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 1g21_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 0.000 174.619 174.600 0.032 0.000 1.055 2 S CA 0.000 58.249 58.200 0.082 0.000 1.107 2 S CB 0.000 63.226 63.200 0.044 0.000 0.593 3 Q N 1.693 121.501 119.800 0.013 0.000 2.310 3 Q HA 0.525 4.864 4.340 -0.001 0.000 0.270 3 Q C -1.574 174.420 176.000 -0.011 0.000 1.025 3 Q CA -0.265 55.529 55.803 -0.015 0.000 0.772 3 Q CB 1.738 30.466 28.738 -0.016 0.000 1.253 3 Q HN 0.656 nan 8.270 nan 0.000 0.450 4 Q N 2.776 122.564 119.800 -0.020 0.000 2.290 4 Q HA 0.269 4.608 4.340 -0.001 0.000 0.259 4 Q C 0.697 176.688 176.000 -0.016 0.000 0.941 4 Q CA -0.482 55.313 55.803 -0.015 0.000 0.912 4 Q CB 1.961 30.689 28.738 -0.016 0.000 1.244 4 Q HN 0.554 nan 8.270 nan 0.000 0.441 5 V N 2.611 122.519 119.914 -0.010 0.000 2.250 5 V HA -0.339 3.780 4.120 -0.001 0.000 0.253 5 V C 0.792 176.880 176.094 -0.010 0.000 1.065 5 V CA 2.442 64.736 62.300 -0.009 0.000 1.039 5 V CB -0.286 31.534 31.823 -0.004 0.000 0.647 5 V HN 0.837 nan 8.190 nan 0.000 0.446 6 D N -1.264 119.130 120.400 -0.010 0.000 2.336 6 D HA 0.065 4.705 4.640 -0.001 0.000 0.229 6 D C 0.932 177.223 176.300 -0.014 0.000 1.061 6 D CA 0.443 54.437 54.000 -0.010 0.000 0.875 6 D CB 0.129 40.924 40.800 -0.008 0.000 0.904 6 D HN 0.221 nan 8.370 nan 0.000 0.525 7 K N 0.626 121.014 120.400 -0.020 0.000 3.394 7 K HA 0.263 4.583 4.320 -0.001 0.000 0.166 7 K C -1.192 175.386 176.600 -0.038 0.000 1.063 7 K CA -0.218 56.053 56.287 -0.027 0.000 0.764 7 K CB 0.059 32.541 32.500 -0.029 0.000 0.870 7 K HN -0.020 nan 8.250 nan 0.000 0.556 8 I N 2.094 122.644 120.570 -0.035 0.000 2.664 8 I HA -0.031 4.138 4.170 -0.001 0.000 0.284 8 I C 0.332 176.410 176.117 -0.065 0.000 1.154 8 I CA 0.348 61.621 61.300 -0.045 0.000 1.402 8 I CB 0.249 38.230 38.000 -0.032 0.000 1.395 8 I HN 0.044 nan 8.210 nan 0.000 0.545 9 K N 5.982 126.323 120.400 -0.098 0.000 2.276 9 K HA 0.543 4.862 4.320 -0.001 0.000 0.285 9 K C 0.265 176.765 176.600 -0.166 0.000 1.062 9 K CA -0.356 55.846 56.287 -0.142 0.000 0.918 9 K CB 1.469 33.855 32.500 -0.190 0.000 1.055 9 K HN 0.751 nan 8.250 nan 0.000 0.477 10 A N 1.783 124.526 122.820 -0.129 0.000 3.204 10 A HA 0.134 4.453 4.320 -0.001 0.000 0.197 10 A C 1.650 179.141 177.584 -0.155 0.000 1.915 10 A CA 0.201 52.176 52.037 -0.103 0.000 0.878 10 A CB -0.244 18.745 19.000 -0.018 0.000 1.868 10 A HN 0.692 nan 8.150 nan 0.000 0.685 11 S N -1.989 113.707 115.700 -0.007 0.000 2.369 11 S HA -0.204 4.265 4.470 -0.001 0.000 0.225 11 S C 0.641 175.314 174.600 0.122 0.000 1.043 11 S CA 1.958 60.239 58.200 0.135 0.000 1.074 11 S CB -0.519 62.818 63.200 0.228 0.000 0.962 11 S HN 0.635 nan 8.310 nan 0.000 0.433 12 Y N 2.106 122.407 120.300 0.002 0.000 2.341 12 Y HA 0.513 5.062 4.550 -0.001 0.000 0.340 12 Y C -1.873 173.984 175.900 -0.072 0.000 0.997 12 Y CA -1.189 56.907 58.100 -0.006 0.000 1.149 12 Y CB 1.716 40.194 38.460 0.030 0.000 1.171 12 Y HN 0.257 nan 8.280 nan 0.000 0.494 13 P HA -0.249 nan 4.420 nan 0.000 0.535 13 P C 0.631 177.709 177.300 -0.371 0.000 0.570 13 P CA 0.711 63.547 63.100 -0.440 0.000 2.509 13 P CB -0.695 30.789 31.700 -0.360 0.000 1.141 14 L N -0.329 120.597 121.223 -0.495 0.000 2.013 14 L HA -0.069 4.270 4.340 -0.001 0.000 0.212 14 L C 1.804 178.087 176.870 -0.978 0.000 1.073 14 L CA 2.259 56.632 54.840 -0.778 0.000 0.753 14 L CB -1.460 39.971 42.059 -1.046 0.000 0.890 14 L HN 0.046 nan 8.230 nan 0.000 0.432 15 F N -1.934 117.804 119.950 -0.354 0.000 2.780 15 F HA 0.027 4.553 4.527 -0.001 0.000 0.299 15 F C 2.100 177.876 175.800 -0.040 0.000 1.146 15 F CA -0.116 57.720 58.000 -0.273 0.000 1.428 15 F CB -0.323 38.608 39.000 -0.116 0.000 1.115 15 F HN 0.001 nan 8.300 nan 0.000 0.583 16 L N -0.683 120.542 121.223 0.004 0.000 2.156 16 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 16 L C 0.417 177.309 176.870 0.036 0.000 1.095 16 L CA 0.445 55.302 54.840 0.029 0.000 0.770 16 L CB -0.541 41.485 42.059 -0.056 0.000 0.914 16 L HN -0.053 nan 8.230 nan 0.000 0.439 17 D N 0.434 120.837 120.400 0.004 0.000 2.629 17 D HA -0.141 4.499 4.640 -0.001 0.000 0.228 17 D C 1.022 177.396 176.300 0.123 0.000 1.127 17 D CA 0.438 54.472 54.000 0.057 0.000 0.855 17 D CB 0.712 41.565 40.800 0.089 0.000 1.180 17 D HN -0.002 nan 8.370 nan 0.000 0.484 18 Q N 2.292 122.140 119.800 0.080 0.000 2.152 18 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 18 Q C 1.133 177.186 176.000 0.088 0.000 0.985 18 Q CA 2.087 57.935 55.803 0.074 0.000 0.863 18 Q CB -0.123 28.641 28.738 0.043 0.000 0.904 18 Q HN 0.617 nan 8.270 nan 0.000 0.422 19 D N -1.274 119.184 120.400 0.097 0.000 2.123 19 D HA -0.228 4.411 4.640 -0.001 0.000 0.196 19 D C 1.458 177.773 176.300 0.026 0.000 0.992 19 D CA 1.598 55.626 54.000 0.046 0.000 0.833 19 D CB -0.973 39.843 40.800 0.026 0.000 0.954 19 D HN 0.429 nan 8.370 nan 0.000 0.455 20 Y N 0.916 121.255 120.300 0.065 0.000 2.286 20 Y HA 0.086 4.635 4.550 -0.001 0.000 0.293 20 Y C 2.504 178.466 175.900 0.104 0.000 1.124 20 Y CA 0.859 59.026 58.100 0.113 0.000 1.178 20 Y CB -0.044 38.529 38.460 0.188 0.000 1.010 20 Y HN -0.105 nan 8.280 nan 0.000 0.536 21 K N 0.070 120.610 120.400 0.234 0.000 2.032 21 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 21 K C 1.584 178.245 176.600 0.102 0.000 1.048 21 K CA 1.715 58.094 56.287 0.153 0.000 0.927 21 K CB -0.307 32.261 32.500 0.113 0.000 0.712 21 K HN 0.265 nan 8.250 nan 0.000 0.441 22 D N 0.909 121.353 120.400 0.074 0.000 2.127 22 D HA -0.247 4.393 4.640 -0.001 0.000 0.190 22 D C 1.806 178.129 176.300 0.038 0.000 1.000 22 D CA 1.440 55.464 54.000 0.041 0.000 0.839 22 D CB -0.258 40.555 40.800 0.021 0.000 0.955 22 D HN 0.163 nan 8.370 nan 0.000 0.446 23 M N 0.391 120.008 119.600 0.029 0.000 2.163 23 M HA -0.244 4.235 4.480 -0.001 0.000 0.258 23 M C 2.229 178.567 176.300 0.062 0.000 1.071 23 M CA 1.679 56.994 55.300 0.026 0.000 1.093 23 M CB -0.262 32.328 32.600 -0.018 0.000 1.285 23 M HN -0.001 nan 8.290 nan 0.000 0.420 24 L N 0.047 121.321 121.223 0.085 0.000 2.081 24 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 24 L C 2.770 179.679 176.870 0.065 0.000 1.080 24 L CA 1.303 56.192 54.840 0.082 0.000 0.754 24 L CB -1.395 40.721 42.059 0.094 0.000 0.893 24 L HN 0.526 nan 8.230 nan 0.000 0.433 25 A N 0.498 123.351 122.820 0.055 0.000 1.877 25 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 25 A C 2.358 179.953 177.584 0.019 0.000 1.186 25 A CA 1.648 53.705 52.037 0.034 0.000 0.620 25 A CB -0.353 18.664 19.000 0.028 0.000 0.822 25 A HN 0.347 nan 8.150 nan 0.000 0.443 26 K N -0.286 120.130 120.400 0.026 0.000 2.147 26 K HA -0.164 4.155 4.320 -0.001 0.000 0.205 26 K C 2.163 178.785 176.600 0.037 0.000 1.049 26 K CA 1.504 57.798 56.287 0.012 0.000 0.936 26 K CB -0.141 32.382 32.500 0.038 0.000 0.722 26 K HN 0.537 nan 8.250 nan 0.000 0.446 27 K N 1.630 122.104 120.400 0.123 0.000 2.001 27 K HA -0.166 4.154 4.320 -0.001 0.000 0.208 27 K C 2.338 179.021 176.600 0.137 0.000 1.048 27 K CA 1.114 57.549 56.287 0.246 0.000 0.932 27 K CB -0.022 32.584 32.500 0.178 0.000 0.715 27 K HN -0.017 nan 8.250 nan 0.000 0.437 28 R N 0.575 121.111 120.500 0.060 0.000 2.080 28 R HA -0.161 4.178 4.340 -0.001 0.000 0.236 28 R C 1.246 177.523 176.300 -0.037 0.000 1.137 28 R CA 2.360 58.472 56.100 0.020 0.000 0.943 28 R CB -0.277 30.035 30.300 0.020 0.000 0.846 28 R HN 0.222 nan 8.270 nan 0.000 0.431 29 D N -0.895 119.466 120.400 -0.066 0.000 2.312 29 D HA -0.022 4.618 4.640 -0.001 0.000 0.211 29 D C 1.490 177.659 176.300 -0.218 0.000 0.964 29 D CA 1.191 55.128 54.000 -0.106 0.000 0.877 29 D CB -0.108 40.641 40.800 -0.085 0.000 0.924 29 D HN 0.518 nan 8.370 nan 0.000 0.515 30 G N -0.470 108.117 108.800 -0.355 0.000 2.508 30 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.212 30 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.212 30 G C 0.718 175.015 174.900 -1.005 0.000 1.206 30 G CA 0.102 44.664 45.100 -0.898 0.000 0.822 30 G HN 0.263 nan 8.290 nan 0.000 0.550 31 F N 0.128 120.065 119.950 -0.022 0.000 2.798 31 F HA 0.410 4.937 4.527 -0.001 0.000 0.328 31 F C 1.919 177.697 175.800 -0.037 0.000 1.098 31 F CA -0.466 57.518 58.000 -0.027 0.000 1.172 31 F CB 0.587 39.573 39.000 -0.023 0.000 1.072 31 F HN 0.077 nan 8.300 nan 0.000 0.555 32 E N 0.924 121.172 120.200 0.080 0.000 2.299 32 E HA -0.058 4.291 4.350 -0.001 0.000 0.193 32 E C 0.115 176.689 176.600 -0.043 0.000 0.998 32 E CA 0.378 56.793 56.400 0.026 0.000 0.851 32 E CB -0.130 29.579 29.700 0.015 0.000 0.795 32 E HN 0.393 nan 8.360 nan 0.000 0.492 33 E N 1.458 121.623 120.200 -0.059 0.000 2.269 33 E HA -0.235 4.115 4.350 -0.001 0.000 0.223 33 E C -0.096 176.403 176.600 -0.169 0.000 1.244 33 E CA 0.462 56.805 56.400 -0.096 0.000 0.713 33 E CB -1.182 28.467 29.700 -0.085 0.000 1.178 33 E HN 0.157 nan 8.360 nan 0.000 0.370 34 K N 0.671 120.992 120.400 -0.132 0.000 2.154 34 K HA 0.234 4.554 4.320 -0.001 0.000 0.264 34 K C -0.235 176.302 176.600 -0.106 0.000 1.008 34 K CA -0.379 55.812 56.287 -0.160 0.000 0.937 34 K CB 0.557 33.025 32.500 -0.054 0.000 1.002 34 K HN 0.024 nan 8.250 nan 0.000 0.469 35 Y N 2.533 122.838 120.300 0.009 0.000 2.426 35 Y HA 0.107 4.657 4.550 -0.001 0.000 0.344 35 Y C -1.437 174.468 175.900 0.008 0.000 1.256 35 Y CA -1.660 56.444 58.100 0.007 0.000 1.451 35 Y CB 0.140 38.607 38.460 0.011 0.000 1.342 35 Y HN 0.557 nan 8.280 nan 0.000 0.600 36 P HA 0.006 nan 4.420 nan 0.000 0.276 36 P C -0.282 177.071 177.300 0.089 0.000 1.230 36 P CA -0.264 62.894 63.100 0.097 0.000 0.776 36 P CB 1.543 33.282 31.700 0.066 0.000 0.888 37 Q N 2.179 122.020 119.800 0.068 0.000 2.197 37 Q HA -0.250 4.089 4.340 -0.001 0.000 0.211 37 Q C 1.258 177.287 176.000 0.049 0.000 0.993 37 Q CA 2.194 58.033 55.803 0.061 0.000 0.883 37 Q CB -0.560 28.205 28.738 0.044 0.000 0.916 37 Q HN 0.421 nan 8.270 nan 0.000 0.418 38 D N -0.285 120.136 120.400 0.035 0.000 2.137 38 D HA -0.215 4.424 4.640 -0.001 0.000 0.189 38 D C 1.696 178.006 176.300 0.017 0.000 0.998 38 D CA 1.815 55.828 54.000 0.022 0.000 0.839 38 D CB -0.272 40.535 40.800 0.012 0.000 0.962 38 D HN 0.181 nan 8.370 nan 0.000 0.446 39 K N 0.457 120.859 120.400 0.003 0.000 2.217 39 K HA 0.027 4.347 4.320 -0.001 0.000 0.202 39 K C 2.185 178.778 176.600 -0.012 0.000 1.051 39 K CA 0.253 56.517 56.287 -0.039 0.000 0.952 39 K CB -0.250 32.179 32.500 -0.119 0.000 0.736 39 K HN 0.134 nan 8.250 nan 0.000 0.453 40 I N 0.559 121.153 120.570 0.041 0.000 2.142 40 I HA -0.298 3.872 4.170 -0.001 0.000 0.240 40 I C 1.397 177.578 176.117 0.107 0.000 1.078 40 I CA 1.688 63.040 61.300 0.087 0.000 1.343 40 I CB -0.233 37.837 38.000 0.115 0.000 1.046 40 I HN 0.219 nan 8.210 nan 0.000 0.405 41 D N 0.563 121.013 120.400 0.084 0.000 2.123 41 D HA -0.197 4.442 4.640 -0.001 0.000 0.196 41 D C 2.100 178.480 176.300 0.133 0.000 0.992 41 D CA 1.186 55.237 54.000 0.086 0.000 0.833 41 D CB -0.043 40.785 40.800 0.046 0.000 0.954 41 D HN 0.344 nan 8.370 nan 0.000 0.455 42 E N 0.008 120.260 120.200 0.086 0.000 2.021 42 E HA -0.176 4.173 4.350 -0.001 0.000 0.200 42 E C 2.319 179.001 176.600 0.136 0.000 1.015 42 E CA 1.196 57.644 56.400 0.079 0.000 0.824 42 E CB -0.221 29.483 29.700 0.007 0.000 0.762 42 E HN 0.108 nan 8.360 nan 0.000 0.454 43 V N 1.303 121.280 119.914 0.105 0.000 2.370 43 V HA -0.287 3.832 4.120 -0.001 0.000 0.252 43 V C 2.034 178.263 176.094 0.226 0.000 1.068 43 V CA 2.088 64.493 62.300 0.174 0.000 1.061 43 V CB -0.648 31.235 31.823 0.099 0.000 0.656 43 V HN 0.263 nan 8.190 nan 0.000 0.455 44 F N 0.652 120.616 119.950 0.023 0.000 2.060 44 F HA -0.188 4.339 4.527 -0.001 0.000 0.295 44 F C 2.724 178.462 175.800 -0.103 0.000 1.120 44 F CA 1.820 59.780 58.000 -0.067 0.000 1.205 44 F CB -0.252 38.687 39.000 -0.101 0.000 0.986 44 F HN 0.025 nan 8.300 nan 0.000 0.470 45 Q N -0.074 119.982 119.800 0.427 0.000 2.173 45 Q HA -0.293 4.046 4.340 -0.001 0.000 0.208 45 Q C 1.820 177.846 176.000 0.043 0.000 0.989 45 Q CA 2.184 58.127 55.803 0.232 0.000 0.872 45 Q CB -1.211 27.632 28.738 0.174 0.000 0.909 45 Q HN 0.735 nan 8.270 nan 0.000 0.420 46 W N 1.638 122.865 121.300 -0.123 0.000 2.381 46 W HA -0.219 4.440 4.660 -0.001 0.000 0.321 46 W C 2.523 178.845 176.519 -0.328 0.000 1.196 46 W CA 2.929 60.182 57.345 -0.154 0.000 1.304 46 W CB -1.089 28.317 29.460 -0.089 0.000 1.166 46 W HN 0.289 nan 8.180 nan 0.000 0.473 47 T N -2.521 111.528 114.554 -0.841 0.000 2.760 47 T HA -0.303 4.047 4.350 -0.001 0.000 0.269 47 T C 1.692 175.773 174.700 -1.031 0.000 1.047 47 T CA 2.151 63.208 62.100 -1.738 0.000 1.139 47 T CB -1.353 66.666 68.868 -1.414 0.000 0.855 47 T HN 0.200 nan 8.240 nan 0.000 0.471 48 T N 1.097 115.160 114.554 -0.818 0.000 3.252 48 T HA 0.192 4.542 4.350 -0.001 0.000 0.250 48 T C 0.572 174.937 174.700 -0.559 0.000 1.123 48 T CA 0.407 61.989 62.100 -0.863 0.000 1.006 48 T CB -0.728 67.382 68.868 -1.262 0.000 0.992 48 T HN 0.608 nan 8.240 nan 0.000 0.547 49 T N -0.364 113.960 114.554 -0.384 0.000 2.937 49 T HA 0.382 4.732 4.350 -0.001 0.000 0.283 49 T C 1.196 175.805 174.700 -0.152 0.000 1.012 49 T CA -0.662 61.301 62.100 -0.228 0.000 0.997 49 T CB 1.293 70.078 68.868 -0.140 0.000 1.136 49 T HN 0.048 nan 8.240 nan 0.000 0.551 50 K N 0.256 120.589 120.400 -0.111 0.000 2.296 50 K HA 0.004 4.323 4.320 -0.001 0.000 0.200 50 K C 2.022 178.578 176.600 -0.073 0.000 1.048 50 K CA 0.644 56.874 56.287 -0.094 0.000 0.966 50 K CB 0.082 32.537 32.500 -0.074 0.000 0.754 50 K HN 0.618 nan 8.250 nan 0.000 0.466 51 E N 0.113 120.290 120.200 -0.038 0.000 2.072 51 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 51 E C 1.749 178.326 176.600 -0.038 0.000 0.985 51 E CA 1.068 57.477 56.400 0.014 0.000 0.801 51 E CB -0.082 29.691 29.700 0.122 0.000 0.750 51 E HN 0.308 nan 8.360 nan 0.000 0.452 52 Y N 1.522 121.628 120.300 -0.324 0.000 2.242 52 Y HA -0.204 4.346 4.550 -0.001 0.000 0.291 52 Y C 2.461 178.183 175.900 -0.297 0.000 1.137 52 Y CA 2.163 59.936 58.100 -0.546 0.000 1.181 52 Y CB -0.172 37.710 38.460 -0.963 0.000 0.989 52 Y HN 0.114 nan 8.280 nan 0.000 0.527 53 Q N 0.001 119.701 119.800 -0.165 0.000 2.020 53 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 53 Q C 2.319 178.231 176.000 -0.146 0.000 0.982 53 Q CA 1.903 57.608 55.803 -0.164 0.000 0.838 53 Q CB -0.240 28.384 28.738 -0.190 0.000 0.899 53 Q HN 0.366 nan 8.270 nan 0.000 0.423 54 E N 0.439 120.561 120.200 -0.131 0.000 2.058 54 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 54 E C 2.096 178.676 176.600 -0.034 0.000 0.997 54 E CA 1.210 57.573 56.400 -0.063 0.000 0.801 54 E CB -0.338 29.337 29.700 -0.042 0.000 0.746 54 E HN 0.447 nan 8.360 nan 0.000 0.450 55 L N 1.085 122.241 121.223 -0.111 0.000 2.013 55 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 55 L C 2.561 179.332 176.870 -0.165 0.000 1.073 55 L CA 1.512 56.272 54.840 -0.134 0.000 0.753 55 L CB -0.781 41.154 42.059 -0.206 0.000 0.890 55 L HN 0.195 nan 8.230 nan 0.000 0.432 56 N N 0.519 119.037 118.700 -0.304 0.000 2.011 56 N HA -0.256 4.484 4.740 -0.001 0.000 0.199 56 N C 1.759 177.300 175.510 0.052 0.000 1.047 56 N CA 1.982 54.911 53.050 -0.201 0.000 0.863 56 N CB -0.371 38.017 38.487 -0.165 0.000 1.056 56 N HN 0.118 nan 8.380 nan 0.000 0.427 57 F N 1.460 121.375 119.950 -0.059 0.000 2.269 57 F HA 0.008 4.534 4.527 -0.001 0.000 0.301 57 F C 2.335 178.175 175.800 0.067 0.000 1.082 57 F CA 0.731 58.784 58.000 0.089 0.000 1.360 57 F CB -0.467 38.593 39.000 0.099 0.000 1.041 57 F HN 0.236 nan 8.300 nan 0.000 0.512 58 Q N -0.156 119.747 119.800 0.172 0.000 2.541 58 Q HA -0.080 4.259 4.340 -0.001 0.000 0.215 58 Q C 0.633 176.669 176.000 0.060 0.000 0.977 58 Q CA 0.178 56.039 55.803 0.097 0.000 0.934 58 Q CB -0.150 28.622 28.738 0.057 0.000 0.988 58 Q HN 0.272 nan 8.270 nan 0.000 0.521 59 R N 1.060 121.591 120.500 0.052 0.000 2.570 59 R HA -0.084 4.255 4.340 -0.001 0.000 0.277 59 R C 1.019 177.341 176.300 0.037 0.000 1.039 59 R CA 0.718 56.832 56.100 0.023 0.000 1.065 59 R CB 0.343 30.642 30.300 -0.003 0.000 0.964 59 R HN 0.351 nan 8.270 nan 0.000 0.428 60 E N 1.929 122.140 120.200 0.020 0.000 2.633 60 E HA 0.139 4.488 4.350 -0.001 0.000 0.222 60 E C 0.389 176.995 176.600 0.010 0.000 0.899 60 E CA 0.203 56.615 56.400 0.020 0.000 1.292 60 E CB 0.653 30.365 29.700 0.019 0.000 1.257 60 E HN 0.489 nan 8.360 nan 0.000 0.626 61 A N 0.610 123.429 122.820 -0.001 0.000 2.141 61 A HA 0.371 4.691 4.320 -0.001 0.000 0.201 61 A C 0.471 178.045 177.584 -0.017 0.000 1.344 61 A CA -0.194 51.839 52.037 -0.007 0.000 0.971 61 A CB 0.364 19.357 19.000 -0.012 0.000 1.035 61 A HN 0.186 nan 8.150 nan 0.000 0.480 62 L N 0.743 121.947 121.223 -0.031 0.000 2.357 62 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 62 L C -0.761 176.079 176.870 -0.050 0.000 1.080 62 L CA 0.578 55.384 54.840 -0.057 0.000 0.803 62 L CB 1.822 43.824 42.059 -0.094 0.000 1.174 62 L HN 0.060 nan 8.230 nan 0.000 0.443 63 T N 3.713 118.231 114.554 -0.059 0.000 2.879 63 T HA 0.525 4.874 4.350 -0.001 0.000 0.290 63 T C -1.108 173.525 174.700 -0.113 0.000 0.993 63 T CA -0.367 61.712 62.100 -0.036 0.000 0.975 63 T CB 1.425 70.309 68.868 0.026 0.000 0.981 63 T HN 0.305 nan 8.240 nan 0.000 0.439 64 V N 5.322 125.149 119.914 -0.144 0.000 2.326 64 V HA 0.398 4.518 4.120 -0.001 0.000 0.281 64 V C -0.441 175.603 176.094 -0.083 0.000 1.015 64 V CA -1.063 61.120 62.300 -0.196 0.000 0.823 64 V CB 0.431 31.961 31.823 -0.488 0.000 1.009 64 V HN 1.031 nan 8.190 nan 0.000 0.436 65 N N 3.318 121.939 118.700 -0.131 0.000 2.590 65 N HA -0.105 4.634 4.740 -0.001 0.000 0.273 65 N C -2.676 172.661 175.510 -0.288 0.000 1.210 65 N CA -0.052 52.890 53.050 -0.180 0.000 0.676 65 N CB -0.889 37.551 38.487 -0.078 0.000 0.881 65 N HN 0.373 nan 8.380 nan 0.000 0.550 66 P HA 0.162 nan 4.420 nan 0.000 0.271 66 P C 0.195 177.310 177.300 -0.308 0.000 1.238 66 P CA 0.161 63.002 63.100 -0.431 0.000 0.794 66 P CB 0.533 32.123 31.700 -0.184 0.000 0.959 67 A N 0.344 123.035 122.820 -0.214 0.000 2.616 67 A HA 0.272 4.591 4.320 -0.001 0.000 0.294 67 A C 0.250 177.967 177.584 0.222 0.000 1.091 67 A CA -0.031 52.053 52.037 0.078 0.000 0.971 67 A CB -0.443 18.599 19.000 0.069 0.000 1.222 67 A HN 0.533 nan 8.150 nan 0.000 0.521 68 K N -1.776 118.743 120.400 0.198 0.000 2.430 68 K HA 0.929 5.249 4.320 -0.001 0.000 0.268 68 K C -0.570 176.075 176.600 0.075 0.000 1.043 68 K CA -0.336 56.075 56.287 0.206 0.000 0.899 68 K CB 1.533 34.199 32.500 0.277 0.000 1.472 68 K HN 0.499 nan 8.250 nan 0.000 0.451 69 A N -0.068 122.800 122.820 0.079 0.000 2.533 69 A HA 0.658 4.977 4.320 -0.001 0.000 0.293 69 A C -0.646 176.986 177.584 0.080 0.000 1.228 69 A CA -0.657 51.382 52.037 0.003 0.000 0.689 69 A CB 0.358 19.279 19.000 -0.131 0.000 1.303 69 A HN 1.021 nan 8.150 nan 0.000 0.444 70 C N -1.381 117.947 119.300 0.046 0.000 2.403 70 C HA 0.533 4.992 4.460 -0.001 0.000 0.361 70 C C 1.561 176.556 174.990 0.008 0.000 1.274 70 C CA -0.358 58.681 59.018 0.036 0.000 2.433 70 C CB -0.080 27.695 27.740 0.059 0.000 2.323 70 C HN 0.918 nan 8.230 nan 0.000 0.614 71 Q N 0.685 120.472 119.800 -0.022 0.000 2.124 71 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 71 Q C -0.473 175.500 176.000 -0.045 0.000 0.977 71 Q CA 1.880 57.667 55.803 -0.027 0.000 0.850 71 Q CB -1.223 27.492 28.738 -0.038 0.000 0.901 71 Q HN 0.680 nan 8.270 nan 0.000 0.429 72 P HA -0.179 nan 4.420 nan 0.000 0.218 72 P C 1.273 178.270 177.300 -0.505 0.000 1.148 72 P CA 0.959 63.913 63.100 -0.243 0.000 0.822 72 P CB -0.012 31.592 31.700 -0.161 0.000 0.784 73 L N -0.723 120.170 121.223 -0.550 0.000 2.109 73 L HA 0.080 4.419 4.340 -0.001 0.000 0.207 73 L C 2.165 179.213 176.870 0.296 0.000 1.086 73 L CA 2.052 56.734 54.840 -0.265 0.000 0.760 73 L CB -1.318 40.695 42.059 -0.076 0.000 0.910 73 L HN -0.073 nan 8.230 nan 0.000 0.437 74 G N -1.401 107.573 108.800 0.290 0.000 2.572 74 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.216 74 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.216 74 G C 1.479 176.660 174.900 0.468 0.000 1.133 74 G CA 0.564 46.015 45.100 0.585 0.000 0.791 74 G HN 0.573 nan 8.290 nan 0.000 0.538 75 A N 0.466 123.401 122.820 0.192 0.000 1.840 75 A HA 0.144 4.464 4.320 -0.001 0.000 0.214 75 A C 2.530 180.160 177.584 0.077 0.000 1.198 75 A CA 1.492 53.577 52.037 0.079 0.000 0.608 75 A CB -0.780 18.244 19.000 0.042 0.000 0.839 75 A HN 0.182 nan 8.150 nan 0.000 0.443 76 V N 0.190 120.156 119.914 0.087 0.000 2.278 76 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 76 V C 2.568 178.668 176.094 0.010 0.000 1.062 76 V CA 2.293 64.638 62.300 0.076 0.000 1.038 76 V CB -0.914 30.974 31.823 0.108 0.000 0.646 76 V HN 0.621 nan 8.190 nan 0.000 0.447 77 L N -0.144 121.105 121.223 0.043 0.000 2.083 77 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 77 L C 2.410 179.330 176.870 0.084 0.000 1.083 77 L CA 2.257 57.035 54.840 -0.102 0.000 0.752 77 L CB -1.025 41.014 42.059 -0.033 0.000 0.899 77 L HN 0.483 nan 8.230 nan 0.000 0.433 78 C N -0.301 119.055 119.300 0.093 0.000 2.413 78 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 78 C C 3.009 178.001 174.990 0.003 0.000 1.228 78 C CA 1.068 59.958 59.018 -0.213 0.000 1.731 78 C CB -1.424 25.797 27.740 -0.866 0.000 2.042 78 C HN 0.710 nan 8.230 nan 0.000 0.468 79 A N 0.449 123.330 122.820 0.103 0.000 1.908 79 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 79 A C 2.143 179.811 177.584 0.139 0.000 1.181 79 A CA 1.973 54.159 52.037 0.248 0.000 0.627 79 A CB -0.860 18.236 19.000 0.160 0.000 0.818 79 A HN 0.707 nan 8.150 nan 0.000 0.445 80 L N -0.527 120.694 121.223 -0.003 0.000 2.197 80 L HA -0.208 4.131 4.340 -0.001 0.000 0.215 80 L C 2.655 179.450 176.870 -0.125 0.000 1.095 80 L CA 0.999 55.796 54.840 -0.071 0.000 0.764 80 L CB -0.672 41.267 42.059 -0.200 0.000 0.897 80 L HN 0.507 nan 8.230 nan 0.000 0.436 81 G N -0.348 108.301 108.800 -0.251 0.000 2.421 81 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.217 81 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.217 81 G C 0.429 175.005 174.900 -0.540 0.000 1.143 81 G CA -0.147 44.667 45.100 -0.477 0.000 0.784 81 G HN 0.156 nan 8.290 nan 0.000 0.541 82 F N 1.415 121.359 119.950 -0.010 0.000 2.438 82 F HA 0.273 4.799 4.527 -0.001 0.000 0.356 82 F C 0.889 176.677 175.800 -0.021 0.000 1.099 82 F CA -1.177 56.811 58.000 -0.020 0.000 1.185 82 F CB 0.741 39.729 39.000 -0.020 0.000 1.115 82 F HN -0.003 nan 8.300 nan 0.000 0.526 83 E N 4.422 124.669 120.200 0.078 0.000 2.608 83 E HA -0.134 4.215 4.350 -0.001 0.000 0.259 83 E C 0.456 177.055 176.600 -0.001 0.000 0.951 83 E CA 0.187 56.601 56.400 0.024 0.000 0.945 83 E CB 0.272 29.965 29.700 -0.012 0.000 0.916 83 E HN 0.729 nan 8.360 nan 0.000 0.477 84 K N 1.747 122.118 120.400 -0.048 0.000 2.960 84 K HA -0.222 4.097 4.320 -0.001 0.000 0.259 84 K C -0.223 176.232 176.600 -0.242 0.000 1.025 84 K CA 1.115 57.200 56.287 -0.336 0.000 0.756 84 K CB -1.571 30.694 32.500 -0.393 0.000 1.221 84 K HN 0.764 nan 8.250 nan 0.000 0.483 85 T N -2.082 112.506 114.554 0.056 0.000 2.881 85 T HA 0.561 4.910 4.350 -0.001 0.000 0.278 85 T C -0.017 174.855 174.700 0.286 0.000 0.982 85 T CA -1.023 61.170 62.100 0.156 0.000 0.989 85 T CB 1.717 70.706 68.868 0.201 0.000 1.058 85 T HN 0.179 nan 8.240 nan 0.000 0.529 86 M N 1.854 121.619 119.600 0.276 0.000 2.134 86 M HA 0.486 4.966 4.480 -0.001 0.000 0.310 86 M C -2.911 173.534 176.300 0.242 0.000 0.966 86 M CA -2.642 52.838 55.300 0.299 0.000 0.922 86 M CB 1.607 34.406 32.600 0.332 0.000 1.537 86 M HN 0.279 nan 8.290 nan 0.000 0.424 87 P HA 0.052 nan 4.420 nan 0.000 0.265 87 P C -1.969 175.462 177.300 0.219 0.000 1.222 87 P CA 0.479 63.683 63.100 0.172 0.000 0.767 87 P CB -0.275 31.494 31.700 0.115 0.000 0.801 88 Y N 4.287 124.653 120.300 0.110 0.000 2.328 88 Y HA 0.460 5.010 4.550 -0.001 0.000 0.336 88 Y C -0.841 175.140 175.900 0.136 0.000 0.960 88 Y CA -0.816 57.352 58.100 0.113 0.000 1.134 88 Y CB 1.286 39.803 38.460 0.095 0.000 1.166 88 Y HN 0.027 nan 8.280 nan 0.000 0.464 89 V N 6.330 126.222 119.914 -0.038 0.000 2.334 89 V HA 0.116 4.235 4.120 -0.001 0.000 0.281 89 V C -0.603 175.498 176.094 0.012 0.000 1.016 89 V CA -0.772 61.588 62.300 0.099 0.000 0.832 89 V CB 0.699 32.639 31.823 0.195 0.000 0.999 89 V HN 0.741 nan 8.190 nan 0.000 0.439 90 H N 4.135 123.267 119.070 0.103 0.000 3.017 90 H HA 0.576 5.131 4.556 -0.001 0.000 0.276 90 H C 0.551 175.895 175.328 0.026 0.000 1.062 90 H CA 1.514 57.615 56.048 0.089 0.000 1.486 90 H CB 0.246 30.076 29.762 0.113 0.000 1.507 90 H HN 0.952 nan 8.280 nan 0.000 0.508 91 G N 2.519 111.087 108.800 -0.387 0.000 2.384 91 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.113 91 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.113 91 G C -0.559 174.237 174.900 -0.172 0.000 1.224 91 G CA -0.367 44.571 45.100 -0.270 0.000 1.126 91 G HN 0.826 nan 8.290 nan 0.000 0.461 92 S N 0.222 115.859 115.700 -0.106 0.000 2.608 92 S HA 0.431 4.900 4.470 -0.001 0.000 0.261 92 S C 1.197 175.732 174.600 -0.107 0.000 1.314 92 S CA 0.775 58.921 58.200 -0.091 0.000 0.992 92 S CB 1.456 64.618 63.200 -0.064 0.000 0.935 92 S HN 1.128 nan 8.310 nan 0.000 0.564 93 Q N 0.025 119.765 119.800 -0.099 0.000 2.392 93 Q HA 0.207 4.546 4.340 -0.001 0.000 0.219 93 Q C 1.774 177.698 176.000 -0.127 0.000 0.895 93 Q CA 0.544 56.281 55.803 -0.110 0.000 0.929 93 Q CB -0.662 28.024 28.738 -0.087 0.000 1.077 93 Q HN 0.786 nan 8.270 nan 0.000 0.532 94 G N 1.306 110.047 108.800 -0.098 0.000 2.422 94 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 94 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 94 G C 1.376 176.227 174.900 -0.082 0.000 1.146 94 G CA 1.024 46.080 45.100 -0.073 0.000 0.769 94 G HN 0.429 nan 8.290 nan 0.000 0.547 95 C N -0.183 118.985 119.300 -0.219 0.000 2.432 95 C HA -0.018 4.442 4.460 -0.001 0.000 0.277 95 C C 3.020 177.345 174.990 -1.108 0.000 1.249 95 C CA 0.684 59.300 59.018 -0.670 0.000 1.725 95 C CB -0.968 26.325 27.740 -0.744 0.000 2.028 95 C HN 0.284 nan 8.230 nan 0.000 0.477 96 V N 1.333 120.877 119.914 -0.616 0.000 2.469 96 V HA -0.230 3.890 4.120 -0.001 0.000 0.251 96 V C 2.643 178.657 176.094 -0.132 0.000 1.064 96 V CA 2.169 64.323 62.300 -0.243 0.000 1.066 96 V CB -1.104 30.674 31.823 -0.076 0.000 0.667 96 V HN 0.626 nan 8.190 nan 0.000 0.461 97 A N -1.638 121.069 122.820 -0.188 0.000 1.969 97 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 97 A C 2.013 179.485 177.584 -0.187 0.000 1.169 97 A CA 1.581 53.509 52.037 -0.181 0.000 0.635 97 A CB -0.535 18.311 19.000 -0.257 0.000 0.810 97 A HN 0.598 nan 8.150 nan 0.000 0.445 98 Y N -1.562 118.658 120.300 -0.133 0.000 2.231 98 Y HA -0.005 4.545 4.550 -0.001 0.000 0.294 98 Y C 2.150 178.167 175.900 0.195 0.000 1.120 98 Y CA 1.257 59.346 58.100 -0.018 0.000 1.141 98 Y CB -0.408 37.994 38.460 -0.097 0.000 1.022 98 Y HN 0.325 nan 8.280 nan 0.000 0.523 99 F N 0.020 120.148 119.950 0.296 0.000 2.115 99 F HA -0.335 4.191 4.527 -0.001 0.000 0.300 99 F C 2.386 178.424 175.800 0.397 0.000 1.092 99 F CA 1.067 59.264 58.000 0.327 0.000 1.245 99 F CB -0.332 38.841 39.000 0.288 0.000 0.995 99 F HN 0.003 nan 8.300 nan 0.000 0.481 100 R N 0.141 120.911 120.500 0.451 0.000 2.055 100 R HA -0.098 4.241 4.340 -0.001 0.000 0.228 100 R C 2.392 178.863 176.300 0.285 0.000 1.143 100 R CA 1.500 57.794 56.100 0.323 0.000 0.945 100 R CB -0.760 29.636 30.300 0.160 0.000 0.841 100 R HN 0.063 nan 8.270 nan 0.000 0.429 101 S N 0.244 116.060 115.700 0.194 0.000 2.387 101 S HA -0.219 4.250 4.470 -0.001 0.000 0.230 101 S C 1.641 176.355 174.600 0.191 0.000 1.035 101 S CA 1.428 59.707 58.200 0.131 0.000 1.014 101 S CB -0.392 62.841 63.200 0.056 0.000 0.836 101 S HN 0.315 nan 8.310 nan 0.000 0.466 102 Y N 0.697 121.097 120.300 0.167 0.000 2.133 102 Y HA -0.055 4.495 4.550 -0.001 0.000 0.287 102 Y C 1.836 177.860 175.900 0.206 0.000 1.134 102 Y CA 1.029 59.227 58.100 0.162 0.000 1.133 102 Y CB -0.546 38.047 38.460 0.223 0.000 0.987 102 Y HN 0.209 nan 8.280 nan 0.000 0.502 103 F N 0.479 120.673 119.950 0.408 0.000 2.546 103 F HA -0.180 4.347 4.527 -0.001 0.000 0.298 103 F C 1.981 177.950 175.800 0.283 0.000 1.120 103 F CA 0.897 59.118 58.000 0.368 0.000 1.456 103 F CB -0.465 38.679 39.000 0.240 0.000 1.088 103 F HN 0.143 nan 8.300 nan 0.000 0.572 104 N N 0.121 119.006 118.700 0.309 0.000 2.173 104 N HA -0.076 4.664 4.740 -0.001 0.000 0.184 104 N C 1.922 177.462 175.510 0.050 0.000 1.025 104 N CA 0.925 54.069 53.050 0.157 0.000 0.852 104 N CB -0.300 38.229 38.487 0.070 0.000 0.998 104 N HN 0.242 nan 8.380 nan 0.000 0.427 105 R N -0.270 120.160 120.500 -0.117 0.000 2.152 105 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 105 R C 1.728 178.006 176.300 -0.037 0.000 1.117 105 R CA 0.995 56.890 56.100 -0.341 0.000 0.981 105 R CB -0.431 29.159 30.300 -1.184 0.000 0.870 105 R HN 0.519 nan 8.270 nan 0.000 0.451 106 H N -0.190 118.923 119.070 0.071 0.000 2.320 106 H HA 0.011 4.566 4.556 -0.001 0.000 0.309 106 H C 1.391 176.566 175.328 -0.255 0.000 1.057 106 H CA 1.308 57.336 56.048 -0.034 0.000 1.374 106 H CB 0.083 29.785 29.762 -0.100 0.000 1.421 106 H HN 0.017 nan 8.280 nan 0.000 0.532 107 F N 0.398 120.388 119.950 0.067 0.000 2.416 107 F HA 0.205 4.731 4.527 -0.001 0.000 0.296 107 F C 0.743 176.268 175.800 -0.457 0.000 1.099 107 F CA 0.640 58.416 58.000 -0.374 0.000 1.427 107 F CB 0.110 39.079 39.000 -0.051 0.000 1.079 107 F HN 0.040 nan 8.300 nan 0.000 0.536 108 R N 1.038 121.533 120.500 -0.008 0.000 3.267 108 R HA -0.154 4.185 4.340 -0.001 0.000 0.254 108 R C -1.035 175.304 176.300 0.065 0.000 0.993 108 R CA 0.422 56.510 56.100 -0.019 0.000 0.670 108 R CB -2.066 28.176 30.300 -0.096 0.000 1.125 108 R HN 0.239 nan 8.270 nan 0.000 0.434 109 E N -1.161 119.095 120.200 0.093 0.000 2.454 109 E HA 0.365 4.714 4.350 -0.001 0.000 0.279 109 E C -2.688 173.957 176.600 0.076 0.000 1.029 109 E CA -2.201 54.254 56.400 0.092 0.000 0.831 109 E CB 0.790 30.550 29.700 0.101 0.000 1.405 109 E HN -0.208 nan 8.360 nan 0.000 0.463 110 P HA 0.080 nan 4.420 nan 0.000 0.264 110 P C -0.700 176.612 177.300 0.019 0.000 1.193 110 P CA 0.172 63.324 63.100 0.088 0.000 0.763 110 P CB 0.355 32.158 31.700 0.171 0.000 0.810 111 V N 3.724 123.662 119.914 0.039 0.000 2.325 111 V HA 0.194 4.314 4.120 -0.001 0.000 0.280 111 V C -0.019 176.080 176.094 0.009 0.000 1.016 111 V CA -0.396 61.907 62.300 0.006 0.000 0.818 111 V CB 1.340 33.213 31.823 0.083 0.000 1.019 111 V HN 0.433 nan 8.190 nan 0.000 0.434 112 S N 3.393 119.068 115.700 -0.042 0.000 2.525 112 S HA 0.740 5.210 4.470 -0.001 0.000 0.278 112 S C -0.332 174.240 174.600 -0.046 0.000 1.234 112 S CA -0.533 57.620 58.200 -0.077 0.000 1.058 112 S CB 1.565 64.672 63.200 -0.155 0.000 0.983 112 S HN 0.928 nan 8.310 nan 0.000 0.495 113 C N 2.833 122.103 119.300 -0.050 0.000 3.289 113 C HA 0.704 5.163 4.460 -0.001 0.000 0.354 113 C C -1.164 173.800 174.990 -0.043 0.000 1.201 113 C CA -0.355 58.670 59.018 0.012 0.000 1.199 113 C CB 0.282 28.085 27.740 0.106 0.000 1.511 113 C HN 1.012 nan 8.230 nan 0.000 0.506 114 V N 1.403 121.287 119.914 -0.049 0.000 3.167 114 V HA 1.034 5.153 4.120 -0.001 0.000 0.310 114 V C -0.521 175.424 176.094 -0.248 0.000 1.207 114 V CA 0.043 62.269 62.300 -0.124 0.000 1.059 114 V CB 1.486 33.255 31.823 -0.089 0.000 1.079 114 V HN 1.778 nan 8.190 nan 0.000 0.446 115 S N -0.068 115.461 115.700 -0.285 0.000 2.541 115 S HA 0.598 5.067 4.470 -0.001 0.000 0.271 115 S C -1.721 172.687 174.600 -0.320 0.000 1.133 115 S CA -0.599 57.389 58.200 -0.353 0.000 0.876 115 S CB 1.880 64.968 63.200 -0.186 0.000 1.105 115 S HN 1.061 nan 8.310 nan 0.000 0.470 116 D N 2.576 122.791 120.400 -0.307 0.000 2.348 116 D HA 0.316 4.956 4.640 -0.001 0.000 0.253 116 D C 0.231 176.461 176.300 -0.117 0.000 1.161 116 D CA -0.208 53.728 54.000 -0.107 0.000 0.876 116 D CB 0.951 41.758 40.800 0.010 0.000 1.160 116 D HN 0.525 nan 8.370 nan 0.000 0.459 117 S N 2.580 118.237 115.700 -0.071 0.000 2.494 117 S HA 0.187 4.657 4.470 -0.001 0.000 0.312 117 S C 0.193 174.755 174.600 -0.065 0.000 1.121 117 S CA -0.902 57.255 58.200 -0.072 0.000 1.068 117 S CB -0.251 62.920 63.200 -0.048 0.000 1.141 117 S HN 0.413 nan 8.310 nan 0.000 0.527 118 M N 4.527 124.070 119.600 -0.094 0.000 2.266 118 M HA 0.142 4.622 4.480 -0.001 0.000 0.340 118 M C 0.401 176.664 176.300 -0.062 0.000 1.486 118 M CA -0.058 55.193 55.300 -0.083 0.000 1.209 118 M CB 0.306 32.830 32.600 -0.127 0.000 1.714 118 M HN 0.627 nan 8.290 nan 0.000 0.459 119 T N 0.657 115.183 114.554 -0.047 0.000 2.770 119 T HA 0.052 4.402 4.350 -0.001 0.000 0.281 119 T C 1.190 175.852 174.700 -0.063 0.000 0.981 119 T CA -0.697 61.373 62.100 -0.048 0.000 0.955 119 T CB 0.901 69.745 68.868 -0.039 0.000 1.060 119 T HN 0.693 nan 8.240 nan 0.000 0.531 120 E N 0.952 121.110 120.200 -0.070 0.000 2.108 120 E HA -0.285 4.065 4.350 -0.001 0.000 0.203 120 E C 1.494 178.005 176.600 -0.148 0.000 1.022 120 E CA 2.411 58.756 56.400 -0.093 0.000 0.823 120 E CB -0.398 29.248 29.700 -0.089 0.000 0.744 120 E HN 0.742 nan 8.360 nan 0.000 0.456 121 D N 0.408 120.700 120.400 -0.181 0.000 2.158 121 D HA -0.231 4.408 4.640 -0.001 0.000 0.197 121 D C 1.885 178.037 176.300 -0.248 0.000 0.995 121 D CA 1.568 55.370 54.000 -0.331 0.000 0.846 121 D CB -0.701 39.965 40.800 -0.224 0.000 0.941 121 D HN 0.351 nan 8.370 nan 0.000 0.456 122 A N 1.289 124.055 122.820 -0.090 0.000 1.859 122 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 122 A C 2.478 180.063 177.584 0.001 0.000 1.198 122 A CA 2.896 54.931 52.037 -0.004 0.000 0.629 122 A CB -1.343 17.649 19.000 -0.012 0.000 0.830 122 A HN 0.357 nan 8.150 nan 0.000 0.446 123 A N -0.770 122.026 122.820 -0.039 0.000 1.892 123 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 123 A C 2.281 179.853 177.584 -0.021 0.000 1.188 123 A CA 2.149 54.174 52.037 -0.020 0.000 0.631 123 A CB -1.095 17.883 19.000 -0.037 0.000 0.822 123 A HN 0.468 nan 8.150 nan 0.000 0.447 124 V N -1.373 118.474 119.914 -0.113 0.000 2.223 124 V HA -0.184 3.935 4.120 -0.001 0.000 0.244 124 V C 2.103 178.239 176.094 0.070 0.000 1.045 124 V CA 1.933 64.152 62.300 -0.135 0.000 1.000 124 V CB -0.963 30.619 31.823 -0.402 0.000 0.635 124 V HN 0.543 nan 8.190 nan 0.000 0.445 125 F N 0.752 120.722 119.950 0.033 0.000 2.797 125 F HA 0.531 5.058 4.527 -0.001 0.000 0.302 125 F C 1.341 177.179 175.800 0.062 0.000 1.130 125 F CA 0.127 58.149 58.000 0.036 0.000 1.387 125 F CB -0.950 38.064 39.000 0.022 0.000 1.107 125 F HN 0.342 nan 8.300 nan 0.000 0.577 126 G N -0.205 108.746 108.800 0.252 0.000 2.712 126 G HA2 0.132 4.091 3.960 -0.001 0.000 0.683 126 G HA3 0.132 4.091 3.960 -0.001 0.000 0.683 126 G C 0.198 175.276 174.900 0.297 0.000 1.320 126 G CA -0.650 44.614 45.100 0.273 0.000 0.847 126 G HN 0.624 nan 8.290 nan 0.000 0.553 127 G N -0.853 108.230 108.800 0.472 0.000 4.829 127 G HA2 0.501 4.461 3.960 -0.001 0.000 0.320 127 G HA3 0.501 4.461 3.960 -0.001 0.000 0.320 127 G C 0.537 175.754 174.900 0.527 0.000 1.445 127 G CA 0.982 46.345 45.100 0.437 0.000 1.151 127 G HN 0.752 nan 8.290 nan 0.000 0.572 128 Q N 0.185 120.076 119.800 0.152 0.000 2.089 128 Q HA -0.018 4.322 4.340 -0.001 0.000 0.195 128 Q C 2.440 178.401 176.000 -0.064 0.000 0.963 128 Q CA 1.255 56.971 55.803 -0.146 0.000 0.834 128 Q CB 0.058 28.544 28.738 -0.420 0.000 0.906 128 Q HN 0.383 nan 8.270 nan 0.000 0.452 129 Q N 0.408 120.186 119.800 -0.038 0.000 2.119 129 Q HA -0.084 4.256 4.340 -0.001 0.000 0.201 129 Q C 1.629 177.595 176.000 -0.057 0.000 0.972 129 Q CA 1.633 57.387 55.803 -0.083 0.000 0.847 129 Q CB -0.407 28.309 28.738 -0.035 0.000 0.903 129 Q HN 0.699 nan 8.270 nan 0.000 0.433 130 N N 0.152 118.877 118.700 0.042 0.000 2.166 130 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 130 N C 1.884 177.474 175.510 0.134 0.000 1.019 130 N CA 1.222 54.315 53.050 0.072 0.000 0.856 130 N CB -0.268 38.262 38.487 0.072 0.000 0.993 130 N HN 0.118 nan 8.380 nan 0.000 0.426 131 M N 2.007 121.733 119.600 0.211 0.000 2.099 131 M HA -0.050 4.429 4.480 -0.001 0.000 0.262 131 M C 1.747 178.038 176.300 -0.015 0.000 1.067 131 M CA 1.493 56.935 55.300 0.238 0.000 1.124 131 M CB -0.151 32.631 32.600 0.304 0.000 1.353 131 M HN -0.068 nan 8.290 nan 0.000 0.410 132 K N 0.098 120.387 120.400 -0.186 0.000 1.985 132 K HA -0.157 4.162 4.320 -0.001 0.000 0.210 132 K C 1.805 178.032 176.600 -0.622 0.000 1.047 132 K CA 1.783 57.739 56.287 -0.550 0.000 0.932 132 K CB -0.565 31.415 32.500 -0.867 0.000 0.716 132 K HN 0.400 nan 8.250 nan 0.000 0.439 133 D N 0.165 120.307 120.400 -0.430 0.000 2.077 133 D HA -0.108 4.531 4.640 -0.001 0.000 0.196 133 D C 2.119 178.419 176.300 -0.001 0.000 0.986 133 D CA 1.506 55.407 54.000 -0.166 0.000 0.829 133 D CB -0.780 39.993 40.800 -0.044 0.000 0.983 133 D HN 0.347 nan 8.370 nan 0.000 0.453 134 G N 1.410 110.251 108.800 0.068 0.000 2.547 134 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.221 134 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.221 134 G C 1.833 176.876 174.900 0.238 0.000 1.140 134 G CA 0.748 45.977 45.100 0.215 0.000 0.760 134 G HN 0.251 nan 8.290 nan 0.000 0.583 135 L N -0.316 120.938 121.223 0.050 0.000 2.083 135 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 135 L C 3.018 179.857 176.870 -0.051 0.000 1.083 135 L CA 1.578 56.336 54.840 -0.137 0.000 0.752 135 L CB -0.375 41.530 42.059 -0.256 0.000 0.899 135 L HN 0.363 nan 8.230 nan 0.000 0.433 136 Q N 0.417 120.236 119.800 0.031 0.000 1.969 136 Q HA -0.190 4.150 4.340 -0.001 0.000 0.198 136 Q C 1.898 177.961 176.000 0.106 0.000 0.978 136 Q CA 1.823 57.690 55.803 0.107 0.000 0.830 136 Q CB -0.072 28.820 28.738 0.257 0.000 0.896 136 Q HN 0.582 nan 8.270 nan 0.000 0.431 137 N N 0.074 118.844 118.700 0.118 0.000 2.011 137 N HA -0.247 4.492 4.740 -0.001 0.000 0.199 137 N C 2.232 177.818 175.510 0.127 0.000 1.047 137 N CA 1.428 54.542 53.050 0.108 0.000 0.863 137 N CB -0.481 38.072 38.487 0.110 0.000 1.056 137 N HN 0.377 nan 8.380 nan 0.000 0.427 138 C N 2.323 121.748 119.300 0.209 0.000 2.388 138 C HA -0.146 4.314 4.460 -0.001 0.000 0.277 138 C C 2.680 177.832 174.990 0.270 0.000 1.210 138 C CA 1.028 60.242 59.018 0.326 0.000 1.743 138 C CB -1.100 26.891 27.740 0.418 0.000 2.047 138 C HN 0.377 nan 8.230 nan 0.000 0.458 139 K N 0.687 121.184 120.400 0.162 0.000 2.152 139 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 139 K C 2.059 178.760 176.600 0.168 0.000 1.048 139 K CA 1.880 58.254 56.287 0.145 0.000 0.933 139 K CB -0.467 32.004 32.500 -0.048 0.000 0.721 139 K HN 0.613 nan 8.250 nan 0.000 0.447 140 A N 0.150 123.038 122.820 0.113 0.000 1.930 140 A HA -0.040 4.280 4.320 -0.001 0.000 0.215 140 A C 2.117 179.714 177.584 0.021 0.000 1.176 140 A CA 1.625 53.707 52.037 0.076 0.000 0.632 140 A CB -0.438 18.597 19.000 0.059 0.000 0.819 140 A HN 0.393 nan 8.150 nan 0.000 0.445 141 T N -1.352 113.172 114.554 -0.051 0.000 2.781 141 T HA -0.025 4.324 4.350 -0.001 0.000 0.252 141 T C 1.311 175.818 174.700 -0.322 0.000 1.039 141 T CA 1.409 63.340 62.100 -0.282 0.000 1.147 141 T CB -0.390 68.136 68.868 -0.571 0.000 0.865 141 T HN 0.555 nan 8.240 nan 0.000 0.423 142 Y N 1.236 121.638 120.300 0.171 0.000 2.461 142 Y HA 0.334 4.883 4.550 -0.001 0.000 0.277 142 Y C 0.682 176.755 175.900 0.289 0.000 1.182 142 Y CA -0.560 57.681 58.100 0.236 0.000 1.276 142 Y CB -0.391 38.225 38.460 0.260 0.000 1.087 142 Y HN 0.042 nan 8.280 nan 0.000 0.519 143 K N -0.228 120.346 120.400 0.290 0.000 3.415 143 K HA -0.215 4.104 4.320 -0.001 0.000 0.271 143 K C -2.616 174.087 176.600 0.172 0.000 0.876 143 K CA -0.209 56.213 56.287 0.225 0.000 0.670 143 K CB -1.356 31.236 32.500 0.153 0.000 1.510 143 K HN 0.262 nan 8.250 nan 0.000 0.455 144 P HA -0.021 nan 4.420 nan 0.000 0.272 144 P C 0.409 177.711 177.300 0.003 0.000 1.254 144 P CA -0.083 63.055 63.100 0.064 0.000 0.795 144 P CB 0.524 32.393 31.700 0.282 0.000 1.022 145 D N -1.198 119.108 120.400 -0.157 0.000 2.388 145 D HA 0.194 4.834 4.640 -0.001 0.000 0.208 145 D C 0.507 176.567 176.300 -0.400 0.000 1.035 145 D CA 0.833 54.629 54.000 -0.340 0.000 0.875 145 D CB 0.326 40.977 40.800 -0.248 0.000 0.984 145 D HN 0.206 nan 8.370 nan 0.000 0.508 146 M N 0.373 120.003 119.600 0.050 0.000 2.520 146 M HA 0.396 4.875 4.480 -0.001 0.000 0.280 146 M C -2.080 174.430 176.300 0.350 0.000 1.232 146 M CA -0.519 54.976 55.300 0.325 0.000 0.892 146 M CB 2.515 35.186 32.600 0.118 0.000 1.728 146 M HN -0.319 nan 8.290 nan 0.000 0.475 147 I N 3.020 123.748 120.570 0.263 0.000 2.478 147 I HA 0.564 4.734 4.170 -0.001 0.000 0.287 147 I C -0.643 175.480 176.117 0.009 0.000 1.042 147 I CA -0.756 60.600 61.300 0.094 0.000 1.067 147 I CB 2.089 40.019 38.000 -0.117 0.000 1.233 147 I HN 0.801 nan 8.210 nan 0.000 0.431 148 A N 7.079 129.942 122.820 0.071 0.000 2.322 148 A HA 0.633 4.952 4.320 -0.001 0.000 0.327 148 A C -0.254 177.409 177.584 0.131 0.000 1.394 148 A CA -0.492 51.567 52.037 0.036 0.000 0.921 148 A CB 0.437 19.445 19.000 0.013 0.000 1.153 148 A HN 0.457 nan 8.150 nan 0.000 0.523 149 V N 2.612 122.604 119.914 0.129 0.000 2.655 149 V HA 0.335 4.454 4.120 -0.001 0.000 0.300 149 V C 0.638 176.884 176.094 0.253 0.000 1.044 149 V CA 0.293 62.745 62.300 0.254 0.000 1.095 149 V CB 0.632 32.547 31.823 0.154 0.000 0.952 149 V HN 0.894 nan 8.190 nan 0.000 0.485 150 S N 2.342 118.217 115.700 0.292 0.000 2.671 150 S HA 0.812 5.282 4.470 -0.001 0.000 0.299 150 S C -0.227 174.508 174.600 0.225 0.000 1.116 150 S CA -0.690 57.640 58.200 0.216 0.000 0.912 150 S CB 2.187 65.495 63.200 0.180 0.000 1.130 150 S HN 0.934 nan 8.310 nan 0.000 0.501 151 T N 0.850 115.500 114.554 0.161 0.000 2.923 151 T HA 0.674 5.024 4.350 -0.001 0.000 0.311 151 T C -0.504 174.255 174.700 0.098 0.000 1.183 151 T CA -0.413 61.765 62.100 0.131 0.000 1.020 151 T CB 1.436 70.341 68.868 0.062 0.000 1.165 151 T HN 0.862 nan 8.240 nan 0.000 0.482 152 T N -0.063 114.542 114.554 0.083 0.000 2.910 152 T HA 0.348 4.698 4.350 -0.001 0.000 0.279 152 T C 1.959 176.688 174.700 0.049 0.000 0.989 152 T CA -0.018 62.136 62.100 0.090 0.000 0.968 152 T CB 0.111 69.029 68.868 0.084 0.000 1.135 152 T HN 0.869 nan 8.240 nan 0.000 0.562 153 C N 0.525 119.878 119.300 0.087 0.000 2.403 153 C HA -0.097 4.362 4.460 -0.001 0.000 0.277 153 C C 2.791 177.876 174.990 0.159 0.000 1.248 153 C CA 0.313 59.450 59.018 0.198 0.000 1.762 153 C CB -1.704 26.215 27.740 0.298 0.000 2.014 153 C HN 0.802 nan 8.230 nan 0.000 0.486 154 M N 1.827 121.474 119.600 0.079 0.000 2.089 154 M HA -0.221 4.258 4.480 -0.001 0.000 0.257 154 M C 2.374 178.692 176.300 0.030 0.000 1.071 154 M CA 2.631 57.953 55.300 0.037 0.000 1.096 154 M CB -1.064 31.531 32.600 -0.009 0.000 1.330 154 M HN 0.491 nan 8.290 nan 0.000 0.403 155 A N -1.122 121.707 122.820 0.015 0.000 2.021 155 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 155 A C 1.877 179.444 177.584 -0.029 0.000 1.163 155 A CA 0.880 52.920 52.037 0.006 0.000 0.676 155 A CB -0.354 18.689 19.000 0.072 0.000 0.818 155 A HN 0.455 nan 8.150 nan 0.000 0.453 156 E N 0.186 120.392 120.200 0.009 0.000 2.031 156 E HA -0.123 4.227 4.350 -0.001 0.000 0.193 156 E C 2.251 178.936 176.600 0.142 0.000 0.994 156 E CA 1.407 57.835 56.400 0.046 0.000 0.800 156 E CB -0.724 29.023 29.700 0.077 0.000 0.752 156 E HN 0.339 nan 8.360 nan 0.000 0.447 157 V N 2.729 122.757 119.914 0.189 0.000 2.261 157 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 157 V C 2.576 178.710 176.094 0.067 0.000 1.047 157 V CA 2.005 64.375 62.300 0.116 0.000 1.015 157 V CB -0.817 31.047 31.823 0.068 0.000 0.642 157 V HN 0.367 nan 8.190 nan 0.000 0.446 158 I N -0.323 120.281 120.570 0.056 0.000 2.700 158 I HA 0.114 4.284 4.170 -0.001 0.000 0.261 158 I C 1.470 177.616 176.117 0.048 0.000 1.219 158 I CA 1.057 62.390 61.300 0.055 0.000 1.463 158 I CB -1.215 36.822 38.000 0.063 0.000 1.092 158 I HN 0.460 nan 8.210 nan 0.000 0.452 159 G N 2.311 111.120 108.800 0.016 0.000 2.314 159 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.292 159 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.292 159 G C -0.504 174.357 174.900 -0.066 0.000 1.059 159 G CA 0.332 45.425 45.100 -0.012 0.000 0.982 159 G HN 0.549 nan 8.290 nan 0.000 0.505 160 D N 0.339 120.623 120.400 -0.193 0.000 2.401 160 D HA 0.318 4.958 4.640 -0.001 0.000 0.254 160 D C 0.512 176.412 176.300 -0.666 0.000 1.192 160 D CA 0.132 53.832 54.000 -0.500 0.000 0.885 160 D CB 0.910 41.325 40.800 -0.642 0.000 1.147 160 D HN 0.296 nan 8.370 nan 0.000 0.478 161 D N 2.947 123.044 120.400 -0.504 0.000 2.344 161 D HA 0.026 4.665 4.640 -0.001 0.000 0.253 161 D C 1.223 177.216 176.300 -0.513 0.000 1.255 161 D CA -0.164 53.711 54.000 -0.209 0.000 0.894 161 D CB 0.438 41.295 40.800 0.094 0.000 1.067 161 D HN 0.302 nan 8.370 nan 0.000 0.492 162 L N 3.484 124.456 121.223 -0.418 0.000 2.012 162 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 162 L C 2.337 178.818 176.870 -0.647 0.000 1.073 162 L CA 0.734 55.225 54.840 -0.581 0.000 0.748 162 L CB -0.642 41.186 42.059 -0.386 0.000 0.891 162 L HN 0.514 nan 8.230 nan 0.000 0.431 163 N N 0.831 118.971 118.700 -0.933 0.000 2.005 163 N HA -0.254 4.486 4.740 -0.001 0.000 0.199 163 N C 1.831 177.173 175.510 -0.280 0.000 1.054 163 N CA 2.276 54.816 53.050 -0.850 0.000 0.864 163 N CB -0.121 38.070 38.487 -0.493 0.000 1.063 163 N HN 0.302 nan 8.380 nan 0.000 0.428 164 A N 0.572 123.342 122.820 -0.083 0.000 1.859 164 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 164 A C 2.254 179.885 177.584 0.078 0.000 1.198 164 A CA 1.698 53.758 52.037 0.037 0.000 0.629 164 A CB -1.292 17.780 19.000 0.120 0.000 0.830 164 A HN 0.382 nan 8.150 nan 0.000 0.446 165 F N -0.102 119.736 119.950 -0.185 0.000 2.115 165 F HA -0.229 4.298 4.527 -0.001 0.000 0.300 165 F C 2.205 177.896 175.800 -0.181 0.000 1.092 165 F CA 1.247 59.141 58.000 -0.178 0.000 1.245 165 F CB -0.780 38.077 39.000 -0.238 0.000 0.995 165 F HN 0.155 nan 8.300 nan 0.000 0.481 166 I N -0.174 120.382 120.570 -0.024 0.000 2.163 166 I HA -0.327 3.842 4.170 -0.001 0.000 0.240 166 I C 2.223 178.315 176.117 -0.042 0.000 1.081 166 I CA 1.320 62.572 61.300 -0.079 0.000 1.353 166 I CB -0.473 37.452 38.000 -0.126 0.000 1.054 166 I HN 0.133 nan 8.210 nan 0.000 0.407 167 N N 1.139 119.818 118.700 -0.036 0.000 2.205 167 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 167 N C 1.449 176.956 175.510 -0.004 0.000 1.015 167 N CA 1.201 54.243 53.050 -0.013 0.000 0.862 167 N CB -0.587 37.889 38.487 -0.019 0.000 0.986 167 N HN 0.481 nan 8.380 nan 0.000 0.429 168 N N 1.192 119.878 118.700 -0.022 0.000 2.039 168 N HA -0.074 4.666 4.740 -0.001 0.000 0.193 168 N C 1.729 177.263 175.510 0.039 0.000 1.044 168 N CA 1.153 54.193 53.050 -0.017 0.000 0.847 168 N CB -0.384 38.056 38.487 -0.079 0.000 1.030 168 N HN 0.136 nan 8.380 nan 0.000 0.422 169 S N 1.575 117.284 115.700 0.015 0.000 2.392 169 S HA -0.140 4.329 4.470 -0.001 0.000 0.232 169 S C 1.803 176.524 174.600 0.202 0.000 1.041 169 S CA 1.203 59.459 58.200 0.094 0.000 1.026 169 S CB -0.105 63.058 63.200 -0.063 0.000 0.845 169 S HN 0.328 nan 8.310 nan 0.000 0.465 170 K N 1.436 121.891 120.400 0.092 0.000 1.973 170 K HA -0.066 4.253 4.320 -0.001 0.000 0.210 170 K C 2.287 178.931 176.600 0.074 0.000 1.045 170 K CA 1.139 57.474 56.287 0.080 0.000 0.937 170 K CB -0.562 31.968 32.500 0.050 0.000 0.721 170 K HN 0.365 nan 8.250 nan 0.000 0.438 171 K N 1.542 121.973 120.400 0.053 0.000 2.074 171 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 171 K C 1.738 178.363 176.600 0.042 0.000 1.048 171 K CA 1.699 58.007 56.287 0.034 0.000 0.926 171 K CB -0.030 32.482 32.500 0.019 0.000 0.713 171 K HN -0.035 nan 8.250 nan 0.000 0.444 172 E N -0.543 119.713 120.200 0.094 0.000 2.515 172 E HA -0.011 4.338 4.350 -0.001 0.000 0.201 172 E C 0.444 177.032 176.600 -0.021 0.000 1.071 172 E CA 0.853 57.321 56.400 0.114 0.000 0.880 172 E CB 0.003 29.885 29.700 0.303 0.000 0.828 172 E HN 0.610 nan 8.360 nan 0.000 0.540 173 G N -0.721 108.075 108.800 -0.008 0.000 2.212 173 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.255 173 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.255 173 G C 0.338 175.077 174.900 -0.267 0.000 1.062 173 G CA 0.320 45.341 45.100 -0.132 0.000 0.815 173 G HN 0.323 nan 8.290 nan 0.000 0.497 174 F N -0.173 119.770 119.950 -0.012 0.000 2.559 174 F HA 0.411 4.937 4.527 -0.001 0.000 0.286 174 F C 1.604 177.392 175.800 -0.020 0.000 1.108 174 F CA 0.807 58.798 58.000 -0.014 0.000 1.436 174 F CB 0.406 39.392 39.000 -0.023 0.000 1.130 174 F HN 0.423 nan 8.300 nan 0.000 0.584 175 I N -2.829 117.831 120.570 0.151 0.000 2.619 175 I HA 0.521 4.691 4.170 -0.001 0.000 0.292 175 I C -2.936 173.240 176.117 0.099 0.000 1.100 175 I CA -2.633 58.711 61.300 0.072 0.000 1.043 175 I CB 1.901 39.861 38.000 -0.065 0.000 1.239 175 I HN -0.322 nan 8.210 nan 0.000 0.420 176 P HA -0.045 nan 4.420 nan 0.000 0.256 176 P C 0.354 177.751 177.300 0.161 0.000 1.173 176 P CA 0.339 63.532 63.100 0.155 0.000 0.768 176 P CB 0.351 32.171 31.700 0.200 0.000 0.758 177 D N 3.560 124.024 120.400 0.106 0.000 2.239 177 D HA -0.208 4.432 4.640 -0.001 0.000 0.202 177 D C 1.295 177.668 176.300 0.121 0.000 0.993 177 D CA 1.107 55.164 54.000 0.095 0.000 0.874 177 D CB 0.296 41.130 40.800 0.057 0.000 0.922 177 D HN 0.528 nan 8.370 nan 0.000 0.464 178 E N -0.133 120.146 120.200 0.131 0.000 2.479 178 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 178 E C 0.583 177.299 176.600 0.193 0.000 1.049 178 E CA -0.373 56.105 56.400 0.130 0.000 0.870 178 E CB -0.904 28.843 29.700 0.078 0.000 0.944 178 E HN 0.289 nan 8.360 nan 0.000 0.492 179 F N 3.309 123.295 119.950 0.059 0.000 2.541 179 F HA 0.185 4.711 4.527 -0.001 0.000 0.378 179 F C -1.978 173.841 175.800 0.031 0.000 1.068 179 F CA -2.375 55.650 58.000 0.041 0.000 1.199 179 F CB 0.694 39.711 39.000 0.028 0.000 1.091 179 F HN -0.192 nan 8.300 nan 0.000 0.555 180 P HA -0.004 nan 4.420 nan 0.000 0.261 180 P C -0.960 176.337 177.300 -0.005 0.000 1.203 180 P CA 0.397 63.510 63.100 0.022 0.000 0.767 180 P CB 0.710 32.397 31.700 -0.022 0.000 0.785 181 V N 7.065 126.768 119.914 -0.352 0.000 2.546 181 V HA 0.198 4.317 4.120 -0.001 0.000 0.260 181 V C -2.214 173.755 176.094 -0.209 0.000 0.933 181 V CA -1.583 60.587 62.300 -0.216 0.000 0.994 181 V CB 1.209 32.961 31.823 -0.119 0.000 1.160 181 V HN 0.407 nan 8.190 nan 0.000 0.523 182 P HA 0.274 nan 4.420 nan 0.000 0.268 182 P C -0.678 176.620 177.300 -0.004 0.000 1.208 182 P CA 0.366 63.301 63.100 -0.274 0.000 0.777 182 P CB 0.388 31.821 31.700 -0.445 0.000 0.875 183 F N -0.317 119.586 119.950 -0.078 0.000 2.685 183 F HA 0.891 5.418 4.527 -0.001 0.000 0.315 183 F C -1.657 174.109 175.800 -0.057 0.000 1.126 183 F CA -1.466 56.505 58.000 -0.049 0.000 0.950 183 F CB 1.023 40.006 39.000 -0.028 0.000 1.360 183 F HN 0.423 nan 8.300 nan 0.000 0.469 184 A N 0.387 123.313 122.820 0.177 0.000 2.577 184 A HA 0.512 4.831 4.320 -0.001 0.000 0.297 184 A C -2.093 175.665 177.584 0.290 0.000 1.060 184 A CA -0.697 51.381 52.037 0.068 0.000 0.697 184 A CB 0.745 19.712 19.000 -0.055 0.000 1.281 184 A HN 1.019 nan 8.150 nan 0.000 0.402 185 H N 1.315 120.434 119.070 0.082 0.000 2.620 185 H HA 0.415 4.970 4.556 -0.001 0.000 0.313 185 H C 0.103 175.426 175.328 -0.009 0.000 1.075 185 H CA 0.569 56.641 56.048 0.040 0.000 1.397 185 H CB 1.028 30.805 29.762 0.025 0.000 1.446 185 H HN 0.637 nan 8.280 nan 0.000 0.493 186 T N 1.385 115.981 114.554 0.070 0.000 3.390 186 T HA 0.201 4.551 4.350 -0.001 0.000 0.351 186 T C -2.764 171.867 174.700 -0.115 0.000 1.759 186 T CA -2.218 59.878 62.100 -0.006 0.000 1.561 186 T CB 0.447 69.328 68.868 0.022 0.000 1.011 186 T HN 0.281 nan 8.240 nan 0.000 0.689 187 P HA 0.070 nan 4.420 nan 0.000 0.252 187 P C 1.132 178.116 177.300 -0.527 0.000 1.183 187 P CA 0.230 62.955 63.100 -0.626 0.000 0.973 187 P CB 0.188 31.488 31.700 -0.666 0.000 0.990 188 S N 2.957 118.431 115.700 -0.378 0.000 2.419 188 S HA -0.208 4.262 4.470 -0.001 0.000 0.235 188 S C 1.104 175.654 174.600 -0.083 0.000 1.019 188 S CA 1.098 59.216 58.200 -0.135 0.000 0.982 188 S CB -1.017 62.195 63.200 0.019 0.000 0.789 188 S HN 0.537 nan 8.310 nan 0.000 0.490 189 F N 1.003 120.970 119.950 0.030 0.000 2.757 189 F HA 0.729 5.255 4.527 -0.001 0.000 0.292 189 F C -0.125 175.682 175.800 0.012 0.000 1.204 189 F CA -1.269 56.740 58.000 0.016 0.000 1.417 189 F CB -0.713 38.294 39.000 0.012 0.000 1.001 189 F HN -0.121 nan 8.300 nan 0.000 0.508 190 V N -0.369 119.566 119.914 0.034 0.000 3.120 190 V HA 0.729 4.848 4.120 -0.001 0.000 0.303 190 V C 0.730 176.820 176.094 -0.005 0.000 1.238 190 V CA -0.653 61.676 62.300 0.049 0.000 1.008 190 V CB 1.159 32.989 31.823 0.011 0.000 1.064 190 V HN 0.628 nan 8.190 nan 0.000 0.434 191 G N 3.579 112.380 108.800 0.000 0.000 2.627 191 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.312 191 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.312 191 G C 0.271 175.145 174.900 -0.044 0.000 1.299 191 G CA 1.114 46.198 45.100 -0.027 0.000 0.989 191 G HN 2.078 nan 8.290 nan 0.000 0.547 192 S N -2.649 113.007 115.700 -0.074 0.000 2.843 192 S HA 0.618 5.087 4.470 -0.001 0.000 0.301 192 S C 1.035 175.559 174.600 -0.126 0.000 1.206 192 S CA 0.609 58.767 58.200 -0.070 0.000 0.875 192 S CB 0.958 64.098 63.200 -0.099 0.000 1.248 192 S HN 1.642 nan 8.310 nan 0.000 0.555 193 H N 0.909 119.863 119.070 -0.194 0.000 2.387 193 H HA -0.063 4.493 4.556 -0.001 0.000 0.299 193 H C 2.200 177.322 175.328 -0.344 0.000 1.090 193 H CA 2.147 58.030 56.048 -0.275 0.000 1.332 193 H CB -1.388 28.120 29.762 -0.423 0.000 1.386 193 H HN 0.591 nan 8.280 nan 0.000 0.516 194 V N -0.142 119.050 119.914 -1.205 0.000 2.490 194 V HA -0.189 3.930 4.120 -0.001 0.000 0.250 194 V C 2.262 178.244 176.094 -0.187 0.000 1.061 194 V CA 2.150 63.939 62.300 -0.852 0.000 1.064 194 V CB -1.319 29.926 31.823 -0.963 0.000 0.670 194 V HN 0.363 nan 8.190 nan 0.000 0.461 195 T N 1.167 115.637 114.554 -0.140 0.000 2.746 195 T HA 0.004 4.354 4.350 -0.001 0.000 0.267 195 T C 1.948 176.699 174.700 0.085 0.000 1.039 195 T CA 1.773 63.883 62.100 0.018 0.000 1.142 195 T CB -0.917 67.939 68.868 -0.020 0.000 0.866 195 T HN 0.734 nan 8.240 nan 0.000 0.444 196 G N -0.070 108.763 108.800 0.056 0.000 2.476 196 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 196 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 196 G C 1.323 176.331 174.900 0.179 0.000 1.164 196 G CA 0.802 45.956 45.100 0.090 0.000 0.768 196 G HN 0.548 nan 8.290 nan 0.000 0.560 197 W N 1.166 122.545 121.300 0.131 0.000 2.325 197 W HA -0.115 4.544 4.660 -0.001 0.000 0.299 197 W C 2.269 178.940 176.519 0.253 0.000 1.215 197 W CA 1.730 59.220 57.345 0.242 0.000 1.244 197 W CB 0.031 29.688 29.460 0.328 0.000 1.140 197 W HN 0.204 nan 8.180 nan 0.000 0.523 198 D N -0.822 119.852 120.400 0.456 0.000 2.075 198 D HA -0.193 4.446 4.640 -0.001 0.000 0.196 198 D C 1.755 178.160 176.300 0.175 0.000 0.985 198 D CA 1.878 56.086 54.000 0.347 0.000 0.834 198 D CB -0.741 40.212 40.800 0.255 0.000 0.987 198 D HN 0.292 nan 8.370 nan 0.000 0.452 199 N N -0.435 118.322 118.700 0.095 0.000 2.061 199 N HA -0.227 4.513 4.740 -0.001 0.000 0.193 199 N C 1.781 177.260 175.510 -0.052 0.000 1.030 199 N CA 1.139 54.191 53.050 0.004 0.000 0.856 199 N CB -0.164 38.328 38.487 0.008 0.000 1.023 199 N HN 0.119 nan 8.380 nan 0.000 0.424 200 M N 0.574 120.155 119.600 -0.033 0.000 2.086 200 M HA -0.085 4.394 4.480 -0.001 0.000 0.261 200 M C 1.728 177.935 176.300 -0.156 0.000 1.067 200 M CA 1.396 56.639 55.300 -0.096 0.000 1.116 200 M CB -0.589 31.956 32.600 -0.092 0.000 1.348 200 M HN 0.146 nan 8.290 nan 0.000 0.407 201 F N 0.924 120.693 119.950 -0.301 0.000 2.014 201 F HA -0.218 4.309 4.527 -0.001 0.000 0.295 201 F C 2.423 178.111 175.800 -0.187 0.000 1.145 201 F CA 2.520 60.355 58.000 -0.274 0.000 1.178 201 F CB -1.032 37.791 39.000 -0.295 0.000 0.972 201 F HN 0.337 nan 8.300 nan 0.000 0.476 202 E N 0.615 120.725 120.200 -0.150 0.000 2.136 202 E HA -0.267 4.083 4.350 -0.001 0.000 0.202 202 E C 2.352 178.628 176.600 -0.541 0.000 1.019 202 E CA 1.698 57.890 56.400 -0.348 0.000 0.819 202 E CB -1.107 28.490 29.700 -0.171 0.000 0.739 202 E HN 0.573 nan 8.360 nan 0.000 0.458 203 G N 1.528 110.067 108.800 -0.436 0.000 2.529 203 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.219 203 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.219 203 G C 1.830 176.446 174.900 -0.474 0.000 1.177 203 G CA 1.424 46.230 45.100 -0.491 0.000 0.773 203 G HN 0.357 nan 8.290 nan 0.000 0.573 204 I N 1.370 121.658 120.570 -0.471 0.000 2.252 204 I HA -0.124 4.045 4.170 -0.001 0.000 0.245 204 I C 3.320 179.285 176.117 -0.255 0.000 1.102 204 I CA 0.831 61.889 61.300 -0.403 0.000 1.385 204 I CB -0.288 37.330 38.000 -0.636 0.000 1.064 204 I HN 0.254 nan 8.210 nan 0.000 0.414 205 A N 0.788 123.326 122.820 -0.470 0.000 1.927 205 A HA -0.278 4.041 4.320 -0.001 0.000 0.220 205 A C 2.424 180.090 177.584 0.137 0.000 1.185 205 A CA 1.936 53.912 52.037 -0.102 0.000 0.639 205 A CB -0.648 18.205 19.000 -0.245 0.000 0.820 205 A HN 0.326 nan 8.150 nan 0.000 0.451 206 R N -2.626 117.669 120.500 -0.342 0.000 2.057 206 R HA -0.088 4.251 4.340 -0.001 0.000 0.229 206 R C 2.116 178.363 176.300 -0.089 0.000 1.136 206 R CA 1.442 57.372 56.100 -0.282 0.000 0.952 206 R CB -0.512 29.379 30.300 -0.682 0.000 0.848 206 R HN 0.663 nan 8.270 nan 0.000 0.430 207 Y N -0.028 120.062 120.300 -0.351 0.000 2.173 207 Y HA -0.304 4.245 4.550 -0.001 0.000 0.282 207 Y C 1.339 176.933 175.900 -0.510 0.000 1.192 207 Y CA 1.847 59.658 58.100 -0.481 0.000 1.176 207 Y CB -0.056 37.976 38.460 -0.714 0.000 0.969 207 Y HN 0.040 nan 8.280 nan 0.000 0.519 208 F N -1.758 118.279 119.950 0.146 0.000 2.749 208 F HA 0.053 4.579 4.527 -0.001 0.000 0.300 208 F C 1.935 177.765 175.800 0.049 0.000 1.103 208 F CA 0.874 58.930 58.000 0.094 0.000 1.342 208 F CB 0.132 39.157 39.000 0.042 0.000 1.098 208 F HN 0.061 nan 8.300 nan 0.000 0.586 209 T N -4.207 110.484 114.554 0.229 0.000 3.057 209 T HA 0.070 4.420 4.350 -0.001 0.000 0.254 209 T C 1.638 176.449 174.700 0.185 0.000 0.965 209 T CA 0.068 62.285 62.100 0.194 0.000 0.978 209 T CB -0.621 68.419 68.868 0.286 0.000 1.169 209 T HN 0.026 nan 8.240 nan 0.000 0.489 210 L N 2.079 123.451 121.223 0.248 0.000 1.997 210 L HA -0.082 4.257 4.340 -0.001 0.000 0.216 210 L C 2.281 179.195 176.870 0.072 0.000 1.074 210 L CA 2.061 57.017 54.840 0.194 0.000 0.763 210 L CB -0.549 41.585 42.059 0.125 0.000 0.890 210 L HN 0.243 nan 8.230 nan 0.000 0.434 211 K N -1.386 119.020 120.400 0.010 0.000 2.025 211 K HA 0.020 4.340 4.320 -0.001 0.000 0.207 211 K C 1.496 178.094 176.600 -0.005 0.000 1.049 211 K CA 1.413 57.689 56.287 -0.018 0.000 0.933 211 K CB -0.341 32.121 32.500 -0.063 0.000 0.714 211 K HN 0.165 nan 8.250 nan 0.000 0.438 212 S N 0.972 116.673 115.700 0.001 0.000 2.768 212 S HA 0.125 4.595 4.470 -0.001 0.000 0.246 212 S C 0.874 175.465 174.600 -0.015 0.000 1.006 212 S CA 0.061 58.257 58.200 -0.006 0.000 1.075 212 S CB -0.044 63.155 63.200 -0.002 0.000 0.786 212 S HN 0.152 nan 8.310 nan 0.000 0.468 213 M N 2.159 121.757 119.600 -0.004 0.000 2.254 213 M HA -0.050 4.430 4.480 -0.001 0.000 0.265 213 M C 1.948 178.235 176.300 -0.023 0.000 1.066 213 M CA 0.982 56.273 55.300 -0.015 0.000 1.123 213 M CB -1.133 31.477 32.600 0.015 0.000 1.388 213 M HN 0.419 nan 8.290 nan 0.000 0.425 214 D N 0.669 121.061 120.400 -0.014 0.000 2.149 214 D HA -0.230 4.410 4.640 -0.001 0.000 0.198 214 D C 0.811 177.100 176.300 -0.018 0.000 0.990 214 D CA 1.850 55.842 54.000 -0.014 0.000 0.839 214 D CB -0.832 39.962 40.800 -0.010 0.000 0.948 214 D HN 0.526 nan 8.370 nan 0.000 0.460 215 D N -0.814 119.572 120.400 -0.024 0.000 2.368 215 D HA 0.060 4.700 4.640 -0.001 0.000 0.218 215 D C -0.177 176.102 176.300 -0.034 0.000 1.112 215 D CA -0.481 53.504 54.000 -0.025 0.000 0.834 215 D CB 0.025 40.812 40.800 -0.022 0.000 0.953 215 D HN 0.071 nan 8.370 nan 0.000 0.505 216 K N 0.404 120.777 120.400 -0.045 0.000 2.182 216 K HA 0.543 4.863 4.320 -0.001 0.000 0.262 216 K C -0.857 175.719 176.600 -0.041 0.000 0.957 216 K CA -1.065 55.186 56.287 -0.060 0.000 0.842 216 K CB 2.911 35.346 32.500 -0.108 0.000 1.099 216 K HN -0.116 nan 8.250 nan 0.000 0.438 217 V N 2.355 122.251 119.914 -0.030 0.000 2.483 217 V HA 0.143 4.263 4.120 -0.001 0.000 0.295 217 V C 0.147 176.248 176.094 0.011 0.000 1.035 217 V CA -1.151 61.144 62.300 -0.009 0.000 0.896 217 V CB 1.795 33.613 31.823 -0.008 0.000 0.986 217 V HN 0.499 nan 8.190 nan 0.000 0.447 218 V N 4.114 124.052 119.914 0.039 0.000 2.425 218 V HA 0.391 4.510 4.120 -0.001 0.000 0.276 218 V C 1.244 177.361 176.094 0.039 0.000 1.017 218 V CA 1.187 63.538 62.300 0.085 0.000 1.062 218 V CB -0.055 31.828 31.823 0.101 0.000 0.997 218 V HN 1.372 nan 8.190 nan 0.000 0.476 219 G N 4.094 112.914 108.800 0.034 0.000 2.291 219 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.271 219 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.271 219 G C 0.633 175.530 174.900 -0.005 0.000 1.099 219 G CA 0.236 45.335 45.100 -0.001 0.000 0.919 219 G HN 0.719 nan 8.290 nan 0.000 0.496 220 S N -0.142 115.554 115.700 -0.006 0.000 2.425 220 S HA -0.033 4.437 4.470 -0.001 0.000 0.225 220 S C 1.921 176.509 174.600 -0.019 0.000 1.024 220 S CA 1.293 59.484 58.200 -0.015 0.000 0.951 220 S CB -0.065 63.122 63.200 -0.022 0.000 0.796 220 S HN 0.970 nan 8.310 nan 0.000 0.498 221 N N 0.480 119.168 118.700 -0.020 0.000 2.236 221 N HA 0.139 4.878 4.740 -0.001 0.000 0.196 221 N C -0.103 175.395 175.510 -0.020 0.000 1.114 221 N CA -0.079 52.957 53.050 -0.024 0.000 0.859 221 N CB -0.213 38.256 38.487 -0.031 0.000 0.982 221 N HN -0.096 nan 8.380 nan 0.000 0.493 222 K N -0.421 119.970 120.400 -0.015 0.000 3.016 222 K HA -0.215 4.105 4.320 -0.001 0.000 0.262 222 K C -0.666 175.929 176.600 -0.009 0.000 1.043 222 K CA 0.902 57.180 56.287 -0.014 0.000 0.761 222 K CB -1.423 31.068 32.500 -0.014 0.000 1.230 222 K HN 0.583 nan 8.250 nan 0.000 0.485 223 K N -0.198 120.200 120.400 -0.002 0.000 2.303 223 K HA 0.646 4.965 4.320 -0.001 0.000 0.233 223 K C 0.359 176.982 176.600 0.038 0.000 1.046 223 K CA -0.939 55.359 56.287 0.018 0.000 0.895 223 K CB 1.155 33.660 32.500 0.009 0.000 1.220 223 K HN -0.023 nan 8.250 nan 0.000 0.470 224 I N 2.087 122.712 120.570 0.091 0.000 2.410 224 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 224 I C -0.610 175.619 176.117 0.186 0.000 1.009 224 I CA -0.907 60.455 61.300 0.104 0.000 1.111 224 I CB 1.523 39.576 38.000 0.088 0.000 1.262 224 I HN 0.437 nan 8.210 nan 0.000 0.443 225 N N 6.962 125.781 118.700 0.199 0.000 2.525 225 N HA 0.380 5.120 4.740 -0.001 0.000 0.271 225 N C -0.669 174.998 175.510 0.261 0.000 1.194 225 N CA -0.056 53.162 53.050 0.279 0.000 0.964 225 N CB 1.862 40.586 38.487 0.395 0.000 1.126 225 N HN 0.368 nan 8.380 nan 0.000 0.452 226 I N 2.240 122.973 120.570 0.271 0.000 2.439 226 I HA 0.191 4.360 4.170 -0.001 0.000 0.283 226 I C -0.437 175.793 176.117 0.189 0.000 1.023 226 I CA -0.583 60.845 61.300 0.213 0.000 1.100 226 I CB 1.504 39.612 38.000 0.179 0.000 1.238 226 I HN 0.038 nan 8.210 nan 0.000 0.445 227 V N 9.810 129.800 119.914 0.128 0.000 2.311 227 V HA 0.224 4.343 4.120 -0.001 0.000 0.275 227 V C -1.486 174.585 176.094 -0.038 0.000 1.022 227 V CA -1.203 61.111 62.300 0.022 0.000 0.830 227 V CB 1.609 33.379 31.823 -0.090 0.000 1.012 227 V HN 0.490 nan 8.190 nan 0.000 0.452 228 P HA 0.021 nan 4.420 nan 0.000 0.210 228 P C 0.871 177.928 177.300 -0.405 0.000 1.189 228 P CA 2.016 65.062 63.100 -0.090 0.000 0.920 228 P CB 0.033 31.786 31.700 0.089 0.000 0.782 229 G N -1.921 106.201 108.800 -1.130 0.000 2.610 229 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.304 229 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.304 229 G C -0.847 172.890 174.900 -1.939 0.000 1.309 229 G CA -0.613 43.448 45.100 -1.732 0.000 0.906 229 G HN 0.269 nan 8.290 nan 0.000 0.521 230 F N 1.783 120.918 119.950 -1.358 0.000 2.518 230 F HA 0.492 5.018 4.527 -0.001 0.000 0.375 230 F C 0.511 176.076 175.800 -0.391 0.000 1.097 230 F CA 0.906 58.371 58.000 -0.892 0.000 1.108 230 F CB 0.526 39.224 39.000 -0.504 0.000 1.078 230 F HN 0.710 nan 8.300 nan 0.000 0.564 231 E N 3.657 123.597 120.200 -0.434 0.000 2.263 231 E HA 0.241 4.591 4.350 -0.001 0.000 0.268 231 E C -0.099 176.346 176.600 -0.258 0.000 0.884 231 E CA -0.389 55.835 56.400 -0.292 0.000 0.766 231 E CB 1.435 30.939 29.700 -0.327 0.000 1.196 231 E HN 0.469 nan 8.360 nan 0.000 0.416 232 T N 1.039 115.445 114.554 -0.248 0.000 3.044 232 T HA 0.262 4.611 4.350 -0.001 0.000 0.260 232 T C -0.172 174.443 174.700 -0.141 0.000 1.019 232 T CA -0.067 62.008 62.100 -0.042 0.000 0.921 232 T CB -0.315 68.365 68.868 -0.315 0.000 1.053 232 T HN 0.360 nan 8.240 nan 0.000 0.533 233 Y N 2.544 122.732 120.300 -0.187 0.000 2.434 233 Y HA 0.447 4.996 4.550 -0.001 0.000 0.341 233 Y C 1.471 177.223 175.900 -0.246 0.000 0.965 233 Y CA -1.370 56.639 58.100 -0.152 0.000 1.205 233 Y CB 0.970 39.309 38.460 -0.202 0.000 1.121 233 Y HN 0.036 nan 8.280 nan 0.000 0.507 234 L N 1.563 122.887 121.223 0.167 0.000 2.131 234 L HA -0.078 4.261 4.340 -0.001 0.000 0.210 234 L C 2.289 179.216 176.870 0.095 0.000 1.092 234 L CA 1.353 56.334 54.840 0.236 0.000 0.759 234 L CB -0.852 41.426 42.059 0.365 0.000 0.903 234 L HN 0.809 nan 8.230 nan 0.000 0.435 235 G N 0.639 109.467 108.800 0.047 0.000 2.485 235 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.221 235 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.221 235 G C 1.472 176.317 174.900 -0.091 0.000 1.115 235 G CA 0.980 46.066 45.100 -0.024 0.000 0.751 235 G HN 0.399 nan 8.290 nan 0.000 0.567 236 N N 0.075 118.664 118.700 -0.185 0.000 2.250 236 N HA 0.004 4.743 4.740 -0.001 0.000 0.181 236 N C 1.983 177.395 175.510 -0.163 0.000 1.017 236 N CA 0.581 53.476 53.050 -0.260 0.000 0.866 236 N CB -0.326 37.934 38.487 -0.377 0.000 0.985 236 N HN 0.444 nan 8.380 nan 0.000 0.429 237 F N 2.079 122.017 119.950 -0.020 0.000 2.075 237 F HA -0.077 4.449 4.527 -0.001 0.000 0.297 237 F C 2.504 178.286 175.800 -0.030 0.000 1.113 237 F CA 0.677 58.663 58.000 -0.023 0.000 1.218 237 F CB 0.020 39.029 39.000 0.015 0.000 0.984 237 F HN -0.062 nan 8.300 nan 0.000 0.472 238 R N 0.234 120.846 120.500 0.187 0.000 2.080 238 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 238 R C 2.265 178.583 176.300 0.029 0.000 1.137 238 R CA 1.407 57.565 56.100 0.097 0.000 0.943 238 R CB -1.516 28.831 30.300 0.079 0.000 0.846 238 R HN 0.285 nan 8.270 nan 0.000 0.431 239 V N 1.891 121.797 119.914 -0.014 0.000 2.332 239 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 239 V C 2.294 178.352 176.094 -0.060 0.000 1.055 239 V CA 1.532 63.803 62.300 -0.048 0.000 1.038 239 V CB -0.333 31.431 31.823 -0.098 0.000 0.651 239 V HN 0.177 nan 8.190 nan 0.000 0.450 240 I N -0.049 120.471 120.570 -0.083 0.000 2.315 240 I HA -0.171 3.999 4.170 -0.001 0.000 0.248 240 I C 2.482 178.522 176.117 -0.128 0.000 1.117 240 I CA 1.662 62.897 61.300 -0.110 0.000 1.404 240 I CB -1.109 36.812 38.000 -0.131 0.000 1.071 240 I HN 0.418 nan 8.210 nan 0.000 0.419 241 K N -0.120 120.208 120.400 -0.120 0.000 2.097 241 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 241 K C 2.218 178.765 176.600 -0.088 0.000 1.050 241 K CA 0.569 56.734 56.287 -0.203 0.000 0.938 241 K CB -0.122 32.375 32.500 -0.005 0.000 0.718 241 K HN 0.148 nan 8.250 nan 0.000 0.442 242 R N 1.579 122.070 120.500 -0.015 0.000 2.073 242 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 242 R C 2.110 178.426 176.300 0.027 0.000 1.134 242 R CA 1.589 57.702 56.100 0.022 0.000 0.952 242 R CB -0.304 30.008 30.300 0.020 0.000 0.850 242 R HN 0.211 nan 8.270 nan 0.000 0.433 243 M N 0.594 120.207 119.600 0.022 0.000 2.066 243 M HA -0.199 4.281 4.480 -0.001 0.000 0.259 243 M C 2.497 178.829 176.300 0.054 0.000 1.074 243 M CA 1.761 57.098 55.300 0.061 0.000 1.114 243 M CB -0.568 32.098 32.600 0.109 0.000 1.306 243 M HN 0.080 nan 8.290 nan 0.000 0.411 244 L N -0.739 120.491 121.223 0.012 0.000 1.997 244 L HA -0.270 4.070 4.340 -0.001 0.000 0.216 244 L C 2.754 179.686 176.870 0.102 0.000 1.074 244 L CA 1.416 56.264 54.840 0.013 0.000 0.763 244 L CB -1.020 40.940 42.059 -0.166 0.000 0.890 244 L HN 0.359 nan 8.230 nan 0.000 0.434 245 S N -0.121 115.653 115.700 0.123 0.000 2.383 245 S HA -0.230 4.240 4.470 -0.001 0.000 0.229 245 S C 1.714 176.382 174.600 0.114 0.000 1.030 245 S CA 1.808 60.127 58.200 0.199 0.000 1.002 245 S CB -0.219 63.106 63.200 0.207 0.000 0.829 245 S HN 0.664 nan 8.310 nan 0.000 0.467 246 E N -0.397 119.850 120.200 0.079 0.000 2.502 246 E HA 0.091 4.441 4.350 -0.001 0.000 0.194 246 E C 1.579 178.210 176.600 0.051 0.000 1.062 246 E CA 0.397 56.832 56.400 0.057 0.000 0.867 246 E CB -0.098 29.629 29.700 0.045 0.000 0.888 246 E HN 0.502 nan 8.360 nan 0.000 0.510 247 M N -0.019 119.617 119.600 0.060 0.000 2.492 247 M HA 0.197 4.676 4.480 -0.001 0.000 0.255 247 M C 1.057 177.385 176.300 0.046 0.000 1.139 247 M CA 0.791 56.119 55.300 0.047 0.000 1.096 247 M CB 0.732 33.358 32.600 0.042 0.000 1.360 247 M HN 0.412 nan 8.290 nan 0.000 0.480 248 G N 1.656 110.494 108.800 0.063 0.000 2.160 248 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.244 248 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.244 248 G C -0.166 174.770 174.900 0.061 0.000 1.022 248 G CA -0.234 44.899 45.100 0.055 0.000 0.741 248 G HN 0.310 nan 8.290 nan 0.000 0.508 249 V N 0.486 120.458 119.914 0.098 0.000 2.465 249 V HA 0.684 4.803 4.120 -0.001 0.000 0.279 249 V C 1.255 177.452 176.094 0.172 0.000 1.045 249 V CA 0.093 62.459 62.300 0.111 0.000 0.938 249 V CB 1.672 33.556 31.823 0.102 0.000 0.986 249 V HN 0.746 nan 8.190 nan 0.000 0.467 250 G N 4.564 113.421 108.800 0.096 0.000 2.349 250 G HA2 0.504 4.464 3.960 -0.001 0.000 0.281 250 G HA3 0.504 4.464 3.960 -0.001 0.000 0.281 250 G C -0.918 174.044 174.900 0.104 0.000 1.182 250 G CA -0.020 45.099 45.100 0.032 0.000 0.899 250 G HN 0.845 nan 8.290 nan 0.000 0.455 251 Y N -0.425 119.894 120.300 0.031 0.000 2.677 251 Y HA 0.818 5.368 4.550 -0.001 0.000 0.334 251 Y C -0.547 175.386 175.900 0.055 0.000 1.154 251 Y CA -1.905 56.225 58.100 0.049 0.000 1.070 251 Y CB 1.628 40.127 38.460 0.064 0.000 1.294 251 Y HN 0.472 nan 8.280 nan 0.000 0.475 252 S N 1.805 117.671 115.700 0.276 0.000 2.750 252 S HA 0.458 4.927 4.470 -0.001 0.000 0.276 252 S C -2.146 172.655 174.600 0.335 0.000 1.165 252 S CA -0.532 57.777 58.200 0.181 0.000 1.047 252 S CB 0.571 63.833 63.200 0.104 0.000 1.056 252 S HN 0.779 nan 8.310 nan 0.000 0.481 253 L N 6.743 128.180 121.223 0.356 0.000 2.283 253 L HA 0.533 4.873 4.340 -0.001 0.000 0.287 253 L C -0.918 176.074 176.870 0.203 0.000 1.073 253 L CA -0.026 54.974 54.840 0.267 0.000 0.822 253 L CB 0.272 42.461 42.059 0.217 0.000 1.186 253 L HN 0.627 nan 8.230 nan 0.000 0.436 254 L N 5.440 126.829 121.223 0.277 0.000 2.283 254 L HA 0.382 4.721 4.340 -0.001 0.000 0.287 254 L C 0.631 177.664 176.870 0.271 0.000 1.073 254 L CA -0.512 54.569 54.840 0.402 0.000 0.822 254 L CB 0.588 43.062 42.059 0.692 0.000 1.186 254 L HN 0.874 nan 8.230 nan 0.000 0.436 255 S N 2.414 118.026 115.700 -0.148 0.000 3.817 255 S HA -0.152 4.317 4.470 -0.001 0.000 0.690 255 S C -0.667 173.701 174.600 -0.386 0.000 0.542 255 S CA -0.179 57.626 58.200 -0.660 0.000 1.437 255 S CB -0.570 62.484 63.200 -0.242 0.000 0.843 255 S HN 0.885 nan 8.310 nan 0.000 0.992 256 D N 5.037 125.167 120.400 -0.451 0.000 2.438 256 D HA 0.517 5.156 4.640 -0.001 0.000 0.257 256 D C -1.285 174.731 176.300 -0.474 0.000 1.148 256 D CA -2.158 51.550 54.000 -0.488 0.000 0.902 256 D CB 1.384 42.031 40.800 -0.255 0.000 1.062 256 D HN 0.229 nan 8.370 nan 0.000 0.518 257 P HA -0.151 nan 4.420 nan 0.000 0.218 257 P C 1.280 178.482 177.300 -0.163 0.000 1.148 257 P CA 0.671 63.555 63.100 -0.360 0.000 0.822 257 P CB 0.293 31.814 31.700 -0.299 0.000 0.784 258 E N 0.105 120.227 120.200 -0.129 0.000 2.172 258 E HA -0.312 4.037 4.350 -0.001 0.000 0.213 258 E C 1.547 178.181 176.600 0.057 0.000 1.051 258 E CA 1.690 58.137 56.400 0.077 0.000 0.860 258 E CB -0.088 29.664 29.700 0.087 0.000 0.755 258 E HN 0.268 nan 8.360 nan 0.000 0.462 259 E N -0.229 119.971 120.200 0.000 0.000 2.051 259 E HA -0.104 4.246 4.350 -0.001 0.000 0.189 259 E C 2.428 179.022 176.600 -0.011 0.000 0.979 259 E CA 1.153 57.556 56.400 0.005 0.000 0.803 259 E CB -0.352 29.344 29.700 -0.007 0.000 0.761 259 E HN 0.284 nan 8.360 nan 0.000 0.451 260 V N 1.104 120.993 119.914 -0.043 0.000 2.392 260 V HA -0.203 3.916 4.120 -0.001 0.000 0.249 260 V C 2.011 178.057 176.094 -0.081 0.000 1.059 260 V CA 1.187 63.442 62.300 -0.075 0.000 1.051 260 V CB -0.520 31.250 31.823 -0.090 0.000 0.658 260 V HN 0.098 nan 8.190 nan 0.000 0.455 261 L N 0.295 121.490 121.223 -0.046 0.000 2.645 261 L HA 0.279 4.618 4.340 -0.001 0.000 0.234 261 L C 0.606 177.548 176.870 0.121 0.000 1.165 261 L CA 1.053 55.885 54.840 -0.014 0.000 0.944 261 L CB -0.601 41.431 42.059 -0.045 0.000 1.149 261 L HN 0.414 nan 8.230 nan 0.000 0.446 262 D N -1.565 118.885 120.400 0.083 0.000 3.120 262 D HA -0.009 4.630 4.640 -0.001 0.000 0.331 262 D C 0.249 176.580 176.300 0.051 0.000 1.595 262 D CA 0.003 54.073 54.000 0.117 0.000 0.771 262 D CB 0.419 41.313 40.800 0.157 0.000 1.274 262 D HN 0.057 nan 8.370 nan 0.000 0.503 263 T N 0.033 114.587 114.554 -0.001 0.000 2.817 263 T HA 0.376 4.726 4.350 -0.001 0.000 0.295 263 T C -1.927 172.768 174.700 -0.009 0.000 0.958 263 T CA -1.021 61.056 62.100 -0.038 0.000 1.157 263 T CB 0.780 69.568 68.868 -0.134 0.000 0.898 263 T HN -0.100 nan 8.240 nan 0.000 0.536 264 P HA 0.244 nan 4.420 nan 0.000 0.266 264 P C -0.676 176.636 177.300 0.020 0.000 1.193 264 P CA -0.121 62.988 63.100 0.015 0.000 0.770 264 P CB 0.249 31.956 31.700 0.012 0.000 0.836 265 A N 2.665 125.505 122.820 0.033 0.000 2.621 265 A HA 0.262 4.581 4.320 -0.001 0.000 0.329 265 A C 0.487 178.094 177.584 0.039 0.000 1.458 265 A CA -0.191 51.873 52.037 0.045 0.000 1.052 265 A CB -0.456 18.577 19.000 0.055 0.000 1.142 265 A HN 0.604 nan 8.150 nan 0.000 0.523 266 D N 1.355 121.778 120.400 0.038 0.000 2.527 266 D HA 0.262 4.901 4.640 -0.001 0.000 0.224 266 D C 0.876 177.200 176.300 0.041 0.000 1.217 266 D CA 0.732 54.752 54.000 0.034 0.000 0.819 266 D CB 0.112 40.928 40.800 0.026 0.000 1.061 266 D HN 1.024 nan 8.370 nan 0.000 0.515 267 G N 0.612 109.444 108.800 0.053 0.000 2.278 267 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.210 267 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.210 267 G C 0.017 174.963 174.900 0.077 0.000 1.000 267 G CA -0.303 44.833 45.100 0.060 0.000 0.635 267 G HN 0.384 nan 8.290 nan 0.000 0.495 268 Q N 0.149 119.994 119.800 0.076 0.000 2.333 268 Q HA 0.604 4.943 4.340 -0.001 0.000 0.265 268 Q C -0.824 175.245 176.000 0.116 0.000 0.989 268 Q CA -0.931 54.930 55.803 0.096 0.000 0.842 268 Q CB 1.980 30.756 28.738 0.065 0.000 1.262 268 Q HN 0.325 nan 8.270 nan 0.000 0.451 269 F N 2.769 122.736 119.950 0.028 0.000 2.443 269 F HA 0.287 4.814 4.527 -0.001 0.000 0.353 269 F C -0.364 175.450 175.800 0.023 0.000 1.101 269 F CA -0.144 57.868 58.000 0.021 0.000 1.226 269 F CB 0.576 39.587 39.000 0.019 0.000 1.140 269 F HN 0.378 nan 8.300 nan 0.000 0.557 270 R N 7.404 127.365 120.500 -0.898 0.000 2.422 270 R HA 0.231 4.570 4.340 -0.001 0.000 0.307 270 R C 0.757 176.500 176.300 -0.929 0.000 1.004 270 R CA -0.513 55.228 56.100 -0.599 0.000 0.882 270 R CB 1.424 31.560 30.300 -0.272 0.000 1.164 270 R HN 0.921 nan 8.270 nan 0.000 0.489 271 M N 1.922 121.136 119.600 -0.644 0.000 2.279 271 M HA -0.039 4.441 4.480 -0.001 0.000 0.264 271 M C -0.695 175.144 176.300 -0.768 0.000 1.062 271 M CA 1.814 56.756 55.300 -0.596 0.000 1.099 271 M CB 0.380 32.749 32.600 -0.384 0.000 1.394 271 M HN 0.472 nan 8.290 nan 0.000 0.426 272 Y N -1.015 119.226 120.300 -0.099 0.000 2.553 272 Y HA 0.726 5.275 4.550 -0.001 0.000 0.347 272 Y C -0.569 175.284 175.900 -0.079 0.000 1.019 272 Y CA -1.172 56.889 58.100 -0.065 0.000 1.032 272 Y CB 1.486 39.942 38.460 -0.007 0.000 1.284 272 Y HN -0.039 nan 8.280 nan 0.000 0.466 273 A N 0.774 123.649 122.820 0.091 0.000 2.594 273 A HA 0.679 4.998 4.320 -0.001 0.000 0.296 273 A C 0.074 177.663 177.584 0.010 0.000 1.056 273 A CA -0.236 51.817 52.037 0.027 0.000 0.693 273 A CB 0.645 19.634 19.000 -0.018 0.000 1.278 273 A HN 1.847 nan 8.150 nan 0.000 0.408 274 G N 0.666 109.467 108.800 0.001 0.000 2.581 274 G HA2 0.461 4.421 3.960 -0.001 0.000 0.291 274 G HA3 0.461 4.421 3.960 -0.001 0.000 0.291 274 G C 1.536 176.419 174.900 -0.028 0.000 1.277 274 G CA 1.458 46.548 45.100 -0.016 0.000 0.959 274 G HN 3.256 nan 8.290 nan 0.000 0.554 275 G N -3.862 104.901 108.800 -0.062 0.000 2.662 275 G HA2 0.415 4.375 3.960 -0.001 0.000 0.686 275 G HA3 0.415 4.375 3.960 -0.001 0.000 0.686 275 G C -0.256 174.605 174.900 -0.065 0.000 1.271 275 G CA 0.387 45.434 45.100 -0.089 0.000 0.816 275 G HN 1.951 nan 8.290 nan 0.000 0.608 276 T N 2.010 116.520 114.554 -0.073 0.000 2.794 276 T HA 0.559 4.909 4.350 -0.001 0.000 0.296 276 T C 1.063 175.793 174.700 0.049 0.000 0.949 276 T CA 0.521 62.631 62.100 0.017 0.000 1.101 276 T CB 0.746 69.676 68.868 0.103 0.000 0.905 276 T HN 1.116 nan 8.240 nan 0.000 0.516 277 T N 2.433 116.977 114.554 -0.016 0.000 2.919 277 T HA 0.099 4.449 4.350 -0.001 0.000 0.302 277 T C 1.712 176.302 174.700 -0.182 0.000 1.031 277 T CA -0.908 61.146 62.100 -0.076 0.000 1.127 277 T CB 0.942 69.762 68.868 -0.080 0.000 0.952 277 T HN 0.654 nan 8.240 nan 0.000 0.540 278 Q N 1.227 120.852 119.800 -0.292 0.000 2.050 278 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 278 Q C 1.765 177.471 176.000 -0.490 0.000 0.980 278 Q CA 1.077 56.469 55.803 -0.684 0.000 0.840 278 Q CB -0.398 28.010 28.738 -0.549 0.000 0.898 278 Q HN 0.616 nan 8.270 nan 0.000 0.424 279 E N 1.487 121.544 120.200 -0.237 0.000 2.171 279 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 279 E C 1.716 178.227 176.600 -0.148 0.000 0.997 279 E CA 1.457 57.770 56.400 -0.146 0.000 0.810 279 E CB -0.065 29.582 29.700 -0.089 0.000 0.738 279 E HN 0.570 nan 8.360 nan 0.000 0.467 280 E N -1.226 118.883 120.200 -0.153 0.000 2.072 280 E HA -0.106 4.244 4.350 -0.001 0.000 0.190 280 E C 1.946 178.479 176.600 -0.111 0.000 0.982 280 E CA 0.698 57.036 56.400 -0.103 0.000 0.803 280 E CB -0.025 29.640 29.700 -0.059 0.000 0.755 280 E HN 0.157 nan 8.360 nan 0.000 0.453 281 M N 0.816 120.300 119.600 -0.194 0.000 2.229 281 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 281 M C 1.914 178.114 176.300 -0.166 0.000 1.063 281 M CA 1.381 56.576 55.300 -0.174 0.000 1.114 281 M CB -0.319 32.041 32.600 -0.399 0.000 1.387 281 M HN 0.026 nan 8.290 nan 0.000 0.420 282 K N -0.388 119.877 120.400 -0.225 0.000 2.057 282 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 282 K C 1.490 178.032 176.600 -0.096 0.000 1.049 282 K CA 1.305 57.563 56.287 -0.048 0.000 0.931 282 K CB -0.214 32.276 32.500 -0.017 0.000 0.714 282 K HN 0.300 nan 8.250 nan 0.000 0.440 283 D N 0.167 120.493 120.400 -0.123 0.000 2.340 283 D HA 0.040 4.679 4.640 -0.001 0.000 0.220 283 D C 1.403 177.590 176.300 -0.188 0.000 1.039 283 D CA 0.227 54.148 54.000 -0.132 0.000 0.866 283 D CB 0.338 41.083 40.800 -0.092 0.000 0.913 283 D HN 0.117 nan 8.370 nan 0.000 0.523 284 A N 1.794 124.461 122.820 -0.255 0.000 1.884 284 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 284 A C -0.238 177.062 177.584 -0.474 0.000 1.197 284 A CA 1.382 53.216 52.037 -0.338 0.000 0.637 284 A CB -1.657 17.084 19.000 -0.432 0.000 0.827 284 A HN 0.248 nan 8.150 nan 0.000 0.450 285 P HA -0.151 nan 4.420 nan 0.000 0.217 285 P C 0.751 177.958 177.300 -0.155 0.000 1.148 285 P CA 1.352 64.053 63.100 -0.665 0.000 0.834 285 P CB -0.285 30.956 31.700 -0.765 0.000 0.783 286 N N -0.867 117.757 118.700 -0.127 0.000 2.573 286 N HA -0.022 4.717 4.740 -0.001 0.000 0.187 286 N C 0.893 176.416 175.510 0.021 0.000 1.107 286 N CA 0.384 53.411 53.050 -0.038 0.000 0.918 286 N CB -0.463 37.989 38.487 -0.059 0.000 0.966 286 N HN 0.124 nan 8.380 nan 0.000 0.448 287 A N 0.328 123.190 122.820 0.070 0.000 2.346 287 A HA 0.263 4.582 4.320 -0.001 0.000 0.255 287 A C 1.571 179.142 177.584 -0.021 0.000 1.113 287 A CA -0.303 51.765 52.037 0.051 0.000 0.798 287 A CB 0.267 19.329 19.000 0.103 0.000 1.073 287 A HN 0.110 nan 8.150 nan 0.000 0.502 288 L N -0.551 120.623 121.223 -0.081 0.000 2.023 288 L HA 0.045 4.385 4.340 -0.001 0.000 0.205 288 L C 0.867 177.548 176.870 -0.315 0.000 1.073 288 L CA 1.286 56.050 54.840 -0.128 0.000 0.745 288 L CB -0.354 41.657 42.059 -0.079 0.000 0.900 288 L HN 0.794 nan 8.230 nan 0.000 0.435 289 N N -2.511 115.980 118.700 -0.349 0.000 2.745 289 N HA 0.218 4.957 4.740 -0.001 0.000 0.256 289 N C -1.304 174.109 175.510 -0.161 0.000 1.268 289 N CA -0.381 52.386 53.050 -0.472 0.000 0.887 289 N CB 1.735 40.097 38.487 -0.208 0.000 1.575 289 N HN -0.259 nan 8.380 nan 0.000 0.496 290 T N 0.824 115.412 114.554 0.057 0.000 2.837 290 T HA 0.553 4.902 4.350 -0.001 0.000 0.285 290 T C -0.545 174.256 174.700 0.168 0.000 0.984 290 T CA -0.341 61.932 62.100 0.289 0.000 1.049 290 T CB 0.761 69.954 68.868 0.541 0.000 0.947 290 T HN 0.206 nan 8.240 nan 0.000 0.472 291 V N 4.998 125.010 119.914 0.163 0.000 2.513 291 V HA 0.492 4.612 4.120 -0.001 0.000 0.299 291 V C -0.279 175.886 176.094 0.118 0.000 1.035 291 V CA -0.912 61.465 62.300 0.129 0.000 0.889 291 V CB 1.525 33.443 31.823 0.159 0.000 0.988 291 V HN 0.707 nan 8.190 nan 0.000 0.440 292 L N 5.126 126.390 121.223 0.068 0.000 2.301 292 L HA 0.404 4.743 4.340 -0.001 0.000 0.278 292 L C 1.084 177.948 176.870 -0.010 0.000 1.022 292 L CA -0.403 54.441 54.840 0.006 0.000 0.854 292 L CB 1.327 43.364 42.059 -0.037 0.000 1.226 292 L HN 0.607 nan 8.230 nan 0.000 0.429 293 L N 1.884 123.091 121.223 -0.026 0.000 1.990 293 L HA -0.172 4.167 4.340 -0.001 0.000 0.213 293 L C 0.713 177.547 176.870 -0.061 0.000 1.072 293 L CA 1.675 56.476 54.840 -0.064 0.000 0.755 293 L CB -0.184 41.808 42.059 -0.111 0.000 0.889 293 L HN 0.712 nan 8.230 nan 0.000 0.432 294 Q N 0.456 120.188 119.800 -0.113 0.000 2.508 294 Q HA 0.201 4.541 4.340 -0.001 0.000 0.247 294 Q C -1.891 173.979 176.000 -0.217 0.000 1.047 294 Q CA -1.640 54.113 55.803 -0.083 0.000 0.783 294 Q CB 1.263 29.964 28.738 -0.062 0.000 1.172 294 Q HN 0.126 nan 8.270 nan 0.000 0.515 295 P HA -0.108 nan 4.420 nan 0.000 0.236 295 P C -0.013 177.141 177.300 -0.243 0.000 1.177 295 P CA 0.577 63.560 63.100 -0.195 0.000 0.773 295 P CB 0.189 31.753 31.700 -0.225 0.000 0.878 296 W N 1.069 122.351 121.300 -0.031 0.000 3.077 296 W HA 0.010 4.670 4.660 -0.001 0.000 0.245 296 W C 1.879 178.448 176.519 0.084 0.000 1.316 296 W CA 0.578 57.966 57.345 0.072 0.000 1.537 296 W CB -0.821 28.757 29.460 0.196 0.000 1.131 296 W HN 0.327 nan 8.180 nan 0.000 0.695 297 H N -2.915 116.234 119.070 0.132 0.000 3.297 297 H HA 0.317 4.873 4.556 -0.001 0.000 0.254 297 H C 0.387 175.771 175.328 0.094 0.000 1.192 297 H CA -0.112 55.981 56.048 0.075 0.000 1.058 297 H CB -0.431 29.342 29.762 0.019 0.000 1.777 297 H HN 0.180 nan 8.280 nan 0.000 0.696 298 L N 1.256 122.432 121.223 -0.078 0.000 3.218 298 L HA 0.224 4.563 4.340 -0.001 0.000 0.279 298 L C 1.237 178.096 176.870 -0.018 0.000 1.287 298 L CA -0.091 54.740 54.840 -0.016 0.000 1.024 298 L CB 0.842 42.831 42.059 -0.117 0.000 1.409 298 L HN 0.050 nan 8.230 nan 0.000 0.580 299 E N 0.968 121.156 120.200 -0.020 0.000 2.204 299 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 299 E C 1.792 178.385 176.600 -0.011 0.000 0.989 299 E CA 0.949 57.319 56.400 -0.050 0.000 0.824 299 E CB 0.355 30.024 29.700 -0.051 0.000 0.756 299 E HN 0.408 nan 8.360 nan 0.000 0.477 300 K N 0.278 120.695 120.400 0.029 0.000 2.305 300 K HA -0.006 4.313 4.320 -0.001 0.000 0.199 300 K C 1.836 178.470 176.600 0.056 0.000 1.047 300 K CA 0.776 57.082 56.287 0.032 0.000 0.976 300 K CB 0.264 32.782 32.500 0.030 0.000 0.765 300 K HN -0.079 nan 8.250 nan 0.000 0.474 301 T N 1.022 115.634 114.554 0.097 0.000 2.698 301 T HA -0.107 4.243 4.350 -0.001 0.000 0.260 301 T C 1.620 176.356 174.700 0.060 0.000 1.044 301 T CA 1.167 63.362 62.100 0.157 0.000 1.149 301 T CB -0.075 68.945 68.868 0.255 0.000 0.864 301 T HN 0.250 nan 8.240 nan 0.000 0.419 302 K N 1.158 121.566 120.400 0.012 0.000 2.059 302 K HA -0.230 4.089 4.320 -0.001 0.000 0.212 302 K C 2.352 178.919 176.600 -0.054 0.000 1.050 302 K CA 1.683 57.949 56.287 -0.036 0.000 0.927 302 K CB -0.151 32.314 32.500 -0.058 0.000 0.714 302 K HN 0.181 nan 8.250 nan 0.000 0.447 303 K N -0.420 119.965 120.400 -0.025 0.000 2.074 303 K HA -0.210 4.110 4.320 -0.001 0.000 0.209 303 K C 2.042 178.628 176.600 -0.024 0.000 1.048 303 K CA 1.693 57.969 56.287 -0.020 0.000 0.926 303 K CB -0.228 32.274 32.500 0.004 0.000 0.713 303 K HN 0.138 nan 8.250 nan 0.000 0.444 304 F N 0.974 120.810 119.950 -0.190 0.000 2.094 304 F HA -0.137 4.389 4.527 -0.001 0.000 0.291 304 F C 1.880 177.403 175.800 -0.462 0.000 1.109 304 F CA 1.159 58.986 58.000 -0.288 0.000 1.221 304 F CB -0.584 38.220 39.000 -0.327 0.000 1.014 304 F HN -0.203 nan 8.300 nan 0.000 0.473 305 V N 1.017 120.522 119.914 -0.682 0.000 2.250 305 V HA -0.352 3.767 4.120 -0.001 0.000 0.250 305 V C 2.266 178.102 176.094 -0.430 0.000 1.060 305 V CA 2.469 64.228 62.300 -0.901 0.000 1.030 305 V CB -1.183 30.368 31.823 -0.452 0.000 0.643 305 V HN 0.390 nan 8.190 nan 0.000 0.445 306 E N 0.663 120.734 120.200 -0.215 0.000 2.072 306 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 306 E C 2.355 178.880 176.600 -0.125 0.000 0.985 306 E CA 1.272 57.617 56.400 -0.093 0.000 0.801 306 E CB -0.478 29.188 29.700 -0.056 0.000 0.750 306 E HN 0.669 nan 8.360 nan 0.000 0.452 307 G N 0.599 109.284 108.800 -0.192 0.000 2.404 307 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.214 307 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.214 307 G C 1.637 176.412 174.900 -0.209 0.000 1.189 307 G CA 1.113 46.116 45.100 -0.162 0.000 0.789 307 G HN 0.151 nan 8.290 nan 0.000 0.533 308 T N -0.378 113.906 114.554 -0.449 0.000 2.939 308 T HA -0.003 4.346 4.350 -0.001 0.000 0.254 308 T C 1.912 176.541 174.700 -0.119 0.000 1.041 308 T CA 0.601 62.481 62.100 -0.367 0.000 1.142 308 T CB -0.099 68.335 68.868 -0.723 0.000 0.874 308 T HN 0.389 nan 8.240 nan 0.000 0.452 309 W N 1.588 122.565 121.300 -0.539 0.000 2.770 309 W HA 0.344 5.003 4.660 -0.001 0.000 0.256 309 W C 0.651 177.001 176.519 -0.281 0.000 1.291 309 W CA -0.408 56.664 57.345 -0.454 0.000 1.396 309 W CB -0.340 28.693 29.460 -0.712 0.000 1.114 309 W HN 0.091 nan 8.180 nan 0.000 0.637 310 K N -0.303 120.109 120.400 0.021 0.000 3.192 310 K HA -0.245 4.075 4.320 -0.001 0.000 0.278 310 K C -0.458 176.260 176.600 0.197 0.000 1.164 310 K CA 0.728 57.054 56.287 0.066 0.000 0.816 310 K CB -2.547 29.991 32.500 0.063 0.000 1.256 310 K HN 0.441 nan 8.250 nan 0.000 0.497 311 H N 0.637 119.759 119.070 0.087 0.000 2.580 311 H HA 0.138 4.694 4.556 -0.001 0.000 0.322 311 H C 0.577 175.927 175.328 0.035 0.000 1.082 311 H CA -0.378 55.724 56.048 0.091 0.000 1.383 311 H CB 0.845 30.708 29.762 0.169 0.000 1.450 311 H HN 0.096 nan 8.280 nan 0.000 0.505 312 E N 3.693 123.958 120.200 0.110 0.000 2.346 312 E HA 0.053 4.402 4.350 -0.001 0.000 0.317 312 E C -0.457 176.158 176.600 0.025 0.000 1.404 312 E CA -0.446 55.979 56.400 0.042 0.000 1.534 312 E CB -0.140 29.567 29.700 0.012 0.000 1.309 312 E HN 0.352 nan 8.360 nan 0.000 0.499 313 V N 3.745 123.689 119.914 0.049 0.000 2.644 313 V HA -0.098 4.021 4.120 -0.001 0.000 0.303 313 V C -1.798 174.294 176.094 -0.003 0.000 1.058 313 V CA -0.528 61.791 62.300 0.032 0.000 1.228 313 V CB -0.210 31.630 31.823 0.028 0.000 0.861 313 V HN 0.517 nan 8.190 nan 0.000 0.484 314 P HA 0.072 nan 4.420 nan 0.000 0.266 314 P C -0.115 177.164 177.300 -0.036 0.000 1.195 314 P CA -0.093 62.992 63.100 -0.024 0.000 0.768 314 P CB 0.360 32.047 31.700 -0.023 0.000 0.838 315 K N 3.886 124.258 120.400 -0.046 0.000 2.222 315 K HA 0.224 4.543 4.320 -0.001 0.000 0.243 315 K C -1.033 175.522 176.600 -0.074 0.000 1.160 315 K CA -0.280 55.968 56.287 -0.064 0.000 1.090 315 K CB -0.520 31.945 32.500 -0.059 0.000 1.694 315 K HN 0.292 nan 8.250 nan 0.000 0.361 316 L N 2.235 123.417 121.223 -0.068 0.000 2.330 316 L HA 0.378 4.717 4.340 -0.001 0.000 0.271 316 L C 0.103 176.900 176.870 -0.121 0.000 1.013 316 L CA -0.675 54.119 54.840 -0.078 0.000 0.816 316 L CB 1.615 43.683 42.059 0.016 0.000 1.287 316 L HN 0.427 nan 8.230 nan 0.000 0.435 317 N N 1.009 119.549 118.700 -0.267 0.000 2.458 317 N HA 0.375 5.114 4.740 -0.001 0.000 0.271 317 N C -0.382 175.051 175.510 -0.128 0.000 1.210 317 N CA -0.607 52.211 53.050 -0.387 0.000 0.978 317 N CB 1.336 39.022 38.487 -1.334 0.000 1.206 317 N HN 0.549 nan 8.380 nan 0.000 0.536 318 I N 1.917 122.499 120.570 0.021 0.000 2.668 318 I HA 0.041 4.210 4.170 -0.001 0.000 0.285 318 I C -1.824 174.360 176.117 0.112 0.000 1.168 318 I CA -1.263 60.085 61.300 0.080 0.000 1.424 318 I CB 0.688 38.781 38.000 0.155 0.000 1.377 318 I HN 0.251 nan 8.210 nan 0.000 0.560 319 P HA 0.100 nan 4.420 nan 0.000 0.252 319 P C -0.876 176.321 177.300 -0.171 0.000 1.635 319 P CA 0.722 63.723 63.100 -0.166 0.000 1.206 319 P CB -0.140 31.216 31.700 -0.573 0.000 1.911 320 M N 1.408 120.992 119.600 -0.026 0.000 2.530 320 M HA 0.575 5.054 4.480 -0.001 0.000 0.307 320 M C 0.679 176.786 176.300 -0.321 0.000 1.161 320 M CA -0.146 55.022 55.300 -0.219 0.000 0.903 320 M CB 2.614 35.107 32.600 -0.178 0.000 1.711 320 M HN 0.406 nan 8.290 nan 0.000 0.451 321 G N 1.089 109.528 108.800 -0.601 0.000 2.741 321 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.222 321 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.222 321 G C -0.319 174.350 174.900 -0.385 0.000 1.364 321 G CA -0.030 44.669 45.100 -0.669 0.000 0.866 321 G HN 0.726 nan 8.290 nan 0.000 0.555 322 L N -0.380 120.761 121.223 -0.137 0.000 2.071 322 L HA 0.219 4.559 4.340 -0.001 0.000 0.201 322 L C 2.439 179.309 176.870 -0.000 0.000 1.076 322 L CA 2.702 57.528 54.840 -0.023 0.000 0.755 322 L CB -0.963 41.162 42.059 0.109 0.000 0.915 322 L HN 0.674 nan 8.230 nan 0.000 0.445 323 D N -0.635 119.778 120.400 0.022 0.000 2.088 323 D HA -0.250 4.389 4.640 -0.001 0.000 0.191 323 D C 1.992 178.435 176.300 0.238 0.000 0.992 323 D CA 1.846 55.917 54.000 0.119 0.000 0.831 323 D CB -0.449 40.430 40.800 0.131 0.000 0.973 323 D HN 0.433 nan 8.370 nan 0.000 0.447 324 W N 1.453 122.732 121.300 -0.034 0.000 2.331 324 W HA -0.131 4.529 4.660 -0.001 0.000 0.291 324 W C 2.529 179.014 176.519 -0.058 0.000 1.214 324 W CA 0.897 58.221 57.345 -0.034 0.000 1.228 324 W CB -1.569 27.864 29.460 -0.045 0.000 1.135 324 W HN 0.010 nan 8.180 nan 0.000 0.537 325 T N 0.144 114.719 114.554 0.035 0.000 2.770 325 T HA -0.171 4.178 4.350 -0.001 0.000 0.263 325 T C 1.063 175.748 174.700 -0.025 0.000 1.039 325 T CA 1.888 63.895 62.100 -0.154 0.000 1.142 325 T CB -0.527 67.927 68.868 -0.690 0.000 0.868 325 T HN 0.071 nan 8.240 nan 0.000 0.435 326 D N 1.220 121.638 120.400 0.030 0.000 2.149 326 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 326 D C 2.023 178.389 176.300 0.111 0.000 0.990 326 D CA 1.007 55.092 54.000 0.142 0.000 0.839 326 D CB -0.216 40.685 40.800 0.169 0.000 0.948 326 D HN 0.478 nan 8.370 nan 0.000 0.460 327 E N -0.488 119.783 120.200 0.118 0.000 2.077 327 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 327 E C 1.710 178.354 176.600 0.074 0.000 0.989 327 E CA 0.666 57.118 56.400 0.088 0.000 0.800 327 E CB -0.190 29.567 29.700 0.095 0.000 0.746 327 E HN 0.316 nan 8.360 nan 0.000 0.452 328 F N 1.082 121.019 119.950 -0.023 0.000 2.069 328 F HA -0.191 4.336 4.527 -0.001 0.000 0.298 328 F C 1.780 177.565 175.800 -0.025 0.000 1.113 328 F CA 1.586 59.562 58.000 -0.039 0.000 1.214 328 F CB -0.303 38.659 39.000 -0.063 0.000 0.978 328 F HN 0.013 nan 8.300 nan 0.000 0.474 329 L N -0.381 120.805 121.223 -0.061 0.000 2.017 329 L HA -0.263 4.076 4.340 -0.001 0.000 0.208 329 L C 2.654 179.448 176.870 -0.126 0.000 1.073 329 L CA 1.555 56.319 54.840 -0.127 0.000 0.745 329 L CB -0.778 41.338 42.059 0.095 0.000 0.894 329 L HN 0.278 nan 8.230 nan 0.000 0.432 330 M N -0.061 119.510 119.600 -0.047 0.000 2.073 330 M HA -0.279 4.201 4.480 -0.001 0.000 0.258 330 M C 2.417 178.666 176.300 -0.086 0.000 1.070 330 M CA 1.947 57.224 55.300 -0.038 0.000 1.103 330 M CB -0.450 32.149 32.600 -0.001 0.000 1.321 330 M HN 0.084 nan 8.290 nan 0.000 0.405 331 K N 0.357 120.686 120.400 -0.119 0.000 2.103 331 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 331 K C 1.513 178.003 176.600 -0.182 0.000 1.048 331 K CA 1.294 57.500 56.287 -0.134 0.000 0.930 331 K CB -0.275 32.147 32.500 -0.131 0.000 0.716 331 K HN 0.150 nan 8.250 nan 0.000 0.444 332 V N 0.395 120.128 119.914 -0.301 0.000 2.407 332 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 332 V C 2.362 178.365 176.094 -0.151 0.000 1.055 332 V CA 2.022 64.151 62.300 -0.284 0.000 1.049 332 V CB -0.615 30.953 31.823 -0.425 0.000 0.662 332 V HN 0.507 nan 8.190 nan 0.000 0.455 333 S N -0.490 115.136 115.700 -0.123 0.000 2.382 333 S HA -0.226 4.243 4.470 -0.001 0.000 0.228 333 S C 1.962 176.529 174.600 -0.056 0.000 1.027 333 S CA 1.715 59.875 58.200 -0.067 0.000 0.991 333 S CB -0.266 62.907 63.200 -0.045 0.000 0.823 333 S HN 0.709 nan 8.310 nan 0.000 0.469 334 E N 0.046 120.209 120.200 -0.063 0.000 2.153 334 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 334 E C 1.798 178.368 176.600 -0.049 0.000 0.988 334 E CA 1.194 57.565 56.400 -0.049 0.000 0.811 334 E CB -0.043 29.628 29.700 -0.048 0.000 0.746 334 E HN 0.531 nan 8.360 nan 0.000 0.466 335 I N -0.221 120.311 120.570 -0.063 0.000 2.512 335 I HA -0.106 4.064 4.170 -0.001 0.000 0.247 335 I C 2.532 178.622 176.117 -0.044 0.000 1.094 335 I CA 0.733 61.998 61.300 -0.058 0.000 1.427 335 I CB -1.452 36.504 38.000 -0.073 0.000 1.149 335 I HN -0.005 nan 8.210 nan 0.000 0.438 336 S N 0.443 116.118 115.700 -0.043 0.000 2.423 336 S HA -0.011 4.459 4.470 -0.001 0.000 0.231 336 S C 1.799 176.388 174.600 -0.018 0.000 1.014 336 S CA 1.724 59.911 58.200 -0.022 0.000 0.965 336 S CB -0.229 62.965 63.200 -0.010 0.000 0.785 336 S HN 0.703 nan 8.310 nan 0.000 0.495 337 G N -0.054 108.733 108.800 -0.022 0.000 2.279 337 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.223 337 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.223 337 G C -0.087 174.806 174.900 -0.012 0.000 1.015 337 G CA 0.128 45.218 45.100 -0.017 0.000 0.621 337 G HN 0.549 nan 8.290 nan 0.000 0.506 338 Q N 1.475 121.270 119.800 -0.009 0.000 2.373 338 Q HA 0.430 4.770 4.340 -0.001 0.000 0.255 338 Q C -2.198 173.798 176.000 -0.006 0.000 0.980 338 Q CA -1.232 54.569 55.803 -0.003 0.000 0.882 338 Q CB 0.727 29.468 28.738 0.006 0.000 1.249 338 Q HN 0.272 nan 8.270 nan 0.000 0.438 339 P HA 0.163 nan 4.420 nan 0.000 0.273 339 P C -0.177 177.125 177.300 0.003 0.000 1.250 339 P CA -0.197 62.902 63.100 -0.001 0.000 0.793 339 P CB 0.557 32.258 31.700 0.001 0.000 1.011 340 I N 3.356 123.929 120.570 0.007 0.000 2.363 340 I HA 0.111 4.281 4.170 -0.001 0.000 0.292 340 I C -1.728 174.397 176.117 0.014 0.000 1.075 340 I CA -1.915 59.396 61.300 0.018 0.000 1.333 340 I CB 0.465 38.482 38.000 0.029 0.000 1.415 340 I HN 0.190 nan 8.210 nan 0.000 0.502 341 P HA -0.054 nan 4.420 nan 0.000 0.266 341 P C 0.492 177.792 177.300 -0.001 0.000 1.193 341 P CA -0.014 63.092 63.100 0.009 0.000 0.770 341 P CB 0.758 32.467 31.700 0.016 0.000 0.836 342 A N 2.569 125.385 122.820 -0.007 0.000 2.024 342 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 342 A C 2.182 179.750 177.584 -0.027 0.000 1.164 342 A CA 1.913 53.939 52.037 -0.017 0.000 0.643 342 A CB -1.337 17.654 19.000 -0.014 0.000 0.806 342 A HN 0.570 nan 8.150 nan 0.000 0.451 343 S N 0.197 115.885 115.700 -0.019 0.000 2.354 343 S HA -0.176 4.293 4.470 -0.001 0.000 0.219 343 S C 1.832 176.406 174.600 -0.043 0.000 1.035 343 S CA 1.587 59.773 58.200 -0.023 0.000 1.037 343 S CB -0.611 62.586 63.200 -0.006 0.000 0.956 343 S HN 0.531 nan 8.310 nan 0.000 0.428 344 L N 1.122 122.329 121.223 -0.027 0.000 2.079 344 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 344 L C 2.704 179.480 176.870 -0.158 0.000 1.081 344 L CA 1.336 56.150 54.840 -0.044 0.000 0.752 344 L CB -1.128 40.962 42.059 0.053 0.000 0.896 344 L HN 0.383 nan 8.230 nan 0.000 0.433 345 T N -0.885 113.607 114.554 -0.104 0.000 2.746 345 T HA -0.251 4.099 4.350 -0.001 0.000 0.267 345 T C 1.825 176.423 174.700 -0.169 0.000 1.039 345 T CA 1.543 63.566 62.100 -0.129 0.000 1.142 345 T CB -0.086 68.745 68.868 -0.062 0.000 0.866 345 T HN 0.247 nan 8.240 nan 0.000 0.444 346 K N 1.206 121.529 120.400 -0.128 0.000 1.978 346 K HA -0.179 4.141 4.320 -0.001 0.000 0.214 346 K C 2.325 178.821 176.600 -0.174 0.000 1.049 346 K CA 1.784 58.001 56.287 -0.116 0.000 0.939 346 K CB -0.208 32.246 32.500 -0.078 0.000 0.721 346 K HN 0.326 nan 8.250 nan 0.000 0.441 347 E N 0.369 120.448 120.200 -0.202 0.000 2.113 347 E HA -0.348 4.001 4.350 -0.001 0.000 0.210 347 E C 2.183 178.533 176.600 -0.417 0.000 1.040 347 E CA 1.972 58.221 56.400 -0.252 0.000 0.847 347 E CB -0.146 29.412 29.700 -0.237 0.000 0.755 347 E HN 0.286 nan 8.360 nan 0.000 0.459 348 R N -0.376 119.673 120.500 -0.751 0.000 2.122 348 R HA -0.184 4.156 4.340 -0.001 0.000 0.236 348 R C 2.443 178.577 176.300 -0.277 0.000 1.129 348 R CA 2.057 57.671 56.100 -0.810 0.000 0.925 348 R CB -0.904 28.989 30.300 -0.679 0.000 0.850 348 R HN 0.300 nan 8.270 nan 0.000 0.431 349 G N 0.774 109.457 108.800 -0.195 0.000 2.475 349 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 349 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 349 G C 1.427 176.282 174.900 -0.074 0.000 1.125 349 G CA 0.738 45.779 45.100 -0.098 0.000 0.755 349 G HN 0.364 nan 8.290 nan 0.000 0.565 350 R N -0.632 119.812 120.500 -0.094 0.000 2.148 350 R HA 0.050 4.390 4.340 -0.001 0.000 0.227 350 R C 2.381 178.662 176.300 -0.032 0.000 1.103 350 R CA 0.813 56.878 56.100 -0.057 0.000 0.983 350 R CB -0.487 29.776 30.300 -0.062 0.000 0.874 350 R HN 0.426 nan 8.270 nan 0.000 0.451 351 L N 0.693 121.894 121.223 -0.036 0.000 2.095 351 L HA -0.056 4.283 4.340 -0.001 0.000 0.204 351 L C 2.044 178.940 176.870 0.043 0.000 1.080 351 L CA 1.373 56.227 54.840 0.024 0.000 0.759 351 L CB -0.219 41.885 42.059 0.074 0.000 0.914 351 L HN -0.180 nan 8.230 nan 0.000 0.439 352 V N 0.181 120.110 119.914 0.024 0.000 2.720 352 V HA -0.248 3.872 4.120 -0.001 0.000 0.256 352 V C 2.356 178.458 176.094 0.014 0.000 1.082 352 V CA 1.799 64.114 62.300 0.026 0.000 1.101 352 V CB -0.864 30.965 31.823 0.009 0.000 0.693 352 V HN 0.584 nan 8.190 nan 0.000 0.479 353 D N 0.149 120.552 120.400 0.006 0.000 2.097 353 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 353 D C 2.146 178.462 176.300 0.027 0.000 0.984 353 D CA 1.405 55.410 54.000 0.008 0.000 0.826 353 D CB 0.056 40.856 40.800 -0.001 0.000 0.973 353 D HN 0.395 nan 8.370 nan 0.000 0.460 354 M N -0.204 119.416 119.600 0.033 0.000 2.279 354 M HA -0.129 4.350 4.480 -0.001 0.000 0.264 354 M C 2.402 178.742 176.300 0.067 0.000 1.062 354 M CA 1.056 56.385 55.300 0.048 0.000 1.099 354 M CB -0.089 32.539 32.600 0.046 0.000 1.394 354 M HN 0.073 nan 8.290 nan 0.000 0.426 355 M N -0.447 119.191 119.600 0.063 0.000 2.081 355 M HA -0.121 4.359 4.480 -0.001 0.000 0.261 355 M C 2.506 178.856 176.300 0.083 0.000 1.075 355 M CA 2.116 57.454 55.300 0.063 0.000 1.133 355 M CB -1.071 31.554 32.600 0.041 0.000 1.330 355 M HN 0.405 nan 8.290 nan 0.000 0.414 356 T N -1.426 113.150 114.554 0.037 0.000 2.720 356 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 356 T C 1.338 176.138 174.700 0.168 0.000 1.037 356 T CA 1.809 63.914 62.100 0.008 0.000 1.144 356 T CB -0.695 68.149 68.868 -0.039 0.000 0.864 356 T HN 0.215 nan 8.240 nan 0.000 0.444 357 D N 1.211 121.683 120.400 0.119 0.000 2.178 357 D HA 0.024 4.663 4.640 -0.001 0.000 0.202 357 D C 2.130 178.520 176.300 0.151 0.000 0.974 357 D CA 1.102 55.177 54.000 0.125 0.000 0.841 357 D CB -0.278 40.568 40.800 0.078 0.000 0.953 357 D HN 0.445 nan 8.370 nan 0.000 0.478 358 S N -0.604 115.187 115.700 0.152 0.000 2.524 358 S HA -0.050 4.420 4.470 -0.001 0.000 0.215 358 S C 1.614 176.294 174.600 0.134 0.000 0.986 358 S CA -0.375 57.919 58.200 0.156 0.000 0.911 358 S CB 0.020 63.294 63.200 0.124 0.000 0.805 358 S HN 0.451 nan 8.310 nan 0.000 0.501 359 H N 1.681 120.774 119.070 0.038 0.000 2.394 359 H HA -0.120 4.436 4.556 -0.001 0.000 0.297 359 H C 1.492 176.842 175.328 0.037 0.000 1.113 359 H CA 1.960 58.024 56.048 0.026 0.000 1.277 359 H CB -0.953 28.815 29.762 0.010 0.000 1.370 359 H HN 0.186 nan 8.280 nan 0.000 0.506 360 T N 0.679 114.791 114.554 -0.737 0.000 2.652 360 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 360 T C 1.727 176.210 174.700 -0.361 0.000 1.039 360 T CA 1.910 63.601 62.100 -0.682 0.000 1.153 360 T CB -0.533 67.847 68.868 -0.813 0.000 0.863 360 T HN 0.543 nan 8.240 nan 0.000 0.428 361 W N 0.828 122.074 121.300 -0.089 0.000 2.388 361 W HA 0.111 4.771 4.660 -0.000 0.000 0.294 361 W C 2.036 178.576 176.519 0.034 0.000 1.212 361 W CA 0.082 57.415 57.345 -0.020 0.000 1.271 361 W CB -0.426 29.019 29.460 -0.025 0.000 1.126 361 W HN 0.201 nan 8.180 nan 0.000 0.535 362 L N -1.035 120.327 121.223 0.232 0.000 2.179 362 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 362 L C 1.561 178.532 176.870 0.169 0.000 1.096 362 L CA 0.541 55.487 54.840 0.178 0.000 0.779 362 L CB -1.110 40.990 42.059 0.069 0.000 0.922 362 L HN -0.029 nan 8.230 nan 0.000 0.443 363 H N 1.163 120.267 119.070 0.057 0.000 3.125 363 H HA 0.002 4.557 4.556 -0.001 0.000 0.310 363 H C 1.175 176.579 175.328 0.126 0.000 0.980 363 H CA 1.024 57.121 56.048 0.081 0.000 1.422 363 H CB 0.576 30.374 29.762 0.059 0.000 1.432 363 H HN 0.360 nan 8.280 nan 0.000 0.577 364 G N 5.037 113.801 108.800 -0.060 0.000 2.184 364 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.264 364 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.264 364 G C 0.278 175.269 174.900 0.152 0.000 0.975 364 G CA 0.263 45.428 45.100 0.109 0.000 0.642 364 G HN 0.585 nan 8.290 nan 0.000 0.536 365 K N 1.133 121.657 120.400 0.207 0.000 2.402 365 K HA 0.243 4.562 4.320 -0.001 0.000 0.285 365 K C 0.805 177.519 176.600 0.191 0.000 1.054 365 K CA -0.043 56.351 56.287 0.179 0.000 1.001 365 K CB 0.548 33.203 32.500 0.259 0.000 0.946 365 K HN 0.399 nan 8.250 nan 0.000 0.473 366 R N 2.637 123.144 120.500 0.011 0.000 2.298 366 R HA 0.257 4.597 4.340 -0.001 0.000 0.310 366 R C -0.399 175.866 176.300 -0.058 0.000 1.068 366 R CA -0.040 56.091 56.100 0.052 0.000 0.957 366 R CB 0.323 30.614 30.300 -0.016 0.000 1.003 366 R HN 0.300 nan 8.270 nan 0.000 0.454 367 F N 0.720 120.698 119.950 0.048 0.000 2.598 367 F HA 0.693 5.219 4.527 -0.001 0.000 0.327 367 F C 0.224 176.061 175.800 0.061 0.000 1.057 367 F CA -1.049 57.002 58.000 0.085 0.000 0.957 367 F CB 1.775 40.829 39.000 0.089 0.000 1.278 367 F HN 0.429 nan 8.300 nan 0.000 0.484 368 A N 2.318 125.342 122.820 0.341 0.000 2.386 368 A HA 0.969 5.289 4.320 -0.001 0.000 0.311 368 A C -1.299 176.488 177.584 0.337 0.000 1.068 368 A CA -0.628 51.596 52.037 0.312 0.000 0.743 368 A CB 1.475 20.663 19.000 0.312 0.000 1.258 368 A HN 0.920 nan 8.150 nan 0.000 0.429 369 L N -1.349 120.072 121.223 0.331 0.000 2.671 369 L HA 1.027 5.366 4.340 -0.001 0.000 0.259 369 L C -1.203 175.873 176.870 0.343 0.000 1.021 369 L CA -0.951 54.033 54.840 0.241 0.000 0.871 369 L CB 1.610 43.728 42.059 0.099 0.000 1.472 369 L HN 1.258 nan 8.230 nan 0.000 0.410 370 W N 0.363 121.632 121.300 -0.051 0.000 2.989 370 W HA 0.903 5.562 4.660 -0.001 0.000 0.344 370 W C -0.570 175.807 176.519 -0.236 0.000 1.233 370 W CA 0.078 57.380 57.345 -0.073 0.000 1.187 370 W CB 0.429 29.876 29.460 -0.022 0.000 1.443 370 W HN 1.115 nan 8.180 nan 0.000 0.573 371 G N 0.413 109.234 108.800 0.035 0.000 2.441 371 G HA2 0.224 4.184 3.960 -0.001 0.000 0.222 371 G HA3 0.224 4.184 3.960 -0.001 0.000 0.222 371 G C -1.555 173.353 174.900 0.013 0.000 1.254 371 G CA -0.518 44.491 45.100 -0.152 0.000 0.959 371 G HN 0.623 nan 8.290 nan 0.000 0.474 372 D N 0.881 121.302 120.400 0.035 0.000 2.358 372 D HA 0.440 5.079 4.640 -0.001 0.000 0.244 372 D C -1.225 175.061 176.300 -0.022 0.000 1.163 372 D CA -1.376 52.643 54.000 0.031 0.000 0.945 372 D CB 1.388 42.238 40.800 0.084 0.000 1.152 372 D HN -0.042 nan 8.370 nan 0.000 0.451 373 P HA -0.109 nan 4.420 nan 0.000 0.215 373 P C 0.689 178.100 177.300 0.184 0.000 1.153 373 P CA 1.166 63.997 63.100 -0.448 0.000 0.853 373 P CB 0.385 31.675 31.700 -0.683 0.000 0.788 374 D N -1.823 118.740 120.400 0.272 0.000 2.103 374 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 374 D C 1.747 178.276 176.300 0.382 0.000 0.978 374 D CA 0.809 55.020 54.000 0.352 0.000 0.829 374 D CB -0.641 40.370 40.800 0.351 0.000 0.981 374 D HN 0.015 nan 8.370 nan 0.000 0.464 375 F N 2.450 122.500 119.950 0.167 0.000 2.025 375 F HA -0.248 4.279 4.527 -0.001 0.000 0.297 375 F C 2.312 178.196 175.800 0.140 0.000 1.132 375 F CA 1.000 59.075 58.000 0.126 0.000 1.191 375 F CB -0.899 38.162 39.000 0.102 0.000 0.963 375 F HN -0.237 nan 8.300 nan 0.000 0.481 376 V N 1.121 121.328 119.914 0.489 0.000 2.324 376 V HA -0.385 3.734 4.120 -0.001 0.000 0.250 376 V C 2.673 178.984 176.094 0.362 0.000 1.060 376 V CA 2.291 64.800 62.300 0.348 0.000 1.042 376 V CB -0.760 31.257 31.823 0.323 0.000 0.650 376 V HN 0.549 nan 8.190 nan 0.000 0.450 377 M N -0.035 119.825 119.600 0.434 0.000 2.159 377 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 377 M C 1.934 178.398 176.300 0.273 0.000 1.063 377 M CA 2.171 57.641 55.300 0.283 0.000 1.110 377 M CB -0.489 32.261 32.600 0.249 0.000 1.374 377 M HN 0.428 nan 8.290 nan 0.000 0.411 378 G N 0.787 109.779 108.800 0.320 0.000 2.496 378 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.214 378 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.214 378 G C 1.220 176.121 174.900 0.001 0.000 1.234 378 G CA 0.703 45.901 45.100 0.164 0.000 0.807 378 G HN 0.420 nan 8.290 nan 0.000 0.543 379 L N 0.881 122.194 121.223 0.150 0.000 1.991 379 L HA -0.180 4.160 4.340 -0.001 0.000 0.221 379 L C 3.021 179.910 176.870 0.031 0.000 1.079 379 L CA 1.901 56.831 54.840 0.150 0.000 0.778 379 L CB -0.893 41.383 42.059 0.362 0.000 0.893 379 L HN 0.109 nan 8.230 nan 0.000 0.437 380 V N 0.048 119.983 119.914 0.035 0.000 2.233 380 V HA -0.411 3.709 4.120 -0.001 0.000 0.252 380 V C 2.737 178.749 176.094 -0.137 0.000 1.063 380 V CA 2.341 64.618 62.300 -0.037 0.000 1.032 380 V CB -0.915 30.912 31.823 0.006 0.000 0.645 380 V HN 0.549 nan 8.190 nan 0.000 0.446 381 K N -0.209 120.054 120.400 -0.228 0.000 2.001 381 K HA -0.274 4.046 4.320 -0.001 0.000 0.223 381 K C 2.086 178.504 176.600 -0.303 0.000 1.055 381 K CA 2.469 58.507 56.287 -0.414 0.000 0.965 381 K CB -1.047 30.830 32.500 -1.038 0.000 0.730 381 K HN 0.411 nan 8.250 nan 0.000 0.449 382 F N 1.563 121.254 119.950 -0.433 0.000 2.236 382 F HA -0.163 4.364 4.527 -0.001 0.000 0.302 382 F C 2.101 177.730 175.800 -0.285 0.000 1.073 382 F CA 1.103 58.900 58.000 -0.338 0.000 1.336 382 F CB -0.328 38.495 39.000 -0.295 0.000 1.040 382 F HN 0.065 nan 8.300 nan 0.000 0.507 383 L N -0.902 120.095 121.223 -0.376 0.000 2.093 383 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 383 L C 2.255 178.876 176.870 -0.415 0.000 1.085 383 L CA 0.397 54.947 54.840 -0.482 0.000 0.755 383 L CB -0.533 41.300 42.059 -0.377 0.000 0.904 383 L HN 0.123 nan 8.230 nan 0.000 0.435 384 L N -0.492 120.543 121.223 -0.313 0.000 2.093 384 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 384 L C 2.432 179.057 176.870 -0.408 0.000 1.085 384 L CA 1.566 56.230 54.840 -0.294 0.000 0.755 384 L CB -1.225 40.734 42.059 -0.166 0.000 0.904 384 L HN 0.312 nan 8.230 nan 0.000 0.435 385 E N -0.088 119.903 120.200 -0.350 0.000 2.058 385 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 385 E C 2.199 178.574 176.600 -0.375 0.000 0.997 385 E CA 0.975 57.198 56.400 -0.295 0.000 0.801 385 E CB -0.151 29.456 29.700 -0.154 0.000 0.746 385 E HN 0.421 nan 8.360 nan 0.000 0.450 386 L N -0.552 120.362 121.223 -0.515 0.000 2.478 386 L HA 0.080 4.419 4.340 -0.001 0.000 0.223 386 L C 1.216 177.839 176.870 -0.412 0.000 1.140 386 L CA 0.450 55.023 54.840 -0.445 0.000 0.842 386 L CB -0.243 41.472 42.059 -0.573 0.000 0.953 386 L HN 0.287 nan 8.230 nan 0.000 0.452 387 G N 0.011 108.450 108.800 -0.603 0.000 2.255 387 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.239 387 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.239 387 G C -0.127 174.521 174.900 -0.421 0.000 1.083 387 G CA -0.203 44.360 45.100 -0.895 0.000 0.826 387 G HN 0.300 nan 8.290 nan 0.000 0.493 388 C N -0.117 119.039 119.300 -0.240 0.000 2.454 388 C HA 0.689 5.148 4.460 -0.001 0.000 0.336 388 C C 0.478 175.527 174.990 0.098 0.000 1.189 388 C CA -1.042 57.988 59.018 0.020 0.000 1.877 388 C CB 1.674 29.428 27.740 0.024 0.000 2.348 388 C HN 0.571 nan 8.230 nan 0.000 0.508 389 E N 1.848 122.159 120.200 0.185 0.000 2.105 389 E HA 0.185 4.534 4.350 -0.001 0.000 0.285 389 E C -2.306 174.384 176.600 0.150 0.000 1.055 389 E CA -1.225 55.261 56.400 0.142 0.000 0.843 389 E CB 0.713 30.471 29.700 0.096 0.000 1.067 389 E HN 0.389 nan 8.360 nan 0.000 0.398 390 P HA -0.016 nan 4.420 nan 0.000 0.218 390 P C 0.735 178.082 177.300 0.079 0.000 1.793 390 P CA 0.069 63.225 63.100 0.094 0.000 0.941 390 P CB 0.097 31.822 31.700 0.042 0.000 1.919 391 V N -0.177 119.748 119.914 0.019 0.000 2.238 391 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 391 V C 1.037 177.096 176.094 -0.057 0.000 1.050 391 V CA 1.750 63.965 62.300 -0.140 0.000 1.045 391 V CB -1.278 30.279 31.823 -0.443 0.000 0.670 391 V HN 0.482 nan 8.190 nan 0.000 0.469 392 H N -0.163 119.029 119.070 0.203 0.000 2.581 392 H HA 0.591 5.146 4.556 -0.001 0.000 0.308 392 H C -0.430 175.064 175.328 0.276 0.000 1.040 392 H CA -0.836 55.367 56.048 0.257 0.000 1.231 392 H CB 0.715 30.557 29.762 0.133 0.000 1.396 392 H HN 0.320 nan 8.280 nan 0.000 0.467 393 I N 4.902 125.752 120.570 0.467 0.000 2.359 393 I HA 0.186 4.355 4.170 -0.001 0.000 0.284 393 I C -0.202 176.203 176.117 0.478 0.000 1.018 393 I CA -0.280 61.254 61.300 0.391 0.000 1.173 393 I CB 1.439 39.614 38.000 0.291 0.000 1.326 393 I HN 0.253 nan 8.210 nan 0.000 0.462 394 L N 6.864 128.325 121.223 0.397 0.000 2.334 394 L HA 0.685 5.024 4.340 -0.001 0.000 0.276 394 L C -1.099 175.950 176.870 0.298 0.000 1.014 394 L CA -0.287 54.755 54.840 0.336 0.000 0.815 394 L CB 1.900 44.049 42.059 0.150 0.000 1.268 394 L HN 0.746 nan 8.230 nan 0.000 0.428 395 C N 3.349 122.774 119.300 0.209 0.000 2.919 395 C HA 0.305 4.765 4.460 -0.001 0.000 0.337 395 C C 0.932 175.928 174.990 0.011 0.000 1.039 395 C CA -0.591 58.448 59.018 0.035 0.000 1.373 395 C CB 0.018 27.578 27.740 -0.299 0.000 1.843 395 C HN 1.064 nan 8.230 nan 0.000 0.493 396 H N 3.430 122.471 119.070 -0.048 0.000 2.456 396 H HA -0.022 4.534 4.556 -0.001 0.000 0.296 396 H C 1.604 176.885 175.328 -0.078 0.000 1.079 396 H CA 2.412 58.420 56.048 -0.066 0.000 1.322 396 H CB 0.329 30.062 29.762 -0.047 0.000 1.388 396 H HN 0.869 nan 8.280 nan 0.000 0.538 397 N N -0.957 117.664 118.700 -0.130 0.000 2.234 397 N HA 0.134 4.874 4.740 -0.001 0.000 0.227 397 N C 0.732 176.095 175.510 -0.245 0.000 1.151 397 N CA 0.063 52.995 53.050 -0.197 0.000 0.865 397 N CB 1.032 39.442 38.487 -0.128 0.000 1.066 397 N HN 0.125 nan 8.380 nan 0.000 0.515 398 G N 0.964 109.574 108.800 -0.316 0.000 2.562 398 G HA2 0.325 4.285 3.960 -0.001 0.000 0.275 398 G HA3 0.325 4.285 3.960 -0.001 0.000 0.275 398 G C -0.329 174.509 174.900 -0.104 0.000 1.196 398 G CA -0.431 44.413 45.100 -0.428 0.000 0.908 398 G HN 0.493 nan 8.290 nan 0.000 0.524 399 N N -2.140 116.605 118.700 0.075 0.000 2.761 399 N HA 0.296 5.035 4.740 -0.001 0.000 0.283 399 N C 0.743 176.422 175.510 0.280 0.000 1.377 399 N CA -0.960 52.192 53.050 0.169 0.000 0.791 399 N CB 1.467 40.057 38.487 0.172 0.000 1.540 399 N HN 0.346 nan 8.380 nan 0.000 0.539 400 K N -0.195 120.326 120.400 0.202 0.000 2.009 400 K HA -0.173 4.147 4.320 -0.001 0.000 0.210 400 K C 1.807 178.532 176.600 0.208 0.000 1.049 400 K CA 1.470 57.863 56.287 0.177 0.000 0.929 400 K CB -0.220 32.351 32.500 0.118 0.000 0.714 400 K HN 0.525 nan 8.250 nan 0.000 0.440 401 R N 0.246 120.900 120.500 0.257 0.000 2.105 401 R HA -0.204 4.136 4.340 -0.001 0.000 0.239 401 R C 2.050 178.596 176.300 0.411 0.000 1.135 401 R CA 1.618 57.901 56.100 0.304 0.000 0.967 401 R CB -0.284 30.206 30.300 0.317 0.000 0.861 401 R HN 0.381 nan 8.270 nan 0.000 0.442 402 W N 1.607 123.063 121.300 0.260 0.000 2.381 402 W HA -0.171 4.489 4.660 -0.001 0.000 0.323 402 W C 2.214 178.641 176.519 -0.154 0.000 1.194 402 W CA 2.021 59.289 57.345 -0.128 0.000 1.296 402 W CB -0.496 28.892 29.460 -0.121 0.000 1.175 402 W HN -0.018 nan 8.180 nan 0.000 0.465 403 K N 0.614 121.106 120.400 0.153 0.000 2.049 403 K HA -0.343 3.977 4.320 -0.001 0.000 0.219 403 K C 2.084 178.540 176.600 -0.240 0.000 1.056 403 K CA 2.659 58.897 56.287 -0.082 0.000 0.946 403 K CB -0.467 32.117 32.500 0.140 0.000 0.723 403 K HN -0.027 nan 8.250 nan 0.000 0.453 404 K N 0.095 120.441 120.400 -0.089 0.000 2.044 404 K HA -0.171 4.148 4.320 -0.001 0.000 0.210 404 K C 2.256 178.776 176.600 -0.133 0.000 1.049 404 K CA 1.572 57.815 56.287 -0.074 0.000 0.927 404 K CB -0.769 31.735 32.500 0.006 0.000 0.713 404 K HN 0.407 nan 8.250 nan 0.000 0.443 405 A N 1.294 124.012 122.820 -0.170 0.000 1.917 405 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 405 A C 2.590 179.996 177.584 -0.297 0.000 1.182 405 A CA 2.112 54.038 52.037 -0.185 0.000 0.633 405 A CB -0.774 18.108 19.000 -0.197 0.000 0.819 405 A HN 0.092 nan 8.150 nan 0.000 0.448 406 V N 0.305 119.886 119.914 -0.555 0.000 2.307 406 V HA -0.266 3.854 4.120 -0.001 0.000 0.245 406 V C 2.114 178.055 176.094 -0.255 0.000 1.045 406 V CA 2.350 64.350 62.300 -0.500 0.000 1.024 406 V CB -1.166 30.150 31.823 -0.844 0.000 0.651 406 V HN 0.563 nan 8.190 nan 0.000 0.449 407 D N 0.891 121.157 120.400 -0.222 0.000 2.133 407 D HA -0.229 4.411 4.640 -0.001 0.000 0.192 407 D C 2.187 178.443 176.300 -0.074 0.000 1.001 407 D CA 1.878 55.807 54.000 -0.118 0.000 0.844 407 D CB -0.372 40.373 40.800 -0.092 0.000 0.944 407 D HN 0.442 nan 8.370 nan 0.000 0.447 408 A N 0.321 123.101 122.820 -0.067 0.000 1.940 408 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 408 A C 2.197 179.779 177.584 -0.003 0.000 1.176 408 A CA 1.101 53.124 52.037 -0.024 0.000 0.631 408 A CB -0.800 18.193 19.000 -0.012 0.000 0.814 408 A HN 0.267 nan 8.150 nan 0.000 0.446 409 I N -0.726 119.840 120.570 -0.007 0.000 2.614 409 I HA -0.202 3.967 4.170 -0.001 0.000 0.258 409 I C 2.041 178.163 176.117 0.009 0.000 1.189 409 I CA 0.853 62.175 61.300 0.038 0.000 1.462 409 I CB -0.181 37.860 38.000 0.068 0.000 1.092 409 I HN 0.289 nan 8.210 nan 0.000 0.442 410 L N 0.023 121.237 121.223 -0.016 0.000 2.307 410 L HA 0.072 4.411 4.340 -0.001 0.000 0.211 410 L C 2.678 179.551 176.870 0.004 0.000 1.099 410 L CA 0.489 55.324 54.840 -0.009 0.000 0.816 410 L CB -0.365 41.682 42.059 -0.021 0.000 0.952 410 L HN 0.152 nan 8.230 nan 0.000 0.455 411 A N 0.160 122.981 122.820 0.001 0.000 2.067 411 A HA -0.046 4.273 4.320 -0.001 0.000 0.219 411 A C 2.466 180.061 177.584 0.017 0.000 1.158 411 A CA 1.388 53.428 52.037 0.005 0.000 0.661 411 A CB -0.366 18.635 19.000 0.001 0.000 0.801 411 A HN 0.361 nan 8.150 nan 0.000 0.452 412 A N -0.708 122.128 122.820 0.027 0.000 1.898 412 A HA 0.148 4.467 4.320 -0.001 0.000 0.216 412 A C 1.637 179.250 177.584 0.049 0.000 1.181 412 A CA 1.410 53.469 52.037 0.038 0.000 0.620 412 A CB -0.484 18.545 19.000 0.048 0.000 0.819 412 A HN 0.606 nan 8.150 nan 0.000 0.442 413 S N -1.483 114.254 115.700 0.062 0.000 2.549 413 S HA 0.508 4.977 4.470 -0.001 0.000 0.297 413 S C -2.122 172.538 174.600 0.101 0.000 1.115 413 S CA -1.533 56.738 58.200 0.118 0.000 1.059 413 S CB 1.411 64.708 63.200 0.163 0.000 1.046 413 S HN -0.015 nan 8.310 nan 0.000 0.506 414 P HA -0.018 nan 4.420 nan 0.000 0.222 414 P C 0.157 177.316 177.300 -0.236 0.000 1.147 414 P CA 1.151 64.171 63.100 -0.133 0.000 0.790 414 P CB -0.065 31.485 31.700 -0.248 0.000 0.780 415 Y N -1.812 118.462 120.300 -0.043 0.000 2.475 415 Y HA 0.145 4.694 4.550 -0.001 0.000 0.289 415 Y C 2.496 178.369 175.900 -0.044 0.000 1.121 415 Y CA 1.053 59.117 58.100 -0.060 0.000 1.257 415 Y CB -1.099 37.301 38.460 -0.099 0.000 1.026 415 Y HN -0.057 nan 8.280 nan 0.000 0.555 416 G N -0.254 108.610 108.800 0.107 0.000 2.744 416 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.211 416 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.211 416 G C 1.454 176.368 174.900 0.022 0.000 1.146 416 G CA -0.127 45.005 45.100 0.053 0.000 0.787 416 G HN 0.227 nan 8.290 nan 0.000 0.534 417 K N 0.437 120.839 120.400 0.004 0.000 2.585 417 K HA -0.038 4.282 4.320 -0.001 0.000 0.194 417 K C 1.182 177.781 176.600 -0.001 0.000 1.037 417 K CA 0.514 56.798 56.287 -0.005 0.000 0.964 417 K CB -0.082 32.408 32.500 -0.016 0.000 0.787 417 K HN 0.372 nan 8.250 nan 0.000 0.488 418 N N 0.304 119.006 118.700 0.003 0.000 2.238 418 N HA 0.088 4.827 4.740 -0.001 0.000 0.222 418 N C -0.865 174.659 175.510 0.024 0.000 1.133 418 N CA -0.319 52.736 53.050 0.009 0.000 0.854 418 N CB 0.548 39.034 38.487 -0.002 0.000 1.041 418 N HN 0.059 nan 8.380 nan 0.000 0.510 419 A N 0.224 123.064 122.820 0.034 0.000 2.355 419 A HA 0.600 4.920 4.320 -0.001 0.000 0.324 419 A C -0.209 177.420 177.584 0.075 0.000 1.117 419 A CA -0.493 51.582 52.037 0.063 0.000 0.785 419 A CB 1.069 20.105 19.000 0.060 0.000 1.254 419 A HN 0.235 nan 8.150 nan 0.000 0.453 420 T N -0.554 114.088 114.554 0.147 0.000 2.912 420 T HA 0.680 5.029 4.350 -0.001 0.000 0.288 420 T C -0.232 174.482 174.700 0.023 0.000 1.030 420 T CA -0.673 61.449 62.100 0.037 0.000 1.020 420 T CB 1.362 70.232 68.868 0.003 0.000 1.056 420 T HN 0.517 nan 8.240 nan 0.000 0.480 421 V N 1.355 121.167 119.914 -0.169 0.000 2.834 421 V HA 0.578 4.697 4.120 -0.001 0.000 0.313 421 V C -1.281 174.645 176.094 -0.279 0.000 1.060 421 V CA -0.871 61.407 62.300 -0.036 0.000 0.989 421 V CB 0.914 32.729 31.823 -0.013 0.000 1.041 421 V HN 0.919 nan 8.190 nan 0.000 0.459 422 Y N 3.271 123.694 120.300 0.205 0.000 2.330 422 Y HA 0.663 5.213 4.550 -0.001 0.000 0.324 422 Y C -0.116 175.860 175.900 0.127 0.000 1.093 422 Y CA -0.655 57.534 58.100 0.148 0.000 1.103 422 Y CB 1.711 40.244 38.460 0.122 0.000 1.183 422 Y HN 0.610 nan 8.280 nan 0.000 0.433 423 I N -1.173 119.511 120.570 0.191 0.000 2.740 423 I HA 0.909 5.078 4.170 -0.001 0.000 0.303 423 I C 0.828 176.947 176.117 0.004 0.000 1.044 423 I CA -0.969 60.391 61.300 0.100 0.000 1.064 423 I CB 2.293 40.368 38.000 0.125 0.000 1.249 423 I HN 0.725 nan 8.210 nan 0.000 0.433 424 G N 3.114 111.868 108.800 -0.077 0.000 2.168 424 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.257 424 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.257 424 G C -0.054 174.778 174.900 -0.113 0.000 0.997 424 G CA 0.288 45.295 45.100 -0.154 0.000 0.708 424 G HN 0.759 nan 8.290 nan 0.000 0.520 425 K N 0.717 121.069 120.400 -0.080 0.000 2.292 425 K HA 0.482 4.801 4.320 -0.001 0.000 0.257 425 K C -0.161 176.352 176.600 -0.145 0.000 0.940 425 K CA -0.477 55.519 56.287 -0.485 0.000 0.811 425 K CB 1.550 33.643 32.500 -0.679 0.000 1.120 425 K HN 0.383 nan 8.250 nan 0.000 0.428 426 D N 1.426 121.739 120.400 -0.144 0.000 2.423 426 D HA 0.082 4.721 4.640 -0.001 0.000 0.255 426 D C 1.205 177.436 176.300 -0.115 0.000 1.174 426 D CA -0.595 53.238 54.000 -0.278 0.000 1.008 426 D CB 0.733 41.380 40.800 -0.255 0.000 1.101 426 D HN 0.317 nan 8.370 nan 0.000 0.516 427 L N -0.381 120.651 121.223 -0.318 0.000 2.021 427 L HA -0.184 4.155 4.340 -0.001 0.000 0.215 427 L C 2.207 178.964 176.870 -0.188 0.000 1.074 427 L CA 1.442 56.059 54.840 -0.372 0.000 0.760 427 L CB -0.488 41.327 42.059 -0.406 0.000 0.889 427 L HN 0.645 nan 8.230 nan 0.000 0.433 428 W N 0.635 121.798 121.300 -0.227 0.000 2.389 428 W HA -0.250 4.409 4.660 -0.001 0.000 0.267 428 W C 2.113 178.505 176.519 -0.213 0.000 1.219 428 W CA 1.887 59.108 57.345 -0.207 0.000 1.189 428 W CB -0.244 29.081 29.460 -0.226 0.000 1.129 428 W HN 0.402 nan 8.180 nan 0.000 0.581 429 H N -0.605 118.351 119.070 -0.190 0.000 2.372 429 H HA -0.113 4.442 4.556 -0.001 0.000 0.301 429 H C 1.940 177.149 175.328 -0.199 0.000 1.065 429 H CA 1.722 57.650 56.048 -0.201 0.000 1.364 429 H CB -0.741 28.756 29.762 -0.441 0.000 1.406 429 H HN 0.046 nan 8.280 nan 0.000 0.521 430 L N 0.973 122.094 121.223 -0.171 0.000 2.275 430 L HA -0.027 4.312 4.340 -0.001 0.000 0.215 430 L C 2.265 178.951 176.870 -0.307 0.000 1.119 430 L CA 1.292 55.974 54.840 -0.263 0.000 0.790 430 L CB -0.498 41.374 42.059 -0.312 0.000 0.919 430 L HN 0.086 nan 8.230 nan 0.000 0.443 431 R N -1.183 119.085 120.500 -0.387 0.000 2.096 431 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 431 R C 2.101 178.136 176.300 -0.442 0.000 1.127 431 R CA 1.656 57.463 56.100 -0.489 0.000 0.968 431 R CB -0.061 29.827 30.300 -0.686 0.000 0.861 431 R HN 0.445 nan 8.270 nan 0.000 0.440 432 S N 1.092 116.585 115.700 -0.346 0.000 2.338 432 S HA -0.075 4.395 4.470 -0.001 0.000 0.218 432 S C 1.905 176.394 174.600 -0.186 0.000 1.032 432 S CA 0.778 58.868 58.200 -0.184 0.000 0.999 432 S CB -0.282 62.845 63.200 -0.121 0.000 0.905 432 S HN 0.233 nan 8.310 nan 0.000 0.439 433 L N 1.973 123.027 121.223 -0.281 0.000 2.064 433 L HA -0.155 4.185 4.340 -0.001 0.000 0.216 433 L C 2.525 179.217 176.870 -0.297 0.000 1.077 433 L CA 1.884 56.438 54.840 -0.478 0.000 0.766 433 L CB -1.622 39.974 42.059 -0.772 0.000 0.890 433 L HN 0.394 nan 8.230 nan 0.000 0.435 434 V N -5.704 114.095 119.914 -0.192 0.000 3.380 434 V HA -0.149 3.971 4.120 -0.001 0.000 0.268 434 V C 2.020 178.066 176.094 -0.080 0.000 1.168 434 V CA 0.900 63.147 62.300 -0.088 0.000 1.156 434 V CB -0.834 30.887 31.823 -0.171 0.000 0.785 434 V HN 0.201 nan 8.190 nan 0.000 0.487 435 F N 1.766 121.634 119.950 -0.137 0.000 2.343 435 F HA -0.012 4.514 4.527 -0.001 0.000 0.286 435 F C 2.794 178.493 175.800 -0.169 0.000 1.057 435 F CA 0.996 58.893 58.000 -0.171 0.000 1.365 435 F CB 0.110 38.970 39.000 -0.232 0.000 1.114 435 F HN 0.267 nan 8.300 nan 0.000 0.545 436 T N -3.119 111.461 114.554 0.044 0.000 2.904 436 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 436 T C 0.542 175.248 174.700 0.011 0.000 1.059 436 T CA 0.898 62.981 62.100 -0.028 0.000 1.137 436 T CB -0.092 68.727 68.868 -0.082 0.000 0.879 436 T HN -0.000 nan 8.240 nan 0.000 0.467 437 D N 1.491 121.935 120.400 0.073 0.000 2.405 437 D HA 0.332 4.971 4.640 -0.001 0.000 0.264 437 D C -0.480 175.952 176.300 0.220 0.000 1.240 437 D CA -0.403 53.694 54.000 0.161 0.000 0.893 437 D CB 0.722 41.691 40.800 0.282 0.000 1.198 437 D HN 0.448 nan 8.370 nan 0.000 0.514 438 K N 2.958 123.428 120.400 0.117 0.000 2.416 438 K HA 0.375 4.695 4.320 -0.001 0.000 0.283 438 K C -2.381 174.243 176.600 0.039 0.000 1.037 438 K CA -0.723 55.618 56.287 0.089 0.000 0.995 438 K CB -0.282 32.277 32.500 0.098 0.000 0.938 438 K HN 0.307 nan 8.250 nan 0.000 0.475 439 P HA 0.146 nan 4.420 nan 0.000 0.288 439 P C 0.028 177.224 177.300 -0.175 0.000 1.291 439 P CA -0.443 62.621 63.100 -0.060 0.000 0.766 439 P CB 0.609 32.311 31.700 0.003 0.000 1.242 440 D N -1.698 118.519 120.400 -0.305 0.000 2.490 440 D HA 0.162 4.802 4.640 -0.001 0.000 0.244 440 D C 0.257 175.943 176.300 -1.023 0.000 0.979 440 D CA 1.314 54.942 54.000 -0.619 0.000 0.924 440 D CB 0.220 40.708 40.800 -0.520 0.000 1.075 440 D HN 0.221 nan 8.370 nan 0.000 0.488 441 F N -0.712 119.077 119.950 -0.269 0.000 2.715 441 F HA 0.478 5.004 4.527 -0.001 0.000 0.318 441 F C -0.251 175.559 175.800 0.016 0.000 1.141 441 F CA -1.005 56.925 58.000 -0.118 0.000 0.950 441 F CB 1.268 40.205 39.000 -0.106 0.000 1.374 441 F HN -0.418 nan 8.300 nan 0.000 0.477 442 M N 1.921 121.707 119.600 0.310 0.000 2.535 442 M HA 0.615 5.094 4.480 -0.001 0.000 0.314 442 M C -1.365 175.049 176.300 0.190 0.000 1.153 442 M CA -0.504 54.960 55.300 0.273 0.000 0.924 442 M CB 2.737 35.506 32.600 0.283 0.000 1.710 442 M HN 0.404 nan 8.290 nan 0.000 0.451 443 I N 1.850 122.464 120.570 0.074 0.000 2.495 443 I HA 0.624 4.793 4.170 -0.001 0.000 0.277 443 I C 0.041 175.850 176.117 -0.512 0.000 1.045 443 I CA -0.293 60.948 61.300 -0.099 0.000 1.135 443 I CB 1.285 39.285 38.000 -0.000 0.000 1.241 443 I HN 0.888 nan 8.210 nan 0.000 0.469 444 G N 4.318 112.675 108.800 -0.738 0.000 2.753 444 G HA2 0.346 4.306 3.960 -0.001 0.000 0.303 444 G HA3 0.346 4.306 3.960 -0.001 0.000 0.303 444 G C -1.245 173.209 174.900 -0.742 0.000 1.242 444 G CA -0.580 43.652 45.100 -1.448 0.000 0.810 444 G HN 0.520 nan 8.290 nan 0.000 0.515 445 N N -0.776 117.573 118.700 -0.586 0.000 2.495 445 N HA 0.344 5.083 4.740 -0.001 0.000 0.294 445 N C 1.119 176.486 175.510 -0.237 0.000 1.276 445 N CA 0.206 53.074 53.050 -0.303 0.000 0.973 445 N CB 0.569 38.910 38.487 -0.243 0.000 1.143 445 N HN 0.218 nan 8.380 nan 0.000 0.589 446 S N -1.708 113.729 115.700 -0.439 0.000 2.419 446 S HA -0.109 4.361 4.470 -0.001 0.000 0.233 446 S C 1.345 175.740 174.600 -0.342 0.000 1.016 446 S CA 0.715 58.670 58.200 -0.408 0.000 0.974 446 S CB -0.830 62.049 63.200 -0.534 0.000 0.786 446 S HN 0.483 nan 8.310 nan 0.000 0.492 447 Y N 1.116 121.315 120.300 -0.168 0.000 2.403 447 Y HA -0.091 4.458 4.550 -0.001 0.000 0.291 447 Y C 2.457 178.268 175.900 -0.149 0.000 1.143 447 Y CA 0.294 58.287 58.100 -0.178 0.000 1.257 447 Y CB -0.289 38.174 38.460 0.005 0.000 0.984 447 Y HN 0.382 nan 8.280 nan 0.000 0.550 448 G N -0.134 108.824 108.800 0.264 0.000 3.124 448 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.212 448 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.212 448 G C 1.435 176.379 174.900 0.073 0.000 1.181 448 G CA -0.084 45.217 45.100 0.335 0.000 0.803 448 G HN 0.304 nan 8.290 nan 0.000 0.529 449 K N 0.058 120.361 120.400 -0.163 0.000 2.155 449 K HA 0.036 4.355 4.320 -0.001 0.000 0.203 449 K C 1.628 178.236 176.600 0.014 0.000 1.052 449 K CA 0.669 56.855 56.287 -0.168 0.000 0.948 449 K CB -0.211 32.079 32.500 -0.349 0.000 0.728 449 K HN 0.447 nan 8.250 nan 0.000 0.448 450 F N 0.460 120.473 119.950 0.106 0.000 2.335 450 F HA 0.011 4.538 4.527 -0.001 0.000 0.296 450 F C 2.051 177.869 175.800 0.031 0.000 1.091 450 F CA -0.012 58.037 58.000 0.082 0.000 1.399 450 F CB -0.031 39.028 39.000 0.099 0.000 1.067 450 F HN -0.093 nan 8.300 nan 0.000 0.520 451 I N 0.474 121.127 120.570 0.139 0.000 2.394 451 I HA -0.295 3.875 4.170 -0.001 0.000 0.251 451 I C 2.582 178.677 176.117 -0.037 0.000 1.136 451 I CA 1.285 62.566 61.300 -0.032 0.000 1.425 451 I CB -0.460 37.479 38.000 -0.102 0.000 1.079 451 I HN 0.242 nan 8.210 nan 0.000 0.425 452 Q N 1.595 121.422 119.800 0.046 0.000 1.993 452 Q HA -0.273 4.067 4.340 -0.001 0.000 0.202 452 Q C 2.450 178.503 176.000 0.089 0.000 0.984 452 Q CA 1.826 57.661 55.803 0.052 0.000 0.837 452 Q CB -0.241 28.541 28.738 0.074 0.000 0.902 452 Q HN 0.311 nan 8.270 nan 0.000 0.423 453 R N 0.062 120.652 120.500 0.151 0.000 2.096 453 R HA -0.215 4.125 4.340 -0.001 0.000 0.240 453 R C 1.389 177.823 176.300 0.222 0.000 1.139 453 R CA 2.168 58.380 56.100 0.187 0.000 0.952 453 R CB -0.459 29.980 30.300 0.233 0.000 0.854 453 R HN 0.399 nan 8.270 nan 0.000 0.436 454 D N -0.252 120.271 120.400 0.205 0.000 2.221 454 D HA -0.125 4.515 4.640 -0.001 0.000 0.204 454 D C 1.867 178.420 176.300 0.421 0.000 0.982 454 D CA 1.942 56.115 54.000 0.289 0.000 0.857 454 D CB -0.249 40.621 40.800 0.117 0.000 0.934 454 D HN 0.549 nan 8.370 nan 0.000 0.475 455 T N -1.410 113.239 114.554 0.158 0.000 2.942 455 T HA -0.063 4.287 4.350 -0.001 0.000 0.265 455 T C 1.959 176.889 174.700 0.384 0.000 1.062 455 T CA 0.268 62.502 62.100 0.222 0.000 1.139 455 T CB -0.321 68.521 68.868 -0.043 0.000 0.883 455 T HN 0.036 nan 8.240 nan 0.000 0.468 456 L N 1.119 122.505 121.223 0.272 0.000 2.044 456 L HA 0.032 4.371 4.340 -0.001 0.000 0.205 456 L C 2.594 179.612 176.870 0.247 0.000 1.075 456 L CA 1.739 56.709 54.840 0.216 0.000 0.747 456 L CB -1.030 41.116 42.059 0.144 0.000 0.903 456 L HN 0.384 nan 8.230 nan 0.000 0.435 457 H N 0.239 119.422 119.070 0.189 0.000 2.426 457 H HA -0.256 4.299 4.556 -0.001 0.000 0.298 457 H C 2.165 177.515 175.328 0.037 0.000 1.107 457 H CA 2.159 58.249 56.048 0.070 0.000 1.298 457 H CB 0.219 30.002 29.762 0.035 0.000 1.377 457 H HN 0.431 nan 8.280 nan 0.000 0.519 458 K N -0.103 120.583 120.400 0.476 0.000 2.062 458 K HA 0.018 4.337 4.320 -0.001 0.000 0.205 458 K C 0.200 177.020 176.600 0.367 0.000 1.051 458 K CA 1.062 57.610 56.287 0.435 0.000 0.941 458 K CB 0.232 33.045 32.500 0.523 0.000 0.719 458 K HN 0.369 nan 8.250 nan 0.000 0.440 459 G N -0.073 108.933 108.800 0.344 0.000 2.387 459 G HA2 0.030 3.990 3.960 -0.001 0.000 0.309 459 G HA3 0.030 3.990 3.960 -0.001 0.000 0.309 459 G C -0.615 174.292 174.900 0.012 0.000 1.641 459 G CA -0.704 44.471 45.100 0.124 0.000 0.904 459 G HN -0.127 nan 8.290 nan 0.000 0.661 460 K N 0.450 120.812 120.400 -0.064 0.000 2.160 460 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 460 K C 2.133 178.654 176.600 -0.131 0.000 1.047 460 K CA 2.169 58.418 56.287 -0.063 0.000 0.930 460 K CB 0.102 32.562 32.500 -0.067 0.000 0.720 460 K HN 0.698 nan 8.250 nan 0.000 0.450 461 E N -1.176 118.838 120.200 -0.310 0.000 2.418 461 E HA -0.089 4.261 4.350 -0.001 0.000 0.197 461 E C 1.325 177.710 176.600 -0.360 0.000 1.026 461 E CA 0.901 57.056 56.400 -0.407 0.000 0.862 461 E CB -0.368 28.969 29.700 -0.605 0.000 0.799 461 E HN 0.360 nan 8.360 nan 0.000 0.518 462 F N 0.684 120.664 119.950 0.049 0.000 2.704 462 F HA 0.175 4.702 4.527 -0.001 0.000 0.304 462 F C 1.054 176.896 175.800 0.070 0.000 1.094 462 F CA -0.702 57.350 58.000 0.087 0.000 1.275 462 F CB 0.464 39.569 39.000 0.175 0.000 1.073 462 F HN -0.071 nan 8.300 nan 0.000 0.586 463 E N 2.065 122.366 120.200 0.168 0.000 2.414 463 E HA 0.083 4.432 4.350 -0.001 0.000 0.263 463 E C -0.793 175.808 176.600 0.001 0.000 1.000 463 E CA -0.033 56.421 56.400 0.089 0.000 0.914 463 E CB 0.981 30.712 29.700 0.053 0.000 0.948 463 E HN -0.107 nan 8.360 nan 0.000 0.444 464 V N 7.805 127.707 119.914 -0.021 0.000 2.293 464 V HA 0.244 4.363 4.120 -0.001 0.000 0.275 464 V C -2.195 173.888 176.094 -0.018 0.000 1.021 464 V CA -1.857 60.400 62.300 -0.073 0.000 0.815 464 V CB 1.122 32.906 31.823 -0.065 0.000 1.025 464 V HN 0.736 nan 8.190 nan 0.000 0.448 465 P HA 0.082 nan 4.420 nan 0.000 0.267 465 P C -0.690 176.720 177.300 0.184 0.000 1.200 465 P CA -0.189 62.977 63.100 0.111 0.000 0.772 465 P CB 0.567 32.392 31.700 0.209 0.000 0.855 466 L N 4.687 125.994 121.223 0.139 0.000 2.280 466 L HA 0.426 4.765 4.340 -0.001 0.000 0.287 466 L C -0.879 176.037 176.870 0.077 0.000 1.023 466 L CA -0.152 54.757 54.840 0.116 0.000 0.819 466 L CB 0.063 42.168 42.059 0.077 0.000 1.212 466 L HN 0.228 nan 8.230 nan 0.000 0.420 467 I N 5.738 126.352 120.570 0.074 0.000 2.312 467 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 467 I C 0.179 176.275 176.117 -0.035 0.000 1.031 467 I CA -0.467 60.842 61.300 0.015 0.000 1.293 467 I CB 0.533 38.542 38.000 0.015 0.000 1.403 467 I HN 0.522 nan 8.210 nan 0.000 0.484 468 R N 8.006 128.476 120.500 -0.049 0.000 2.248 468 R HA 0.559 4.898 4.340 -0.001 0.000 0.337 468 R C -0.830 175.459 176.300 -0.018 0.000 1.106 468 R CA -0.144 55.907 56.100 -0.082 0.000 0.959 468 R CB 0.246 30.486 30.300 -0.099 0.000 1.075 468 R HN 0.563 nan 8.270 nan 0.000 0.480 469 I N 1.723 122.295 120.570 0.004 0.000 2.499 469 I HA 0.543 4.713 4.170 -0.001 0.000 0.288 469 I C 0.612 176.901 176.117 0.287 0.000 1.048 469 I CA -0.521 60.910 61.300 0.219 0.000 1.062 469 I CB 2.154 40.309 38.000 0.258 0.000 1.238 469 I HN 0.852 nan 8.210 nan 0.000 0.426 470 G N 5.548 114.678 108.800 0.550 0.000 2.250 470 G HA2 0.005 3.964 3.960 -0.001 0.000 0.189 470 G HA3 0.005 3.964 3.960 -0.001 0.000 0.189 470 G C -1.595 173.451 174.900 0.243 0.000 1.298 470 G CA -0.448 44.955 45.100 0.504 0.000 1.246 470 G HN 0.636 nan 8.290 nan 0.000 0.513 471 F N 1.098 121.025 119.950 -0.038 0.000 2.654 471 F HA 0.641 5.167 4.527 -0.001 0.000 0.314 471 F C -2.721 172.991 175.800 -0.147 0.000 1.116 471 F CA -1.192 56.766 58.000 -0.070 0.000 1.017 471 F CB 2.168 41.159 39.000 -0.015 0.000 1.285 471 F HN 0.489 nan 8.300 nan 0.000 0.448 472 P HA 0.518 nan 4.420 nan 0.000 0.289 472 P C -1.041 175.697 177.300 -0.937 0.000 1.299 472 P CA -0.187 62.098 63.100 -1.358 0.000 0.766 472 P CB 0.833 31.167 31.700 -2.278 0.000 1.226 473 I N 0.217 120.198 120.570 -0.983 0.000 2.628 473 I HA 0.183 4.352 4.170 -0.001 0.000 0.271 473 I C 0.069 175.915 176.117 -0.451 0.000 1.237 473 I CA 0.087 61.000 61.300 -0.645 0.000 1.036 473 I CB 0.651 38.356 38.000 -0.492 0.000 1.285 473 I HN 0.344 nan 8.210 nan 0.000 0.500 474 F N 1.776 121.497 119.950 -0.382 0.000 2.437 474 F HA -0.033 4.493 4.527 -0.001 0.000 0.288 474 F C 2.165 177.865 175.800 -0.167 0.000 1.085 474 F CA -0.135 57.691 58.000 -0.291 0.000 1.430 474 F CB 0.302 39.135 39.000 -0.278 0.000 1.120 474 F HN 0.458 nan 8.300 nan 0.000 0.556 475 D N 0.124 120.543 120.400 0.032 0.000 2.363 475 D HA -0.041 4.598 4.640 -0.001 0.000 0.226 475 D C 0.580 176.897 176.300 0.028 0.000 1.020 475 D CA 0.495 54.513 54.000 0.029 0.000 0.892 475 D CB -0.054 40.740 40.800 -0.010 0.000 0.900 475 D HN 0.057 nan 8.370 nan 0.000 0.531 476 R N -0.499 120.017 120.500 0.028 0.000 2.867 476 R HA 0.453 4.793 4.340 -0.001 0.000 0.268 476 R C -0.530 175.858 176.300 0.147 0.000 1.014 476 R CA -0.665 55.461 56.100 0.044 0.000 0.946 476 R CB 1.228 31.509 30.300 -0.030 0.000 1.208 476 R HN 0.233 nan 8.270 nan 0.000 0.477 477 H N 0.911 119.891 119.070 -0.149 0.000 2.524 477 H HA 0.264 4.820 4.556 -0.001 0.000 0.353 477 H C -0.289 174.897 175.328 -0.237 0.000 1.136 477 H CA -0.678 55.190 56.048 -0.299 0.000 1.193 477 H CB 1.309 30.840 29.762 -0.385 0.000 1.558 477 H HN 0.603 nan 8.280 nan 0.000 0.515 478 H N 1.814 120.970 119.070 0.145 0.000 2.776 478 H HA -0.149 4.406 4.556 -0.001 0.000 0.300 478 H C 0.604 175.848 175.328 -0.141 0.000 1.161 478 H CA 0.201 56.239 56.048 -0.017 0.000 1.147 478 H CB -1.335 28.414 29.762 -0.022 0.000 1.366 478 H HN 0.481 nan 8.280 nan 0.000 0.397 479 L N 0.638 121.860 121.223 -0.001 0.000 2.375 479 L HA -0.037 4.302 4.340 -0.001 0.000 0.215 479 L C 2.797 179.687 176.870 0.032 0.000 1.108 479 L CA 1.540 56.382 54.840 0.004 0.000 0.830 479 L CB -0.611 41.448 42.059 -0.001 0.000 0.959 479 L HN 0.578 nan 8.230 nan 0.000 0.457 480 H N -0.138 118.865 119.070 -0.112 0.000 2.518 480 H HA -0.111 4.445 4.556 -0.001 0.000 0.292 480 H C 1.405 176.793 175.328 0.099 0.000 1.068 480 H CA 1.035 57.003 56.048 -0.133 0.000 1.275 480 H CB -0.340 29.234 29.762 -0.312 0.000 1.375 480 H HN 0.388 nan 8.280 nan 0.000 0.563 481 R N 1.480 121.824 120.500 -0.260 0.000 2.275 481 R HA 0.066 4.406 4.340 -0.001 0.000 0.199 481 R C 1.057 177.340 176.300 -0.027 0.000 0.989 481 R CA 0.525 56.541 56.100 -0.138 0.000 1.016 481 R CB 0.214 30.373 30.300 -0.234 0.000 0.918 481 R HN 0.352 nan 8.270 nan 0.000 0.473 482 S N 0.378 116.082 115.700 0.007 0.000 2.640 482 S HA 0.266 4.735 4.470 -0.001 0.000 0.262 482 S C 0.256 174.744 174.600 -0.187 0.000 1.232 482 S CA -0.460 57.691 58.200 -0.082 0.000 0.988 482 S CB 1.300 64.436 63.200 -0.106 0.000 1.034 482 S HN -0.056 nan 8.310 nan 0.000 0.569 483 T N 0.363 114.739 114.554 -0.297 0.000 2.893 483 T HA 0.615 4.965 4.350 -0.001 0.000 0.291 483 T C 0.691 175.087 174.700 -0.507 0.000 1.028 483 T CA -0.315 61.558 62.100 -0.377 0.000 0.995 483 T CB 1.734 70.457 68.868 -0.243 0.000 1.051 483 T HN 0.855 nan 8.240 nan 0.000 0.470 484 T N -0.589 113.612 114.554 -0.588 0.000 3.043 484 T HA 0.366 4.716 4.350 -0.001 0.000 0.272 484 T C 0.115 174.523 174.700 -0.486 0.000 0.990 484 T CA -0.197 61.549 62.100 -0.589 0.000 0.897 484 T CB 0.006 68.409 68.868 -0.774 0.000 1.111 484 T HN 0.181 nan 8.240 nan 0.000 0.529 485 L N 2.182 123.156 121.223 -0.416 0.000 2.334 485 L HA 0.775 5.115 4.340 -0.001 0.000 0.275 485 L C 1.196 177.847 176.870 -0.364 0.000 1.036 485 L CA 0.512 55.124 54.840 -0.379 0.000 0.807 485 L CB 0.670 42.516 42.059 -0.355 0.000 1.231 485 L HN 0.559 nan 8.230 nan 0.000 0.438 486 G N 1.388 109.949 108.800 -0.398 0.000 2.907 486 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.242 486 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.242 486 G C 0.682 175.363 174.900 -0.365 0.000 1.448 486 G CA 0.575 45.420 45.100 -0.426 0.000 0.911 486 G HN 0.679 nan 8.290 nan 0.000 0.553 487 Y N -0.205 119.997 120.300 -0.164 0.000 2.030 487 Y HA -0.266 4.283 4.550 -0.001 0.000 0.272 487 Y C 2.902 178.703 175.900 -0.166 0.000 1.185 487 Y CA 2.486 60.495 58.100 -0.153 0.000 1.120 487 Y CB -0.367 38.043 38.460 -0.084 0.000 0.955 487 Y HN 0.830 nan 8.280 nan 0.000 0.495 488 E N 0.169 120.390 120.200 0.036 0.000 2.035 488 E HA -0.257 4.092 4.350 -0.001 0.000 0.204 488 E C 2.509 179.036 176.600 -0.121 0.000 1.025 488 E CA 1.462 57.838 56.400 -0.040 0.000 0.835 488 E CB -0.700 28.971 29.700 -0.048 0.000 0.764 488 E HN 0.512 nan 8.360 nan 0.000 0.457 489 G N -0.247 108.438 108.800 -0.193 0.000 2.501 489 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 489 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 489 G C 1.399 176.114 174.900 -0.309 0.000 1.114 489 G CA 0.855 45.793 45.100 -0.271 0.000 0.757 489 G HN 0.421 nan 8.290 nan 0.000 0.559 490 A N 0.147 122.774 122.820 -0.322 0.000 2.081 490 A HA 0.301 4.621 4.320 -0.001 0.000 0.214 490 A C 2.353 179.827 177.584 -0.184 0.000 1.158 490 A CA 0.725 52.491 52.037 -0.452 0.000 0.724 490 A CB -0.152 18.455 19.000 -0.655 0.000 0.826 490 A HN 0.293 nan 8.150 nan 0.000 0.463 491 M N -0.457 119.083 119.600 -0.100 0.000 2.175 491 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 491 M C 2.174 178.456 176.300 -0.029 0.000 1.063 491 M CA 1.380 56.664 55.300 -0.027 0.000 1.119 491 M CB -1.082 31.501 32.600 -0.029 0.000 1.377 491 M HN 0.524 nan 8.290 nan 0.000 0.415 492 Q N 0.204 119.958 119.800 -0.076 0.000 2.020 492 Q HA -0.077 4.263 4.340 -0.001 0.000 0.198 492 Q C 2.213 178.178 176.000 -0.059 0.000 0.974 492 Q CA 0.946 56.702 55.803 -0.079 0.000 0.829 492 Q CB 0.020 28.684 28.738 -0.123 0.000 0.894 492 Q HN 0.383 nan 8.270 nan 0.000 0.433 493 I N 1.259 121.787 120.570 -0.071 0.000 2.113 493 I HA -0.338 3.831 4.170 -0.001 0.000 0.242 493 I C 2.437 178.596 176.117 0.069 0.000 1.064 493 I CA 1.468 62.770 61.300 0.004 0.000 1.320 493 I CB -1.129 36.923 38.000 0.087 0.000 1.028 493 I HN 0.339 nan 8.210 nan 0.000 0.406 494 L N 0.411 121.727 121.223 0.155 0.000 1.970 494 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 494 L C 2.622 179.501 176.870 0.014 0.000 1.071 494 L CA 2.237 57.134 54.840 0.094 0.000 0.751 494 L CB -0.532 41.624 42.059 0.162 0.000 0.889 494 L HN 0.231 nan 8.230 nan 0.000 0.432 495 T N -0.720 113.838 114.554 0.006 0.000 2.720 495 T HA -0.202 4.148 4.350 -0.001 0.000 0.268 495 T C 1.697 176.369 174.700 -0.047 0.000 1.037 495 T CA 1.976 64.064 62.100 -0.021 0.000 1.144 495 T CB -0.681 68.171 68.868 -0.026 0.000 0.864 495 T HN 0.532 nan 8.240 nan 0.000 0.444 496 T N 2.525 117.050 114.554 -0.049 0.000 2.737 496 T HA -0.040 4.309 4.350 -0.001 0.000 0.269 496 T C 1.949 176.591 174.700 -0.097 0.000 1.040 496 T CA 1.078 63.137 62.100 -0.067 0.000 1.142 496 T CB -0.472 68.360 68.868 -0.059 0.000 0.861 496 T HN 0.313 nan 8.240 nan 0.000 0.456 497 L N 0.564 121.732 121.223 -0.092 0.000 2.084 497 L HA 0.022 4.362 4.340 -0.001 0.000 0.202 497 L C 2.763 179.550 176.870 -0.137 0.000 1.074 497 L CA 0.515 55.278 54.840 -0.129 0.000 0.757 497 L CB -0.862 41.151 42.059 -0.075 0.000 0.918 497 L HN 0.081 nan 8.230 nan 0.000 0.444 498 V N 0.347 120.218 119.914 -0.072 0.000 2.324 498 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 498 V C 2.028 178.030 176.094 -0.153 0.000 1.060 498 V CA 1.966 64.231 62.300 -0.059 0.000 1.042 498 V CB -0.828 30.990 31.823 -0.007 0.000 0.650 498 V HN 0.495 nan 8.190 nan 0.000 0.450 499 N N -0.170 118.447 118.700 -0.139 0.000 2.457 499 N HA -0.029 4.710 4.740 -0.001 0.000 0.180 499 N C 1.982 177.394 175.510 -0.162 0.000 1.050 499 N CA 1.123 54.079 53.050 -0.157 0.000 0.906 499 N CB 0.044 38.462 38.487 -0.113 0.000 0.968 499 N HN 0.424 nan 8.380 nan 0.000 0.445 500 S N 0.689 116.273 115.700 -0.192 0.000 2.414 500 S HA 0.158 4.628 4.470 -0.001 0.000 0.227 500 S C 1.984 176.440 174.600 -0.241 0.000 1.022 500 S CA 0.297 58.355 58.200 -0.237 0.000 0.958 500 S CB 0.240 63.209 63.200 -0.384 0.000 0.797 500 S HN 0.241 nan 8.310 nan 0.000 0.493 501 I N 1.227 121.641 120.570 -0.261 0.000 2.235 501 I HA -0.093 4.077 4.170 -0.001 0.000 0.241 501 I C 1.998 178.044 176.117 -0.118 0.000 1.085 501 I CA 0.868 62.133 61.300 -0.059 0.000 1.378 501 I CB -0.341 37.649 38.000 -0.016 0.000 1.076 501 I HN 0.200 nan 8.210 nan 0.000 0.415 502 L N 0.570 121.611 121.223 -0.303 0.000 2.081 502 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 502 L C 2.525 179.241 176.870 -0.258 0.000 1.080 502 L CA 1.642 56.218 54.840 -0.441 0.000 0.754 502 L CB -0.681 41.083 42.059 -0.492 0.000 0.893 502 L HN 0.338 nan 8.230 nan 0.000 0.433 503 E N -0.638 119.467 120.200 -0.159 0.000 2.051 503 E HA -0.209 4.140 4.350 -0.001 0.000 0.192 503 E C 2.395 178.969 176.600 -0.044 0.000 0.991 503 E CA 0.661 57.005 56.400 -0.093 0.000 0.799 503 E CB -0.064 29.601 29.700 -0.058 0.000 0.748 503 E HN 0.269 nan 8.360 nan 0.000 0.449 504 R N 0.878 121.389 120.500 0.019 0.000 2.083 504 R HA -0.154 4.186 4.340 -0.001 0.000 0.237 504 R C 2.455 178.755 176.300 -0.001 0.000 1.137 504 R CA 0.868 56.999 56.100 0.052 0.000 0.951 504 R CB -0.843 29.551 30.300 0.157 0.000 0.851 504 R HN 0.188 nan 8.270 nan 0.000 0.434 505 L N 1.685 122.887 121.223 -0.036 0.000 2.079 505 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 505 L C 1.592 178.422 176.870 -0.067 0.000 1.081 505 L CA 1.933 56.737 54.840 -0.060 0.000 0.752 505 L CB -0.581 41.401 42.059 -0.129 0.000 0.896 505 L HN 0.111 nan 8.230 nan 0.000 0.433 506 D N -0.871 119.468 120.400 -0.102 0.000 2.178 506 D HA -0.189 4.450 4.640 -0.001 0.000 0.202 506 D C 1.916 178.256 176.300 0.067 0.000 0.974 506 D CA 1.154 55.100 54.000 -0.089 0.000 0.841 506 D CB 0.228 40.941 40.800 -0.145 0.000 0.953 506 D HN 0.584 nan 8.370 nan 0.000 0.478 507 E N 1.028 121.244 120.200 0.026 0.000 2.086 507 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 507 E C 1.573 178.189 176.600 0.025 0.000 0.975 507 E CA 0.468 56.889 56.400 0.036 0.000 0.813 507 E CB 0.241 29.951 29.700 0.018 0.000 0.768 507 E HN 0.292 nan 8.360 nan 0.000 0.457 508 E N -0.144 120.061 120.200 0.010 0.000 2.204 508 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 508 E C 1.487 178.088 176.600 0.002 0.000 0.989 508 E CA 1.552 57.949 56.400 -0.005 0.000 0.824 508 E CB 0.063 29.753 29.700 -0.017 0.000 0.756 508 E HN 0.280 nan 8.360 nan 0.000 0.477 509 T N -2.041 112.533 114.554 0.034 0.000 3.176 509 T HA 0.203 4.552 4.350 -0.001 0.000 0.263 509 T C 1.146 175.884 174.700 0.063 0.000 1.021 509 T CA -0.444 61.682 62.100 0.044 0.000 0.905 509 T CB 0.209 69.103 68.868 0.044 0.000 1.057 509 T HN -0.082 nan 8.240 nan 0.000 0.558 510 R N 1.265 121.778 120.500 0.022 0.000 2.363 510 R HA 0.308 4.647 4.340 -0.001 0.000 0.236 510 R C 0.783 176.968 176.300 -0.192 0.000 0.966 510 R CA -0.267 55.719 56.100 -0.190 0.000 1.100 510 R CB -0.476 29.840 30.300 0.025 0.000 1.125 510 R HN 0.445 nan 8.270 nan 0.000 0.514 511 G N 1.177 109.907 108.800 -0.116 0.000 2.349 511 G HA2 0.184 4.144 3.960 -0.001 0.000 0.281 511 G HA3 0.184 4.144 3.960 -0.001 0.000 0.281 511 G C -0.440 174.417 174.900 -0.072 0.000 1.182 511 G CA -0.577 44.480 45.100 -0.071 0.000 0.899 511 G HN 0.245 nan 8.290 nan 0.000 0.455 512 M N 2.395 121.957 119.600 -0.064 0.000 2.246 512 M HA 0.133 4.613 4.480 -0.001 0.000 0.350 512 M C 1.058 177.350 176.300 -0.014 0.000 1.406 512 M CA 0.608 55.879 55.300 -0.048 0.000 1.089 512 M CB 0.241 32.817 32.600 -0.041 0.000 1.782 512 M HN 0.799 nan 8.290 nan 0.000 0.457 513 Q N 2.268 122.070 119.800 0.004 0.000 2.457 513 Q HA -0.311 4.029 4.340 -0.001 0.000 0.283 513 Q C -0.634 175.387 176.000 0.035 0.000 1.234 513 Q CA 0.832 56.647 55.803 0.021 0.000 0.877 513 Q CB -1.053 27.688 28.738 0.005 0.000 1.250 513 Q HN 0.945 nan 8.270 nan 0.000 0.481 514 A N -2.034 120.825 122.820 0.065 0.000 1.696 514 A HA 0.168 4.487 4.320 -0.001 0.000 0.184 514 A C 1.213 178.909 177.584 0.188 0.000 1.658 514 A CA 0.684 52.771 52.037 0.083 0.000 1.194 514 A CB 0.000 19.024 19.000 0.039 0.000 1.036 514 A HN 0.587 nan 8.150 nan 0.000 0.579 515 T N -1.001 113.625 114.554 0.121 0.000 2.985 515 T HA 0.086 4.436 4.350 -0.001 0.000 0.254 515 T C 0.968 175.622 174.700 -0.076 0.000 1.021 515 T CA 0.966 63.108 62.100 0.071 0.000 0.957 515 T CB 0.076 68.944 68.868 -0.001 0.000 1.047 515 T HN 0.439 nan 8.240 nan 0.000 0.511 516 D N 1.969 122.359 120.400 -0.017 0.000 2.392 516 D HA -0.169 4.470 4.640 -0.001 0.000 0.228 516 D C 1.591 177.909 176.300 0.031 0.000 1.003 516 D CA 0.396 54.345 54.000 -0.085 0.000 0.917 516 D CB -0.718 39.987 40.800 -0.158 0.000 0.890 516 D HN 0.725 nan 8.370 nan 0.000 0.532 517 Y N -0.052 120.267 120.300 0.033 0.000 2.314 517 Y HA 0.066 4.615 4.550 -0.001 0.000 0.293 517 Y C 1.616 177.562 175.900 0.077 0.000 1.129 517 Y CA 0.921 59.048 58.100 0.045 0.000 1.201 517 Y CB -1.067 37.410 38.460 0.029 0.000 0.999 517 Y HN -0.055 nan 8.280 nan 0.000 0.541 518 N N 0.054 118.403 118.700 -0.584 0.000 2.362 518 N HA -0.103 4.637 4.740 -0.001 0.000 0.204 518 N C 0.244 175.712 175.510 -0.069 0.000 1.166 518 N CA -0.015 52.843 53.050 -0.320 0.000 0.831 518 N CB -0.641 37.562 38.487 -0.473 0.000 1.008 518 N HN 0.461 nan 8.380 nan 0.000 0.472 519 H N 0.687 119.684 119.070 -0.121 0.000 2.989 519 H HA 0.024 4.579 4.556 -0.001 0.000 0.284 519 H C -0.596 174.714 175.328 -0.029 0.000 1.440 519 H CA -0.450 55.557 56.048 -0.067 0.000 1.209 519 H CB -0.301 29.432 29.762 -0.048 0.000 1.453 519 H HN 0.352 nan 8.280 nan 0.000 0.550 520 D N 1.553 121.948 120.400 -0.009 0.000 2.648 520 D HA -0.155 4.484 4.640 -0.001 0.000 0.229 520 D C 1.541 177.817 176.300 -0.039 0.000 1.119 520 D CA 0.163 54.166 54.000 0.005 0.000 0.850 520 D CB 1.381 42.205 40.800 0.040 0.000 1.169 520 D HN 0.413 nan 8.370 nan 0.000 0.489 521 L N 4.263 125.483 121.223 -0.006 0.000 2.141 521 L HA -0.076 4.264 4.340 -0.001 0.000 0.209 521 L C 0.539 177.393 176.870 -0.026 0.000 1.094 521 L CA 1.262 56.091 54.840 -0.019 0.000 0.763 521 L CB 0.191 42.254 42.059 0.006 0.000 0.908 521 L HN 0.372 nan 8.230 nan 0.000 0.437 522 V N -0.663 119.252 119.914 0.002 0.000 2.680 522 V HA 0.682 4.802 4.120 -0.001 0.000 0.309 522 V C -0.570 175.562 176.094 0.064 0.000 1.052 522 V CA -0.721 61.590 62.300 0.018 0.000 0.908 522 V CB 1.774 33.615 31.823 0.030 0.000 1.001 522 V HN 0.445 nan 8.190 nan 0.000 0.431 523 R N 0.000 120.550 120.500 0.083 0.000 2.786 523 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 523 R CA 0.000 56.253 56.100 0.255 0.000 0.921 523 R CB 0.000 30.342 30.300 0.070 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535