 176.117 -0.038 0.000 1.160 166 I CA 0.931 62.175 61.300 -0.092 0.000 1.445 166 I CB -0.429 37.459 38.000 -0.187 0.000 1.086 166 I HN 0.168 nan 8.210 nan 0.000 0.433 167 N N 0.960 119.641 118.700 -0.031 0.000 2.207 167 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 167 N C 1.381 176.901 175.510 0.016 0.000 1.020 167 N CA 1.098 54.146 53.050 -0.004 0.000 0.858 167 N CB -0.523 37.958 38.487 -0.011 0.000 0.991 167 N HN 0.464 nan 8.380 nan 0.000 0.427 168 N N 0.399 119.103 118.700 0.007 0.000 2.443 168 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 168 N C 1.236 176.778 175.510 0.053 0.000 1.037 168 N CA 0.501 53.558 53.050 0.011 0.000 0.896 168 N CB 0.095 38.557 38.487 -0.040 0.000 0.959 168 N HN 0.104 nan 8.380 nan 0.000 0.442 169 S N 0.687 116.411 115.700 0.039 0.000 2.406 169 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 169 S C 1.635 176.351 174.600 0.193 0.000 1.030 169 S CA 0.636 58.898 58.200 0.104 0.000 0.958 169 S CB 0.169 63.360 63.200 -0.014 0.000 0.811 169 S HN 0.278 nan 8.310 nan 0.000 0.489 170 K N 1.393 121.858 120.400 0.108 0.000 2.228 170 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 170 K C 2.123 178.768 176.600 0.075 0.000 1.051 170 K CA 0.602 56.945 56.287 0.094 0.000 0.960 170 K CB -0.025 32.518 32.500 0.072 0.000 0.743 170 K HN 0.223 nan 8.250 nan 0.000 0.458 171 K N 2.038 122.481 120.400 0.072 0.000 1.965 171 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 171 K C 1.411 178.038 176.600 0.045 0.000 1.046 171 K CA 1.650 57.966 56.287 0.049 0.000 0.944 171 K CB 0.020 32.545 32.500 0.042 0.000 0.726 171 K HN 0.058 nan 8.250 nan 0.000 0.441 172 E N -0.392 119.863 120.200 0.091 0.000 2.515 172 E HA -0.037 4.313 4.350 -0.000 0.000 0.201 172 E C 0.445 176.972 176.600 -0.121 0.000 1.071 172 E CA 0.441 56.853 56.400 0.021 0.000 0.880 172 E CB -0.126 29.662 29.700 0.147 0.000 0.828 172 E HN 0.705 nan 8.360 nan 0.000 0.540 173 G N 0.850 109.635 108.800 -0.025 0.000 2.225 173 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 173 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 173 G C 0.293 175.117 174.900 -0.128 0.000 1.060 173 G CA 0.094 45.151 45.100 -0.071 0.000 0.833 173 G HN 0.301 nan 8.290 nan 0.000 0.498 174 F N -0.140 119.796 119.950 -0.023 0.000 2.367 174 F HA 0.302 4.829 4.527 -0.000 0.000 0.298 174 F C 1.686 177.460 175.800 -0.044 0.000 1.094 174 F CA 1.299 59.282 58.000 -0.028 0.000 1.409 174 F CB 0.241 39.229 39.000 -0.021 0.000 1.064 174 F HN 0.435 nan 8.300 nan 0.000 0.528 175 I N -3.231 117.419 120.570 0.133 0.000 2.827 175 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 175 I C -3.036 173.106 176.117 0.042 0.000 1.235 175 I CA -2.877 58.438 61.300 0.025 0.000 1.021 175 I CB 1.092 39.090 38.000 -0.003 0.000 1.259 175 I HN -0.292 nan 8.210 nan 0.000 0.427 176 P HA -0.029 nan 4.420 nan 0.000 0.272 176 P C 0.179 177.549 177.300 0.117 0.000 1.210 176 P CA 0.568 63.708 63.100 0.065 0.000 0.789 176 P CB 0.679 32.429 31.700 0.083 0.000 0.849 177 D N 0.507 120.964 120.400 0.094 0.000 2.162 177 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 177 D C 1.325 177.689 176.300 0.107 0.000 0.964 177 D CA 0.892 54.944 54.000 0.087 0.000 0.847 177 D CB -0.022 40.809 40.800 0.051 0.000 0.988 177 D HN 0.368 nan 8.370 nan 0.000 0.480 178 E N 0.020 120.290 120.200 0.116 0.000 2.502 178 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 178 E C 0.077 176.771 176.600 0.156 0.000 1.062 178 E CA -0.301 56.167 56.400 0.113 0.000 0.867 178 E CB -1.075 28.679 29.700 0.091 0.000 0.888 178 E HN 0.331 nan 8.360 nan 0.000 0.510 179 F N 3.916 123.898 119.950 0.054 0.000 2.519 179 F HA 0.211 4.738 4.527 -0.000 0.000 0.375 179 F C -2.052 173.769 175.800 0.035 0.000 1.084 179 F CA -2.797 55.228 58.000 0.042 0.000 1.147 179 F CB 0.436 39.453 39.000 0.027 0.000 1.088 179 F HN -0.221 nan 8.300 nan 0.000 0.555 180 P HA -0.013 nan 4.420 nan 0.000 0.260 180 P C -0.795 176.050 177.300 -0.758 0.000 1.185 180 P CA 0.410 63.124 63.100 -0.643 0.000 0.763 180 P CB 0.396 31.737 31.700 -0.598 0.000 0.776 181 V N 6.110 125.624 119.914 -0.666 0.000 2.502 181 V HA 0.187 4.307 4.120 -0.000 0.000 0.261 181 V C -1.986 173.860 176.094 -0.413 0.000 0.996 181 V CA -1.463 60.600 62.300 -0.394 0.000 1.095 181 V CB 0.882 32.663 31.823 -0.070 0.000 1.325 181 V HN 0.503 nan 8.190 nan 0.000 0.574 182 P HA 0.338 nan 4.420 nan 0.000 0.272 182 P C -0.775 176.442 177.300 -0.138 0.000 1.230 182 P CA 0.259 63.050 63.100 -0.515 0.000 0.788 182 P CB 1.193 32.419 31.700 -0.791 0.000 0.949 183 F N -1.429 118.381 119.950 -0.234 0.000 2.726 183 F HA 0.891 5.418 4.527 -0.000 0.000 0.324 183 F C -1.722 173.956 175.800 -0.203 0.000 1.140 183 F CA -1.713 56.154 58.000 -0.222 0.000 0.964 183 F CB 0.894 39.759 39.000 -0.225 0.000 1.399 183 F HN 0.575 nan 8.300 nan 0.000 0.491 184 A N 0.232 122.951 122.820 -0.169 0.000 2.573 184 A HA 0.467 4.787 4.320 -0.000 0.000 0.299 184 A C -2.148 175.372 177.584 -0.107 0.000 1.060 184 A CA -0.702 51.207 52.037 -0.213 0.000 0.736 184 A CB 0.564 19.439 19.000 -0.208 0.000 1.280 184 A HN 0.951 nan 8.150 nan 0.000 0.401 185 H N 2.191 121.278 119.070 0.029 0.000 2.668 185 H HA 0.376 4.932 4.556 -0.000 0.000 0.303 185 H C 0.103 175.424 175.328 -0.011 0.000 1.074 185 H CA 1.153 57.221 56.048 0.034 0.000 1.406 185 H CB 1.093 30.877 29.762 0.037 0.000 1.442 185 H HN 0.673 nan 8.280 nan 0.000 0.482 186 T N 1.632 116.219 114.554 0.054 0.000 3.378 186 T HA 0.253 4.603 4.350 -0.000 0.000 0.359 186 T C -2.797 171.864 174.700 -0.065 0.000 1.815 186 T CA -2.195 59.908 62.100 0.004 0.000 1.509 186 T CB 0.397 69.266 68.868 0.002 0.000 1.049 186 T HN 0.202 nan 8.240 nan 0.000 0.705 187 P HA 0.071 nan 4.420 nan 0.000 0.260 187 P C 1.227 178.242 177.300 -0.475 0.000 1.207 187 P CA 0.033 62.852 63.100 -0.468 0.000 0.780 187 P CB 0.634 32.071 31.700 -0.440 0.000 0.789 188 S N 3.398 118.815 115.700 -0.471 0.000 2.423 188 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 188 S C 1.163 175.670 174.600 -0.155 0.000 1.014 188 S CA 0.735 58.811 58.200 -0.207 0.000 0.965 188 S CB -1.144 62.023 63.200 -0.055 0.000 0.785 188 S HN 0.416 nan 8.310 nan 0.000 0.495 189 F N 1.269 121.246 119.950 0.044 0.000 2.676 189 F HA 0.714 5.241 4.527 -0.000 0.000 0.300 189 F C -0.228 175.584 175.800 0.020 0.000 1.160 189 F CA -1.370 56.645 58.000 0.026 0.000 1.401 189 F CB -0.755 38.260 39.000 0.024 0.000 1.037 189 F HN -0.068 nan 8.300 nan 0.000 0.522 190 V N 0.210 120.151 119.914 0.044 0.000 2.733 190 V HA 0.762 4.882 4.120 -0.000 0.000 0.306 190 V C 0.641 176.739 176.094 0.008 0.000 1.084 190 V CA -0.666 61.674 62.300 0.066 0.000 0.905 190 V CB 0.880 32.738 31.823 0.057 0.000 1.010 190 V HN 0.649 nan 8.190 nan 0.000 0.424 191 G N 4.640 113.447 108.800 0.011 0.000 2.596 191 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.295 191 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.295 191 G C 0.161 175.025 174.900 -0.060 0.000 1.240 191 G CA 0.802 45.888 45.100 -0.024 0.000 0.985 191 G HN 2.024 nan 8.290 nan 0.000 0.555 192 S N -2.558 113.087 115.700 -0.092 0.000 2.790 192 S HA 0.612 5.082 4.470 -0.000 0.000 0.292 192 S C 1.035 175.554 174.600 -0.136 0.000 1.197 192 S CA 0.631 58.768 58.200 -0.105 0.000 0.851 192 S CB 0.896 63.988 63.200 -0.180 0.000 1.217 192 S HN 1.828 nan 8.310 nan 0.000 0.526 193 H N 0.789 119.789 119.070 -0.115 0.000 2.460 193 H HA -0.098 4.458 4.556 -0.000 0.000 0.297 193 H C 2.011 177.273 175.328 -0.111 0.000 1.103 193 H CA 2.162 58.149 56.048 -0.101 0.000 1.292 193 H CB -1.336 28.331 29.762 -0.158 0.000 1.376 193 H HN 0.581 nan 8.280 nan 0.000 0.531 194 V N -0.497 118.972 119.914 -0.741 0.000 2.453 194 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 194 V C 2.328 178.436 176.094 0.024 0.000 1.048 194 V CA 1.707 63.726 62.300 -0.467 0.000 1.049 194 V CB -1.153 30.149 31.823 -0.868 0.000 0.672 194 V HN 0.345 nan 8.190 nan 0.000 0.457 195 T N 1.367 115.907 114.554 -0.023 0.000 2.788 195 T HA -0.014 4.336 4.350 -0.000 0.000 0.268 195 T C 1.972 176.757 174.700 0.141 0.000 1.044 195 T CA 1.713 63.864 62.100 0.085 0.000 1.139 195 T CB -0.850 68.034 68.868 0.026 0.000 0.867 195 T HN 0.697 nan 8.240 nan 0.000 0.454 196 G N -0.045 108.830 108.800 0.124 0.000 2.446 196 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 196 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 196 G C 1.341 176.383 174.900 0.236 0.000 1.168 196 G CA 0.633 45.820 45.100 0.144 0.000 0.771 196 G HN 0.586 nan 8.290 nan 0.000 0.551 197 W N 1.208 122.618 121.300 0.184 0.000 2.363 197 W HA -0.074 4.586 4.660 -0.000 0.000 0.296 197 W C 2.200 178.855 176.519 0.227 0.000 1.212 197 W CA 1.516 59.011 57.345 0.250 0.000 1.260 197 W CB 0.003 29.680 29.460 0.362 0.000 1.131 197 W HN 0.296 nan 8.180 nan 0.000 0.530 198 D N -0.074 120.661 120.400 0.558 0.000 2.087 198 D HA -0.254 4.386 4.640 -0.000 0.000 0.192 198 D C 1.830 178.249 176.300 0.197 0.000 0.993 198 D CA 1.957 56.201 54.000 0.406 0.000 0.828 198 D CB -0.554 40.425 40.800 0.298 0.000 0.968 198 D HN 0.003 nan 8.370 nan 0.000 0.448 199 N N -0.332 118.435 118.700 0.111 0.000 2.166 199 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 199 N C 1.705 177.168 175.510 -0.078 0.000 1.019 199 N CA 0.812 53.865 53.050 0.006 0.000 0.856 199 N CB -0.373 38.118 38.487 0.007 0.000 0.993 199 N HN 0.301 nan 8.380 nan 0.000 0.426 200 M N -0.187 119.370 119.600 -0.071 0.000 2.156 200 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 200 M C 1.786 177.934 176.300 -0.253 0.000 1.067 200 M CA 1.086 56.280 55.300 -0.176 0.000 1.131 200 M CB -0.530 31.967 32.600 -0.171 0.000 1.368 200 M HN 0.072 nan 8.290 nan 0.000 0.416 201 F N 0.639 120.357 119.950 -0.387 0.000 2.134 201 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 201 F C 2.333 177.989 175.800 -0.240 0.000 1.097 201 F CA 2.066 59.842 58.000 -0.373 0.000 1.264 201 F CB -0.492 38.234 39.000 -0.456 0.000 1.001 201 F HN 0.276 nan 8.300 nan 0.000 0.479 202 E N 0.392 120.496 120.200 -0.160 0.000 2.077 202 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 202 E C 2.414 178.687 176.600 -0.545 0.000 0.989 202 E CA 1.289 57.484 56.400 -0.341 0.000 0.800 202 E CB -0.835 28.747 29.700 -0.197 0.000 0.746 202 E HN 0.492 nan 8.360 nan 0.000 0.452 203 G N 0.987 109.515 108.800 -0.453 0.000 2.470 203 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 203 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 203 G C 1.651 176.252 174.900 -0.499 0.000 1.121 203 G CA 0.632 45.419 45.100 -0.521 0.000 0.766 203 G HN 0.283 nan 8.290 nan 0.000 0.553 204 I N 0.513 120.772 120.570 -0.518 0.000 2.703 204 I HA 0.074 4.244 4.170 -0.000 0.000 0.259 204 I C 3.085 179.020 176.117 -0.304 0.000 1.151 204 I CA 0.586 61.596 61.300 -0.483 0.000 1.470 204 I CB -0.013 37.567 38.000 -0.700 0.000 1.112 204 I HN 0.199 nan 8.210 nan 0.000 0.437 205 A N 1.432 123.978 122.820 -0.457 0.000 1.898 205 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 205 A C 2.407 179.986 177.584 -0.007 0.000 1.181 205 A CA 1.170 53.096 52.037 -0.183 0.000 0.620 205 A CB -0.405 18.388 19.000 -0.346 0.000 0.819 205 A HN 0.276 nan 8.150 nan 0.000 0.442 206 R N -2.032 118.222 120.500 -0.409 0.000 2.062 206 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 206 R C 2.152 178.429 176.300 -0.037 0.000 1.136 206 R CA 1.614 57.549 56.100 -0.276 0.000 0.948 206 R CB -0.790 29.187 30.300 -0.538 0.000 0.845 206 R HN 0.620 nan 8.270 nan 0.000 0.430 207 Y N 0.747 120.881 120.300 -0.276 0.000 2.139 207 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 207 Y C 1.645 177.351 175.900 -0.324 0.000 1.179 207 Y CA 1.637 59.532 58.100 -0.342 0.000 1.161 207 Y CB -0.198 37.938 38.460 -0.541 0.000 0.970 207 Y HN -0.072 nan 8.280 nan 0.000 0.511 208 F N -2.014 118.032 119.950 0.160 0.000 2.754 208 F HA 0.065 4.592 4.527 -0.000 0.000 0.297 208 F C 1.999 177.850 175.800 0.085 0.000 1.122 208 F CA 1.080 59.147 58.000 0.111 0.000 1.400 208 F CB 0.012 39.055 39.000 0.073 0.000 1.117 208 F HN -0.088 nan 8.300 nan 0.000 0.587 209 T N -1.058 113.685 114.554 0.314 0.000 3.125 209 T HA 0.052 4.402 4.350 -0.000 0.000 0.252 209 T C 1.721 176.580 174.700 0.264 0.000 0.981 209 T CA 0.060 62.344 62.100 0.308 0.000 1.069 209 T CB -0.441 68.769 68.868 0.569 0.000 1.091 209 T HN -0.030 nan 8.240 nan 0.000 0.460 210 L N 2.805 124.226 121.223 0.330 0.000 2.056 210 L HA -0.193 4.147 4.340 -0.000 0.000 0.237 210 L C 1.128 178.065 176.870 0.111 0.000 1.106 210 L CA 1.962 56.953 54.840 0.253 0.000 0.829 210 L CB -0.504 41.661 42.059 0.177 0.000 0.924 210 L HN 0.320 nan 8.230 nan 0.000 0.447 211 K N -0.524 119.902 120.400 0.043 0.000 2.333 211 K HA 0.379 4.699 4.320 -0.000 0.000 0.241 211 K C -0.241 176.362 176.600 0.005 0.000 1.193 211 K CA 0.685 56.977 56.287 0.009 0.000 1.142 211 K CB -0.101 32.382 32.500 -0.028 0.000 1.731 211 K HN 0.388 nan 8.250 nan 0.000 0.344 212 S N 0.960 116.670 115.700 0.017 0.000 4.526 212 S HA 0.023 4.493 4.470 -0.000 0.000 0.056 212 S C 0.558 175.155 174.600 -0.004 0.000 0.859 212 S CA -0.617 57.586 58.200 0.005 0.000 0.900 212 S CB -0.642 62.564 63.200 0.009 0.000 0.563 212 S HN 0.354 nan 8.310 nan 0.000 0.784 213 M N 1.624 121.225 119.600 0.001 0.000 2.562 213 M HA 0.156 4.636 4.480 -0.000 0.000 0.257 213 M C 0.531 176.815 176.300 -0.025 0.000 1.099 213 M CA 0.937 56.227 55.300 -0.017 0.000 1.099 213 M CB -1.368 31.233 32.600 0.000 0.000 1.427 213 M HN 0.351 nan 8.290 nan 0.000 0.489 214 D N -0.110 120.280 120.400 -0.017 0.000 2.347 214 D HA -0.123 4.517 4.640 -0.000 0.000 0.215 214 D C 1.319 177.607 176.300 -0.021 0.000 0.976 214 D CA 0.690 54.680 54.000 -0.017 0.000 0.884 214 D CB 0.067 40.860 40.800 -0.011 0.000 0.915 214 D HN 0.329 nan 8.370 nan 0.000 0.526 215 D N -0.315 120.069 120.400 -0.026 0.000 2.360 215 D HA -0.034 4.606 4.640 -0.000 0.000 0.210 215 D C -0.081 176.196 176.300 -0.039 0.000 1.047 215 D CA 0.223 54.206 54.000 -0.028 0.000 0.854 215 D CB 0.284 41.069 40.800 -0.026 0.000 0.936 215 D HN -0.192 nan 8.370 nan 0.000 0.514 216 K N 0.151 120.520 120.400 -0.052 0.000 2.118 216 K HA 0.463 4.783 4.320 -0.000 0.000 0.267 216 K C -0.603 175.970 176.600 -0.045 0.000 0.991 216 K CA -0.826 55.419 56.287 -0.069 0.000 0.916 216 K CB 2.131 34.558 32.500 -0.122 0.000 1.041 216 K HN -0.173 nan 8.250 nan 0.000 0.455 217 V N 1.618 121.511 119.914 -0.036 0.000 2.569 217 V HA 0.103 4.223 4.120 -0.000 0.000 0.301 217 V C -0.162 175.938 176.094 0.011 0.000 1.044 217 V CA -1.183 61.111 62.300 -0.011 0.000 0.874 217 V CB 1.984 33.800 31.823 -0.012 0.000 1.002 217 V HN 0.445 nan 8.190 nan 0.000 0.424 218 V N 5.261 125.203 119.914 0.046 0.000 2.459 218 V HA 0.396 4.516 4.120 -0.000 0.000 0.255 218 V C 1.409 177.522 176.094 0.031 0.000 1.015 218 V CA 1.955 64.309 62.300 0.091 0.000 1.163 218 V CB -0.441 31.464 31.823 0.137 0.000 1.109 218 V HN 1.321 nan 8.190 nan 0.000 0.473 219 G N 3.141 111.946 108.800 0.008 0.000 2.624 219 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.190 219 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.190 219 G C 1.097 175.986 174.900 -0.017 0.000 1.008 219 G CA 0.549 45.641 45.100 -0.014 0.000 0.731 219 G HN 0.670 nan 8.290 nan 0.000 0.478 220 S N 1.931 117.622 115.700 -0.016 0.000 2.414 220 S HA -0.339 4.131 4.470 -0.000 0.000 0.238 220 S C 2.226 176.809 174.600 -0.027 0.000 1.055 220 S CA 3.059 61.245 58.200 -0.023 0.000 1.174 220 S CB -0.400 62.782 63.200 -0.029 0.000 1.087 220 S HN 1.129 nan 8.310 nan 0.000 0.428 221 N N 0.378 119.059 118.700 -0.032 0.000 2.521 221 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 221 N C 0.211 175.702 175.510 -0.031 0.000 1.146 221 N CA 0.673 53.703 53.050 -0.035 0.000 0.893 221 N CB -0.626 37.837 38.487 -0.041 0.000 0.975 221 N HN 0.611 nan 8.380 nan 0.000 0.451 222 K N -1.154 119.229 120.400 -0.028 0.000 3.069 222 K HA -0.229 4.091 4.320 -0.000 0.000 0.267 222 K C -0.659 175.928 176.600 -0.021 0.000 1.082 222 K CA 0.856 57.128 56.287 -0.025 0.000 0.782 222 K CB -1.223 31.264 32.500 -0.023 0.000 1.230 222 K HN 0.479 nan 8.250 nan 0.000 0.488 223 K N -0.193 120.197 120.400 -0.017 0.000 2.316 223 K HA 0.638 4.958 4.320 -0.000 0.000 0.234 223 K C -0.454 176.159 176.600 0.020 0.000 1.054 223 K CA -1.099 55.191 56.287 0.005 0.000 0.879 223 K CB 1.039 33.540 32.500 0.002 0.000 1.252 223 K HN -0.114 nan 8.250 nan 0.000 0.471 224 I N 1.614 122.228 120.570 0.074 0.000 2.447 224 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 224 I C -0.702 175.504 176.117 0.148 0.000 1.023 224 I CA -0.664 60.681 61.300 0.075 0.000 1.083 224 I CB 1.442 39.478 38.000 0.061 0.000 1.245 224 I HN 0.356 nan 8.210 nan 0.000 0.434 225 N N 6.640 125.436 118.700 0.159 0.000 2.513 225 N HA 0.339 5.079 4.740 -0.000 0.000 0.268 225 N C -0.708 174.933 175.510 0.218 0.000 1.180 225 N CA -0.042 53.152 53.050 0.241 0.000 0.948 225 N CB 1.287 39.994 38.487 0.366 0.000 1.083 225 N HN 0.323 nan 8.380 nan 0.000 0.455 226 I N 2.406 123.106 120.570 0.215 0.000 2.389 226 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 226 I C -0.255 175.940 176.117 0.130 0.000 0.999 226 I CA -0.738 60.655 61.300 0.155 0.000 1.129 226 I CB 1.356 39.424 38.000 0.114 0.000 1.288 226 I HN 0.013 nan 8.210 nan 0.000 0.444 227 V N 9.185 129.133 119.914 0.057 0.000 2.313 227 V HA 0.252 4.372 4.120 -0.000 0.000 0.278 227 V C -1.231 174.792 176.094 -0.118 0.000 1.017 227 V CA -1.060 61.208 62.300 -0.054 0.000 0.823 227 V CB 1.615 33.328 31.823 -0.183 0.000 1.010 227 V HN 0.560 nan 8.190 nan 0.000 0.443 228 P HA 0.021 nan 4.420 nan 0.000 0.215 228 P C 0.778 177.829 177.300 -0.414 0.000 1.157 228 P CA 1.875 64.891 63.100 -0.141 0.000 0.863 228 P CB 0.506 32.292 31.700 0.144 0.000 0.787 229 G N -0.052 108.159 108.800 -0.982 0.000 2.660 229 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.247 229 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.247 229 G C -1.038 173.107 174.900 -1.258 0.000 1.328 229 G CA -0.439 43.856 45.100 -1.342 0.000 0.884 229 G HN 0.286 nan 8.290 nan 0.000 0.531 230 F N 1.907 121.395 119.950 -0.770 0.000 2.516 230 F HA 0.549 5.076 4.527 -0.000 0.000 0.351 230 F C 0.523 176.152 175.800 -0.284 0.000 1.208 230 F CA 0.260 57.937 58.000 -0.539 0.000 1.073 230 F CB 0.563 39.369 39.000 -0.323 0.000 1.203 230 F HN 0.600 nan 8.300 nan 0.000 0.602 231 E N 3.223 123.250 120.200 -0.288 0.000 2.165 231 E HA 0.279 4.629 4.350 -0.000 0.000 0.266 231 E C 0.153 176.642 176.600 -0.184 0.000 0.889 231 E CA -0.387 55.886 56.400 -0.211 0.000 0.756 231 E CB 1.217 30.662 29.700 -0.426 0.000 1.131 231 E HN 0.512 nan 8.360 nan 0.000 0.411 232 T N 1.094 115.552 114.554 -0.159 0.000 3.085 232 T HA 0.240 4.590 4.350 -0.000 0.000 0.264 232 T C -0.225 174.501 174.700 0.044 0.000 1.019 232 T CA -0.121 61.935 62.100 -0.073 0.000 0.910 232 T CB -0.255 68.328 68.868 -0.475 0.000 1.059 232 T HN 0.278 nan 8.240 nan 0.000 0.542 233 Y N 1.461 121.789 120.300 0.047 0.000 2.356 233 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 233 Y C 1.146 177.033 175.900 -0.020 0.000 0.958 233 Y CA -1.698 56.433 58.100 0.052 0.000 1.196 233 Y CB 1.166 39.592 38.460 -0.057 0.000 1.137 233 Y HN -0.022 nan 8.280 nan 0.000 0.485 234 L N 2.109 123.528 121.223 0.327 0.000 2.187 234 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 234 L C 2.259 179.230 176.870 0.168 0.000 1.100 234 L CA 1.501 56.535 54.840 0.324 0.000 0.765 234 L CB -0.377 41.885 42.059 0.338 0.000 0.904 234 L HN 0.916 nan 8.230 nan 0.000 0.437 235 G N -0.411 108.450 108.800 0.101 0.000 2.509 235 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 235 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 235 G C 1.387 176.254 174.900 -0.056 0.000 1.124 235 G CA 0.385 45.500 45.100 0.024 0.000 0.776 235 G HN 0.330 nan 8.290 nan 0.000 0.547 236 N N 0.323 118.927 118.700 -0.158 0.000 2.250 236 N HA -0.009 4.731 4.740 -0.000 0.000 0.181 236 N C 1.726 177.082 175.510 -0.256 0.000 1.017 236 N CA 0.527 53.416 53.050 -0.269 0.000 0.866 236 N CB -0.357 37.911 38.487 -0.366 0.000 0.985 236 N HN 0.303 nan 8.380 nan 0.000 0.429 237 F N 1.756 121.696 119.950 -0.017 0.000 2.146 237 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 237 F C 2.347 178.122 175.800 -0.041 0.000 1.096 237 F CA 0.837 58.815 58.000 -0.037 0.000 1.275 237 F CB -0.392 38.596 39.000 -0.020 0.000 1.008 237 F HN -0.040 nan 8.300 nan 0.000 0.480 238 R N -0.188 120.403 120.500 0.152 0.000 2.066 238 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 238 R C 2.317 178.630 176.300 0.021 0.000 1.131 238 R CA 1.356 57.507 56.100 0.083 0.000 0.955 238 R CB -1.202 29.142 30.300 0.073 0.000 0.851 238 R HN 0.236 nan 8.270 nan 0.000 0.432 239 V N 1.811 121.714 119.914 -0.018 0.000 2.407 239 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 239 V C 2.049 178.105 176.094 -0.063 0.000 1.055 239 V CA 1.664 63.937 62.300 -0.045 0.000 1.049 239 V CB -0.254 31.519 31.823 -0.084 0.000 0.662 239 V HN 0.366 nan 8.190 nan 0.000 0.455 240 I N -0.734 119.781 120.570 -0.092 0.000 2.353 240 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 240 I C 2.504 178.528 176.117 -0.156 0.000 1.119 240 I CA 1.579 62.808 61.300 -0.117 0.000 1.417 240 I CB -0.262 37.646 38.000 -0.154 0.000 1.078 240 I HN 0.275 nan 8.210 nan 0.000 0.421 241 K N 0.228 120.532 120.400 -0.158 0.000 2.148 241 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 241 K C 2.252 178.822 176.600 -0.050 0.000 1.050 241 K CA 0.674 56.819 56.287 -0.236 0.000 0.942 241 K CB -0.220 32.273 32.500 -0.013 0.000 0.724 241 K HN 0.254 nan 8.250 nan 0.000 0.446 242 R N 1.152 121.651 120.500 -0.002 0.000 2.115 242 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 242 R C 1.937 178.261 176.300 0.040 0.000 1.111 242 R CA 1.271 57.393 56.100 0.036 0.000 0.976 242 R CB -0.055 30.263 30.300 0.030 0.000 0.870 242 R HN 0.232 nan 8.270 nan 0.000 0.445 243 M N 0.083 119.695 119.600 0.020 0.000 2.236 243 M HA -0.053 4.427 4.480 -0.000 0.000 0.266 243 M C 2.234 178.565 176.300 0.051 0.000 1.070 243 M CA 1.052 56.380 55.300 0.047 0.000 1.137 243 M CB -0.054 32.581 32.600 0.058 0.000 1.378 243 M HN 0.065 nan 8.290 nan 0.000 0.426 244 L N -0.826 120.407 121.223 0.017 0.000 2.027 244 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 244 L C 2.432 179.391 176.870 0.148 0.000 1.074 244 L CA 1.041 55.910 54.840 0.049 0.000 0.745 244 L CB -0.787 41.223 42.059 -0.081 0.000 0.898 244 L HN 0.225 nan 8.230 nan 0.000 0.433 245 S N -0.752 115.065 115.700 0.195 0.000 2.469 245 S HA -0.193 4.277 4.470 -0.000 0.000 0.238 245 S C 1.786 176.451 174.600 0.108 0.000 0.998 245 S CA 1.012 59.330 58.200 0.197 0.000 0.957 245 S CB -0.148 63.175 63.200 0.205 0.000 0.764 245 S HN 0.399 nan 8.310 nan 0.000 0.514 246 E N 0.173 120.425 120.200 0.086 0.000 2.385 246 E HA 0.164 4.514 4.350 -0.000 0.000 0.194 246 E C 1.544 178.177 176.600 0.055 0.000 1.013 246 E CA 0.325 56.763 56.400 0.064 0.000 0.866 246 E CB 0.085 29.822 29.700 0.061 0.000 0.832 246 E HN 0.469 nan 8.360 nan 0.000 0.500 247 M N -1.370 118.265 119.600 0.058 0.000 2.465 247 M HA 0.182 4.662 4.480 -0.000 0.000 0.249 247 M C 1.040 177.364 176.300 0.040 0.000 1.130 247 M CA 0.640 55.964 55.300 0.041 0.000 1.067 247 M CB 1.241 33.858 32.600 0.029 0.000 1.394 247 M HN 0.234 nan 8.290 nan 0.000 0.483 248 G N 1.199 110.032 108.800 0.055 0.000 2.136 248 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 248 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 248 G C -0.083 174.847 174.900 0.049 0.000 0.989 248 G CA -0.231 44.897 45.100 0.046 0.000 0.682 248 G HN 0.303 nan 8.290 nan 0.000 0.522 249 V N 1.030 120.992 119.914 0.080 0.000 2.461 249 V HA 0.626 4.746 4.120 -0.000 0.000 0.275 249 V C 1.368 177.546 176.094 0.139 0.000 1.047 249 V CA 0.091 62.444 62.300 0.089 0.000 0.955 249 V CB 1.320 33.193 31.823 0.083 0.000 0.988 249 V HN 0.706 nan 8.190 nan 0.000 0.471 250 G N 4.502 113.338 108.800 0.061 0.000 2.432 250 G HA2 0.481 4.441 3.960 -0.000 0.000 0.257 250 G HA3 0.481 4.441 3.960 -0.000 0.000 0.257 250 G C -0.926 174.013 174.900 0.065 0.000 1.238 250 G CA -0.004 45.088 45.100 -0.012 0.000 0.838 250 G HN 0.903 nan 8.290 nan 0.000 0.547 251 Y N -1.482 118.828 120.300 0.016 0.000 2.670 251 Y HA 0.773 5.323 4.550 -0.000 0.000 0.334 251 Y C -0.558 175.362 175.900 0.034 0.000 1.185 251 Y CA -1.736 56.383 58.100 0.030 0.000 1.053 251 Y CB 1.191 39.679 38.460 0.047 0.000 1.298 251 Y HN 0.388 nan 8.280 nan 0.000 0.459 252 S N 2.067 117.945 115.700 0.296 0.000 2.746 252 S HA 0.338 4.808 4.470 -0.000 0.000 0.273 252 S C -1.681 173.093 174.600 0.290 0.000 1.172 252 S CA -0.478 57.848 58.200 0.210 0.000 1.116 252 S CB 0.843 64.114 63.200 0.118 0.000 1.057 252 S HN 0.712 nan 8.310 nan 0.000 0.483 253 L N 5.478 126.887 121.223 0.311 0.000 2.433 253 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 253 L C -0.692 176.257 176.870 0.131 0.000 1.120 253 L CA 0.083 55.046 54.840 0.205 0.000 0.879 253 L CB -0.207 41.953 42.059 0.168 0.000 1.232 253 L HN 0.571 nan 8.230 nan 0.000 0.454 254 L N 5.431 126.773 121.223 0.199 0.000 2.407 254 L HA 0.299 4.639 4.340 -0.000 0.000 0.282 254 L C 0.639 177.595 176.870 0.143 0.000 1.110 254 L CA -0.245 54.754 54.840 0.265 0.000 0.863 254 L CB -0.127 42.291 42.059 0.599 0.000 1.207 254 L HN 0.869 nan 8.230 nan 0.000 0.454 255 S N 2.628 118.147 115.700 -0.302 0.000 3.225 255 S HA -0.149 4.321 4.470 -0.000 0.000 0.812 255 S C -0.718 173.671 174.600 -0.352 0.000 0.610 255 S CA -0.306 57.555 58.200 -0.565 0.000 1.518 255 S CB -0.349 62.819 63.200 -0.053 0.000 1.023 255 S HN 0.898 nan 8.310 nan 0.000 0.891 256 D N 5.998 126.114 120.400 -0.474 0.000 2.378 256 D HA 0.343 4.983 4.640 -0.000 0.000 0.265 256 D C -1.868 174.104 176.300 -0.547 0.000 1.229 256 D CA -1.562 52.109 54.000 -0.549 0.000 0.914 256 D CB 1.376 41.980 40.800 -0.327 0.000 1.140 256 D HN 0.366 nan 8.370 nan 0.000 0.516 257 P HA 0.001 nan 4.420 nan 0.000 0.249 257 P C 1.087 178.147 177.300 -0.400 0.000 1.229 257 P CA 0.193 63.017 63.100 -0.461 0.000 0.788 257 P CB 0.250 31.704 31.700 -0.409 0.000 1.072 258 E N 0.746 120.671 120.200 -0.459 0.000 2.147 258 E HA -0.242 4.107 4.350 -0.000 0.000 0.199 258 E C 1.466 178.005 176.600 -0.102 0.000 1.005 258 E CA 1.173 57.480 56.400 -0.155 0.000 0.810 258 E CB -0.569 29.109 29.700 -0.036 0.000 0.736 258 E HN 0.086 nan 8.360 nan 0.000 0.460 259 E N 0.644 120.765 120.200 -0.131 0.000 2.047 259 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 259 E C 2.516 179.056 176.600 -0.100 0.000 0.987 259 E CA 1.734 58.080 56.400 -0.090 0.000 0.799 259 E CB -0.197 29.455 29.700 -0.081 0.000 0.752 259 E HN 0.484 nan 8.360 nan 0.000 0.449 260 V N -0.657 119.176 119.914 -0.135 0.000 2.809 260 V HA -0.053 4.067 4.120 -0.000 0.000 0.256 260 V C 2.194 178.187 176.094 -0.168 0.000 1.080 260 V CA 0.949 63.163 62.300 -0.144 0.000 1.102 260 V CB -0.696 31.044 31.823 -0.139 0.000 0.705 260 V HN 0.072 nan 8.190 nan 0.000 0.475 261 L N 0.329 121.424 121.223 -0.213 0.000 2.612 261 L HA 0.337 4.677 4.340 -0.000 0.000 0.230 261 L C 0.624 177.447 176.870 -0.078 0.000 1.140 261 L CA 0.609 55.284 54.840 -0.275 0.000 0.896 261 L CB -0.039 41.676 42.059 -0.573 0.000 1.065 261 L HN 0.355 nan 8.230 nan 0.000 0.447 262 D N 0.009 120.391 120.400 -0.030 0.000 3.407 262 D HA 0.038 4.678 4.640 -0.000 0.000 0.291 262 D C 0.100 176.405 176.300 0.009 0.000 1.309 262 D CA -0.173 53.854 54.000 0.046 0.000 0.747 262 D CB 0.486 41.340 40.800 0.089 0.000 1.343 262 D HN -0.013 nan 8.370 nan 0.000 0.631 263 T N -0.005 114.538 114.554 -0.017 0.000 2.897 263 T HA 0.590 4.940 4.350 -0.000 0.000 0.294 263 T C -1.710 172.985 174.700 -0.008 0.000 1.004 263 T CA -1.191 60.887 62.100 -0.036 0.000 1.106 263 T CB 1.247 70.062 68.868 -0.089 0.000 0.949 263 T HN 0.053 nan 8.240 nan 0.000 0.520 264 P HA 0.326 nan 4.420 nan 0.000 0.270 264 P C -0.957 176.350 177.300 0.012 0.000 1.223 264 P CA -0.569 62.534 63.100 0.004 0.000 0.785 264 P CB 0.389 32.089 31.700 -0.000 0.000 0.923 265 A N 1.861 124.695 122.820 0.022 0.000 2.322 265 A HA 0.471 4.791 4.320 -0.000 0.000 0.327 265 A C -0.321 177.281 177.584 0.029 0.000 1.394 265 A CA -0.433 51.623 52.037 0.033 0.000 0.921 265 A CB -0.214 18.812 19.000 0.043 0.000 1.153 265 A HN 0.576 nan 8.150 nan 0.000 0.523 266 D N 0.778 121.196 120.400 0.030 0.000 2.914 266 D HA 0.366 5.006 4.640 -0.000 0.000 0.349 266 D C 0.826 177.146 176.300 0.034 0.000 1.540 266 D CA 0.421 54.438 54.000 0.028 0.000 0.778 266 D CB -0.232 40.580 40.800 0.020 0.000 1.213 266 D HN 1.093 nan 8.370 nan 0.000 0.451 267 G N 0.267 109.094 108.800 0.044 0.000 2.253 267 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 267 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 267 G C 0.049 174.989 174.900 0.067 0.000 0.998 267 G CA -0.000 45.130 45.100 0.051 0.000 0.621 267 G HN 0.455 nan 8.290 nan 0.000 0.524 268 Q N -0.324 119.515 119.800 0.064 0.000 2.293 268 Q HA 0.624 4.964 4.340 -0.000 0.000 0.261 268 Q C -0.838 175.223 176.000 0.101 0.000 0.960 268 Q CA -0.949 54.902 55.803 0.079 0.000 0.882 268 Q CB 1.994 30.758 28.738 0.043 0.000 1.275 268 Q HN 0.363 nan 8.270 nan 0.000 0.445 269 F N 2.524 122.477 119.950 0.004 0.000 2.404 269 F HA 0.372 4.899 4.527 -0.000 0.000 0.358 269 F C -0.454 175.335 175.800 -0.017 0.000 1.120 269 F CA -0.521 57.475 58.000 -0.007 0.000 1.144 269 F CB 0.581 39.576 39.000 -0.009 0.000 1.133 269 F HN 0.366 nan 8.300 nan 0.000 0.495 270 R N 7.212 127.250 120.500 -0.770 0.000 2.215 270 R HA 0.230 4.570 4.340 -0.000 0.000 0.337 270 R C 1.146 176.836 176.300 -1.016 0.000 1.010 270 R CA -0.364 55.347 56.100 -0.647 0.000 0.871 270 R CB 1.294 31.408 30.300 -0.309 0.000 1.134 270 R HN 0.970 nan 8.270 nan 0.000 0.477 271 M N 2.655 121.694 119.600 -0.936 0.000 2.200 271 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 271 M C -0.598 175.294 176.300 -0.681 0.000 1.066 271 M CA 1.680 56.500 55.300 -0.800 0.000 1.127 271 M CB 0.429 32.677 32.600 -0.588 0.000 1.379 271 M HN 0.380 nan 8.290 nan 0.000 0.420 272 Y N -0.119 120.094 120.300 -0.144 0.000 2.468 272 Y HA 0.705 5.255 4.550 -0.000 0.000 0.342 272 Y C -0.436 175.400 175.900 -0.106 0.000 1.021 272 Y CA -1.439 56.608 58.100 -0.088 0.000 1.079 272 Y CB 1.675 40.120 38.460 -0.025 0.000 1.226 272 Y HN 0.075 nan 8.280 nan 0.000 0.460 273 A N 1.346 124.210 122.820 0.074 0.000 2.512 273 A HA 0.620 4.940 4.320 -0.000 0.000 0.294 273 A C 0.176 177.745 177.584 -0.024 0.000 1.054 273 A CA -0.232 51.803 52.037 -0.004 0.000 0.756 273 A CB 0.418 19.382 19.000 -0.060 0.000 1.293 273 A HN 1.554 nan 8.150 nan 0.000 0.395 274 G N 1.549 110.333 108.800 -0.026 0.000 2.594 274 G HA2 0.428 4.388 3.960 -0.000 0.000 0.297 274 G HA3 0.428 4.388 3.960 -0.000 0.000 0.297 274 G C 1.573 176.434 174.900 -0.064 0.000 1.273 274 G CA 1.508 46.580 45.100 -0.047 0.000 0.974 274 G HN 3.237 nan 8.290 nan 0.000 0.552 275 G N -3.829 104.907 108.800 -0.107 0.000 2.712 275 G HA2 0.358 4.318 3.960 -0.000 0.000 0.683 275 G HA3 0.358 4.318 3.960 -0.000 0.000 0.683 275 G C -0.127 174.690 174.900 -0.138 0.000 1.320 275 G CA 0.399 45.407 45.100 -0.153 0.000 0.847 275 G HN 1.936 nan 8.290 nan 0.000 0.553 276 T N 2.008 116.433 114.554 -0.215 0.000 2.769 276 T HA 0.506 4.856 4.350 -0.000 0.000 0.293 276 T C 1.334 176.021 174.700 -0.021 0.000 0.931 276 T CA 0.754 62.770 62.100 -0.140 0.000 1.139 276 T CB 0.307 69.013 68.868 -0.271 0.000 0.881 276 T HN 1.305 nan 8.240 nan 0.000 0.532 277 T N 2.208 116.738 114.554 -0.040 0.000 2.813 277 T HA 0.127 4.477 4.350 -0.000 0.000 0.297 277 T C 1.388 176.018 174.700 -0.118 0.000 1.036 277 T CA -0.596 61.468 62.100 -0.059 0.000 1.044 277 T CB 0.800 69.628 68.868 -0.066 0.000 0.993 277 T HN 0.580 nan 8.240 nan 0.000 0.535 278 Q N -0.113 119.570 119.800 -0.195 0.000 2.124 278 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 278 Q C 2.267 178.044 176.000 -0.372 0.000 0.977 278 Q CA 1.614 57.150 55.803 -0.444 0.000 0.850 278 Q CB -0.187 28.340 28.738 -0.351 0.000 0.901 278 Q HN 0.884 nan 8.270 nan 0.000 0.429 279 E N 1.499 121.584 120.200 -0.191 0.000 2.058 279 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 279 E C 1.482 178.007 176.600 -0.125 0.000 0.997 279 E CA 1.663 57.984 56.400 -0.132 0.000 0.801 279 E CB -0.009 29.641 29.700 -0.083 0.000 0.746 279 E HN 0.325 nan 8.360 nan 0.000 0.450 280 E N -0.803 119.336 120.200 -0.102 0.000 2.160 280 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 280 E C 1.915 178.484 176.600 -0.052 0.000 0.991 280 E CA 1.361 57.725 56.400 -0.060 0.000 0.810 280 E CB -0.180 29.505 29.700 -0.025 0.000 0.742 280 E HN 0.280 nan 8.360 nan 0.000 0.466 281 M N 0.961 120.494 119.600 -0.112 0.000 2.160 281 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 281 M C 1.621 177.861 176.300 -0.099 0.000 1.073 281 M CA 1.683 56.928 55.300 -0.091 0.000 1.142 281 M CB 0.193 32.618 32.600 -0.291 0.000 1.358 281 M HN -0.195 nan 8.290 nan 0.000 0.422 282 K N -0.633 119.669 120.400 -0.163 0.000 2.147 282 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 282 K C 1.277 177.813 176.600 -0.106 0.000 1.049 282 K CA 1.603 57.852 56.287 -0.064 0.000 0.936 282 K CB -0.321 32.155 32.500 -0.041 0.000 0.722 282 K HN 0.401 nan 8.250 nan 0.000 0.446 283 D N 0.097 120.425 120.400 -0.119 0.000 2.340 283 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 283 D C 1.482 177.674 176.300 -0.181 0.000 1.039 283 D CA 0.263 54.185 54.000 -0.131 0.000 0.866 283 D CB 0.258 41.004 40.800 -0.089 0.000 0.913 283 D HN 0.163 nan 8.370 nan 0.000 0.523 284 A N 1.039 123.717 122.820 -0.237 0.000 1.940 284 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 284 A C -0.195 177.054 177.584 -0.559 0.000 1.176 284 A CA 1.023 52.875 52.037 -0.308 0.000 0.631 284 A CB -1.380 17.466 19.000 -0.257 0.000 0.814 284 A HN 0.290 nan 8.150 nan 0.000 0.446 285 P HA -0.095 nan 4.420 nan 0.000 0.221 285 P C 0.495 177.677 177.300 -0.195 0.000 1.150 285 P CA 1.165 63.776 63.100 -0.815 0.000 0.800 285 P CB -0.320 30.847 31.700 -0.888 0.000 0.787 286 N N -0.582 118.022 118.700 -0.159 0.000 2.575 286 N HA 0.078 4.818 4.740 -0.000 0.000 0.192 286 N C 0.468 175.972 175.510 -0.010 0.000 1.200 286 N CA -0.447 52.569 53.050 -0.057 0.000 0.897 286 N CB -0.140 38.304 38.487 -0.072 0.000 0.990 286 N HN 0.147 nan 8.380 nan 0.000 0.449 287 A N 0.212 123.046 122.820 0.024 0.000 2.332 287 A HA 0.236 4.556 4.320 -0.000 0.000 0.258 287 A C 1.256 178.756 177.584 -0.141 0.000 1.087 287 A CA -0.454 51.566 52.037 -0.028 0.000 0.802 287 A CB 0.487 19.495 19.000 0.014 0.000 1.042 287 A HN 0.153 nan 8.150 nan 0.000 0.489 288 L N 0.363 121.504 121.223 -0.136 0.000 2.017 288 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 288 L C 1.233 177.919 176.870 -0.306 0.000 1.073 288 L CA 1.483 56.233 54.840 -0.151 0.000 0.745 288 L CB -0.246 41.760 42.059 -0.088 0.000 0.894 288 L HN 0.849 nan 8.230 nan 0.000 0.432 289 N N -2.533 115.952 118.700 -0.359 0.000 3.364 289 N HA 0.285 5.025 4.740 -0.000 0.000 0.294 289 N C -1.421 173.971 175.510 -0.198 0.000 1.562 289 N CA -0.347 52.459 53.050 -0.408 0.000 0.862 289 N CB 1.932 40.330 38.487 -0.149 0.000 1.691 289 N HN -0.305 nan 8.380 nan 0.000 0.572 290 T N 0.455 115.021 114.554 0.019 0.000 2.991 290 T HA 0.485 4.834 4.350 -0.000 0.000 0.303 290 T C -0.881 173.894 174.700 0.124 0.000 1.015 290 T CA -0.511 61.697 62.100 0.180 0.000 1.007 290 T CB 1.151 70.267 68.868 0.412 0.000 1.034 290 T HN 0.347 nan 8.240 nan 0.000 0.446 291 V N 2.176 122.162 119.914 0.120 0.000 2.483 291 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 291 V C -0.494 175.646 176.094 0.077 0.000 1.035 291 V CA -1.071 61.291 62.300 0.105 0.000 0.896 291 V CB 1.238 33.163 31.823 0.170 0.000 0.986 291 V HN 0.772 nan 8.190 nan 0.000 0.447 292 L N 4.991 126.226 121.223 0.020 0.000 2.283 292 L HA 0.413 4.753 4.340 -0.000 0.000 0.281 292 L C 1.179 177.995 176.870 -0.091 0.000 1.033 292 L CA -0.526 54.280 54.840 -0.056 0.000 0.848 292 L CB 1.400 43.405 42.059 -0.090 0.000 1.226 292 L HN 0.672 nan 8.230 nan 0.000 0.429 293 L N 1.896 123.050 121.223 -0.116 0.000 2.129 293 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 293 L C 0.715 177.502 176.870 -0.140 0.000 1.087 293 L CA 1.608 56.354 54.840 -0.157 0.000 0.757 293 L CB -0.220 41.725 42.059 -0.191 0.000 0.896 293 L HN 0.736 nan 8.230 nan 0.000 0.434 294 Q N -0.620 119.068 119.800 -0.187 0.000 3.064 294 Q HA 0.176 4.516 4.340 -0.000 0.000 0.258 294 Q C -1.730 174.126 176.000 -0.239 0.000 0.972 294 Q CA -1.494 54.227 55.803 -0.137 0.000 0.761 294 Q CB 1.317 30.013 28.738 -0.070 0.000 1.281 294 Q HN 0.054 nan 8.270 nan 0.000 0.455 295 P HA -0.216 nan 4.420 nan 0.000 0.215 295 P C 0.555 177.715 177.300 -0.233 0.000 1.163 295 P CA 1.459 64.409 63.100 -0.250 0.000 0.894 295 P CB 0.042 31.541 31.700 -0.335 0.000 0.791 296 W N 0.554 121.875 121.300 0.036 0.000 2.389 296 W HA -0.149 4.511 4.660 -0.000 0.000 0.267 296 W C 2.213 178.801 176.519 0.114 0.000 1.219 296 W CA 1.471 58.886 57.345 0.118 0.000 1.189 296 W CB -1.021 28.580 29.460 0.235 0.000 1.129 296 W HN 0.359 nan 8.180 nan 0.000 0.581 297 H N -2.660 116.493 119.070 0.137 0.000 2.649 297 H HA 0.345 4.901 4.556 -0.000 0.000 0.258 297 H C 0.311 175.678 175.328 0.066 0.000 1.165 297 H CA -0.108 55.986 56.048 0.076 0.000 1.006 297 H CB -0.534 29.240 29.762 0.020 0.000 1.743 297 H HN 0.188 nan 8.280 nan 0.000 0.609 298 L N 1.034 122.172 121.223 -0.140 0.000 3.255 298 L HA 0.255 4.595 4.340 -0.000 0.000 0.293 298 L C 1.095 177.944 176.870 -0.035 0.000 1.302 298 L CA -0.011 54.773 54.840 -0.093 0.000 0.977 298 L CB 0.897 42.832 42.059 -0.206 0.000 1.390 298 L HN 0.123 nan 8.230 nan 0.000 0.588 299 E N 0.733 120.929 120.200 -0.006 0.000 2.046 299 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 299 E C 1.998 178.609 176.600 0.018 0.000 0.982 299 E CA 1.039 57.431 56.400 -0.014 0.000 0.800 299 E CB 0.317 30.017 29.700 0.001 0.000 0.756 299 E HN 0.287 nan 8.360 nan 0.000 0.449 300 K N 0.063 120.492 120.400 0.048 0.000 2.097 300 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 300 K C 1.922 178.560 176.600 0.063 0.000 1.049 300 K CA 1.586 57.903 56.287 0.050 0.000 0.933 300 K CB 0.023 32.553 32.500 0.049 0.000 0.717 300 K HN 0.048 nan 8.250 nan 0.000 0.442 301 T N 0.952 115.562 114.554 0.093 0.000 2.821 301 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 301 T C 1.654 176.400 174.700 0.077 0.000 1.046 301 T CA 1.231 63.414 62.100 0.139 0.000 1.139 301 T CB -0.033 68.975 68.868 0.233 0.000 0.871 301 T HN 0.313 nan 8.240 nan 0.000 0.454 302 K N 1.072 121.490 120.400 0.030 0.000 2.002 302 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 302 K C 2.281 178.872 176.600 -0.015 0.000 1.048 302 K CA 1.154 57.436 56.287 -0.009 0.000 0.930 302 K CB 0.000 32.476 32.500 -0.040 0.000 0.714 302 K HN 0.037 nan 8.250 nan 0.000 0.438 303 K N 0.206 120.608 120.400 0.004 0.000 2.059 303 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 303 K C 2.077 178.674 176.600 -0.004 0.000 1.050 303 K CA 1.611 57.900 56.287 0.004 0.000 0.927 303 K CB -0.587 31.930 32.500 0.029 0.000 0.714 303 K HN 0.244 nan 8.250 nan 0.000 0.447 304 F N 1.459 121.319 119.950 -0.151 0.000 2.186 304 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 304 F C 2.067 177.621 175.800 -0.410 0.000 1.090 304 F CA 0.758 58.615 58.000 -0.239 0.000 1.307 304 F CB -0.015 38.830 39.000 -0.259 0.000 1.019 304 F HN -0.278 nan 8.300 nan 0.000 0.489 305 V N 0.152 119.852 119.914 -0.358 0.000 2.515 305 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 305 V C 2.030 177.950 176.094 -0.290 0.000 1.058 305 V CA 2.095 64.069 62.300 -0.544 0.000 1.064 305 V CB -0.571 31.116 31.823 -0.228 0.000 0.675 305 V HN 0.349 nan 8.190 nan 0.000 0.461 306 E N 0.359 120.456 120.200 -0.172 0.000 2.140 306 E HA 0.024 4.373 4.350 -0.000 0.000 0.191 306 E C 2.050 178.582 176.600 -0.114 0.000 0.973 306 E CA 0.873 57.222 56.400 -0.086 0.000 0.829 306 E CB -0.129 29.547 29.700 -0.041 0.000 0.781 306 E HN 0.591 nan 8.360 nan 0.000 0.466 307 G N 0.233 108.932 108.800 -0.169 0.000 3.448 307 G HA2 0.040 4.000 3.960 -0.000 0.000 0.261 307 G HA3 0.040 4.000 3.960 -0.000 0.000 0.261 307 G C 0.738 175.501 174.900 -0.228 0.000 1.173 307 G CA 0.146 45.156 45.100 -0.150 0.000 0.835 307 G HN 0.069 nan 8.290 nan 0.000 0.534 308 T N -1.935 112.421 114.554 -0.330 0.000 3.265 308 T HA 0.044 4.394 4.350 -0.000 0.000 0.263 308 T C 1.093 175.753 174.700 -0.067 0.000 0.862 308 T CA -0.268 61.631 62.100 -0.335 0.000 0.900 308 T CB 0.042 68.391 68.868 -0.864 0.000 1.260 308 T HN 0.281 nan 8.240 nan 0.000 0.547 309 W N 2.271 123.306 121.300 -0.442 0.000 3.107 309 W HA 0.461 5.121 4.660 -0.000 0.000 0.293 309 W C 0.360 176.623 176.519 -0.428 0.000 1.239 309 W CA -0.612 56.441 57.345 -0.488 0.000 1.653 309 W CB 0.101 29.129 29.460 -0.721 0.000 1.068 309 W HN 0.037 nan 8.180 nan 0.000 0.615 310 K N 0.171 120.543 120.400 -0.046 0.000 3.117 310 K HA -0.251 4.069 4.320 -0.000 0.000 0.269 310 K C -0.590 176.111 176.600 0.169 0.000 1.098 310 K CA 0.864 57.169 56.287 0.030 0.000 0.785 310 K CB -2.656 29.866 32.500 0.037 0.000 1.242 310 K HN 0.449 nan 8.250 nan 0.000 0.491 311 H N 0.528 119.660 119.070 0.104 0.000 2.473 311 H HA 0.200 4.756 4.556 -0.000 0.000 0.327 311 H C 0.286 175.644 175.328 0.051 0.000 1.105 311 H CA -0.710 55.397 56.048 0.098 0.000 1.280 311 H CB 0.867 30.729 29.762 0.167 0.000 1.450 311 H HN 0.080 nan 8.280 nan 0.000 0.492 312 E N 2.947 123.237 120.200 0.150 0.000 2.261 312 E HA 0.069 4.419 4.350 -0.000 0.000 0.308 312 E C -0.280 176.352 176.600 0.053 0.000 1.400 312 E CA -0.370 56.073 56.400 0.071 0.000 1.542 312 E CB 0.136 29.859 29.700 0.039 0.000 1.369 312 E HN 0.301 nan 8.360 nan 0.000 0.493 313 V N 3.181 123.140 119.914 0.075 0.000 2.621 313 V HA -0.104 4.016 4.120 -0.000 0.000 0.300 313 V C -1.784 174.312 176.094 0.005 0.000 1.031 313 V CA -0.547 61.782 62.300 0.048 0.000 1.210 313 V CB -0.590 31.258 31.823 0.042 0.000 0.864 313 V HN 0.370 nan 8.190 nan 0.000 0.477 314 P HA 0.188 nan 4.420 nan 0.000 0.272 314 P C -0.495 176.778 177.300 -0.045 0.000 1.223 314 P CA -0.579 62.506 63.100 -0.024 0.000 0.784 314 P CB 0.485 32.170 31.700 -0.026 0.000 0.923 315 K N 3.035 123.399 120.400 -0.060 0.000 2.206 315 K HA 0.333 4.653 4.320 -0.000 0.000 0.268 315 K C -1.214 175.322 176.600 -0.108 0.000 1.111 315 K CA 0.185 56.415 56.287 -0.094 0.000 0.955 315 K CB -1.172 31.273 32.500 -0.091 0.000 1.406 315 K HN 0.361 nan 8.250 nan 0.000 0.427 316 L N 3.360 124.514 121.223 -0.115 0.000 2.362 316 L HA 0.475 4.815 4.340 -0.000 0.000 0.271 316 L C -0.077 176.659 176.870 -0.224 0.000 1.002 316 L CA -1.204 53.556 54.840 -0.133 0.000 0.818 316 L CB 2.124 44.177 42.059 -0.010 0.000 1.298 316 L HN 0.554 nan 8.230 nan 0.000 0.420 317 N N 1.158 119.605 118.700 -0.422 0.000 2.408 317 N HA 0.367 5.107 4.740 -0.000 0.000 0.260 317 N C -0.198 175.143 175.510 -0.281 0.000 1.242 317 N CA -0.659 52.046 53.050 -0.575 0.000 0.959 317 N CB 1.000 38.468 38.487 -1.700 0.000 1.201 317 N HN 0.489 nan 8.380 nan 0.000 0.511 318 I N 1.895 122.404 120.570 -0.103 0.000 2.775 318 I HA 0.020 4.190 4.170 -0.000 0.000 0.290 318 I C -1.836 174.308 176.117 0.045 0.000 1.203 318 I CA -1.312 59.986 61.300 -0.005 0.000 1.433 318 I CB 0.728 38.795 38.000 0.112 0.000 1.354 318 I HN 0.460 nan 8.210 nan 0.000 0.579 319 P HA 0.143 nan 4.420 nan 0.000 0.237 319 P C -0.971 176.254 177.300 -0.125 0.000 1.788 319 P CA 0.269 63.279 63.100 -0.150 0.000 1.061 319 P CB -0.041 31.312 31.700 -0.578 0.000 1.967 320 M N 1.208 120.823 119.600 0.026 0.000 2.465 320 M HA 0.592 5.072 4.480 -0.000 0.000 0.316 320 M C 0.638 176.810 176.300 -0.213 0.000 1.121 320 M CA 0.117 55.335 55.300 -0.137 0.000 0.934 320 M CB 2.556 35.093 32.600 -0.105 0.000 1.692 320 M HN 0.386 nan 8.290 nan 0.000 0.444 321 G N 1.055 109.568 108.800 -0.478 0.000 2.760 321 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.246 321 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.246 321 G C -0.329 174.469 174.900 -0.169 0.000 1.359 321 G CA -0.193 44.604 45.100 -0.505 0.000 0.861 321 G HN 0.710 nan 8.290 nan 0.000 0.541 322 L N 0.001 121.241 121.223 0.029 0.000 1.982 322 L HA 0.160 4.499 4.340 -0.000 0.000 0.206 322 L C 2.644 179.608 176.870 0.156 0.000 1.078 322 L CA 2.910 57.851 54.840 0.168 0.000 0.749 322 L CB -0.985 41.179 42.059 0.176 0.000 0.894 322 L HN 0.678 nan 8.230 nan 0.000 0.436 323 D N -0.745 119.710 120.400 0.091 0.000 2.106 323 D HA -0.259 4.381 4.640 -0.000 0.000 0.191 323 D C 2.016 178.492 176.300 0.292 0.000 0.997 323 D CA 1.658 55.748 54.000 0.149 0.000 0.834 323 D CB -0.569 40.288 40.800 0.096 0.000 0.956 323 D HN 0.441 nan 8.370 nan 0.000 0.448 324 W N 1.137 122.461 121.300 0.040 0.000 2.421 324 W HA -0.018 4.642 4.660 -0.000 0.000 0.270 324 W C 2.274 178.798 176.519 0.008 0.000 1.233 324 W CA 0.676 58.036 57.345 0.025 0.000 1.226 324 W CB -1.361 28.100 29.460 0.002 0.000 1.121 324 W HN -0.015 nan 8.180 nan 0.000 0.579 325 T N -0.563 114.080 114.554 0.148 0.000 3.014 325 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 325 T C 1.201 175.942 174.700 0.068 0.000 1.078 325 T CA 1.236 63.315 62.100 -0.036 0.000 1.135 325 T CB -0.062 68.521 68.868 -0.475 0.000 0.895 325 T HN -0.056 nan 8.240 nan 0.000 0.480 326 D N 1.695 122.194 120.400 0.165 0.000 2.078 326 D HA -0.066 4.574 4.640 -0.000 0.000 0.193 326 D C 2.186 178.574 176.300 0.147 0.000 0.990 326 D CA 1.133 55.248 54.000 0.192 0.000 0.827 326 D CB -0.196 40.718 40.800 0.191 0.000 0.975 326 D HN 0.458 nan 8.370 nan 0.000 0.451 327 E N -0.230 120.070 120.200 0.167 0.000 2.058 327 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 327 E C 1.963 178.617 176.600 0.091 0.000 0.997 327 E CA 0.609 57.080 56.400 0.120 0.000 0.801 327 E CB -0.249 29.529 29.700 0.129 0.000 0.746 327 E HN 0.214 nan 8.360 nan 0.000 0.450 328 F N 1.004 120.952 119.950 -0.003 0.000 2.126 328 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 328 F C 1.876 177.657 175.800 -0.031 0.000 1.096 328 F CA 1.021 59.000 58.000 -0.035 0.000 1.255 328 F CB -0.071 38.895 39.000 -0.058 0.000 0.997 328 F HN -0.021 nan 8.300 nan 0.000 0.479 329 L N -0.053 121.125 121.223 -0.073 0.000 2.072 329 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 329 L C 2.381 179.173 176.870 -0.129 0.000 1.079 329 L CA 1.728 56.488 54.840 -0.134 0.000 0.752 329 L CB -0.861 41.226 42.059 0.047 0.000 0.906 329 L HN 0.202 nan 8.230 nan 0.000 0.436 330 M N -1.301 118.265 119.600 -0.057 0.000 2.175 330 M HA -0.194 4.286 4.480 -0.000 0.000 0.264 330 M C 2.111 178.361 176.300 -0.082 0.000 1.063 330 M CA 1.336 56.611 55.300 -0.042 0.000 1.119 330 M CB -0.197 32.404 32.600 0.002 0.000 1.377 330 M HN -0.005 nan 8.290 nan 0.000 0.415 331 K N 0.401 120.730 120.400 -0.119 0.000 2.217 331 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 331 K C 1.350 177.839 176.600 -0.185 0.000 1.051 331 K CA 1.046 57.255 56.287 -0.130 0.000 0.952 331 K CB -0.186 32.245 32.500 -0.117 0.000 0.736 331 K HN 0.145 nan 8.250 nan 0.000 0.453 332 V N 0.159 119.896 119.914 -0.296 0.000 2.719 332 V HA -0.080 4.040 4.120 -0.000 0.000 0.252 332 V C 2.218 178.214 176.094 -0.164 0.000 1.065 332 V CA 1.628 63.749 62.300 -0.298 0.000 1.086 332 V CB -0.119 31.412 31.823 -0.488 0.000 0.700 332 V HN 0.430 nan 8.190 nan 0.000 0.467 333 S N -0.296 115.326 115.700 -0.131 0.000 2.395 333 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 333 S C 2.048 176.614 174.600 -0.057 0.000 1.027 333 S CA 1.631 59.788 58.200 -0.073 0.000 0.965 333 S CB -0.108 63.061 63.200 -0.051 0.000 0.812 333 S HN 0.725 nan 8.310 nan 0.000 0.482 334 E N 0.088 120.250 120.200 -0.062 0.000 2.152 334 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 334 E C 1.767 178.339 176.600 -0.048 0.000 0.983 334 E CA 0.990 57.362 56.400 -0.047 0.000 0.818 334 E CB -0.095 29.579 29.700 -0.044 0.000 0.758 334 E HN 0.611 nan 8.360 nan 0.000 0.467 335 I N 0.492 121.024 120.570 -0.064 0.000 2.716 335 I HA -0.109 4.061 4.170 -0.000 0.000 0.259 335 I C 1.982 178.069 176.117 -0.050 0.000 1.172 335 I CA 0.852 62.117 61.300 -0.059 0.000 1.478 335 I CB 0.202 38.157 38.000 -0.075 0.000 1.104 335 I HN 0.124 nan 8.210 nan 0.000 0.439 336 S N -0.958 114.714 115.700 -0.048 0.000 2.526 336 S HA 0.331 4.801 4.470 -0.000 0.000 0.220 336 S C 1.607 176.192 174.600 -0.025 0.000 1.017 336 S CA 0.349 58.530 58.200 -0.033 0.000 0.930 336 S CB 1.036 64.220 63.200 -0.027 0.000 0.856 336 S HN 0.476 nan 8.310 nan 0.000 0.497 337 G N 1.315 110.098 108.800 -0.028 0.000 2.267 337 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 337 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 337 G C -0.007 174.884 174.900 -0.016 0.000 0.998 337 G CA 0.162 45.250 45.100 -0.020 0.000 0.620 337 G HN 0.522 nan 8.290 nan 0.000 0.529 338 Q N 1.844 121.635 119.800 -0.016 0.000 2.289 338 Q HA 0.332 4.672 4.340 -0.000 0.000 0.273 338 Q C -1.866 174.128 176.000 -0.010 0.000 1.029 338 Q CA -1.065 54.732 55.803 -0.009 0.000 0.896 338 Q CB 1.233 29.969 28.738 -0.003 0.000 1.182 338 Q HN 0.461 nan 8.270 nan 0.000 0.385 339 P HA 0.217 nan 4.420 nan 0.000 0.276 339 P C -0.227 177.076 177.300 0.005 0.000 1.261 339 P CA -0.577 62.522 63.100 -0.001 0.000 0.800 339 P CB 0.942 32.644 31.700 0.002 0.000 1.066 340 I N 2.341 122.918 120.570 0.011 0.000 2.452 340 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 340 I C -1.375 174.758 176.117 0.026 0.000 1.079 340 I CA -2.107 59.208 61.300 0.025 0.000 1.387 340 I CB -0.385 37.637 38.000 0.037 0.000 1.404 340 I HN 0.269 nan 8.210 nan 0.000 0.522 341 P HA 0.130 nan 4.420 nan 0.000 0.272 341 P C 0.543 177.858 177.300 0.025 0.000 1.230 341 P CA -0.333 62.783 63.100 0.026 0.000 0.788 341 P CB 1.060 32.778 31.700 0.031 0.000 0.949 342 A N 2.308 125.138 122.820 0.017 0.000 1.940 342 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 342 A C 2.308 179.897 177.584 0.009 0.000 1.176 342 A CA 2.389 54.432 52.037 0.010 0.000 0.631 342 A CB -1.667 17.336 19.000 0.006 0.000 0.814 342 A HN 0.709 nan 8.150 nan 0.000 0.446 343 S N 0.091 115.801 115.700 0.017 0.000 2.370 343 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 343 S C 1.855 176.469 174.600 0.024 0.000 1.033 343 S CA 1.515 59.726 58.200 0.018 0.000 1.011 343 S CB -0.761 62.455 63.200 0.027 0.000 0.852 343 S HN 0.455 nan 8.310 nan 0.000 0.457 344 L N 1.157 122.409 121.223 0.049 0.000 2.201 344 L HA -0.057 4.282 4.340 -0.000 0.000 0.212 344 L C 2.688 179.574 176.870 0.027 0.000 1.105 344 L CA 1.400 56.294 54.840 0.090 0.000 0.775 344 L CB -0.909 41.235 42.059 0.142 0.000 0.913 344 L HN 0.427 nan 8.230 nan 0.000 0.440 345 T N -1.097 113.458 114.554 0.001 0.000 2.942 345 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 345 T C 1.899 176.548 174.700 -0.084 0.000 1.062 345 T CA 0.950 63.026 62.100 -0.039 0.000 1.139 345 T CB 0.096 68.956 68.868 -0.014 0.000 0.883 345 T HN 0.229 nan 8.240 nan 0.000 0.468 346 K N 1.170 121.534 120.400 -0.060 0.000 2.062 346 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 346 K C 2.321 178.860 176.600 -0.102 0.000 1.051 346 K CA 1.190 57.438 56.287 -0.064 0.000 0.941 346 K CB -0.000 32.480 32.500 -0.033 0.000 0.719 346 K HN 0.322 nan 8.250 nan 0.000 0.440 347 E N 0.635 120.772 120.200 -0.105 0.000 2.110 347 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 347 E C 2.120 178.508 176.600 -0.354 0.000 0.988 347 E CA 1.011 57.332 56.400 -0.133 0.000 0.804 347 E CB 0.033 29.721 29.700 -0.020 0.000 0.745 347 E HN 0.187 nan 8.360 nan 0.000 0.458 348 R N -0.387 119.760 120.500 -0.587 0.000 2.115 348 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 348 R C 2.248 178.314 176.300 -0.389 0.000 1.111 348 R CA 1.374 56.936 56.100 -0.897 0.000 0.976 348 R CB -0.374 29.477 30.300 -0.747 0.000 0.870 348 R HN 0.277 nan 8.270 nan 0.000 0.445 349 G N 0.383 109.043 108.800 -0.233 0.000 2.421 349 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 349 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 349 G C 1.340 176.181 174.900 -0.098 0.000 1.143 349 G CA 0.031 45.053 45.100 -0.131 0.000 0.784 349 G HN 0.271 nan 8.290 nan 0.000 0.541 350 R N -0.475 119.963 120.500 -0.102 0.000 2.148 350 R HA 0.078 4.418 4.340 -0.000 0.000 0.223 350 R C 2.322 178.595 176.300 -0.045 0.000 1.088 350 R CA 0.670 56.735 56.100 -0.059 0.000 0.985 350 R CB -0.437 29.835 30.300 -0.047 0.000 0.880 350 R HN 0.412 nan 8.270 nan 0.000 0.451 351 L N 0.811 121.990 121.223 -0.074 0.000 2.072 351 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 351 L C 1.971 178.845 176.870 0.007 0.000 1.079 351 L CA 1.492 56.322 54.840 -0.018 0.000 0.752 351 L CB -0.300 41.748 42.059 -0.017 0.000 0.906 351 L HN -0.176 nan 8.230 nan 0.000 0.436 352 V N 0.128 120.024 119.914 -0.030 0.000 2.515 352 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 352 V C 2.289 178.377 176.094 -0.010 0.000 1.058 352 V CA 1.737 64.028 62.300 -0.015 0.000 1.064 352 V CB -0.819 30.982 31.823 -0.037 0.000 0.675 352 V HN 0.555 nan 8.190 nan 0.000 0.461 353 D N 0.016 120.407 120.400 -0.015 0.000 2.097 353 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 353 D C 2.179 178.490 176.300 0.018 0.000 0.984 353 D CA 1.601 55.599 54.000 -0.004 0.000 0.826 353 D CB -0.127 40.667 40.800 -0.010 0.000 0.973 353 D HN 0.347 nan 8.370 nan 0.000 0.460 354 M N -0.650 118.964 119.600 0.024 0.000 2.159 354 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 354 M C 2.324 178.660 176.300 0.059 0.000 1.063 354 M CA 1.152 56.477 55.300 0.042 0.000 1.110 354 M CB -0.224 32.401 32.600 0.043 0.000 1.374 354 M HN 0.137 nan 8.290 nan 0.000 0.411 355 M N -0.291 119.342 119.600 0.055 0.000 2.117 355 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 355 M C 2.369 178.713 176.300 0.072 0.000 1.065 355 M CA 2.146 57.477 55.300 0.051 0.000 1.114 355 M CB -0.760 31.860 32.600 0.033 0.000 1.361 355 M HN 0.458 nan 8.290 nan 0.000 0.408 356 T N -2.786 111.795 114.554 0.046 0.000 2.985 356 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 356 T C 1.356 176.177 174.700 0.201 0.000 1.076 356 T CA 1.032 63.164 62.100 0.055 0.000 1.135 356 T CB -0.292 68.552 68.868 -0.040 0.000 0.890 356 T HN 0.231 nan 8.240 nan 0.000 0.480 357 D N 1.204 121.679 120.400 0.125 0.000 2.269 357 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 357 D C 1.710 178.090 176.300 0.134 0.000 0.963 357 D CA 0.812 54.881 54.000 0.115 0.000 0.864 357 D CB 0.095 40.940 40.800 0.075 0.000 0.936 357 D HN 0.446 nan 8.370 nan 0.000 0.505 358 S N -0.567 115.220 115.700 0.146 0.000 2.540 358 S HA -0.043 4.427 4.470 -0.000 0.000 0.222 358 S C 1.619 176.280 174.600 0.101 0.000 1.008 358 S CA -0.482 57.808 58.200 0.150 0.000 0.939 358 S CB 0.192 63.464 63.200 0.120 0.000 0.865 358 S HN 0.429 nan 8.310 nan 0.000 0.499 359 H N 2.182 121.260 119.070 0.013 0.000 2.426 359 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 359 H C 1.831 177.136 175.328 -0.039 0.000 1.107 359 H CA 1.893 57.933 56.048 -0.013 0.000 1.298 359 H CB -1.156 28.584 29.762 -0.036 0.000 1.377 359 H HN 0.460 nan 8.280 nan 0.000 0.519 360 T N -3.213 110.836 114.554 -0.841 0.000 3.007 360 T HA -0.120 4.230 4.350 -0.000 0.000 0.270 360 T C 1.652 176.024 174.700 -0.547 0.000 1.107 360 T CA 0.899 62.548 62.100 -0.752 0.000 1.118 360 T CB -0.630 67.719 68.868 -0.865 0.000 0.889 360 T HN 0.543 nan 8.240 nan 0.000 0.506 361 W N 0.178 121.399 121.300 -0.131 0.000 2.872 361 W HA 0.505 5.165 4.660 -0.000 0.000 0.266 361 W C 1.918 178.416 176.519 -0.035 0.000 1.276 361 W CA -0.656 56.650 57.345 -0.066 0.000 1.471 361 W CB 0.153 29.575 29.460 -0.062 0.000 1.071 361 W HN 0.155 nan 8.180 nan 0.000 0.619 362 L N -0.882 120.438 121.223 0.162 0.000 2.307 362 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 362 L C 0.658 177.560 176.870 0.054 0.000 1.099 362 L CA 0.207 55.110 54.840 0.104 0.000 0.816 362 L CB -0.617 41.467 42.059 0.040 0.000 0.952 362 L HN -0.119 nan 8.230 nan 0.000 0.455 363 H N 0.136 119.175 119.070 -0.052 0.000 3.004 363 H HA 0.210 4.766 4.556 -0.000 0.000 0.316 363 H C 1.155 176.449 175.328 -0.057 0.000 1.014 363 H CA 0.859 56.856 56.048 -0.085 0.000 1.454 363 H CB 0.474 30.192 29.762 -0.073 0.000 1.472 363 H HN 0.272 nan 8.280 nan 0.000 0.571 364 G N 3.758 112.368 108.800 -0.316 0.000 2.184 364 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 364 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 364 G C 0.062 174.896 174.900 -0.110 0.000 0.975 364 G CA 0.055 45.068 45.100 -0.145 0.000 0.642 364 G HN 0.537 nan 8.290 nan 0.000 0.536 365 K N 0.808 121.127 120.400 -0.135 0.000 2.322 365 K HA 0.370 4.689 4.320 -0.000 0.000 0.283 365 K C 0.825 177.153 176.600 -0.454 0.000 1.042 365 K CA -0.229 55.894 56.287 -0.272 0.000 0.958 365 K CB 0.699 33.017 32.500 -0.304 0.000 0.984 365 K HN 0.425 nan 8.250 nan 0.000 0.473 366 R N 2.357 122.597 120.500 -0.434 0.000 2.254 366 R HA 0.365 4.704 4.340 -0.000 0.000 0.318 366 R C -0.501 175.536 176.300 -0.439 0.000 1.031 366 R CA -0.256 55.656 56.100 -0.314 0.000 0.905 366 R CB 0.462 30.663 30.300 -0.165 0.000 1.050 366 R HN 0.303 nan 8.270 nan 0.000 0.456 367 F N 0.767 120.749 119.950 0.053 0.000 2.563 367 F HA 0.615 5.142 4.527 -0.000 0.000 0.316 367 F C 0.102 175.970 175.800 0.113 0.000 1.076 367 F CA -0.947 57.115 58.000 0.103 0.000 0.921 367 F CB 2.048 41.089 39.000 0.069 0.000 1.209 367 F HN 0.483 nan 8.300 nan 0.000 0.462 368 A N 3.623 126.691 122.820 0.413 0.000 2.337 368 A HA 0.984 5.304 4.320 -0.000 0.000 0.329 368 A C -1.159 176.679 177.584 0.424 0.000 1.146 368 A CA -0.599 51.688 52.037 0.417 0.000 0.800 368 A CB 1.129 20.408 19.000 0.465 0.000 1.220 368 A HN 0.875 nan 8.150 nan 0.000 0.472 369 L N -1.410 120.072 121.223 0.433 0.000 2.568 369 L HA 1.045 5.385 4.340 -0.000 0.000 0.257 369 L C -1.019 176.168 176.870 0.527 0.000 1.024 369 L CA -0.991 54.063 54.840 0.356 0.000 0.854 369 L CB 1.609 43.759 42.059 0.152 0.000 1.460 369 L HN 1.089 nan 8.230 nan 0.000 0.409 370 W N -0.053 121.380 121.300 0.223 0.000 2.989 370 W HA 0.925 5.585 4.660 -0.000 0.000 0.344 370 W C -0.458 176.215 176.519 0.258 0.000 1.233 370 W CA -0.044 57.431 57.345 0.218 0.000 1.187 370 W CB 0.558 30.124 29.460 0.176 0.000 1.443 370 W HN 1.078 nan 8.180 nan 0.000 0.573 371 G N 0.334 109.356 108.800 0.370 0.000 2.373 371 G HA2 0.201 4.161 3.960 -0.000 0.000 0.250 371 G HA3 0.201 4.161 3.960 -0.000 0.000 0.250 371 G C -1.706 173.329 174.900 0.225 0.000 1.304 371 G CA -0.652 44.606 45.100 0.264 0.000 0.948 371 G HN 0.636 nan 8.290 nan 0.000 0.474 372 D N 1.110 121.620 120.400 0.182 0.000 2.313 372 D HA 0.439 5.079 4.640 -0.000 0.000 0.247 372 D C -1.248 175.061 176.300 0.015 0.000 1.094 372 D CA -1.287 52.731 54.000 0.029 0.000 0.925 372 D CB 1.515 42.284 40.800 -0.052 0.000 1.188 372 D HN -0.042 nan 8.370 nan 0.000 0.430 373 P HA -0.189 nan 4.420 nan 0.000 0.216 373 P C 0.773 178.176 177.300 0.173 0.000 1.167 373 P CA 1.450 64.302 63.100 -0.413 0.000 0.914 373 P CB 0.317 31.651 31.700 -0.611 0.000 0.793 374 D N -1.842 118.733 120.400 0.292 0.000 2.097 374 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 374 D C 1.886 178.393 176.300 0.345 0.000 0.984 374 D CA 0.962 55.201 54.000 0.397 0.000 0.826 374 D CB -0.724 40.304 40.800 0.380 0.000 0.973 374 D HN 0.106 nan 8.370 nan 0.000 0.460 375 F N 2.226 122.278 119.950 0.170 0.000 2.095 375 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 375 F C 2.265 178.155 175.800 0.151 0.000 1.104 375 F CA 1.118 59.197 58.000 0.132 0.000 1.232 375 F CB -0.476 38.583 39.000 0.099 0.000 0.987 375 F HN -0.256 nan 8.300 nan 0.000 0.475 376 V N 2.091 122.108 119.914 0.172 0.000 2.255 376 V HA -0.396 3.724 4.120 -0.000 0.000 0.247 376 V C 2.613 178.789 176.094 0.136 0.000 1.051 376 V CA 2.498 64.872 62.300 0.122 0.000 1.018 376 V CB -0.854 31.157 31.823 0.314 0.000 0.641 376 V HN 0.601 nan 8.190 nan 0.000 0.445 377 M N 0.292 120.083 119.600 0.320 0.000 2.159 377 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 377 M C 2.086 178.513 176.300 0.212 0.000 1.063 377 M CA 2.451 57.912 55.300 0.268 0.000 1.110 377 M CB -1.281 31.507 32.600 0.314 0.000 1.374 377 M HN 0.217 nan 8.290 nan 0.000 0.411 378 G N 1.365 110.306 108.800 0.236 0.000 2.418 378 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 378 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 378 G C 1.421 176.224 174.900 -0.161 0.000 1.158 378 G CA 0.779 45.950 45.100 0.118 0.000 0.771 378 G HN 0.397 nan 8.290 nan 0.000 0.545 379 L N 0.722 121.786 121.223 -0.264 0.000 2.156 379 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 379 L C 2.888 179.661 176.870 -0.163 0.000 1.095 379 L CA 0.994 55.662 54.840 -0.287 0.000 0.770 379 L CB -0.326 41.416 42.059 -0.527 0.000 0.914 379 L HN 0.093 nan 8.230 nan 0.000 0.439 380 V N -0.455 119.386 119.914 -0.121 0.000 2.307 380 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 380 V C 2.606 178.613 176.094 -0.146 0.000 1.045 380 V CA 1.807 64.054 62.300 -0.088 0.000 1.024 380 V CB -0.553 31.253 31.823 -0.029 0.000 0.651 380 V HN 0.417 nan 8.190 nan 0.000 0.449 381 K N 0.185 120.435 120.400 -0.251 0.000 2.020 381 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 381 K C 1.960 178.406 176.600 -0.257 0.000 1.050 381 K CA 1.948 57.981 56.287 -0.424 0.000 0.929 381 K CB -0.682 31.140 32.500 -1.129 0.000 0.714 381 K HN 0.296 nan 8.250 nan 0.000 0.443 382 F N 1.039 120.757 119.950 -0.386 0.000 2.102 382 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 382 F C 1.727 177.389 175.800 -0.230 0.000 1.105 382 F CA 1.378 59.203 58.000 -0.291 0.000 1.239 382 F CB -0.600 38.238 39.000 -0.270 0.000 0.991 382 F HN 0.013 nan 8.300 nan 0.000 0.474 383 L N -0.451 120.593 121.223 -0.298 0.000 2.081 383 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 383 L C 2.509 179.198 176.870 -0.300 0.000 1.080 383 L CA 1.264 55.893 54.840 -0.351 0.000 0.754 383 L CB -0.743 41.189 42.059 -0.212 0.000 0.893 383 L HN 0.216 nan 8.230 nan 0.000 0.433 384 L N -0.802 120.294 121.223 -0.212 0.000 2.056 384 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 384 L C 2.448 179.205 176.870 -0.189 0.000 1.078 384 L CA 1.172 55.925 54.840 -0.145 0.000 0.749 384 L CB -0.512 41.519 42.059 -0.047 0.000 0.901 384 L HN 0.285 nan 8.230 nan 0.000 0.433 385 E N 0.267 120.346 120.200 -0.202 0.000 2.204 385 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 385 E C 2.008 178.465 176.600 -0.238 0.000 0.990 385 E CA 0.899 57.204 56.400 -0.157 0.000 0.821 385 E CB -0.060 29.593 29.700 -0.078 0.000 0.750 385 E HN 0.513 nan 8.360 nan 0.000 0.477 386 L N -0.569 120.419 121.223 -0.391 0.000 2.592 386 L HA 0.174 4.514 4.340 -0.000 0.000 0.227 386 L C 1.358 178.023 176.870 -0.341 0.000 1.127 386 L CA 0.305 54.929 54.840 -0.361 0.000 0.884 386 L CB 0.220 41.983 42.059 -0.494 0.000 1.065 386 L HN 0.249 nan 8.230 nan 0.000 0.457 387 G N -0.734 107.714 108.800 -0.586 0.000 2.141 387 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 387 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 387 G C 0.247 174.563 174.900 -0.974 0.000 0.982 387 G CA -0.026 44.383 45.100 -1.151 0.000 0.662 387 G HN 0.321 nan 8.290 nan 0.000 0.527 388 C N 0.652 119.652 119.300 -0.500 0.000 2.422 388 C HA 0.647 5.106 4.460 -0.000 0.000 0.364 388 C C 0.540 175.460 174.990 -0.116 0.000 1.251 388 C CA -0.797 58.101 59.018 -0.200 0.000 2.441 388 C CB 1.336 29.121 27.740 0.076 0.000 2.393 388 C HN 0.445 nan 8.230 nan 0.000 0.606 389 E N 1.953 122.144 120.200 -0.016 0.000 2.070 389 E HA 0.267 4.617 4.350 -0.000 0.000 0.261 389 E C -2.452 174.189 176.600 0.067 0.000 0.926 389 E CA -1.559 54.852 56.400 0.019 0.000 0.760 389 E CB 0.796 30.485 29.700 -0.019 0.000 1.133 389 E HN 0.416 nan 8.360 nan 0.000 0.420 390 P HA 0.035 nan 4.420 nan 0.000 0.271 390 P C 0.424 177.743 177.300 0.031 0.000 1.216 390 P CA -0.014 63.146 63.100 0.100 0.000 0.776 390 P CB 1.224 32.965 31.700 0.068 0.000 0.881 391 V N 1.539 121.448 119.914 -0.009 0.000 3.058 391 V HA 0.099 4.219 4.120 -0.000 0.000 0.233 391 V C 0.198 176.173 176.094 -0.199 0.000 1.255 391 V CA 0.848 63.029 62.300 -0.198 0.000 1.267 391 V CB -0.260 31.306 31.823 -0.428 0.000 1.049 391 V HN 0.518 nan 8.190 nan 0.000 0.486 392 H N 0.953 120.162 119.070 0.232 0.000 2.792 392 H HA 0.547 5.103 4.556 -0.000 0.000 0.298 392 H C -0.822 174.711 175.328 0.342 0.000 1.042 392 H CA -0.412 55.832 56.048 0.326 0.000 1.300 392 H CB 1.122 31.034 29.762 0.251 0.000 1.431 392 H HN 0.247 nan 8.280 nan 0.000 0.496 393 I N 4.330 125.174 120.570 0.457 0.000 2.321 393 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 393 I C -0.184 176.236 176.117 0.505 0.000 0.998 393 I CA -0.423 61.118 61.300 0.403 0.000 1.227 393 I CB 1.640 39.809 38.000 0.281 0.000 1.368 393 I HN 0.241 nan 8.210 nan 0.000 0.466 394 L N 7.090 128.601 121.223 0.480 0.000 2.381 394 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 394 L C -1.382 175.712 176.870 0.373 0.000 0.997 394 L CA -0.231 54.868 54.840 0.432 0.000 0.818 394 L CB 2.051 44.302 42.059 0.320 0.000 1.310 394 L HN 0.759 nan 8.230 nan 0.000 0.416 395 C N 3.415 122.872 119.300 0.262 0.000 2.919 395 C HA 0.293 4.753 4.460 -0.000 0.000 0.337 395 C C 1.200 176.254 174.990 0.108 0.000 1.039 395 C CA -0.480 58.590 59.018 0.087 0.000 1.373 395 C CB -0.040 27.494 27.740 -0.343 0.000 1.843 395 C HN 1.101 nan 8.230 nan 0.000 0.493 396 H N 3.668 122.764 119.070 0.043 0.000 2.319 396 H HA -0.115 4.440 4.556 -0.000 0.000 0.299 396 H C 1.297 176.615 175.328 -0.016 0.000 1.092 396 H CA 2.012 58.075 56.048 0.025 0.000 1.302 396 H CB 0.419 30.203 29.762 0.037 0.000 1.373 396 H HN 0.797 nan 8.280 nan 0.000 0.497 397 N N 0.788 119.478 118.700 -0.015 0.000 2.466 397 N HA 0.094 4.834 4.740 -0.000 0.000 0.251 397 N C 0.113 175.520 175.510 -0.173 0.000 1.164 397 N CA 0.304 53.273 53.050 -0.135 0.000 0.888 397 N CB 0.075 38.453 38.487 -0.181 0.000 1.177 397 N HN 0.243 nan 8.380 nan 0.000 0.498 398 G N 0.230 108.933 108.800 -0.161 0.000 2.511 398 G HA2 0.497 4.457 3.960 -0.000 0.000 0.316 398 G HA3 0.497 4.457 3.960 -0.000 0.000 0.316 398 G C -0.350 174.551 174.900 0.002 0.000 1.210 398 G CA -0.725 44.225 45.100 -0.250 0.000 0.969 398 G HN 0.528 nan 8.290 nan 0.000 0.492 399 N N -2.010 116.766 118.700 0.127 0.000 2.629 399 N HA 0.302 5.042 4.740 -0.000 0.000 0.279 399 N C 0.499 176.155 175.510 0.243 0.000 1.344 399 N CA -1.007 52.155 53.050 0.187 0.000 0.789 399 N CB 1.934 40.538 38.487 0.195 0.000 1.508 399 N HN 0.334 nan 8.380 nan 0.000 0.516 400 K N -0.332 120.175 120.400 0.180 0.000 2.147 400 K HA 0.030 4.350 4.320 -0.000 0.000 0.205 400 K C 1.569 178.248 176.600 0.132 0.000 1.049 400 K CA 1.203 57.575 56.287 0.141 0.000 0.936 400 K CB -0.048 32.516 32.500 0.107 0.000 0.722 400 K HN 0.418 nan 8.250 nan 0.000 0.446 401 R N -0.741 119.875 120.500 0.193 0.000 2.066 401 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 401 R C 1.970 178.341 176.300 0.118 0.000 1.131 401 R CA 1.668 57.906 56.100 0.229 0.000 0.955 401 R CB -0.386 30.142 30.300 0.379 0.000 0.851 401 R HN 0.334 nan 8.270 nan 0.000 0.432 402 W N 2.403 123.602 121.300 -0.168 0.000 2.338 402 W HA -0.234 4.426 4.660 -0.000 0.000 0.304 402 W C 2.059 178.308 176.519 -0.450 0.000 1.212 402 W CA 1.606 58.461 57.345 -0.816 0.000 1.264 402 W CB -0.075 28.997 29.460 -0.647 0.000 1.142 402 W HN -0.063 nan 8.180 nan 0.000 0.512 403 K N 0.522 120.805 120.400 -0.194 0.000 2.097 403 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 403 K C 2.090 178.488 176.600 -0.336 0.000 1.049 403 K CA 1.469 57.564 56.287 -0.320 0.000 0.933 403 K CB -0.250 32.259 32.500 0.016 0.000 0.717 403 K HN 0.007 nan 8.250 nan 0.000 0.442 404 K N 0.258 120.542 120.400 -0.194 0.000 2.097 404 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 404 K C 2.171 178.668 176.600 -0.173 0.000 1.050 404 K CA 1.120 57.330 56.287 -0.128 0.000 0.938 404 K CB -0.223 32.259 32.500 -0.030 0.000 0.718 404 K HN 0.238 nan 8.250 nan 0.000 0.442 405 A N 1.231 123.906 122.820 -0.243 0.000 1.908 405 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 405 A C 2.464 179.872 177.584 -0.293 0.000 1.181 405 A CA 1.667 53.583 52.037 -0.203 0.000 0.627 405 A CB -0.640 18.235 19.000 -0.209 0.000 0.818 405 A HN 0.073 nan 8.150 nan 0.000 0.445 406 V N 0.146 119.718 119.914 -0.570 0.000 2.379 406 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 406 V C 2.110 178.046 176.094 -0.263 0.000 1.044 406 V CA 2.246 64.256 62.300 -0.483 0.000 1.036 406 V CB -0.871 30.464 31.823 -0.814 0.000 0.664 406 V HN 0.486 nan 8.190 nan 0.000 0.453 407 D N 0.374 120.626 120.400 -0.246 0.000 2.178 407 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 407 D C 2.164 178.409 176.300 -0.092 0.000 0.980 407 D CA 1.468 55.380 54.000 -0.146 0.000 0.842 407 D CB -0.208 40.516 40.800 -0.127 0.000 0.948 407 D HN 0.422 nan 8.370 nan 0.000 0.472 408 A N 0.309 123.080 122.820 -0.081 0.000 1.855 408 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 408 A C 2.250 179.827 177.584 -0.012 0.000 1.191 408 A CA 0.823 52.840 52.037 -0.033 0.000 0.613 408 A CB -0.743 18.251 19.000 -0.011 0.000 0.829 408 A HN 0.211 nan 8.150 nan 0.000 0.442 409 I N -0.264 120.303 120.570 -0.005 0.000 2.315 409 I HA -0.280 3.889 4.170 -0.000 0.000 0.251 409 I C 2.160 178.277 176.117 -0.000 0.000 1.125 409 I CA 1.148 62.468 61.300 0.033 0.000 1.392 409 I CB -0.282 37.758 38.000 0.066 0.000 1.065 409 I HN 0.296 nan 8.210 nan 0.000 0.424 410 L N 0.057 121.262 121.223 -0.030 0.000 2.313 410 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 410 L C 2.641 179.495 176.870 -0.026 0.000 1.119 410 L CA 0.776 55.599 54.840 -0.028 0.000 0.809 410 L CB -0.445 41.587 42.059 -0.045 0.000 0.933 410 L HN 0.190 nan 8.230 nan 0.000 0.449 411 A N -0.154 122.650 122.820 -0.026 0.000 2.021 411 A HA 0.120 4.439 4.320 -0.000 0.000 0.216 411 A C 2.227 179.799 177.584 -0.020 0.000 1.163 411 A CA 0.976 52.997 52.037 -0.026 0.000 0.676 411 A CB -0.340 18.645 19.000 -0.025 0.000 0.818 411 A HN 0.298 nan 8.150 nan 0.000 0.453 412 A N -0.843 121.975 122.820 -0.005 0.000 2.261 412 A HA 0.437 4.757 4.320 -0.000 0.000 0.208 412 A C 0.861 178.444 177.584 -0.002 0.000 1.223 412 A CA 0.880 52.921 52.037 0.006 0.000 0.833 412 A CB -0.480 18.540 19.000 0.032 0.000 0.830 412 A HN 0.523 nan 8.150 nan 0.000 0.483 413 S N -0.894 114.794 115.700 -0.020 0.000 2.541 413 S HA 0.551 5.021 4.470 -0.000 0.000 0.271 413 S C -2.666 171.863 174.600 -0.118 0.000 1.133 413 S CA -0.903 57.276 58.200 -0.035 0.000 0.876 413 S CB 1.758 64.984 63.200 0.043 0.000 1.105 413 S HN 0.026 nan 8.310 nan 0.000 0.470 414 P HA 0.138 nan 4.420 nan 0.000 0.245 414 P C -0.020 176.988 177.300 -0.487 0.000 1.212 414 P CA 0.369 63.228 63.100 -0.402 0.000 0.774 414 P CB -0.205 31.189 31.700 -0.511 0.000 0.999 415 Y N -0.672 119.600 120.300 -0.047 0.000 2.458 415 Y HA 0.394 4.944 4.550 -0.000 0.000 0.256 415 Y C 2.308 178.173 175.900 -0.059 0.000 1.159 415 Y CA 0.196 58.256 58.100 -0.067 0.000 1.261 415 Y CB -0.255 38.149 38.460 -0.094 0.000 1.119 415 Y HN -0.030 nan 8.280 nan 0.000 0.524 416 G N -0.810 108.012 108.800 0.036 0.000 3.434 416 G HA2 0.041 4.001 3.960 -0.000 0.000 0.258 416 G HA3 0.041 4.001 3.960 -0.000 0.000 0.258 416 G C 1.297 176.188 174.900 -0.015 0.000 1.128 416 G CA -0.129 44.978 45.100 0.011 0.000 0.792 416 G HN 0.084 nan 8.290 nan 0.000 0.539 417 K N 1.219 121.605 120.400 -0.024 0.000 2.009 417 K HA -0.039 4.281 4.320 -0.000 0.000 0.210 417 K C 1.852 178.437 176.600 -0.025 0.000 1.049 417 K CA 1.090 57.358 56.287 -0.031 0.000 0.929 417 K CB -0.040 32.438 32.500 -0.037 0.000 0.714 417 K HN 0.175 nan 8.250 nan 0.000 0.440 418 N N 0.368 119.056 118.700 -0.019 0.000 2.383 418 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 418 N C -0.223 175.270 175.510 -0.028 0.000 1.141 418 N CA 0.219 53.256 53.050 -0.022 0.000 0.851 418 N CB 0.305 38.776 38.487 -0.026 0.000 0.976 418 N HN 0.103 nan 8.380 nan 0.000 0.465 419 A N 0.534 123.341 122.820 -0.022 0.000 2.322 419 A HA 0.597 4.917 4.320 -0.000 0.000 0.269 419 A C 0.118 177.687 177.584 -0.024 0.000 1.094 419 A CA 0.093 52.122 52.037 -0.014 0.000 0.807 419 A CB 0.611 19.609 19.000 -0.003 0.000 1.047 419 A HN 0.068 nan 8.150 nan 0.000 0.487 420 T N 0.875 115.426 114.554 -0.004 0.000 2.971 420 T HA 0.469 4.819 4.350 -0.000 0.000 0.304 420 T C -0.864 173.722 174.700 -0.190 0.000 1.038 420 T CA -0.379 61.637 62.100 -0.139 0.000 1.007 420 T CB 1.362 70.127 68.868 -0.171 0.000 1.055 420 T HN 0.485 nan 8.240 nan 0.000 0.451 421 V N 3.799 123.554 119.914 -0.264 0.000 2.427 421 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 421 V C -1.135 174.831 176.094 -0.213 0.000 1.034 421 V CA -0.680 61.564 62.300 -0.094 0.000 0.893 421 V CB 0.594 32.384 31.823 -0.055 0.000 0.982 421 V HN 0.810 nan 8.190 nan 0.000 0.452 422 Y N 4.795 125.224 120.300 0.215 0.000 2.446 422 Y HA 0.767 5.317 4.550 -0.000 0.000 0.345 422 Y C 0.187 176.204 175.900 0.195 0.000 0.984 422 Y CA -0.953 57.257 58.100 0.182 0.000 1.058 422 Y CB 1.875 40.434 38.460 0.165 0.000 1.220 422 Y HN 0.618 nan 8.280 nan 0.000 0.455 423 I N -1.531 119.216 120.570 0.294 0.000 2.828 423 I HA 0.863 5.033 4.170 -0.000 0.000 0.302 423 I C 0.685 176.900 176.117 0.164 0.000 1.101 423 I CA -1.099 60.334 61.300 0.222 0.000 1.031 423 I CB 2.318 40.449 38.000 0.218 0.000 1.231 423 I HN 0.735 nan 8.210 nan 0.000 0.427 424 G N 2.592 111.504 108.800 0.186 0.000 2.168 424 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 424 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 424 G C -0.077 174.883 174.900 0.101 0.000 0.997 424 G CA 0.097 45.328 45.100 0.219 0.000 0.708 424 G HN 0.636 nan 8.290 nan 0.000 0.520 425 K N 0.756 121.139 120.400 -0.028 0.000 2.208 425 K HA 0.592 4.912 4.320 -0.000 0.000 0.247 425 K C 0.168 176.574 176.600 -0.322 0.000 0.953 425 K CA -0.296 55.853 56.287 -0.229 0.000 0.837 425 K CB 1.837 34.107 32.500 -0.384 0.000 1.131 425 K HN 0.442 nan 8.250 nan 0.000 0.431 426 D N -0.597 119.723 120.400 -0.134 0.000 2.569 426 D HA 0.219 4.859 4.640 -0.000 0.000 0.266 426 D C 1.040 177.180 176.300 -0.267 0.000 1.164 426 D CA -0.718 53.041 54.000 -0.403 0.000 1.071 426 D CB 0.457 41.028 40.800 -0.382 0.000 1.183 426 D HN 0.261 nan 8.370 nan 0.000 0.613 427 L N -0.875 120.177 121.223 -0.286 0.000 2.465 427 L HA 0.032 4.371 4.340 -0.000 0.000 0.224 427 L C 1.719 178.495 176.870 -0.157 0.000 1.145 427 L CA 0.310 54.970 54.840 -0.299 0.000 0.834 427 L CB -0.247 41.622 42.059 -0.317 0.000 0.944 427 L HN 0.491 nan 8.230 nan 0.000 0.451 428 W N 0.565 121.679 121.300 -0.310 0.000 2.453 428 W HA -0.125 4.535 4.660 -0.000 0.000 0.289 428 W C 2.220 178.576 176.519 -0.272 0.000 1.215 428 W CA 1.159 58.343 57.345 -0.268 0.000 1.297 428 W CB -0.040 29.232 29.460 -0.314 0.000 1.113 428 W HN 0.283 nan 8.180 nan 0.000 0.551 429 H N 0.011 118.921 119.070 -0.267 0.000 2.293 429 H HA -0.229 4.327 4.556 -0.000 0.000 0.300 429 H C 2.117 177.258 175.328 -0.311 0.000 1.082 429 H CA 2.155 57.940 56.048 -0.439 0.000 1.308 429 H CB -0.576 28.738 29.762 -0.748 0.000 1.375 429 H HN 0.019 nan 8.280 nan 0.000 0.495 430 L N 1.295 122.400 121.223 -0.196 0.000 2.043 430 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 430 L C 2.428 179.143 176.870 -0.258 0.000 1.075 430 L CA 1.639 56.334 54.840 -0.242 0.000 0.752 430 L CB -0.556 41.324 42.059 -0.299 0.000 0.891 430 L HN 0.138 nan 8.230 nan 0.000 0.432 431 R N -1.006 119.311 120.500 -0.305 0.000 2.096 431 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 431 R C 2.231 178.402 176.300 -0.215 0.000 1.139 431 R CA 1.968 57.873 56.100 -0.325 0.000 0.952 431 R CB -0.387 29.596 30.300 -0.529 0.000 0.854 431 R HN 0.470 nan 8.270 nan 0.000 0.436 432 S N 0.965 116.533 115.700 -0.220 0.000 2.359 432 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 432 S C 1.930 176.494 174.600 -0.061 0.000 1.035 432 S CA 1.455 59.611 58.200 -0.073 0.000 1.018 432 S CB -0.266 62.925 63.200 -0.016 0.000 0.876 432 S HN 0.291 nan 8.310 nan 0.000 0.448 433 L N 1.539 122.663 121.223 -0.166 0.000 2.013 433 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 433 L C 2.479 179.172 176.870 -0.295 0.000 1.073 433 L CA 1.468 56.094 54.840 -0.356 0.000 0.753 433 L CB -1.021 40.606 42.059 -0.719 0.000 0.890 433 L HN 0.358 nan 8.230 nan 0.000 0.432 434 V N -4.624 115.140 119.914 -0.250 0.000 3.078 434 V HA -0.183 3.937 4.120 -0.000 0.000 0.265 434 V C 2.025 178.012 176.094 -0.178 0.000 1.122 434 V CA 1.225 63.430 62.300 -0.158 0.000 1.141 434 V CB -0.813 30.894 31.823 -0.194 0.000 0.735 434 V HN 0.172 nan 8.190 nan 0.000 0.498 435 F N 2.265 122.144 119.950 -0.118 0.000 2.274 435 F HA 0.081 4.608 4.527 -0.000 0.000 0.288 435 F C 2.838 178.578 175.800 -0.100 0.000 1.069 435 F CA 1.744 59.665 58.000 -0.132 0.000 1.343 435 F CB -0.809 38.050 39.000 -0.236 0.000 1.089 435 F HN 0.310 nan 8.300 nan 0.000 0.517 436 T N -3.112 111.501 114.554 0.099 0.000 2.942 436 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 436 T C 0.513 175.255 174.700 0.069 0.000 1.062 436 T CA 1.193 63.317 62.100 0.040 0.000 1.139 436 T CB -0.180 68.678 68.868 -0.016 0.000 0.883 436 T HN 0.043 nan 8.240 nan 0.000 0.468 437 D N 0.836 121.300 120.400 0.107 0.000 2.443 437 D HA 0.229 4.869 4.640 -0.000 0.000 0.281 437 D C -0.716 175.727 176.300 0.238 0.000 1.210 437 D CA -0.542 53.564 54.000 0.177 0.000 0.875 437 D CB 0.548 41.505 40.800 0.261 0.000 1.125 437 D HN 0.250 nan 8.370 nan 0.000 0.503 438 K N 3.298 123.782 120.400 0.140 0.000 2.453 438 K HA 0.137 4.457 4.320 -0.000 0.000 0.280 438 K C -2.176 174.461 176.600 0.061 0.000 1.045 438 K CA -0.754 55.593 56.287 0.100 0.000 1.059 438 K CB 0.583 33.138 32.500 0.092 0.000 0.901 438 K HN 0.275 nan 8.250 nan 0.000 0.475 439 P HA 0.195 nan 4.420 nan 0.000 0.287 439 P C -0.539 176.707 177.300 -0.091 0.000 1.296 439 P CA -0.440 62.655 63.100 -0.008 0.000 0.811 439 P CB 0.999 32.748 31.700 0.083 0.000 1.211 440 D N -1.144 119.157 120.400 -0.164 0.000 2.216 440 D HA 0.119 4.759 4.640 -0.000 0.000 0.208 440 D C 0.255 176.215 176.300 -0.567 0.000 0.960 440 D CA 1.485 55.306 54.000 -0.298 0.000 0.861 440 D CB 0.100 40.809 40.800 -0.152 0.000 0.985 440 D HN 0.273 nan 8.370 nan 0.000 0.493 441 F N -0.787 119.122 119.950 -0.068 0.000 2.664 441 F HA 0.464 4.991 4.527 -0.000 0.000 0.317 441 F C -0.205 175.756 175.800 0.268 0.000 1.108 441 F CA -0.929 57.156 58.000 0.141 0.000 0.957 441 F CB 1.559 40.747 39.000 0.313 0.000 1.365 441 F HN -0.426 nan 8.300 nan 0.000 0.475 442 M N 2.198 122.077 119.600 0.466 0.000 2.465 442 M HA 0.603 5.083 4.480 -0.000 0.000 0.316 442 M C -1.478 174.981 176.300 0.265 0.000 1.121 442 M CA -0.476 55.061 55.300 0.395 0.000 0.934 442 M CB 2.565 35.407 32.600 0.402 0.000 1.692 442 M HN 0.350 nan 8.290 nan 0.000 0.444 443 I N 1.857 122.492 120.570 0.108 0.000 2.418 443 I HA 0.831 5.001 4.170 -0.000 0.000 0.287 443 I C 0.146 175.946 176.117 -0.529 0.000 1.008 443 I CA -0.417 60.817 61.300 -0.110 0.000 1.104 443 I CB 1.852 39.789 38.000 -0.105 0.000 1.264 443 I HN 0.878 nan 8.210 nan 0.000 0.438 444 G N 4.592 112.978 108.800 -0.691 0.000 2.348 444 G HA2 0.192 4.152 3.960 -0.000 0.000 0.296 444 G HA3 0.192 4.152 3.960 -0.000 0.000 0.296 444 G C -1.671 172.889 174.900 -0.568 0.000 1.258 444 G CA -0.744 43.539 45.100 -1.362 0.000 0.868 444 G HN 0.623 nan 8.290 nan 0.000 0.488 445 N N -0.766 117.745 118.700 -0.315 0.000 2.431 445 N HA 0.409 5.149 4.740 -0.000 0.000 0.289 445 N C 1.292 176.782 175.510 -0.032 0.000 1.277 445 N CA 0.326 53.299 53.050 -0.128 0.000 0.972 445 N CB 0.467 38.870 38.487 -0.141 0.000 1.143 445 N HN 0.282 nan 8.380 nan 0.000 0.578 446 S N -1.573 113.970 115.700 -0.261 0.000 2.420 446 S HA -0.146 4.324 4.470 -0.000 0.000 0.237 446 S C 1.150 175.643 174.600 -0.178 0.000 1.023 446 S CA 0.993 59.028 58.200 -0.275 0.000 0.991 446 S CB -0.779 62.166 63.200 -0.425 0.000 0.792 446 S HN 0.499 nan 8.310 nan 0.000 0.488 447 Y N 1.323 121.682 120.300 0.098 0.000 2.569 447 Y HA 0.035 4.585 4.550 -0.000 0.000 0.293 447 Y C 2.339 178.354 175.900 0.191 0.000 1.144 447 Y CA 0.264 58.479 58.100 0.191 0.000 1.321 447 Y CB -0.885 37.717 38.460 0.236 0.000 0.982 447 Y HN 0.318 nan 8.280 nan 0.000 0.558 448 G N 0.144 109.177 108.800 0.389 0.000 2.880 448 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.209 448 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.209 448 G C 1.672 176.659 174.900 0.145 0.000 1.157 448 G CA 0.308 45.628 45.100 0.367 0.000 0.779 448 G HN 0.503 nan 8.290 nan 0.000 0.539 449 K N -0.254 120.108 120.400 -0.063 0.000 2.209 449 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 449 K C 1.623 178.116 176.600 -0.178 0.000 1.048 449 K CA 0.889 57.060 56.287 -0.194 0.000 0.940 449 K CB -0.395 31.875 32.500 -0.383 0.000 0.729 449 K HN 0.199 nan 8.250 nan 0.000 0.451 450 F N 1.702 121.729 119.950 0.128 0.000 2.325 450 F HA 0.118 4.645 4.527 -0.000 0.000 0.299 450 F C 1.993 177.855 175.800 0.103 0.000 1.090 450 F CA 0.300 58.371 58.000 0.119 0.000 1.392 450 F CB -0.253 38.835 39.000 0.146 0.000 1.053 450 F HN -0.080 nan 8.300 nan 0.000 0.521 451 I N -0.513 120.183 120.570 0.210 0.000 2.500 451 I HA -0.231 3.939 4.170 -0.000 0.000 0.252 451 I C 2.472 178.614 176.117 0.042 0.000 1.142 451 I CA 0.962 62.313 61.300 0.086 0.000 1.451 451 I CB -0.463 37.535 38.000 -0.004 0.000 1.093 451 I HN 0.184 nan 8.210 nan 0.000 0.430 452 Q N 1.408 121.245 119.800 0.061 0.000 2.079 452 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 452 Q C 2.487 178.528 176.000 0.069 0.000 0.974 452 Q CA 1.240 57.065 55.803 0.037 0.000 0.840 452 Q CB -0.067 28.692 28.738 0.036 0.000 0.898 452 Q HN 0.282 nan 8.270 nan 0.000 0.430 453 R N 0.400 120.963 120.500 0.106 0.000 2.096 453 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 453 R C 1.028 177.441 176.300 0.189 0.000 1.127 453 R CA 1.836 58.014 56.100 0.131 0.000 0.968 453 R CB -0.233 30.160 30.300 0.155 0.000 0.861 453 R HN 0.370 nan 8.270 nan 0.000 0.440 454 D N -0.026 120.515 120.400 0.236 0.000 2.097 454 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 454 D C 1.909 178.511 176.300 0.503 0.000 0.984 454 D CA 2.279 56.517 54.000 0.396 0.000 0.826 454 D CB -0.433 40.596 40.800 0.382 0.000 0.973 454 D HN 0.455 nan 8.370 nan 0.000 0.460 455 T N -0.308 114.347 114.554 0.168 0.000 2.821 455 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 455 T C 2.031 176.877 174.700 0.243 0.000 1.046 455 T CA 0.676 62.798 62.100 0.037 0.000 1.139 455 T CB -0.493 68.210 68.868 -0.274 0.000 0.871 455 T HN 0.053 nan 8.240 nan 0.000 0.454 456 L N 0.982 122.318 121.223 0.189 0.000 2.141 456 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 456 L C 2.380 179.382 176.870 0.220 0.000 1.094 456 L CA 1.763 56.707 54.840 0.174 0.000 0.763 456 L CB -1.041 41.085 42.059 0.112 0.000 0.908 456 L HN 0.389 nan 8.230 nan 0.000 0.437 457 H N -0.073 119.078 119.070 0.136 0.000 2.421 457 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 457 H C 2.223 177.603 175.328 0.086 0.000 1.087 457 H CA 2.041 58.093 56.048 0.008 0.000 1.330 457 H CB 0.042 29.681 29.762 -0.205 0.000 1.388 457 H HN 0.400 nan 8.280 nan 0.000 0.526 458 K N -0.473 120.081 120.400 0.257 0.000 2.217 458 K HA 0.066 4.386 4.320 -0.000 0.000 0.202 458 K C -0.039 176.729 176.600 0.281 0.000 1.051 458 K CA 0.836 57.278 56.287 0.258 0.000 0.952 458 K CB 0.141 32.849 32.500 0.346 0.000 0.736 458 K HN 0.454 nan 8.250 nan 0.000 0.453 459 G N 0.053 109.057 108.800 0.340 0.000 2.352 459 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.303 459 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.303 459 G C -0.741 174.282 174.900 0.205 0.000 1.593 459 G CA -0.469 44.821 45.100 0.317 0.000 0.963 459 G HN -0.053 nan 8.290 nan 0.000 0.685 460 K N 0.413 120.854 120.400 0.068 0.000 2.152 460 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 460 K C 2.285 178.841 176.600 -0.074 0.000 1.048 460 K CA 2.426 58.715 56.287 0.003 0.000 0.933 460 K CB 0.134 32.623 32.500 -0.018 0.000 0.721 460 K HN 0.582 nan 8.250 nan 0.000 0.447 461 E N -0.761 119.316 120.200 -0.205 0.000 2.482 461 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 461 E C 0.862 177.181 176.600 -0.467 0.000 1.047 461 E CA 0.695 56.863 56.400 -0.387 0.000 0.869 461 E CB -0.265 29.101 29.700 -0.557 0.000 0.836 461 E HN 0.354 nan 8.360 nan 0.000 0.520 462 F N 1.306 121.257 119.950 0.002 0.000 2.720 462 F HA 0.225 4.752 4.527 -0.000 0.000 0.301 462 F C 1.043 176.811 175.800 -0.054 0.000 1.103 462 F CA -0.742 57.260 58.000 0.003 0.000 1.291 462 F CB 0.189 39.245 39.000 0.093 0.000 1.086 462 F HN -0.084 nan 8.300 nan 0.000 0.592 463 E N 1.811 122.062 120.200 0.086 0.000 2.465 463 E HA 0.133 4.483 4.350 -0.000 0.000 0.260 463 E C -0.820 175.731 176.600 -0.082 0.000 0.980 463 E CA 0.021 56.426 56.400 0.008 0.000 0.927 463 E CB 0.758 30.460 29.700 0.003 0.000 0.934 463 E HN -0.068 nan 8.360 nan 0.000 0.459 464 V N 7.832 127.689 119.914 -0.096 0.000 2.275 464 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 464 V C -2.174 173.874 176.094 -0.077 0.000 1.028 464 V CA -1.852 60.371 62.300 -0.128 0.000 0.810 464 V CB 0.966 32.730 31.823 -0.098 0.000 1.043 464 V HN 0.760 nan 8.190 nan 0.000 0.453 465 P HA 0.100 nan 4.420 nan 0.000 0.267 465 P C -0.666 176.731 177.300 0.161 0.000 1.200 465 P CA -0.149 62.957 63.100 0.011 0.000 0.772 465 P CB 0.617 32.316 31.700 -0.000 0.000 0.855 466 L N 4.086 125.408 121.223 0.165 0.000 2.317 466 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 466 L C -1.002 175.963 176.870 0.159 0.000 1.024 466 L CA -0.272 54.677 54.840 0.182 0.000 0.810 466 L CB 0.768 42.910 42.059 0.139 0.000 1.240 466 L HN 0.224 nan 8.230 nan 0.000 0.427 467 I N 4.989 125.643 120.570 0.141 0.000 2.354 467 I HA 0.404 4.574 4.170 -0.000 0.000 0.286 467 I C 0.048 176.168 176.117 0.006 0.000 1.007 467 I CA -0.612 60.728 61.300 0.067 0.000 1.167 467 I CB 1.093 39.117 38.000 0.040 0.000 1.320 467 I HN 0.542 nan 8.210 nan 0.000 0.458 468 R N 7.021 127.519 120.500 -0.003 0.000 2.345 468 R HA 0.470 4.810 4.340 -0.000 0.000 0.331 468 R C -0.906 175.396 176.300 0.002 0.000 1.067 468 R CA 0.483 56.564 56.100 -0.031 0.000 0.962 468 R CB 0.081 30.360 30.300 -0.035 0.000 0.987 468 R HN 0.545 nan 8.270 nan 0.000 0.451 469 I N 2.468 123.032 120.570 -0.009 0.000 2.610 469 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 469 I C 0.422 176.546 176.117 0.012 0.000 1.163 469 I CA -0.608 60.763 61.300 0.117 0.000 1.044 469 I CB 2.182 40.293 38.000 0.186 0.000 1.251 469 I HN 0.828 nan 8.210 nan 0.000 0.424 470 G N 5.149 113.924 108.800 -0.041 0.000 2.250 470 G HA2 0.098 4.058 3.960 -0.000 0.000 0.252 470 G HA3 0.098 4.058 3.960 -0.000 0.000 0.252 470 G C -2.033 172.715 174.900 -0.253 0.000 1.325 470 G CA -0.654 44.212 45.100 -0.391 0.000 1.091 470 G HN 0.587 nan 8.290 nan 0.000 0.476 471 F N 2.532 122.247 119.950 -0.391 0.000 2.581 471 F HA 0.784 5.311 4.527 -0.000 0.000 0.311 471 F C -2.414 173.191 175.800 -0.325 0.000 1.113 471 F CA -1.676 56.060 58.000 -0.441 0.000 0.935 471 F CB 2.754 41.517 39.000 -0.396 0.000 1.232 471 F HN 0.541 nan 8.300 nan 0.000 0.445 472 P HA 0.530 nan 4.420 nan 0.000 0.285 472 P C -1.254 175.417 177.300 -1.048 0.000 1.285 472 P CA -0.483 61.611 63.100 -1.676 0.000 0.854 472 P CB 2.786 32.989 31.700 -2.496 0.000 1.180 473 I N 1.424 121.619 120.570 -0.626 0.000 2.466 473 I HA 0.209 4.379 4.170 -0.000 0.000 0.279 473 I C 0.280 176.148 176.117 -0.415 0.000 1.033 473 I CA -0.416 60.597 61.300 -0.479 0.000 1.123 473 I CB 0.943 38.794 38.000 -0.247 0.000 1.237 473 I HN 0.154 nan 8.210 nan 0.000 0.460 474 F N 2.230 122.010 119.950 -0.284 0.000 2.559 474 F HA 0.020 4.547 4.527 -0.000 0.000 0.286 474 F C 1.896 177.600 175.800 -0.161 0.000 1.108 474 F CA -0.061 57.789 58.000 -0.250 0.000 1.436 474 F CB -0.208 38.627 39.000 -0.276 0.000 1.130 474 F HN 0.478 nan 8.300 nan 0.000 0.584 475 D N -0.423 119.999 120.400 0.036 0.000 2.336 475 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 475 D C 0.303 176.622 176.300 0.032 0.000 1.120 475 D CA 0.239 54.254 54.000 0.025 0.000 0.839 475 D CB 0.021 40.804 40.800 -0.028 0.000 0.932 475 D HN -0.054 nan 8.370 nan 0.000 0.509 476 R N -0.188 120.338 120.500 0.044 0.000 2.668 476 R HA 0.363 4.703 4.340 -0.000 0.000 0.272 476 R C -0.774 175.586 176.300 0.100 0.000 1.019 476 R CA -0.550 55.585 56.100 0.058 0.000 0.894 476 R CB 1.177 31.475 30.300 -0.002 0.000 1.228 476 R HN 0.268 nan 8.270 nan 0.000 0.460 477 H N 2.045 121.001 119.070 -0.190 0.000 2.463 477 H HA 0.245 4.801 4.556 -0.000 0.000 0.332 477 H C -0.009 175.101 175.328 -0.362 0.000 1.127 477 H CA -0.519 55.283 56.048 -0.410 0.000 1.238 477 H CB 1.183 30.541 29.762 -0.674 0.000 1.478 477 H HN 0.633 nan 8.280 nan 0.000 0.499 478 H N 0.811 119.979 119.070 0.162 0.000 3.179 478 H HA -0.176 4.380 4.556 -0.000 0.000 0.250 478 H C 1.145 176.430 175.328 -0.071 0.000 1.142 478 H CA 0.612 56.688 56.048 0.045 0.000 1.165 478 H CB -1.470 28.316 29.762 0.040 0.000 1.253 478 H HN 0.641 nan 8.280 nan 0.000 0.325 479 L N 1.314 122.570 121.223 0.055 0.000 2.478 479 L HA -0.069 4.271 4.340 -0.000 0.000 0.223 479 L C 2.615 179.530 176.870 0.076 0.000 1.140 479 L CA 1.079 55.955 54.840 0.060 0.000 0.842 479 L CB -0.354 41.740 42.059 0.057 0.000 0.953 479 L HN 0.484 nan 8.230 nan 0.000 0.452 480 H N -0.337 118.701 119.070 -0.053 0.000 2.556 480 H HA 0.005 4.561 4.556 -0.000 0.000 0.268 480 H C 1.424 176.862 175.328 0.183 0.000 0.996 480 H CA 0.207 56.207 56.048 -0.081 0.000 1.157 480 H CB -0.072 29.494 29.762 -0.327 0.000 1.355 480 H HN 0.362 nan 8.280 nan 0.000 0.597 481 R N 0.777 121.088 120.500 -0.315 0.000 2.317 481 R HA 0.171 4.511 4.340 -0.000 0.000 0.208 481 R C 0.486 176.801 176.300 0.023 0.000 0.914 481 R CA -0.097 55.910 56.100 -0.156 0.000 1.060 481 R CB 0.516 30.687 30.300 -0.215 0.000 1.015 481 R HN 0.072 nan 8.270 nan 0.000 0.498 482 S N 0.605 116.376 115.700 0.119 0.000 2.612 482 S HA 0.114 4.584 4.470 -0.000 0.000 0.253 482 S C 0.356 174.937 174.600 -0.031 0.000 1.346 482 S CA 0.161 58.390 58.200 0.048 0.000 0.976 482 S CB 0.962 64.185 63.200 0.038 0.000 0.949 482 S HN 0.065 nan 8.310 nan 0.000 0.584 483 T N 0.797 115.245 114.554 -0.177 0.000 2.879 483 T HA 0.452 4.802 4.350 -0.000 0.000 0.290 483 T C 0.779 175.286 174.700 -0.321 0.000 0.993 483 T CA -0.724 61.248 62.100 -0.213 0.000 0.975 483 T CB 1.612 70.402 68.868 -0.130 0.000 0.981 483 T HN 0.713 nan 8.240 nan 0.000 0.439 484 T N 0.275 114.609 114.554 -0.366 0.000 2.990 484 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 484 T C 0.699 175.258 174.700 -0.236 0.000 1.041 484 T CA -0.161 61.758 62.100 -0.301 0.000 1.010 484 T CB 0.022 68.757 68.868 -0.222 0.000 1.003 484 T HN 0.356 nan 8.240 nan 0.000 0.499 485 L N 1.592 122.681 121.223 -0.224 0.000 2.421 485 L HA 0.608 4.948 4.340 -0.000 0.000 0.263 485 L C 1.476 178.191 176.870 -0.258 0.000 1.122 485 L CA -0.018 54.679 54.840 -0.238 0.000 0.804 485 L CB 0.186 42.095 42.059 -0.250 0.000 1.150 485 L HN 0.555 nan 8.230 nan 0.000 0.457 486 G N 0.150 108.765 108.800 -0.309 0.000 2.641 486 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 486 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 486 G C 0.041 174.756 174.900 -0.309 0.000 1.315 486 G CA 0.484 45.360 45.100 -0.373 0.000 0.907 486 G HN 0.580 nan 8.290 nan 0.000 0.572 487 Y N 0.312 120.550 120.300 -0.104 0.000 2.242 487 Y HA 0.044 4.594 4.550 -0.000 0.000 0.291 487 Y C 2.837 178.672 175.900 -0.109 0.000 1.137 487 Y CA 1.844 59.883 58.100 -0.101 0.000 1.181 487 Y CB -0.512 37.920 38.460 -0.047 0.000 0.989 487 Y HN 0.779 nan 8.280 nan 0.000 0.527 488 E N -0.110 120.116 120.200 0.044 0.000 2.051 488 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 488 E C 2.515 179.072 176.600 -0.072 0.000 0.991 488 E CA 1.278 57.673 56.400 -0.009 0.000 0.799 488 E CB -0.531 29.156 29.700 -0.021 0.000 0.748 488 E HN 0.461 nan 8.360 nan 0.000 0.449 489 G N 0.179 108.899 108.800 -0.134 0.000 2.448 489 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 489 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 489 G C 1.584 176.344 174.900 -0.233 0.000 1.135 489 G CA 0.655 45.641 45.100 -0.189 0.000 0.784 489 G HN 0.399 nan 8.290 nan 0.000 0.543 490 A N 0.597 123.244 122.820 -0.289 0.000 1.930 490 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 490 A C 2.397 179.898 177.584 -0.138 0.000 1.175 490 A CA 1.468 53.215 52.037 -0.483 0.000 0.627 490 A CB -0.301 18.352 19.000 -0.578 0.000 0.815 490 A HN 0.365 nan 8.150 nan 0.000 0.443 491 M N -1.058 118.511 119.600 -0.051 0.000 2.132 491 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 491 M C 2.438 178.739 176.300 0.000 0.000 1.065 491 M CA 1.559 56.867 55.300 0.014 0.000 1.122 491 M CB -0.320 32.286 32.600 0.010 0.000 1.365 491 M HN 0.486 nan 8.290 nan 0.000 0.411 492 Q N 0.066 119.841 119.800 -0.041 0.000 2.119 492 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 492 Q C 1.947 177.922 176.000 -0.041 0.000 0.972 492 Q CA 1.157 56.932 55.803 -0.047 0.000 0.847 492 Q CB -0.033 28.659 28.738 -0.077 0.000 0.903 492 Q HN 0.561 nan 8.270 nan 0.000 0.433 493 I N 0.364 120.910 120.570 -0.039 0.000 2.286 493 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 493 I C 2.269 178.415 176.117 0.048 0.000 1.104 493 I CA 0.705 62.003 61.300 -0.004 0.000 1.397 493 I CB -0.128 37.881 38.000 0.015 0.000 1.072 493 I HN 0.254 nan 8.210 nan 0.000 0.417 494 L N 0.303 121.607 121.223 0.135 0.000 2.046 494 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 494 L C 2.536 179.412 176.870 0.009 0.000 1.077 494 L CA 1.643 56.541 54.840 0.096 0.000 0.747 494 L CB -0.320 41.840 42.059 0.168 0.000 0.896 494 L HN 0.253 nan 8.230 nan 0.000 0.432 495 T N -1.057 113.500 114.554 0.006 0.000 2.777 495 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 495 T C 1.735 176.408 174.700 -0.046 0.000 1.040 495 T CA 1.884 63.973 62.100 -0.019 0.000 1.141 495 T CB -0.289 68.570 68.868 -0.016 0.000 0.868 495 T HN 0.407 nan 8.240 nan 0.000 0.444 496 T N 2.435 116.960 114.554 -0.048 0.000 2.746 496 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 496 T C 1.969 176.607 174.700 -0.104 0.000 1.039 496 T CA 0.874 62.936 62.100 -0.064 0.000 1.142 496 T CB -0.413 68.422 68.868 -0.055 0.000 0.866 496 T HN 0.247 nan 8.240 nan 0.000 0.444 497 L N 0.614 121.763 121.223 -0.124 0.000 2.005 497 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 497 L C 2.700 179.468 176.870 -0.171 0.000 1.072 497 L CA 0.963 55.693 54.840 -0.185 0.000 0.744 497 L CB -0.807 41.127 42.059 -0.208 0.000 0.895 497 L HN 0.136 nan 8.230 nan 0.000 0.433 498 V N 0.227 120.076 119.914 -0.108 0.000 2.295 498 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 498 V C 1.853 177.846 176.094 -0.167 0.000 1.049 498 V CA 2.325 64.566 62.300 -0.097 0.000 1.024 498 V CB -0.937 30.860 31.823 -0.042 0.000 0.648 498 V HN 0.519 nan 8.190 nan 0.000 0.447 499 N N -0.228 118.387 118.700 -0.141 0.000 2.459 499 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 499 N C 1.882 177.311 175.510 -0.135 0.000 1.046 499 N CA 0.953 53.917 53.050 -0.144 0.000 0.904 499 N CB -0.053 38.374 38.487 -0.100 0.000 0.964 499 N HN 0.356 nan 8.380 nan 0.000 0.444 500 S N 0.617 116.225 115.700 -0.153 0.000 2.377 500 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 500 S C 1.847 176.370 174.600 -0.129 0.000 1.030 500 S CA 0.410 58.532 58.200 -0.130 0.000 0.970 500 S CB 0.087 63.157 63.200 -0.216 0.000 0.830 500 S HN 0.221 nan 8.310 nan 0.000 0.473 501 I N 1.686 122.096 120.570 -0.267 0.000 2.163 501 I HA -0.122 4.048 4.170 -0.000 0.000 0.243 501 I C 2.100 178.155 176.117 -0.103 0.000 1.085 501 I CA 1.185 62.413 61.300 -0.120 0.000 1.347 501 I CB -1.489 36.452 38.000 -0.098 0.000 1.044 501 I HN 0.245 nan 8.210 nan 0.000 0.408 502 L N 0.664 121.727 121.223 -0.267 0.000 2.046 502 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 502 L C 2.605 179.361 176.870 -0.190 0.000 1.077 502 L CA 1.664 56.287 54.840 -0.361 0.000 0.747 502 L CB -1.203 40.595 42.059 -0.435 0.000 0.896 502 L HN 0.252 nan 8.230 nan 0.000 0.432 503 E N -0.242 119.894 120.200 -0.107 0.000 2.106 503 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 503 E C 2.351 178.953 176.600 0.004 0.000 0.984 503 E CA 1.058 57.430 56.400 -0.046 0.000 0.806 503 E CB -0.097 29.592 29.700 -0.019 0.000 0.750 503 E HN 0.144 nan 8.360 nan 0.000 0.458 504 R N 0.267 120.803 120.500 0.059 0.000 2.092 504 R HA 0.034 4.374 4.340 -0.000 0.000 0.231 504 R C 2.410 178.735 176.300 0.042 0.000 1.119 504 R CA 1.270 57.426 56.100 0.093 0.000 0.970 504 R CB -0.876 29.567 30.300 0.239 0.000 0.864 504 R HN 0.392 nan 8.270 nan 0.000 0.440 505 L N 0.104 121.336 121.223 0.014 0.000 2.056 505 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 505 L C 1.260 178.131 176.870 0.002 0.000 1.078 505 L CA 2.064 56.899 54.840 -0.008 0.000 0.749 505 L CB -0.470 41.542 42.059 -0.079 0.000 0.901 505 L HN 0.229 nan 8.230 nan 0.000 0.433 506 D N -0.143 120.249 120.400 -0.015 0.000 2.104 506 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 506 D C 2.043 178.423 176.300 0.133 0.000 0.994 506 D CA 1.409 55.449 54.000 0.066 0.000 0.830 506 D CB 0.007 40.805 40.800 -0.003 0.000 0.959 506 D HN 0.352 nan 8.370 nan 0.000 0.452 507 E N 0.386 120.618 120.200 0.054 0.000 2.085 507 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 507 E C 1.514 178.108 176.600 -0.009 0.000 0.994 507 E CA 1.067 57.481 56.400 0.023 0.000 0.801 507 E CB 0.047 29.755 29.700 0.015 0.000 0.743 507 E HN 0.363 nan 8.360 nan 0.000 0.453 508 E N -0.649 119.545 120.200 -0.010 0.000 2.347 508 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 508 E C 1.141 177.702 176.600 -0.065 0.000 1.008 508 E CA 1.265 57.643 56.400 -0.037 0.000 0.852 508 E CB 0.237 29.918 29.700 -0.032 0.000 0.783 508 E HN 0.272 nan 8.360 nan 0.000 0.505 509 T N -2.347 112.179 114.554 -0.048 0.000 3.266 509 T HA 0.294 4.644 4.350 -0.000 0.000 0.278 509 T C 1.111 175.640 174.700 -0.285 0.000 1.010 509 T CA -0.517 61.520 62.100 -0.105 0.000 0.909 509 T CB 0.393 69.257 68.868 -0.008 0.000 1.122 509 T HN -0.109 nan 8.240 nan 0.000 0.536 510 R N 1.002 121.301 120.500 -0.335 0.000 2.280 510 R HA 0.343 4.682 4.340 -0.000 0.000 0.195 510 R C 1.315 177.418 176.300 -0.329 0.000 0.935 510 R CA 0.108 55.869 56.100 -0.564 0.000 1.033 510 R CB -0.241 29.874 30.300 -0.307 0.000 0.964 510 R HN 0.465 nan 8.270 nan 0.000 0.489 511 G N 1.258 109.935 108.800 -0.205 0.000 2.335 511 G HA2 0.114 4.074 3.960 -0.000 0.000 0.268 511 G HA3 0.114 4.074 3.960 -0.000 0.000 0.268 511 G C -0.350 174.486 174.900 -0.106 0.000 1.228 511 G CA -0.392 44.634 45.100 -0.124 0.000 0.968 511 G HN 0.166 nan 8.290 nan 0.000 0.459 512 M N 2.246 121.798 119.600 -0.079 0.000 2.260 512 M HA 0.053 4.533 4.480 -0.000 0.000 0.348 512 M C 1.230 177.522 176.300 -0.013 0.000 1.342 512 M CA 0.731 56.004 55.300 -0.046 0.000 1.040 512 M CB 0.152 32.733 32.600 -0.031 0.000 1.810 512 M HN 0.830 nan 8.290 nan 0.000 0.453 513 Q N 1.959 121.766 119.800 0.011 0.000 2.437 513 Q HA -0.322 4.018 4.340 -0.000 0.000 0.274 513 Q C -0.573 175.458 176.000 0.052 0.000 1.165 513 Q CA 0.991 56.818 55.803 0.040 0.000 0.925 513 Q CB -1.020 27.734 28.738 0.027 0.000 1.327 513 Q HN 0.913 nan 8.270 nan 0.000 0.505 514 A N -1.725 121.126 122.820 0.050 0.000 1.808 514 A HA 0.197 4.517 4.320 -0.000 0.000 0.190 514 A C 1.291 178.930 177.584 0.092 0.000 1.822 514 A CA 0.757 52.829 52.037 0.059 0.000 1.090 514 A CB 0.122 19.129 19.000 0.011 0.000 1.004 514 A HN 0.704 nan 8.150 nan 0.000 0.602 515 T N -1.780 112.752 114.554 -0.037 0.000 3.043 515 T HA 0.086 4.436 4.350 -0.000 0.000 0.272 515 T C 0.794 175.234 174.700 -0.432 0.000 0.990 515 T CA 0.889 62.856 62.100 -0.223 0.000 0.897 515 T CB 0.101 68.863 68.868 -0.177 0.000 1.111 515 T HN 0.405 nan 8.240 nan 0.000 0.529 516 D N 1.868 122.134 120.400 -0.223 0.000 2.392 516 D HA -0.160 4.480 4.640 -0.000 0.000 0.228 516 D C 1.606 177.851 176.300 -0.092 0.000 1.003 516 D CA 0.367 54.260 54.000 -0.178 0.000 0.917 516 D CB -0.691 40.027 40.800 -0.137 0.000 0.890 516 D HN 0.687 nan 8.370 nan 0.000 0.532 517 Y N 0.431 120.754 120.300 0.037 0.000 2.483 517 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 517 Y C 1.296 177.234 175.900 0.063 0.000 1.143 517 Y CA 0.973 59.099 58.100 0.044 0.000 1.289 517 Y CB -1.141 37.336 38.460 0.028 0.000 0.983 517 Y HN -0.046 nan 8.280 nan 0.000 0.556 518 N N -0.213 118.272 118.700 -0.358 0.000 2.275 518 N HA -0.050 4.690 4.740 -0.000 0.000 0.236 518 N C -0.346 175.159 175.510 -0.008 0.000 1.154 518 N CA -0.134 52.845 53.050 -0.118 0.000 0.866 518 N CB -0.622 37.728 38.487 -0.228 0.000 1.093 518 N HN 0.533 nan 8.380 nan 0.000 0.515 519 H N 0.662 119.669 119.070 -0.104 0.000 2.768 519 H HA 0.089 4.645 4.556 -0.000 0.000 0.219 519 H C -0.766 174.546 175.328 -0.027 0.000 1.898 519 H CA -0.585 55.422 56.048 -0.070 0.000 1.313 519 H CB -0.162 29.559 29.762 -0.069 0.000 1.701 519 H HN 0.266 nan 8.280 nan 0.000 0.534 520 D N 1.858 122.228 120.400 -0.049 0.000 2.443 520 D HA -0.110 4.529 4.640 -0.000 0.000 0.239 520 D C 1.450 177.684 176.300 -0.109 0.000 1.136 520 D CA -0.128 53.848 54.000 -0.040 0.000 0.879 520 D CB 1.561 42.373 40.800 0.020 0.000 1.195 520 D HN 0.416 nan 8.370 nan 0.000 0.443 521 L N 2.973 124.159 121.223 -0.062 0.000 2.072 521 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 521 L C 0.309 177.146 176.870 -0.055 0.000 1.079 521 L CA 1.347 56.146 54.840 -0.069 0.000 0.752 521 L CB 0.281 42.322 42.059 -0.030 0.000 0.906 521 L HN 0.189 nan 8.230 nan 0.000 0.436 522 V N 2.151 122.055 119.914 -0.017 0.000 2.439 522 V HA 0.467 4.587 4.120 -0.000 0.000 0.282 522 V C 0.137 176.257 176.094 0.043 0.000 1.039 522 V CA -0.555 61.750 62.300 0.008 0.000 0.913 522 V CB 1.109 32.948 31.823 0.026 0.000 0.983 522 V HN 0.333 nan 8.190 nan 0.000 0.460 523 R N 0.000 120.531 120.500 0.051 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.190 56.100 0.150 0.000 0.921 523 R CB 0.000 30.235 30.300 -0.108 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535