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 1m34_1_L 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 0.000 174.624 174.600 0.039 0.000 1.055 2 S CA 0.000 58.225 58.200 0.041 0.000 1.107 2 S CB 0.000 63.212 63.200 0.019 0.000 0.593 3 Q N 1.268 121.078 119.800 0.017 0.000 2.345 3 Q HA 0.388 4.728 4.340 -0.000 0.000 0.275 3 Q C -1.570 174.427 176.000 -0.005 0.000 1.063 3 Q CA -0.877 54.926 55.803 0.000 0.000 0.819 3 Q CB 2.190 30.926 28.738 -0.003 0.000 1.356 3 Q HN 0.535 nan 8.270 nan 0.000 0.418 4 Q N 1.928 121.721 119.800 -0.013 0.000 2.390 4 Q HA 0.124 4.464 4.340 -0.000 0.000 0.249 4 Q C 0.943 176.936 176.000 -0.012 0.000 0.996 4 Q CA -0.166 55.630 55.803 -0.011 0.000 0.899 4 Q CB 1.740 30.470 28.738 -0.014 0.000 1.216 4 Q HN 0.580 nan 8.270 nan 0.000 0.465 5 V N 3.211 123.120 119.914 -0.008 0.000 2.511 5 V HA -0.299 3.820 4.120 -0.000 0.000 0.257 5 V C 1.294 177.383 176.094 -0.009 0.000 1.088 5 V CA 2.767 65.063 62.300 -0.007 0.000 1.098 5 V CB -0.053 31.768 31.823 -0.004 0.000 0.674 5 V HN 0.751 nan 8.190 nan 0.000 0.470 6 D N -1.037 119.357 120.400 -0.010 0.000 2.305 6 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 6 D C 1.223 177.515 176.300 -0.014 0.000 0.974 6 D CA 0.304 54.299 54.000 -0.010 0.000 0.871 6 D CB 0.135 40.930 40.800 -0.008 0.000 0.947 6 D HN 0.405 nan 8.370 nan 0.000 0.516 7 K N 0.903 121.292 120.400 -0.019 0.000 2.992 7 K HA 0.321 4.641 4.320 -0.000 0.000 0.178 7 K C -0.985 175.593 176.600 -0.036 0.000 1.122 7 K CA -0.334 55.937 56.287 -0.027 0.000 0.926 7 K CB 0.015 32.498 32.500 -0.028 0.000 1.121 7 K HN -0.055 nan 8.250 nan 0.000 0.610 8 I N 2.226 122.776 120.570 -0.034 0.000 2.692 8 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 8 I C 0.304 176.382 176.117 -0.065 0.000 1.159 8 I CA 0.239 61.513 61.300 -0.043 0.000 1.423 8 I CB 0.657 38.637 38.000 -0.032 0.000 1.380 8 I HN 0.179 nan 8.210 nan 0.000 0.580 9 K N 5.415 125.759 120.400 -0.093 0.000 2.323 9 K HA 0.674 4.994 4.320 -0.000 0.000 0.259 9 K C -0.453 176.043 176.600 -0.172 0.000 0.947 9 K CA -0.649 55.554 56.287 -0.140 0.000 0.819 9 K CB 2.008 34.400 32.500 -0.180 0.000 1.109 9 K HN 0.688 nan 8.250 nan 0.000 0.429 10 A N 1.264 123.995 122.820 -0.150 0.000 2.249 10 A HA 0.179 4.499 4.320 -0.000 0.000 0.281 10 A C 1.509 178.941 177.584 -0.252 0.000 1.127 10 A CA 0.195 52.145 52.037 -0.144 0.000 0.833 10 A CB 0.207 19.176 19.000 -0.052 0.000 1.140 10 A HN 0.885 nan 8.150 nan 0.000 0.502 11 S N -0.635 114.928 115.700 -0.228 0.000 2.393 11 S HA -0.353 4.117 4.470 -0.000 0.000 0.234 11 S C 1.784 176.261 174.600 -0.205 0.000 1.064 11 S CA 2.417 60.409 58.200 -0.347 0.000 1.088 11 S CB -1.043 62.242 63.200 0.141 0.000 0.939 11 S HN 1.109 nan 8.310 nan 0.000 0.448 12 Y N 4.568 124.800 120.300 -0.114 0.000 2.049 12 Y HA 0.039 4.589 4.550 -0.000 0.000 0.277 12 Y C -0.719 175.127 175.900 -0.089 0.000 1.143 12 Y CA 1.211 59.280 58.100 -0.051 0.000 1.115 12 Y CB -1.831 36.617 38.460 -0.019 0.000 0.975 12 Y HN 0.253 nan 8.280 nan 0.000 0.487 13 P HA -0.157 nan 4.420 nan 0.000 0.214 13 P C 2.015 179.087 177.300 -0.381 0.000 1.162 13 P CA 1.522 64.214 63.100 -0.679 0.000 0.874 13 P CB -0.275 31.119 31.700 -0.510 0.000 0.784 14 L N -0.531 120.444 121.223 -0.414 0.000 1.997 14 L HA -0.223 4.117 4.340 -0.000 0.000 0.227 14 L C 1.919 178.488 176.870 -0.501 0.000 1.087 14 L CA 2.099 56.643 54.840 -0.493 0.000 0.797 14 L CB -1.676 39.912 42.059 -0.784 0.000 0.902 14 L HN -0.136 nan 8.230 nan 0.000 0.441 15 F N -0.586 119.169 119.950 -0.326 0.000 2.773 15 F HA -0.037 4.490 4.527 -0.000 0.000 0.299 15 F C 1.904 177.664 175.800 -0.067 0.000 1.204 15 F CA 0.324 58.111 58.000 -0.354 0.000 1.454 15 F CB -0.919 37.916 39.000 -0.276 0.000 1.117 15 F HN 0.131 nan 8.300 nan 0.000 0.590 16 L N -1.106 120.157 121.223 0.066 0.000 2.567 16 L HA 0.079 4.419 4.340 -0.000 0.000 0.225 16 L C 0.313 177.240 176.870 0.096 0.000 1.119 16 L CA -0.040 54.851 54.840 0.084 0.000 0.871 16 L CB -0.336 41.735 42.059 0.020 0.000 1.036 16 L HN -0.132 nan 8.230 nan 0.000 0.459 17 D N 0.388 120.868 120.400 0.132 0.000 2.423 17 D HA -0.059 4.581 4.640 -0.000 0.000 0.238 17 D C 0.969 177.373 176.300 0.174 0.000 1.142 17 D CA 0.210 54.302 54.000 0.154 0.000 0.884 17 D CB 1.212 42.148 40.800 0.227 0.000 1.199 17 D HN -0.074 nan 8.370 nan 0.000 0.438 18 Q N 1.724 121.586 119.800 0.103 0.000 2.077 18 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 18 Q C 1.245 177.290 176.000 0.075 0.000 0.989 18 Q CA 2.104 57.955 55.803 0.079 0.000 0.853 18 Q CB -0.101 28.664 28.738 0.045 0.000 0.907 18 Q HN 0.604 nan 8.270 nan 0.000 0.418 19 D N -1.449 118.978 120.400 0.044 0.000 2.178 19 D HA -0.209 4.431 4.640 -0.000 0.000 0.201 19 D C 1.430 177.708 176.300 -0.037 0.000 0.980 19 D CA 1.280 55.261 54.000 -0.032 0.000 0.842 19 D CB -0.799 39.932 40.800 -0.116 0.000 0.948 19 D HN 0.407 nan 8.370 nan 0.000 0.472 20 Y N 0.983 121.333 120.300 0.083 0.000 2.314 20 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 20 Y C 2.534 178.484 175.900 0.083 0.000 1.129 20 Y CA 0.873 59.042 58.100 0.115 0.000 1.201 20 Y CB -0.036 38.557 38.460 0.222 0.000 0.999 20 Y HN -0.091 nan 8.280 nan 0.000 0.541 21 K N -0.068 120.467 120.400 0.226 0.000 2.057 21 K HA -0.159 4.160 4.320 -0.000 0.000 0.206 21 K C 1.539 178.195 176.600 0.094 0.000 1.050 21 K CA 1.586 57.958 56.287 0.142 0.000 0.935 21 K CB -0.161 32.407 32.500 0.112 0.000 0.715 21 K HN 0.234 nan 8.250 nan 0.000 0.439 22 D N 0.817 121.261 120.400 0.073 0.000 2.117 22 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 22 D C 1.795 178.122 176.300 0.045 0.000 0.987 22 D CA 1.109 55.136 54.000 0.044 0.000 0.829 22 D CB -0.122 40.693 40.800 0.025 0.000 0.961 22 D HN 0.185 nan 8.370 nan 0.000 0.460 23 M N 0.301 119.930 119.600 0.049 0.000 2.067 23 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 23 M C 2.081 178.423 176.300 0.070 0.000 1.069 23 M CA 1.357 56.687 55.300 0.050 0.000 1.117 23 M CB -0.107 32.515 32.600 0.037 0.000 1.334 23 M HN -0.040 nan 8.290 nan 0.000 0.407 24 L N 0.190 121.463 121.223 0.083 0.000 2.191 24 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 24 L C 2.720 179.623 176.870 0.055 0.000 1.103 24 L CA 1.033 55.912 54.840 0.065 0.000 0.769 24 L CB -0.987 41.108 42.059 0.059 0.000 0.908 24 L HN 0.447 nan 8.230 nan 0.000 0.438 25 A N 0.319 123.170 122.820 0.052 0.000 1.897 25 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 25 A C 2.310 179.909 177.584 0.025 0.000 1.181 25 A CA 1.377 53.434 52.037 0.035 0.000 0.620 25 A CB -0.218 18.801 19.000 0.031 0.000 0.821 25 A HN 0.322 nan 8.150 nan 0.000 0.443 26 K N -0.170 120.253 120.400 0.038 0.000 2.155 26 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 26 K C 2.117 178.764 176.600 0.078 0.000 1.052 26 K CA 1.444 57.752 56.287 0.036 0.000 0.948 26 K CB -0.099 32.438 32.500 0.061 0.000 0.728 26 K HN 0.540 nan 8.250 nan 0.000 0.448 27 K N 1.684 122.165 120.400 0.135 0.000 2.057 27 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 27 K C 2.277 178.973 176.600 0.159 0.000 1.050 27 K CA 1.062 57.490 56.287 0.235 0.000 0.935 27 K CB 0.041 32.630 32.500 0.149 0.000 0.715 27 K HN -0.022 nan 8.250 nan 0.000 0.439 28 R N 0.611 121.150 120.500 0.066 0.000 2.061 28 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 28 R C 1.379 177.661 176.300 -0.030 0.000 1.140 28 R CA 2.169 58.285 56.100 0.026 0.000 0.940 28 R CB -0.309 30.002 30.300 0.018 0.000 0.839 28 R HN 0.266 nan 8.270 nan 0.000 0.429 29 D N -0.859 119.504 120.400 -0.061 0.000 2.264 29 D HA -0.072 4.567 4.640 -0.000 0.000 0.208 29 D C 1.569 177.729 176.300 -0.234 0.000 0.966 29 D CA 1.358 55.290 54.000 -0.113 0.000 0.864 29 D CB -0.067 40.679 40.800 -0.089 0.000 0.933 29 D HN 0.563 nan 8.370 nan 0.000 0.499 30 G N -0.756 107.814 108.800 -0.383 0.000 2.510 30 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.212 30 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.212 30 G C 0.858 175.036 174.900 -1.204 0.000 1.151 30 G CA 0.024 44.558 45.100 -0.943 0.000 0.817 30 G HN 0.235 nan 8.290 nan 0.000 0.534 31 F N -0.545 119.391 119.950 -0.023 0.000 2.915 31 F HA 0.399 4.926 4.527 -0.000 0.000 0.347 31 F C 1.786 177.567 175.800 -0.031 0.000 1.104 31 F CA -0.508 57.476 58.000 -0.026 0.000 1.126 31 F CB 0.574 39.561 39.000 -0.022 0.000 1.145 31 F HN 0.032 nan 8.300 nan 0.000 0.541 32 E N 1.018 121.274 120.200 0.093 0.000 2.385 32 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 32 E C 0.005 176.597 176.600 -0.013 0.000 1.013 32 E CA 0.242 56.670 56.400 0.048 0.000 0.866 32 E CB -0.067 29.658 29.700 0.041 0.000 0.832 32 E HN 0.309 nan 8.360 nan 0.000 0.500 33 E N 1.552 121.722 120.200 -0.049 0.000 2.199 33 E HA -0.250 4.100 4.350 -0.000 0.000 0.208 33 E C -0.243 176.270 176.600 -0.144 0.000 1.310 33 E CA 0.500 56.840 56.400 -0.101 0.000 0.709 33 E CB -1.228 28.414 29.700 -0.097 0.000 1.127 33 E HN 0.214 nan 8.360 nan 0.000 0.354 34 K N 0.559 120.899 120.400 -0.100 0.000 2.098 34 K HA 0.264 4.584 4.320 -0.000 0.000 0.261 34 K C -0.412 176.133 176.600 -0.092 0.000 0.987 34 K CA -0.643 55.597 56.287 -0.079 0.000 0.916 34 K CB 0.636 33.142 32.500 0.009 0.000 1.039 34 K HN -0.027 nan 8.250 nan 0.000 0.455 35 Y N 2.119 122.419 120.300 0.000 0.000 2.683 35 Y HA 0.045 4.595 4.550 -0.000 0.000 0.340 35 Y C -1.739 174.162 175.900 0.002 0.000 1.245 35 Y CA -1.077 57.023 58.100 0.000 0.000 1.485 35 Y CB -0.078 38.385 38.460 0.006 0.000 1.328 35 Y HN 0.597 nan 8.280 nan 0.000 0.603 36 P HA -0.059 nan 4.420 nan 0.000 0.267 36 P C 0.220 177.577 177.300 0.094 0.000 1.200 36 P CA -0.009 63.147 63.100 0.093 0.000 0.772 36 P CB 0.740 32.484 31.700 0.075 0.000 0.855 37 Q N 2.145 121.983 119.800 0.065 0.000 2.181 37 Q HA -0.220 4.120 4.340 -0.000 0.000 0.205 37 Q C 1.153 177.188 176.000 0.058 0.000 0.980 37 Q CA 1.912 57.751 55.803 0.060 0.000 0.862 37 Q CB -0.665 28.101 28.738 0.045 0.000 0.905 37 Q HN 0.412 nan 8.270 nan 0.000 0.429 38 D N -0.522 119.907 120.400 0.049 0.000 2.117 38 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 38 D C 1.602 177.926 176.300 0.040 0.000 0.987 38 D CA 0.908 54.931 54.000 0.039 0.000 0.829 38 D CB 0.087 40.904 40.800 0.029 0.000 0.961 38 D HN 0.128 nan 8.370 nan 0.000 0.460 39 K N 1.046 121.474 120.400 0.046 0.000 2.026 39 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 39 K C 2.364 178.973 176.600 0.015 0.000 1.048 39 K CA 0.414 56.713 56.287 0.021 0.000 0.929 39 K CB -0.627 31.902 32.500 0.049 0.000 0.713 39 K HN 0.241 nan 8.250 nan 0.000 0.439 40 I N 1.418 122.019 120.570 0.052 0.000 2.127 40 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 40 I C 1.792 177.984 176.117 0.125 0.000 1.075 40 I CA 1.459 62.804 61.300 0.074 0.000 1.334 40 I CB -0.361 37.692 38.000 0.089 0.000 1.040 40 I HN 0.156 nan 8.210 nan 0.000 0.405 41 D N 0.397 120.864 120.400 0.113 0.000 2.149 41 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 41 D C 1.997 178.381 176.300 0.141 0.000 0.990 41 D CA 1.247 55.331 54.000 0.140 0.000 0.839 41 D CB -0.269 40.577 40.800 0.077 0.000 0.948 41 D HN 0.473 nan 8.370 nan 0.000 0.460 42 E N 0.654 120.898 120.200 0.074 0.000 2.072 42 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 42 E C 2.085 178.715 176.600 0.050 0.000 0.985 42 E CA 0.670 57.092 56.400 0.037 0.000 0.801 42 E CB 0.248 29.943 29.700 -0.008 0.000 0.750 42 E HN 0.015 nan 8.360 nan 0.000 0.452 43 V N 0.894 120.842 119.914 0.057 0.000 2.453 43 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 43 V C 2.066 178.224 176.094 0.107 0.000 1.048 43 V CA 1.619 63.980 62.300 0.100 0.000 1.049 43 V CB -0.647 31.205 31.823 0.049 0.000 0.672 43 V HN 0.337 nan 8.190 nan 0.000 0.457 44 F N 0.876 120.831 119.950 0.008 0.000 2.095 44 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 44 F C 2.582 178.290 175.800 -0.153 0.000 1.104 44 F CA 1.962 59.935 58.000 -0.044 0.000 1.232 44 F CB -0.345 38.676 39.000 0.034 0.000 0.987 44 F HN 0.057 nan 8.300 nan 0.000 0.475 45 Q N -0.380 119.323 119.800 -0.162 0.000 2.061 45 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 45 Q C 2.062 177.864 176.000 -0.331 0.000 0.984 45 Q CA 2.159 57.797 55.803 -0.274 0.000 0.846 45 Q CB -1.280 27.421 28.738 -0.061 0.000 0.902 45 Q HN 0.720 nan 8.270 nan 0.000 0.421 46 W N 1.596 122.679 121.300 -0.361 0.000 2.335 46 W HA -0.221 4.439 4.660 -0.000 0.000 0.311 46 W C 2.211 178.409 176.519 -0.535 0.000 1.213 46 W CA 2.959 60.112 57.345 -0.321 0.000 1.274 46 W CB -0.790 28.552 29.460 -0.196 0.000 1.148 46 W HN 0.267 nan 8.180 nan 0.000 0.498 47 T N -2.702 111.300 114.554 -0.920 0.000 3.025 47 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 47 T C 1.474 175.420 174.700 -1.257 0.000 1.126 47 T CA 1.787 62.891 62.100 -1.659 0.000 1.105 47 T CB -0.996 67.147 68.868 -1.208 0.000 0.884 47 T HN 0.303 nan 8.240 nan 0.000 0.522 48 T N -0.576 113.307 114.554 -1.118 0.000 3.040 48 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 48 T C 1.027 175.372 174.700 -0.591 0.000 1.058 48 T CA 0.207 61.608 62.100 -1.164 0.000 0.988 48 T CB -0.357 67.590 68.868 -1.534 0.000 0.993 48 T HN 0.625 nan 8.240 nan 0.000 0.519 49 T N -0.251 114.035 114.554 -0.447 0.000 2.788 49 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 49 T C 1.012 175.626 174.700 -0.143 0.000 0.984 49 T CA -0.806 61.155 62.100 -0.233 0.000 0.972 49 T CB 1.331 70.113 68.868 -0.143 0.000 1.039 49 T HN 0.072 nan 8.240 nan 0.000 0.530 50 K N 0.061 120.414 120.400 -0.078 0.000 2.167 50 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 50 K C 2.220 178.797 176.600 -0.038 0.000 1.052 50 K CA 1.058 57.315 56.287 -0.049 0.000 0.956 50 K CB -0.075 32.407 32.500 -0.030 0.000 0.735 50 K HN 0.603 nan 8.250 nan 0.000 0.451 51 E N 0.403 120.593 120.200 -0.018 0.000 2.051 51 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 51 E C 1.738 178.315 176.600 -0.038 0.000 0.991 51 E CA 1.263 57.679 56.400 0.025 0.000 0.799 51 E CB -0.456 29.323 29.700 0.132 0.000 0.748 51 E HN 0.312 nan 8.360 nan 0.000 0.449 52 Y N 1.460 121.545 120.300 -0.359 0.000 2.181 52 Y HA -0.281 4.269 4.550 -0.000 0.000 0.288 52 Y C 2.500 178.223 175.900 -0.295 0.000 1.146 52 Y CA 2.159 59.895 58.100 -0.606 0.000 1.164 52 Y CB -0.143 37.682 38.460 -1.059 0.000 0.982 52 Y HN 0.087 nan 8.280 nan 0.000 0.515 53 Q N 0.239 119.992 119.800 -0.079 0.000 2.096 53 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 53 Q C 1.945 177.985 176.000 0.068 0.000 0.982 53 Q CA 2.271 58.081 55.803 0.011 0.000 0.850 53 Q CB -0.160 28.587 28.738 0.016 0.000 0.901 53 Q HN 0.651 nan 8.270 nan 0.000 0.422 54 E N 0.075 120.270 120.200 -0.008 0.000 2.106 54 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 54 E C 2.099 178.711 176.600 0.020 0.000 0.984 54 E CA 1.154 57.569 56.400 0.025 0.000 0.806 54 E CB -0.033 29.669 29.700 0.003 0.000 0.750 54 E HN 0.406 nan 8.360 nan 0.000 0.458 55 L N 1.049 122.221 121.223 -0.085 0.000 2.027 55 L HA -0.180 4.159 4.340 -0.000 0.000 0.206 55 L C 2.448 179.231 176.870 -0.145 0.000 1.074 55 L CA 0.860 55.632 54.840 -0.114 0.000 0.745 55 L CB -0.523 41.423 42.059 -0.188 0.000 0.898 55 L HN 0.168 nan 8.230 nan 0.000 0.433 56 N N 0.702 119.240 118.700 -0.271 0.000 2.061 56 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 56 N C 1.533 177.005 175.510 -0.063 0.000 1.030 56 N CA 1.777 54.678 53.050 -0.247 0.000 0.856 56 N CB -0.272 38.035 38.487 -0.300 0.000 1.023 56 N HN 0.164 nan 8.380 nan 0.000 0.424 57 F N 0.621 120.583 119.950 0.019 0.000 2.802 57 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 57 F C 2.002 177.834 175.800 0.052 0.000 1.168 57 F CA 0.387 58.440 58.000 0.089 0.000 1.433 57 F CB 0.085 39.092 39.000 0.011 0.000 1.115 57 F HN 0.176 nan 8.300 nan 0.000 0.582 58 Q N -0.600 119.278 119.800 0.130 0.000 2.356 58 Q HA 0.099 4.438 4.340 -0.000 0.000 0.205 58 Q C 0.593 176.621 176.000 0.047 0.000 0.901 58 Q CA -0.148 55.703 55.803 0.080 0.000 0.938 58 Q CB 0.337 29.104 28.738 0.049 0.000 1.081 58 Q HN 0.231 nan 8.270 nan 0.000 0.517 59 R N 0.769 121.290 120.500 0.035 0.000 2.638 59 R HA -0.082 4.258 4.340 -0.000 0.000 0.268 59 R C 0.531 176.849 176.300 0.031 0.000 1.006 59 R CA 0.824 56.931 56.100 0.011 0.000 1.088 59 R CB 0.354 30.643 30.300 -0.018 0.000 0.950 59 R HN 0.293 nan 8.270 nan 0.000 0.419 60 E N 0.617 120.828 120.200 0.018 0.000 2.505 60 E HA 0.075 4.425 4.350 -0.000 0.000 0.212 60 E C 0.720 177.331 176.600 0.018 0.000 0.825 60 E CA 0.380 56.795 56.400 0.024 0.000 1.333 60 E CB 0.884 30.597 29.700 0.022 0.000 1.319 60 E HN 0.658 nan 8.360 nan 0.000 0.658 61 A N 0.633 123.455 122.820 0.004 0.000 2.127 61 A HA 0.252 4.572 4.320 -0.000 0.000 0.204 61 A C 0.584 178.160 177.584 -0.013 0.000 1.243 61 A CA -0.158 51.878 52.037 -0.002 0.000 0.887 61 A CB 0.400 19.395 19.000 -0.008 0.000 0.933 61 A HN 0.118 nan 8.150 nan 0.000 0.479 62 L N 0.899 122.104 121.223 -0.031 0.000 2.325 62 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 62 L C -0.764 176.069 176.870 -0.061 0.000 1.054 62 L CA 0.456 55.261 54.840 -0.058 0.000 0.804 62 L CB 1.760 43.764 42.059 -0.092 0.000 1.200 62 L HN 0.051 nan 8.230 nan 0.000 0.436 63 T N 4.208 118.725 114.554 -0.062 0.000 2.824 63 T HA 0.645 4.995 4.350 -0.000 0.000 0.282 63 T C -1.031 173.603 174.700 -0.109 0.000 0.993 63 T CA -0.396 61.672 62.100 -0.053 0.000 0.967 63 T CB 1.553 70.440 68.868 0.031 0.000 0.960 63 T HN 0.367 nan 8.240 nan 0.000 0.441 64 V N 4.468 124.295 119.914 -0.145 0.000 2.444 64 V HA 0.397 4.517 4.120 -0.000 0.000 0.294 64 V C -0.335 175.704 176.094 -0.092 0.000 1.022 64 V CA -1.197 60.997 62.300 -0.176 0.000 0.850 64 V CB 1.362 32.990 31.823 -0.326 0.000 0.992 64 V HN 1.000 nan 8.190 nan 0.000 0.426 65 N N 3.177 121.818 118.700 -0.099 0.000 2.642 65 N HA -0.119 4.621 4.740 -0.000 0.000 0.269 65 N C -2.239 173.206 175.510 -0.108 0.000 1.073 65 N CA 0.442 53.432 53.050 -0.099 0.000 0.748 65 N CB -0.902 37.578 38.487 -0.011 0.000 0.894 65 N HN 0.510 nan 8.380 nan 0.000 0.548 66 P HA 0.199 nan 4.420 nan 0.000 0.272 66 P C -0.395 176.934 177.300 0.048 0.000 1.240 66 P CA -0.235 62.935 63.100 0.118 0.000 0.791 66 P CB 0.799 32.600 31.700 0.168 0.000 0.978 67 A N 2.048 125.042 122.820 0.290 0.000 3.219 67 A HA 0.443 4.763 4.320 -0.000 0.000 0.314 67 A C 0.236 177.940 177.584 0.200 0.000 1.081 67 A CA -0.283 51.868 52.037 0.191 0.000 0.995 67 A CB -0.453 18.662 19.000 0.192 0.000 1.067 67 A HN 0.617 nan 8.150 nan 0.000 0.533 68 K N -1.382 119.054 120.400 0.061 0.000 2.642 68 K HA 0.790 5.110 4.320 -0.000 0.000 0.290 68 K C -0.800 175.752 176.600 -0.080 0.000 1.006 68 K CA -0.465 55.835 56.287 0.021 0.000 0.869 68 K CB 0.922 33.389 32.500 -0.054 0.000 1.499 68 K HN 0.586 nan 8.250 nan 0.000 0.403 69 A N 0.258 123.023 122.820 -0.091 0.000 2.414 69 A HA 0.783 5.103 4.320 -0.000 0.000 0.278 69 A C -0.428 177.173 177.584 0.028 0.000 1.228 69 A CA -0.454 51.513 52.037 -0.117 0.000 0.857 69 A CB 0.704 19.552 19.000 -0.254 0.000 1.389 69 A HN 1.147 nan 8.150 nan 0.000 0.452 70 C N -1.133 118.175 119.300 0.013 0.000 2.382 70 C HA 0.506 4.966 4.460 -0.000 0.000 0.363 70 C C 1.467 176.475 174.990 0.030 0.000 1.213 70 C CA -0.341 58.699 59.018 0.037 0.000 2.363 70 C CB 0.310 28.093 27.740 0.072 0.000 2.397 70 C HN 0.935 nan 8.230 nan 0.000 0.573 71 Q N 1.957 121.756 119.800 -0.001 0.000 2.082 71 Q HA -0.178 4.162 4.340 -0.000 0.000 0.211 71 Q C -0.289 175.693 176.000 -0.031 0.000 1.002 71 Q CA 2.644 58.440 55.803 -0.012 0.000 0.868 71 Q CB -1.360 27.357 28.738 -0.035 0.000 0.931 71 Q HN 0.755 nan 8.270 nan 0.000 0.414 72 P HA -0.189 nan 4.420 nan 0.000 0.218 72 P C 1.486 178.478 177.300 -0.513 0.000 1.146 72 P CA 1.012 63.977 63.100 -0.224 0.000 0.813 72 P CB -0.117 31.527 31.700 -0.094 0.000 0.778 73 L N 0.449 121.311 121.223 -0.603 0.000 2.012 73 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 73 L C 2.586 179.601 176.870 0.241 0.000 1.073 73 L CA 2.538 57.158 54.840 -0.366 0.000 0.748 73 L CB -1.550 40.446 42.059 -0.105 0.000 0.891 73 L HN -0.029 nan 8.230 nan 0.000 0.431 74 G N -1.340 107.644 108.800 0.307 0.000 2.418 74 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 74 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 74 G C 1.616 176.731 174.900 0.357 0.000 1.158 74 G CA 0.799 46.243 45.100 0.573 0.000 0.771 74 G HN 0.636 nan 8.290 nan 0.000 0.545 75 A N 0.194 123.092 122.820 0.131 0.000 1.908 75 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 75 A C 2.616 180.218 177.584 0.030 0.000 1.181 75 A CA 1.948 53.997 52.037 0.020 0.000 0.627 75 A CB -0.741 18.258 19.000 -0.001 0.000 0.818 75 A HN 0.278 nan 8.150 nan 0.000 0.445 76 V N -0.365 119.601 119.914 0.086 0.000 2.332 76 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 76 V C 2.498 178.666 176.094 0.123 0.000 1.055 76 V CA 2.032 64.416 62.300 0.140 0.000 1.038 76 V CB -0.769 31.192 31.823 0.231 0.000 0.651 76 V HN 0.596 nan 8.190 nan 0.000 0.450 77 L N -0.230 121.098 121.223 0.176 0.000 2.093 77 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 77 L C 2.422 179.324 176.870 0.054 0.000 1.085 77 L CA 2.197 57.050 54.840 0.021 0.000 0.755 77 L CB -0.870 41.211 42.059 0.037 0.000 0.904 77 L HN 0.480 nan 8.230 nan 0.000 0.435 78 C N -0.678 118.582 119.300 -0.068 0.000 2.453 78 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 78 C C 3.000 177.991 174.990 0.002 0.000 1.262 78 C CA 0.843 59.633 59.018 -0.379 0.000 1.718 78 C CB -1.312 25.764 27.740 -1.107 0.000 2.031 78 C HN 0.675 nan 8.230 nan 0.000 0.480 79 A N 0.440 123.282 122.820 0.036 0.000 1.908 79 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 79 A C 2.162 179.865 177.584 0.198 0.000 1.181 79 A CA 1.805 53.933 52.037 0.152 0.000 0.627 79 A CB -0.826 18.209 19.000 0.058 0.000 0.818 79 A HN 0.689 nan 8.150 nan 0.000 0.445 80 L N -0.533 120.738 121.223 0.080 0.000 2.261 80 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 80 L C 2.416 179.270 176.870 -0.026 0.000 1.114 80 L CA 0.780 55.635 54.840 0.025 0.000 0.777 80 L CB -0.492 41.523 42.059 -0.074 0.000 0.910 80 L HN 0.512 nan 8.230 nan 0.000 0.440 81 G N -1.049 107.713 108.800 -0.063 0.000 2.848 81 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 81 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 81 G C 0.145 174.791 174.900 -0.424 0.000 1.152 81 G CA -0.222 44.719 45.100 -0.265 0.000 0.789 81 G HN 0.089 nan 8.290 nan 0.000 0.531 82 F N -0.176 119.738 119.950 -0.059 0.000 2.480 82 F HA 0.357 4.884 4.527 -0.000 0.000 0.329 82 F C 0.530 176.281 175.800 -0.082 0.000 1.091 82 F CA -1.459 56.498 58.000 -0.071 0.000 0.972 82 F CB 1.563 40.515 39.000 -0.080 0.000 1.150 82 F HN -0.055 nan 8.300 nan 0.000 0.467 83 E N 3.249 123.481 120.200 0.053 0.000 2.585 83 E HA -0.062 4.288 4.350 -0.000 0.000 0.252 83 E C -0.014 176.529 176.600 -0.095 0.000 0.981 83 E CA 0.234 56.618 56.400 -0.027 0.000 0.943 83 E CB 0.187 29.857 29.700 -0.051 0.000 0.923 83 E HN 0.605 nan 8.360 nan 0.000 0.486 84 K N 2.292 122.581 120.400 -0.184 0.000 3.156 84 K HA -0.180 4.140 4.320 -0.000 0.000 0.266 84 K C -1.087 175.224 176.600 -0.482 0.000 0.966 84 K CA 0.962 56.884 56.287 -0.609 0.000 0.719 84 K CB -1.142 31.043 32.500 -0.526 0.000 1.333 84 K HN 0.477 nan 8.250 nan 0.000 0.468 85 T N 0.850 115.314 114.554 -0.150 0.000 2.824 85 T HA 0.474 4.824 4.350 -0.000 0.000 0.280 85 T C -0.319 174.479 174.700 0.163 0.000 0.995 85 T CA -0.688 61.407 62.100 -0.007 0.000 1.009 85 T CB 1.238 70.144 68.868 0.063 0.000 0.955 85 T HN 0.202 nan 8.240 nan 0.000 0.452 86 M N 5.200 124.911 119.600 0.185 0.000 2.101 86 M HA 0.446 4.926 4.480 -0.000 0.000 0.340 86 M C -2.764 173.662 176.300 0.209 0.000 1.057 86 M CA -2.589 52.871 55.300 0.266 0.000 0.984 86 M CB 1.073 33.863 32.600 0.317 0.000 1.560 86 M HN 0.117 nan 8.290 nan 0.000 0.435 87 P HA 0.114 nan 4.420 nan 0.000 0.271 87 P C -2.025 175.419 177.300 0.240 0.000 1.226 87 P CA 0.240 63.448 63.100 0.179 0.000 0.765 87 P CB 0.070 31.866 31.700 0.160 0.000 0.835 88 Y N 4.250 124.612 120.300 0.103 0.000 2.326 88 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 88 Y C -1.191 174.793 175.900 0.139 0.000 0.973 88 Y CA -1.050 57.123 58.100 0.121 0.000 1.162 88 Y CB 1.338 39.865 38.460 0.112 0.000 1.147 88 Y HN 0.041 nan 8.280 nan 0.000 0.456 89 V N 6.597 126.610 119.914 0.165 0.000 2.311 89 V HA 0.144 4.264 4.120 -0.000 0.000 0.275 89 V C -0.394 175.812 176.094 0.186 0.000 1.022 89 V CA -0.749 61.691 62.300 0.234 0.000 0.830 89 V CB 0.278 32.260 31.823 0.266 0.000 1.012 89 V HN 0.775 nan 8.190 nan 0.000 0.452 90 H N 4.028 123.259 119.070 0.268 0.000 2.955 90 H HA 0.591 5.147 4.556 -0.000 0.000 0.290 90 H C 0.437 175.864 175.328 0.166 0.000 1.047 90 H CA 1.275 57.479 56.048 0.260 0.000 1.484 90 H CB 0.304 30.242 29.762 0.293 0.000 1.501 90 H HN 0.958 nan 8.280 nan 0.000 0.521 91 G N 2.419 111.077 108.800 -0.237 0.000 2.356 91 G HA2 0.098 4.058 3.960 -0.000 0.000 0.266 91 G HA3 0.098 4.058 3.960 -0.000 0.000 0.266 91 G C -0.957 173.878 174.900 -0.108 0.000 1.312 91 G CA -0.455 44.535 45.100 -0.183 0.000 0.922 91 G HN 0.838 nan 8.290 nan 0.000 0.480 92 S N -0.178 115.482 115.700 -0.065 0.000 2.580 92 S HA 0.376 4.846 4.470 -0.000 0.000 0.274 92 S C 1.429 175.975 174.600 -0.089 0.000 1.329 92 S CA 0.591 58.752 58.200 -0.066 0.000 1.036 92 S CB 1.544 64.714 63.200 -0.050 0.000 0.919 92 S HN 1.072 nan 8.310 nan 0.000 0.515 93 Q N 1.982 121.722 119.800 -0.099 0.000 2.230 93 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 93 Q C 1.923 177.813 176.000 -0.184 0.000 0.963 93 Q CA 1.153 56.881 55.803 -0.125 0.000 0.866 93 Q CB -1.006 27.670 28.738 -0.103 0.000 0.931 93 Q HN 0.860 nan 8.270 nan 0.000 0.452 94 G N 1.330 110.017 108.800 -0.189 0.000 2.469 94 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 94 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 94 G C 1.400 176.073 174.900 -0.377 0.000 1.136 94 G CA 1.113 46.044 45.100 -0.281 0.000 0.759 94 G HN 0.501 nan 8.290 nan 0.000 0.562 95 C N -0.128 118.971 119.300 -0.334 0.000 2.436 95 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 95 C C 3.030 177.415 174.990 -1.008 0.000 1.241 95 C CA 0.759 59.395 59.018 -0.636 0.000 1.721 95 C CB -1.071 26.384 27.740 -0.476 0.000 2.043 95 C HN 0.300 nan 8.230 nan 0.000 0.472 96 V N 1.621 121.233 119.914 -0.504 0.000 2.490 96 V HA -0.195 3.924 4.120 -0.000 0.000 0.250 96 V C 2.688 178.695 176.094 -0.145 0.000 1.061 96 V CA 2.074 64.257 62.300 -0.196 0.000 1.064 96 V CB -1.308 30.500 31.823 -0.025 0.000 0.670 96 V HN 0.619 nan 8.190 nan 0.000 0.461 97 A N -1.101 121.575 122.820 -0.240 0.000 1.930 97 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 97 A C 2.059 179.556 177.584 -0.146 0.000 1.175 97 A CA 1.646 53.558 52.037 -0.209 0.000 0.627 97 A CB -0.570 18.231 19.000 -0.332 0.000 0.815 97 A HN 0.543 nan 8.150 nan 0.000 0.443 98 Y N -1.378 118.803 120.300 -0.199 0.000 2.269 98 Y HA 0.008 4.558 4.550 -0.000 0.000 0.294 98 Y C 2.085 178.004 175.900 0.032 0.000 1.120 98 Y CA 0.322 58.345 58.100 -0.128 0.000 1.159 98 Y CB -0.800 37.528 38.460 -0.221 0.000 1.024 98 Y HN 0.321 nan 8.280 nan 0.000 0.532 99 F N 0.200 120.264 119.950 0.191 0.000 2.126 99 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 99 F C 2.305 178.250 175.800 0.242 0.000 1.096 99 F CA 1.079 59.166 58.000 0.145 0.000 1.255 99 F CB -1.198 37.913 39.000 0.186 0.000 0.997 99 F HN -0.044 nan 8.300 nan 0.000 0.479 100 R N 0.415 121.172 120.500 0.429 0.000 2.070 100 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 100 R C 2.431 178.932 176.300 0.335 0.000 1.137 100 R CA 1.907 58.229 56.100 0.371 0.000 0.945 100 R CB -0.950 29.481 30.300 0.218 0.000 0.845 100 R HN 0.375 nan 8.270 nan 0.000 0.430 101 S N 0.020 115.869 115.700 0.248 0.000 2.423 101 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 101 S C 1.873 176.612 174.600 0.232 0.000 1.014 101 S CA 0.794 59.111 58.200 0.195 0.000 0.965 101 S CB -0.524 62.758 63.200 0.137 0.000 0.785 101 S HN 0.317 nan 8.310 nan 0.000 0.495 102 Y N 1.636 122.023 120.300 0.145 0.000 2.145 102 Y HA -0.013 4.537 4.550 -0.000 0.000 0.286 102 Y C 1.843 177.931 175.900 0.313 0.000 1.145 102 Y CA 0.941 59.117 58.100 0.127 0.000 1.148 102 Y CB -0.629 37.859 38.460 0.046 0.000 0.981 102 Y HN 0.232 nan 8.280 nan 0.000 0.507 103 F N 0.041 120.298 119.950 0.512 0.000 2.259 103 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 103 F C 2.095 178.138 175.800 0.405 0.000 1.088 103 F CA 1.322 59.638 58.000 0.527 0.000 1.358 103 F CB -1.220 38.111 39.000 0.551 0.000 1.040 103 F HN 0.120 nan 8.300 nan 0.000 0.505 104 N N -0.015 118.950 118.700 0.442 0.000 2.104 104 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 104 N C 1.785 177.391 175.510 0.159 0.000 1.024 104 N CA 1.088 54.290 53.050 0.253 0.000 0.853 104 N CB -0.135 38.442 38.487 0.150 0.000 1.008 104 N HN 0.227 nan 8.380 nan 0.000 0.424 105 R N -0.762 119.797 120.500 0.099 0.000 2.148 105 R HA -0.085 4.255 4.340 -0.000 0.000 0.223 105 R C 1.814 178.253 176.300 0.231 0.000 1.088 105 R CA 0.882 56.972 56.100 -0.017 0.000 0.985 105 R CB -0.132 29.836 30.300 -0.553 0.000 0.880 105 R HN 0.409 nan 8.270 nan 0.000 0.451 106 H N -0.699 118.502 119.070 0.219 0.000 2.399 106 H HA 0.040 4.596 4.556 -0.000 0.000 0.300 106 H C 1.049 176.153 175.328 -0.373 0.000 1.048 106 H CA 1.303 57.301 56.048 -0.083 0.000 1.370 106 H CB 0.168 29.802 29.762 -0.213 0.000 1.428 106 H HN 0.025 nan 8.280 nan 0.000 0.534 107 F N 0.261 120.127 119.950 -0.140 0.000 2.698 107 F HA 0.274 4.801 4.527 -0.000 0.000 0.295 107 F C 0.807 176.366 175.800 -0.403 0.000 1.124 107 F CA 0.302 57.966 58.000 -0.560 0.000 1.426 107 F CB 0.157 39.033 39.000 -0.207 0.000 1.120 107 F HN -0.035 nan 8.300 nan 0.000 0.583 108 R N 1.102 121.597 120.500 -0.009 0.000 3.416 108 R HA -0.178 4.161 4.340 -0.000 0.000 0.263 108 R C -0.706 175.640 176.300 0.076 0.000 1.053 108 R CA 0.497 56.605 56.100 0.012 0.000 0.705 108 R CB -1.741 28.539 30.300 -0.034 0.000 1.124 108 R HN 0.247 nan 8.270 nan 0.000 0.444 109 E N -0.789 119.478 120.200 0.113 0.000 2.445 109 E HA 0.455 4.805 4.350 -0.000 0.000 0.273 109 E C -2.563 174.097 176.600 0.099 0.000 0.961 109 E CA -2.222 54.239 56.400 0.102 0.000 0.807 109 E CB 1.533 31.284 29.700 0.085 0.000 1.362 109 E HN -0.159 nan 8.360 nan 0.000 0.453 110 P HA 0.243 nan 4.420 nan 0.000 0.278 110 P C -0.915 176.448 177.300 0.104 0.000 1.238 110 P CA -0.358 62.796 63.100 0.090 0.000 0.794 110 P CB 0.699 32.486 31.700 0.144 0.000 0.955 111 V N 2.489 122.472 119.914 0.116 0.000 2.447 111 V HA 0.217 4.337 4.120 -0.000 0.000 0.292 111 V C -0.270 175.891 176.094 0.111 0.000 1.021 111 V CA -0.407 61.968 62.300 0.125 0.000 0.850 111 V CB 1.598 33.565 31.823 0.238 0.000 1.005 111 V HN 0.431 nan 8.190 nan 0.000 0.426 112 S N 3.792 119.535 115.700 0.071 0.000 2.411 112 S HA 0.511 4.981 4.470 -0.000 0.000 0.294 112 S C -0.342 174.288 174.600 0.050 0.000 1.115 112 S CA -0.346 57.868 58.200 0.024 0.000 1.071 112 S CB 0.907 64.077 63.200 -0.050 0.000 0.967 112 S HN 0.859 nan 8.310 nan 0.000 0.488 113 C N 4.345 123.671 119.300 0.044 0.000 2.888 113 C HA 0.794 5.254 4.460 -0.000 0.000 0.308 113 C C -0.483 174.512 174.990 0.008 0.000 1.213 113 C CA -0.221 58.848 59.018 0.085 0.000 1.461 113 C CB 0.801 28.657 27.740 0.194 0.000 1.934 113 C HN 0.658 nan 8.230 nan 0.000 0.474 114 V N 3.384 123.299 119.914 0.001 0.000 2.960 114 V HA 0.867 4.987 4.120 -0.000 0.000 0.315 114 V C -0.023 175.934 176.094 -0.229 0.000 1.087 114 V CA -0.069 62.170 62.300 -0.101 0.000 0.982 114 V CB 2.338 34.119 31.823 -0.069 0.000 1.039 114 V HN 1.006 nan 8.190 nan 0.000 0.437 115 S N 0.648 116.179 115.700 -0.281 0.000 2.632 115 S HA 0.518 4.988 4.470 -0.000 0.000 0.289 115 S C -0.604 173.783 174.600 -0.355 0.000 1.115 115 S CA -0.393 57.615 58.200 -0.321 0.000 0.889 115 S CB 1.796 64.907 63.200 -0.149 0.000 1.116 115 S HN 0.922 nan 8.310 nan 0.000 0.486 116 D N 0.512 120.754 120.400 -0.262 0.000 2.463 116 D HA 0.248 4.888 4.640 -0.000 0.000 0.224 116 D C -0.138 176.152 176.300 -0.016 0.000 1.174 116 D CA -0.293 53.668 54.000 -0.064 0.000 0.829 116 D CB -0.300 40.609 40.800 0.182 0.000 0.993 116 D HN 0.342 nan 8.370 nan 0.000 0.497 117 S N 0.274 115.940 115.700 -0.057 0.000 3.231 117 S HA -0.255 4.215 4.470 -0.000 0.000 0.334 117 S C 0.159 174.744 174.600 -0.025 0.000 0.910 117 S CA 0.216 58.390 58.200 -0.043 0.000 1.342 117 S CB -1.430 61.751 63.200 -0.032 0.000 0.950 117 S HN 0.508 nan 8.310 nan 0.000 0.526 118 M N 2.458 122.034 119.600 -0.040 0.000 2.162 118 M HA 0.196 4.676 4.480 -0.000 0.000 0.356 118 M C 1.131 177.423 176.300 -0.013 0.000 1.303 118 M CA 0.012 55.299 55.300 -0.022 0.000 1.116 118 M CB 0.741 33.304 32.600 -0.060 0.000 1.632 118 M HN 0.645 nan 8.290 nan 0.000 0.469 119 T N -1.582 112.977 114.554 0.008 0.000 2.876 119 T HA 0.346 4.696 4.350 -0.000 0.000 0.277 119 T C 1.064 175.780 174.700 0.025 0.000 0.997 119 T CA -0.888 61.218 62.100 0.010 0.000 0.966 119 T CB 0.998 69.874 68.868 0.013 0.000 1.312 119 T HN 0.586 nan 8.240 nan 0.000 0.598 120 E N 1.304 121.518 120.200 0.024 0.000 2.068 120 E HA -0.250 4.100 4.350 -0.000 0.000 0.207 120 E C 1.886 178.520 176.600 0.056 0.000 1.032 120 E CA 2.282 58.699 56.400 0.028 0.000 0.839 120 E CB -0.424 29.291 29.700 0.025 0.000 0.758 120 E HN 0.883 nan 8.360 nan 0.000 0.457 121 D N -0.370 120.091 120.400 0.100 0.000 2.264 121 D HA -0.081 4.558 4.640 -0.000 0.000 0.208 121 D C 1.692 178.139 176.300 0.245 0.000 0.966 121 D CA 1.094 55.223 54.000 0.214 0.000 0.864 121 D CB -0.060 40.893 40.800 0.254 0.000 0.933 121 D HN 0.110 nan 8.370 nan 0.000 0.499 122 A N 1.151 124.054 122.820 0.138 0.000 1.968 122 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 122 A C 2.484 180.135 177.584 0.112 0.000 1.169 122 A CA 1.534 53.648 52.037 0.128 0.000 0.638 122 A CB -0.568 18.477 19.000 0.076 0.000 0.812 122 A HN 0.351 nan 8.150 nan 0.000 0.446 123 A N -0.513 122.346 122.820 0.065 0.000 1.930 123 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 123 A C 2.199 179.782 177.584 -0.002 0.000 1.175 123 A CA 1.742 53.799 52.037 0.034 0.000 0.627 123 A CB -0.728 18.279 19.000 0.011 0.000 0.815 123 A HN 0.329 nan 8.150 nan 0.000 0.443 124 V N -1.699 118.183 119.914 -0.053 0.000 2.323 124 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 124 V C 1.990 177.883 176.094 -0.334 0.000 1.041 124 V CA 1.736 63.884 62.300 -0.253 0.000 1.025 124 V CB -0.794 30.767 31.823 -0.437 0.000 0.656 124 V HN 0.569 nan 8.190 nan 0.000 0.451 125 F N 0.277 120.243 119.950 0.027 0.000 2.765 125 F HA 0.543 5.070 4.527 -0.000 0.000 0.302 125 F C 1.277 177.103 175.800 0.043 0.000 1.111 125 F CA 0.616 58.631 58.000 0.026 0.000 1.359 125 F CB -0.178 38.826 39.000 0.006 0.000 1.097 125 F HN 0.291 nan 8.300 nan 0.000 0.577 126 G N -0.081 108.839 108.800 0.201 0.000 2.663 126 G HA2 0.122 4.082 3.960 -0.000 0.000 0.686 126 G HA3 0.122 4.082 3.960 -0.000 0.000 0.686 126 G C 0.272 175.291 174.900 0.198 0.000 1.288 126 G CA -0.654 44.581 45.100 0.225 0.000 0.836 126 G HN 0.496 nan 8.290 nan 0.000 0.584 127 G N -0.879 108.106 108.800 0.308 0.000 4.433 127 G HA2 0.450 4.410 3.960 -0.000 0.000 0.304 127 G HA3 0.450 4.410 3.960 -0.000 0.000 0.304 127 G C 0.748 175.665 174.900 0.029 0.000 1.254 127 G CA 1.063 46.322 45.100 0.265 0.000 0.999 127 G HN 0.819 nan 8.290 nan 0.000 0.576 128 Q N -0.432 119.033 119.800 -0.557 0.000 2.083 128 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 128 Q C 2.364 178.069 176.000 -0.491 0.000 0.969 128 Q CA 0.906 56.050 55.803 -1.099 0.000 0.838 128 Q CB 0.089 28.047 28.738 -1.301 0.000 0.900 128 Q HN 0.340 nan 8.270 nan 0.000 0.436 129 Q N 0.680 120.297 119.800 -0.306 0.000 2.020 129 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 129 Q C 1.712 177.606 176.000 -0.176 0.000 0.982 129 Q CA 1.764 57.420 55.803 -0.245 0.000 0.838 129 Q CB -0.397 28.250 28.738 -0.151 0.000 0.899 129 Q HN 0.442 nan 8.270 nan 0.000 0.423 130 N N 0.266 118.935 118.700 -0.051 0.000 2.137 130 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 130 N C 1.549 177.116 175.510 0.094 0.000 1.017 130 N CA 1.604 54.684 53.050 0.049 0.000 0.859 130 N CB -0.285 38.278 38.487 0.127 0.000 1.002 130 N HN 0.148 nan 8.380 nan 0.000 0.428 131 M N 0.954 120.593 119.600 0.065 0.000 2.117 131 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 131 M C 1.463 177.688 176.300 -0.126 0.000 1.065 131 M CA 1.617 56.938 55.300 0.035 0.000 1.114 131 M CB -0.008 32.558 32.600 -0.056 0.000 1.361 131 M HN -0.035 nan 8.290 nan 0.000 0.408 132 K N -0.085 120.109 120.400 -0.344 0.000 1.985 132 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 132 K C 1.769 178.094 176.600 -0.459 0.000 1.047 132 K CA 1.773 57.634 56.287 -0.710 0.000 0.932 132 K CB -0.464 31.142 32.500 -1.488 0.000 0.716 132 K HN 0.383 nan 8.250 nan 0.000 0.439 133 D N -0.014 120.213 120.400 -0.289 0.000 2.117 133 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 133 D C 2.019 178.364 176.300 0.076 0.000 0.982 133 D CA 1.345 55.342 54.000 -0.005 0.000 0.828 133 D CB -0.443 40.367 40.800 0.015 0.000 0.967 133 D HN 0.372 nan 8.370 nan 0.000 0.464 134 G N 1.269 110.129 108.800 0.100 0.000 2.476 134 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 134 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 134 G C 1.826 176.915 174.900 0.314 0.000 1.164 134 G CA 0.388 45.637 45.100 0.248 0.000 0.768 134 G HN 0.241 nan 8.290 nan 0.000 0.560 135 L N -0.205 121.118 121.223 0.167 0.000 2.093 135 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 135 L C 2.977 179.882 176.870 0.058 0.000 1.085 135 L CA 1.419 56.297 54.840 0.063 0.000 0.755 135 L CB -0.408 41.603 42.059 -0.080 0.000 0.904 135 L HN 0.346 nan 8.230 nan 0.000 0.435 136 Q N 0.234 120.087 119.800 0.088 0.000 2.046 136 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 136 Q C 1.992 178.033 176.000 0.068 0.000 0.975 136 Q CA 1.640 57.491 55.803 0.080 0.000 0.836 136 Q CB 0.122 28.974 28.738 0.191 0.000 0.896 136 Q HN 0.460 nan 8.270 nan 0.000 0.428 137 N N 0.352 119.117 118.700 0.107 0.000 2.120 137 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 137 N C 1.901 177.490 175.510 0.132 0.000 1.024 137 N CA 1.294 54.404 53.050 0.101 0.000 0.852 137 N CB -0.984 37.573 38.487 0.116 0.000 1.003 137 N HN 0.342 nan 8.380 nan 0.000 0.424 138 C N 1.627 121.053 119.300 0.209 0.000 2.442 138 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 138 C C 2.661 177.790 174.990 0.233 0.000 1.237 138 C CA 0.922 60.130 59.018 0.316 0.000 1.722 138 C CB -0.912 27.053 27.740 0.376 0.000 2.056 138 C HN 0.447 nan 8.230 nan 0.000 0.469 139 K N 0.261 120.716 120.400 0.093 0.000 2.074 139 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 139 K C 2.068 178.665 176.600 -0.005 0.000 1.048 139 K CA 1.871 58.140 56.287 -0.029 0.000 0.926 139 K CB -0.353 31.957 32.500 -0.317 0.000 0.713 139 K HN 0.566 nan 8.250 nan 0.000 0.444 140 A N 0.076 122.888 122.820 -0.014 0.000 1.897 140 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 140 A C 2.101 179.651 177.584 -0.058 0.000 1.181 140 A CA 1.830 53.849 52.037 -0.030 0.000 0.620 140 A CB -0.632 18.350 19.000 -0.031 0.000 0.821 140 A HN 0.414 nan 8.150 nan 0.000 0.443 141 T N -1.598 112.894 114.554 -0.104 0.000 2.896 141 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 141 T C 1.074 175.449 174.700 -0.543 0.000 1.050 141 T CA 1.404 63.294 62.100 -0.350 0.000 1.140 141 T CB -0.301 68.266 68.868 -0.502 0.000 0.877 141 T HN 0.554 nan 8.240 nan 0.000 0.457 142 Y N 0.633 121.008 120.300 0.126 0.000 2.531 142 Y HA 0.400 4.950 4.550 -0.000 0.000 0.249 142 Y C 0.610 176.659 175.900 0.248 0.000 1.168 142 Y CA -1.073 57.134 58.100 0.180 0.000 1.226 142 Y CB -0.122 38.461 38.460 0.205 0.000 1.177 142 Y HN 0.001 nan 8.280 nan 0.000 0.527 143 K N 0.904 121.444 120.400 0.233 0.000 3.415 143 K HA -0.203 4.117 4.320 -0.000 0.000 0.271 143 K C -2.721 174.002 176.600 0.205 0.000 0.876 143 K CA 0.081 56.481 56.287 0.188 0.000 0.670 143 K CB -1.220 31.359 32.500 0.131 0.000 1.510 143 K HN 0.310 nan 8.250 nan 0.000 0.455 144 P HA 0.099 nan 4.420 nan 0.000 0.276 144 P C -0.175 177.212 177.300 0.144 0.000 1.261 144 P CA -0.263 62.859 63.100 0.037 0.000 0.800 144 P CB 0.732 32.530 31.700 0.164 0.000 1.066 145 D N -0.662 119.702 120.400 -0.059 0.000 2.367 145 D HA 0.166 4.806 4.640 -0.000 0.000 0.207 145 D C 0.702 176.772 176.300 -0.384 0.000 1.034 145 D CA 0.929 54.887 54.000 -0.070 0.000 0.861 145 D CB 0.484 41.210 40.800 -0.123 0.000 0.943 145 D HN 0.324 nan 8.370 nan 0.000 0.515 146 M N 0.313 119.727 119.600 -0.310 0.000 2.520 146 M HA 0.375 4.855 4.480 -0.000 0.000 0.280 146 M C -2.146 174.072 176.300 -0.138 0.000 1.232 146 M CA -0.512 54.511 55.300 -0.461 0.000 0.892 146 M CB 2.646 35.069 32.600 -0.296 0.000 1.728 146 M HN -0.323 nan 8.290 nan 0.000 0.475 147 I N 3.161 123.654 120.570 -0.128 0.000 2.468 147 I HA 0.521 4.691 4.170 -0.000 0.000 0.284 147 I C -0.491 175.566 176.117 -0.100 0.000 1.038 147 I CA -0.710 60.610 61.300 0.032 0.000 1.083 147 I CB 1.949 40.061 38.000 0.187 0.000 1.223 147 I HN 0.798 nan 8.210 nan 0.000 0.443 148 A N 6.999 129.781 122.820 -0.063 0.000 2.269 148 A HA 0.651 4.971 4.320 -0.000 0.000 0.302 148 A C -0.314 177.271 177.584 0.001 0.000 1.266 148 A CA -0.372 51.596 52.037 -0.115 0.000 0.894 148 A CB 0.451 19.370 19.000 -0.135 0.000 1.147 148 A HN 0.453 nan 8.150 nan 0.000 0.537 149 V N 3.456 123.359 119.914 -0.019 0.000 2.439 149 V HA 0.569 4.689 4.120 -0.000 0.000 0.282 149 V C 0.612 176.768 176.094 0.103 0.000 1.039 149 V CA 0.182 62.532 62.300 0.084 0.000 0.913 149 V CB 1.014 32.825 31.823 -0.019 0.000 0.983 149 V HN 1.090 nan 8.190 nan 0.000 0.460 150 S N 2.928 118.733 115.700 0.174 0.000 2.709 150 S HA 0.894 5.364 4.470 -0.000 0.000 0.302 150 S C -0.343 174.377 174.600 0.200 0.000 1.127 150 S CA -0.395 57.883 58.200 0.130 0.000 0.905 150 S CB 2.335 65.591 63.200 0.092 0.000 1.151 150 S HN 0.891 nan 8.310 nan 0.000 0.510 151 T N -1.729 112.928 114.554 0.171 0.000 2.916 151 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 151 T C -0.285 174.525 174.700 0.185 0.000 1.055 151 T CA -0.598 61.626 62.100 0.208 0.000 1.009 151 T CB 1.370 70.373 68.868 0.225 0.000 1.118 151 T HN 0.614 nan 8.240 nan 0.000 0.497 152 T N 0.773 115.431 114.554 0.173 0.000 2.934 152 T HA 0.311 4.661 4.350 -0.000 0.000 0.283 152 T C 1.834 176.622 174.700 0.146 0.000 1.005 152 T CA -0.427 61.772 62.100 0.166 0.000 1.041 152 T CB 0.583 69.519 68.868 0.113 0.000 1.042 152 T HN 1.028 nan 8.240 nan 0.000 0.505 153 C N 2.097 121.496 119.300 0.165 0.000 2.413 153 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 153 C C 2.622 177.752 174.990 0.234 0.000 1.265 153 C CA 0.479 59.649 59.018 0.254 0.000 1.752 153 C CB -1.503 26.448 27.740 0.351 0.000 1.998 153 C HN 0.917 nan 8.230 nan 0.000 0.489 154 M N 2.469 122.153 119.600 0.140 0.000 2.110 154 M HA -0.201 4.278 4.480 -0.000 0.000 0.257 154 M C 2.540 178.901 176.300 0.102 0.000 1.071 154 M CA 2.805 58.160 55.300 0.092 0.000 1.096 154 M CB -0.558 32.068 32.600 0.042 0.000 1.300 154 M HN 0.481 nan 8.290 nan 0.000 0.411 155 A N -0.240 122.634 122.820 0.090 0.000 2.019 155 A HA -0.149 4.170 4.320 -0.000 0.000 0.219 155 A C 1.859 179.550 177.584 0.178 0.000 1.164 155 A CA 1.637 53.746 52.037 0.120 0.000 0.644 155 A CB -0.619 18.437 19.000 0.093 0.000 0.805 155 A HN 0.621 nan 8.150 nan 0.000 0.449 156 E N -0.215 120.105 120.200 0.200 0.000 2.072 156 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 156 E C 2.258 178.999 176.600 0.235 0.000 0.982 156 E CA 1.116 57.648 56.400 0.220 0.000 0.803 156 E CB -0.555 29.271 29.700 0.209 0.000 0.755 156 E HN 0.364 nan 8.360 nan 0.000 0.453 157 V N 2.606 122.667 119.914 0.245 0.000 2.237 157 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 157 V C 2.466 178.605 176.094 0.075 0.000 1.046 157 V CA 1.936 64.314 62.300 0.130 0.000 1.007 157 V CB -0.710 31.145 31.823 0.053 0.000 0.638 157 V HN 0.371 nan 8.190 nan 0.000 0.445 158 I N -0.381 120.236 120.570 0.078 0.000 3.456 158 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 158 I C 1.324 177.482 176.117 0.068 0.000 1.307 158 I CA 0.792 62.130 61.300 0.063 0.000 1.333 158 I CB -1.194 36.849 38.000 0.072 0.000 1.032 158 I HN 0.414 nan 8.210 nan 0.000 0.506 159 G N 1.769 110.606 108.800 0.062 0.000 2.273 159 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.280 159 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.280 159 G C -0.307 174.598 174.900 0.009 0.000 1.047 159 G CA 0.378 45.492 45.100 0.023 0.000 0.869 159 G HN 0.577 nan 8.290 nan 0.000 0.502 160 D N 0.463 120.893 120.400 0.050 0.000 2.434 160 D HA 0.294 4.934 4.640 -0.000 0.000 0.252 160 D C 0.405 176.493 176.300 -0.353 0.000 1.185 160 D CA 0.162 54.114 54.000 -0.080 0.000 0.886 160 D CB 0.854 41.767 40.800 0.188 0.000 1.148 160 D HN 0.252 nan 8.370 nan 0.000 0.483 161 D N 3.638 123.565 120.400 -0.788 0.000 2.422 161 D HA 0.045 4.685 4.640 -0.000 0.000 0.227 161 D C 1.318 177.062 176.300 -0.927 0.000 1.190 161 D CA -0.277 53.354 54.000 -0.614 0.000 0.905 161 D CB 0.314 40.884 40.800 -0.384 0.000 1.034 161 D HN 0.314 nan 8.370 nan 0.000 0.507 162 L N 3.405 124.261 121.223 -0.612 0.000 1.971 162 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 162 L C 2.376 178.735 176.870 -0.852 0.000 1.072 162 L CA 1.172 55.571 54.840 -0.736 0.000 0.758 162 L CB -0.570 41.060 42.059 -0.715 0.000 0.889 162 L HN 0.549 nan 8.230 nan 0.000 0.433 163 N N 0.037 118.115 118.700 -1.037 0.000 2.061 163 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 163 N C 1.815 177.110 175.510 -0.358 0.000 1.030 163 N CA 1.589 54.131 53.050 -0.846 0.000 0.856 163 N CB 0.070 38.307 38.487 -0.416 0.000 1.023 163 N HN 0.362 nan 8.380 nan 0.000 0.424 164 A N 0.498 123.173 122.820 -0.243 0.000 1.898 164 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 164 A C 1.822 179.481 177.584 0.124 0.000 1.181 164 A CA 0.854 52.868 52.037 -0.037 0.000 0.620 164 A CB -0.712 18.301 19.000 0.022 0.000 0.819 164 A HN 0.323 nan 8.150 nan 0.000 0.442 165 F N 0.099 119.931 119.950 -0.197 0.000 2.171 165 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 165 F C 2.167 177.841 175.800 -0.210 0.000 1.090 165 F CA 0.286 58.166 58.000 -0.200 0.000 1.293 165 F CB -0.926 37.919 39.000 -0.258 0.000 1.013 165 F HN 0.139 nan 8.300 nan 0.000 0.486 166 I N -0.123 120.408 120.570 -0.065 0.000 2.233 166 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 166 I C 2.022 178.115 176.117 -0.039 0.000 1.093 166 I CA 1.235 62.472 61.300 -0.105 0.000 1.380 166 I CB -0.619 37.264 38.000 -0.196 0.000 1.067 166 I HN 0.138 nan 8.210 nan 0.000 0.413 167 N N 0.974 119.650 118.700 -0.040 0.000 2.149 167 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 167 N C 1.523 177.047 175.510 0.023 0.000 1.019 167 N CA 1.104 54.153 53.050 -0.001 0.000 0.857 167 N CB -0.140 38.343 38.487 -0.007 0.000 0.997 167 N HN 0.353 nan 8.380 nan 0.000 0.426 168 N N 0.428 119.143 118.700 0.026 0.000 2.270 168 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 168 N C 1.577 177.123 175.510 0.060 0.000 1.016 168 N CA 0.588 53.659 53.050 0.035 0.000 0.870 168 N CB -0.158 38.339 38.487 0.016 0.000 0.979 168 N HN 0.082 nan 8.380 nan 0.000 0.431 169 S N 0.954 116.671 115.700 0.027 0.000 2.382 169 S HA -0.026 4.444 4.470 -0.000 0.000 0.228 169 S C 1.804 176.513 174.600 0.181 0.000 1.027 169 S CA 1.024 59.268 58.200 0.073 0.000 0.991 169 S CB 0.151 63.329 63.200 -0.037 0.000 0.823 169 S HN 0.364 nan 8.310 nan 0.000 0.469 170 K N 1.051 121.512 120.400 0.101 0.000 2.007 170 K HA 0.047 4.367 4.320 -0.000 0.000 0.206 170 K C 2.198 178.845 176.600 0.079 0.000 1.047 170 K CA 0.794 57.135 56.287 0.090 0.000 0.937 170 K CB -0.156 32.387 32.500 0.073 0.000 0.718 170 K HN 0.156 nan 8.250 nan 0.000 0.438 171 K N 1.221 121.661 120.400 0.067 0.000 2.127 171 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 171 K C 1.622 178.254 176.600 0.053 0.000 1.047 171 K CA 1.558 57.876 56.287 0.051 0.000 0.927 171 K CB -0.039 32.487 32.500 0.044 0.000 0.716 171 K HN 0.262 nan 8.250 nan 0.000 0.450 172 E N -0.855 119.409 120.200 0.107 0.000 2.489 172 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 172 E C 0.543 177.106 176.600 -0.061 0.000 1.057 172 E CA 0.216 56.669 56.400 0.089 0.000 0.866 172 E CB 0.488 30.349 29.700 0.269 0.000 0.916 172 E HN 0.482 nan 8.360 nan 0.000 0.500 173 G N 0.761 109.546 108.800 -0.025 0.000 2.149 173 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 173 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 173 G C 0.377 175.145 174.900 -0.221 0.000 1.018 173 G CA 0.035 45.060 45.100 -0.125 0.000 0.728 173 G HN 0.304 nan 8.290 nan 0.000 0.508 174 F N 0.281 120.206 119.950 -0.042 0.000 2.512 174 F HA 0.378 4.905 4.527 -0.000 0.000 0.296 174 F C 1.681 177.431 175.800 -0.083 0.000 1.110 174 F CA 1.214 59.182 58.000 -0.053 0.000 1.446 174 F CB 0.238 39.210 39.000 -0.047 0.000 1.092 174 F HN 0.474 nan 8.300 nan 0.000 0.554 175 I N -4.312 116.300 120.570 0.069 0.000 2.841 175 I HA 0.494 4.664 4.170 -0.000 0.000 0.298 175 I C -3.038 173.078 176.117 -0.002 0.000 1.304 175 I CA -2.615 58.657 61.300 -0.046 0.000 1.019 175 I CB 1.765 39.707 38.000 -0.097 0.000 1.282 175 I HN -0.393 nan 8.210 nan 0.000 0.432 176 P HA 0.040 nan 4.420 nan 0.000 0.267 176 P C -0.079 177.284 177.300 0.106 0.000 1.201 176 P CA 0.251 63.382 63.100 0.052 0.000 0.775 176 P CB 0.622 32.367 31.700 0.074 0.000 0.854 177 D N 1.782 122.231 120.400 0.082 0.000 2.218 177 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 177 D C 1.259 177.624 176.300 0.109 0.000 0.976 177 D CA 1.042 55.093 54.000 0.084 0.000 0.853 177 D CB 0.104 40.935 40.800 0.051 0.000 0.939 177 D HN 0.385 nan 8.370 nan 0.000 0.481 178 E N -0.129 120.144 120.200 0.122 0.000 2.474 178 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 178 E C -0.127 176.577 176.600 0.173 0.000 1.039 178 E CA -0.465 56.010 56.400 0.123 0.000 0.881 178 E CB -0.998 28.756 29.700 0.090 0.000 0.970 178 E HN 0.340 nan 8.360 nan 0.000 0.486 179 F N 4.950 124.931 119.950 0.051 0.000 2.506 179 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 179 F C -1.997 173.822 175.800 0.032 0.000 1.078 179 F CA -2.717 55.305 58.000 0.038 0.000 1.195 179 F CB 0.722 39.732 39.000 0.017 0.000 1.099 179 F HN -0.182 nan 8.300 nan 0.000 0.548 180 P HA 0.009 nan 4.420 nan 0.000 0.265 180 P C -0.927 175.974 177.300 -0.664 0.000 1.222 180 P CA 0.156 62.971 63.100 -0.477 0.000 0.767 180 P CB 1.059 32.555 31.700 -0.340 0.000 0.801 181 V N 6.347 125.868 119.914 -0.654 0.000 2.384 181 V HA 0.210 4.330 4.120 -0.000 0.000 0.257 181 V C -1.792 173.952 176.094 -0.585 0.000 0.969 181 V CA -1.708 60.333 62.300 -0.432 0.000 0.910 181 V CB 1.064 32.834 31.823 -0.090 0.000 1.150 181 V HN 0.525 nan 8.190 nan 0.000 0.481 182 P HA 0.449 nan 4.420 nan 0.000 0.274 182 P C -0.868 176.308 177.300 -0.207 0.000 1.246 182 P CA 0.036 62.752 63.100 -0.641 0.000 0.795 182 P CB 1.338 32.586 31.700 -0.754 0.000 1.006 183 F N -2.059 117.723 119.950 -0.280 0.000 2.711 183 F HA 0.852 5.378 4.527 -0.000 0.000 0.313 183 F C -1.911 173.748 175.800 -0.235 0.000 1.141 183 F CA -1.480 56.373 58.000 -0.244 0.000 0.941 183 F CB 1.013 39.866 39.000 -0.245 0.000 1.349 183 F HN 0.567 nan 8.300 nan 0.000 0.464 184 A N 0.632 123.369 122.820 -0.138 0.000 2.589 184 A HA 0.587 4.907 4.320 -0.000 0.000 0.296 184 A C -2.121 175.399 177.584 -0.106 0.000 1.062 184 A CA -0.719 51.200 52.037 -0.198 0.000 0.686 184 A CB 1.051 19.944 19.000 -0.179 0.000 1.282 184 A HN 0.920 nan 8.150 nan 0.000 0.404 185 H N 1.910 121.012 119.070 0.053 0.000 2.604 185 H HA 0.445 5.001 4.556 -0.000 0.000 0.306 185 H C -0.015 175.313 175.328 0.001 0.000 1.075 185 H CA 1.083 57.162 56.048 0.052 0.000 1.357 185 H CB 1.171 30.960 29.762 0.046 0.000 1.426 185 H HN 0.673 nan 8.280 nan 0.000 0.470 186 T N 1.564 116.177 114.554 0.098 0.000 3.401 186 T HA 0.214 4.564 4.350 -0.000 0.000 0.341 186 T C -2.846 171.819 174.700 -0.058 0.000 1.674 186 T CA -1.971 60.139 62.100 0.017 0.000 1.600 186 T CB 0.796 69.677 68.868 0.022 0.000 0.974 186 T HN 0.284 nan 8.240 nan 0.000 0.672 187 P HA 0.097 nan 4.420 nan 0.000 0.264 187 P C 1.255 178.210 177.300 -0.575 0.000 1.229 187 P CA -0.007 62.759 63.100 -0.556 0.000 0.780 187 P CB 0.973 32.166 31.700 -0.845 0.000 0.808 188 S N 3.136 118.616 115.700 -0.366 0.000 2.462 188 S HA -0.202 4.268 4.470 -0.000 0.000 0.243 188 S C 1.166 175.711 174.600 -0.091 0.000 1.003 188 S CA 0.958 59.086 58.200 -0.120 0.000 0.970 188 S CB -1.293 61.950 63.200 0.071 0.000 0.762 188 S HN 0.532 nan 8.310 nan 0.000 0.510 189 F N 0.468 120.439 119.950 0.034 0.000 2.645 189 F HA 0.689 5.216 4.527 -0.000 0.000 0.300 189 F C -0.066 175.743 175.800 0.016 0.000 1.115 189 F CA -1.082 56.929 58.000 0.019 0.000 1.355 189 F CB -0.340 38.670 39.000 0.017 0.000 1.026 189 F HN -0.075 nan 8.300 nan 0.000 0.536 190 V N 0.587 120.429 119.914 -0.120 0.000 2.638 190 V HA 0.770 4.890 4.120 -0.000 0.000 0.306 190 V C 0.685 176.746 176.094 -0.055 0.000 1.052 190 V CA -0.584 61.686 62.300 -0.049 0.000 0.885 190 V CB 0.839 32.606 31.823 -0.093 0.000 0.999 190 V HN 0.613 nan 8.190 nan 0.000 0.424 191 G N 4.660 113.446 108.800 -0.024 0.000 2.596 191 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.295 191 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.295 191 G C 0.187 175.045 174.900 -0.070 0.000 1.240 191 G CA 0.869 45.944 45.100 -0.042 0.000 0.985 191 G HN 2.030 nan 8.290 nan 0.000 0.555 192 S N -2.723 112.916 115.700 -0.101 0.000 2.757 192 S HA 0.588 5.057 4.470 -0.000 0.000 0.285 192 S C 1.043 175.558 174.600 -0.141 0.000 1.196 192 S CA 0.705 58.849 58.200 -0.093 0.000 0.856 192 S CB 0.687 63.814 63.200 -0.121 0.000 1.212 192 S HN 1.887 nan 8.310 nan 0.000 0.516 193 H N 1.021 119.987 119.070 -0.174 0.000 2.390 193 H HA -0.093 4.463 4.556 -0.000 0.000 0.298 193 H C 2.156 177.348 175.328 -0.227 0.000 1.106 193 H CA 2.287 58.216 56.048 -0.199 0.000 1.297 193 H CB -1.538 28.047 29.762 -0.295 0.000 1.375 193 H HN 0.655 nan 8.280 nan 0.000 0.509 194 V N -0.291 119.036 119.914 -0.977 0.000 2.515 194 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 194 V C 2.240 178.229 176.094 -0.174 0.000 1.058 194 V CA 1.861 63.736 62.300 -0.708 0.000 1.064 194 V CB -1.203 29.985 31.823 -1.059 0.000 0.675 194 V HN 0.388 nan 8.190 nan 0.000 0.461 195 T N 1.325 115.800 114.554 -0.132 0.000 2.821 195 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 195 T C 1.958 176.711 174.700 0.088 0.000 1.046 195 T CA 1.582 63.693 62.100 0.019 0.000 1.139 195 T CB -0.790 68.067 68.868 -0.017 0.000 0.871 195 T HN 0.682 nan 8.240 nan 0.000 0.454 196 G N -0.303 108.537 108.800 0.065 0.000 2.432 196 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 196 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 196 G C 1.307 176.313 174.900 0.177 0.000 1.135 196 G CA 0.282 45.437 45.100 0.092 0.000 0.767 196 G HN 0.559 nan 8.290 nan 0.000 0.550 197 W N 1.070 122.443 121.300 0.122 0.000 2.379 197 W HA -0.048 4.612 4.660 -0.000 0.000 0.307 197 W C 2.213 178.872 176.519 0.232 0.000 1.200 197 W CA 1.448 58.928 57.345 0.225 0.000 1.297 197 W CB 0.019 29.660 29.460 0.302 0.000 1.140 197 W HN 0.248 nan 8.180 nan 0.000 0.507 198 D N -0.092 120.664 120.400 0.592 0.000 2.104 198 D HA -0.246 4.394 4.640 -0.000 0.000 0.194 198 D C 1.771 178.223 176.300 0.252 0.000 0.994 198 D CA 1.833 56.112 54.000 0.465 0.000 0.830 198 D CB -0.480 40.520 40.800 0.335 0.000 0.959 198 D HN 0.035 nan 8.370 nan 0.000 0.452 199 N N -0.323 118.462 118.700 0.142 0.000 2.106 199 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 199 N C 1.716 177.198 175.510 -0.046 0.000 1.029 199 N CA 0.881 53.952 53.050 0.033 0.000 0.848 199 N CB -0.472 38.028 38.487 0.021 0.000 1.007 199 N HN 0.266 nan 8.380 nan 0.000 0.423 200 M N 0.069 119.637 119.600 -0.053 0.000 2.086 200 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 200 M C 1.841 178.014 176.300 -0.212 0.000 1.067 200 M CA 1.201 56.408 55.300 -0.155 0.000 1.116 200 M CB -0.637 31.861 32.600 -0.171 0.000 1.348 200 M HN 0.118 nan 8.290 nan 0.000 0.407 201 F N 0.691 120.468 119.950 -0.288 0.000 2.069 201 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 201 F C 2.396 178.105 175.800 -0.151 0.000 1.113 201 F CA 2.372 60.237 58.000 -0.225 0.000 1.214 201 F CB -0.613 38.292 39.000 -0.158 0.000 0.978 201 F HN 0.290 nan 8.300 nan 0.000 0.474 202 E N 0.302 120.473 120.200 -0.049 0.000 2.118 202 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 202 E C 2.388 178.677 176.600 -0.520 0.000 0.992 202 E CA 1.276 57.515 56.400 -0.269 0.000 0.804 202 E CB -0.762 28.851 29.700 -0.145 0.000 0.741 202 E HN 0.535 nan 8.360 nan 0.000 0.458 203 G N 1.076 109.619 108.800 -0.430 0.000 2.432 203 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 203 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 203 G C 1.700 176.300 174.900 -0.500 0.000 1.135 203 G CA 0.627 45.420 45.100 -0.512 0.000 0.767 203 G HN 0.260 nan 8.290 nan 0.000 0.550 204 I N 0.930 121.200 120.570 -0.499 0.000 2.406 204 I HA -0.021 4.149 4.170 -0.000 0.000 0.249 204 I C 3.188 179.146 176.117 -0.265 0.000 1.122 204 I CA 0.703 61.729 61.300 -0.456 0.000 1.431 204 I CB -0.079 37.510 38.000 -0.684 0.000 1.087 204 I HN 0.228 nan 8.210 nan 0.000 0.424 205 A N 1.070 123.642 122.820 -0.414 0.000 1.930 205 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 205 A C 2.375 179.930 177.584 -0.048 0.000 1.175 205 A CA 1.289 53.251 52.037 -0.125 0.000 0.627 205 A CB -0.456 18.409 19.000 -0.226 0.000 0.815 205 A HN 0.289 nan 8.150 nan 0.000 0.443 206 R N -2.144 118.068 120.500 -0.480 0.000 2.073 206 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 206 R C 2.165 178.381 176.300 -0.139 0.000 1.134 206 R CA 1.656 57.514 56.100 -0.403 0.000 0.952 206 R CB -0.641 29.308 30.300 -0.585 0.000 0.850 206 R HN 0.639 nan 8.270 nan 0.000 0.433 207 Y N 0.443 120.536 120.300 -0.346 0.000 2.151 207 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 207 Y C 1.504 177.165 175.900 -0.399 0.000 1.166 207 Y CA 1.705 59.551 58.100 -0.424 0.000 1.163 207 Y CB -0.121 37.953 38.460 -0.644 0.000 0.974 207 Y HN -0.055 nan 8.280 nan 0.000 0.511 208 F N -1.971 118.033 119.950 0.091 0.000 2.776 208 F HA 0.083 4.610 4.527 -0.000 0.000 0.300 208 F C 1.962 177.798 175.800 0.059 0.000 1.116 208 F CA 0.963 59.001 58.000 0.063 0.000 1.375 208 F CB 0.009 39.054 39.000 0.076 0.000 1.109 208 F HN -0.079 nan 8.300 nan 0.000 0.585 209 T N -1.010 113.709 114.554 0.275 0.000 3.125 209 T HA 0.051 4.401 4.350 -0.000 0.000 0.252 209 T C 1.760 176.615 174.700 0.258 0.000 0.981 209 T CA 0.036 62.327 62.100 0.319 0.000 1.069 209 T CB -0.400 68.867 68.868 0.665 0.000 1.091 209 T HN 0.021 nan 8.240 nan 0.000 0.460 210 L N 2.180 123.574 121.223 0.285 0.000 2.010 210 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 210 L C 1.748 178.672 176.870 0.091 0.000 1.077 210 L CA 2.014 56.982 54.840 0.213 0.000 0.773 210 L CB -0.372 41.784 42.059 0.162 0.000 0.892 210 L HN 0.107 nan 8.230 nan 0.000 0.436 211 K N -1.134 119.280 120.400 0.024 0.000 2.487 211 K HA 0.097 4.417 4.320 -0.000 0.000 0.192 211 K C 0.905 177.506 176.600 0.002 0.000 1.027 211 K CA 0.773 57.056 56.287 -0.006 0.000 1.054 211 K CB -0.035 32.431 32.500 -0.057 0.000 0.824 211 K HN 0.540 nan 8.250 nan 0.000 0.510 212 S N -0.592 115.122 115.700 0.022 0.000 2.809 212 S HA 0.216 4.686 4.470 -0.000 0.000 0.248 212 S C 1.018 175.627 174.600 0.015 0.000 1.071 212 S CA -0.534 57.674 58.200 0.014 0.000 1.059 212 S CB 0.239 63.447 63.200 0.013 0.000 0.923 212 S HN -0.021 nan 8.310 nan 0.000 0.516 213 M N 1.884 121.500 119.600 0.026 0.000 2.562 213 M HA 0.060 4.540 4.480 -0.000 0.000 0.257 213 M C 1.046 177.347 176.300 0.002 0.000 1.099 213 M CA 0.534 55.845 55.300 0.017 0.000 1.099 213 M CB -1.136 31.485 32.600 0.035 0.000 1.427 213 M HN 0.414 nan 8.290 nan 0.000 0.489 214 D N 1.512 121.913 120.400 0.002 0.000 2.106 214 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 214 D C 1.204 177.500 176.300 -0.006 0.000 0.997 214 D CA 1.879 55.879 54.000 -0.001 0.000 0.834 214 D CB -0.269 40.530 40.800 -0.001 0.000 0.956 214 D HN 0.538 nan 8.370 nan 0.000 0.448 215 D N 0.410 120.803 120.400 -0.011 0.000 2.355 215 D HA -0.049 4.590 4.640 -0.000 0.000 0.218 215 D C 0.410 176.698 176.300 -0.022 0.000 1.004 215 D CA 0.109 54.100 54.000 -0.015 0.000 0.880 215 D CB 0.091 40.881 40.800 -0.016 0.000 0.911 215 D HN -0.068 nan 8.370 nan 0.000 0.528 216 K N 0.349 120.733 120.400 -0.027 0.000 2.295 216 K HA 0.381 4.701 4.320 -0.000 0.000 0.270 216 K C -0.507 176.081 176.600 -0.020 0.000 1.011 216 K CA -0.292 55.973 56.287 -0.038 0.000 0.953 216 K CB 1.721 34.183 32.500 -0.064 0.000 0.956 216 K HN -0.131 nan 8.250 nan 0.000 0.477 217 V N 2.961 122.864 119.914 -0.019 0.000 2.569 217 V HA 0.209 4.329 4.120 -0.000 0.000 0.301 217 V C -0.650 175.450 176.094 0.009 0.000 1.044 217 V CA -1.184 61.114 62.300 -0.003 0.000 0.874 217 V CB 1.983 33.801 31.823 -0.009 0.000 1.002 217 V HN 0.452 nan 8.190 nan 0.000 0.424 218 V N 4.403 124.338 119.914 0.035 0.000 2.599 218 V HA 0.422 4.542 4.120 -0.000 0.000 0.300 218 V C 1.526 177.615 176.094 -0.009 0.000 1.034 218 V CA 1.674 64.005 62.300 0.051 0.000 1.115 218 V CB 0.509 32.379 31.823 0.077 0.000 0.934 218 V HN 1.381 nan 8.190 nan 0.000 0.485 219 G N 3.954 112.730 108.800 -0.040 0.000 2.179 219 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 219 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 219 G C 1.132 176.010 174.900 -0.036 0.000 0.977 219 G CA 1.014 46.083 45.100 -0.052 0.000 0.641 219 G HN 1.148 nan 8.290 nan 0.000 0.533 220 S N 0.985 116.667 115.700 -0.028 0.000 2.419 220 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 220 S C 1.811 176.392 174.600 -0.033 0.000 1.016 220 S CA 1.795 59.978 58.200 -0.028 0.000 0.974 220 S CB -0.372 62.812 63.200 -0.027 0.000 0.786 220 S HN 1.166 nan 8.310 nan 0.000 0.492 221 N N 0.931 119.609 118.700 -0.038 0.000 2.280 221 N HA 0.091 4.831 4.740 -0.000 0.000 0.192 221 N C 0.051 175.539 175.510 -0.037 0.000 1.109 221 N CA 0.066 53.092 53.050 -0.040 0.000 0.855 221 N CB -0.586 37.872 38.487 -0.049 0.000 0.974 221 N HN 0.506 nan 8.380 nan 0.000 0.482 222 K N -0.963 119.416 120.400 -0.035 0.000 3.069 222 K HA -0.233 4.087 4.320 -0.000 0.000 0.267 222 K C -0.714 175.872 176.600 -0.023 0.000 1.082 222 K CA 0.865 57.133 56.287 -0.030 0.000 0.782 222 K CB -1.680 30.805 32.500 -0.026 0.000 1.230 222 K HN 0.452 nan 8.250 nan 0.000 0.488 223 K N 0.169 120.556 120.400 -0.022 0.000 2.316 223 K HA 0.679 4.999 4.320 -0.000 0.000 0.234 223 K C -0.086 176.523 176.600 0.016 0.000 1.054 223 K CA -0.996 55.292 56.287 0.002 0.000 0.879 223 K CB 1.497 33.992 32.500 -0.009 0.000 1.252 223 K HN -0.016 nan 8.250 nan 0.000 0.471 224 I N 1.913 122.525 120.570 0.070 0.000 2.466 224 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 224 I C -0.755 175.458 176.117 0.161 0.000 1.026 224 I CA -0.988 60.361 61.300 0.083 0.000 1.078 224 I CB 1.742 39.782 38.000 0.066 0.000 1.249 224 I HN 0.459 nan 8.210 nan 0.000 0.429 225 N N 6.639 125.453 118.700 0.190 0.000 2.530 225 N HA 0.440 5.180 4.740 -0.000 0.000 0.277 225 N C -0.737 174.925 175.510 0.253 0.000 1.168 225 N CA -0.169 53.038 53.050 0.261 0.000 0.979 225 N CB 1.726 40.438 38.487 0.374 0.000 1.141 225 N HN 0.325 nan 8.380 nan 0.000 0.459 226 I N 1.869 122.593 120.570 0.258 0.000 2.447 226 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 226 I C -0.452 175.770 176.117 0.176 0.000 1.023 226 I CA -0.717 60.703 61.300 0.200 0.000 1.083 226 I CB 1.480 39.588 38.000 0.181 0.000 1.245 226 I HN 0.033 nan 8.210 nan 0.000 0.434 227 V N 8.934 128.898 119.914 0.084 0.000 2.313 227 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 227 V C -1.290 174.738 176.094 -0.109 0.000 1.017 227 V CA -1.001 61.279 62.300 -0.033 0.000 0.823 227 V CB 1.576 33.262 31.823 -0.229 0.000 1.010 227 V HN 0.572 nan 8.190 nan 0.000 0.443 228 P HA 0.077 nan 4.420 nan 0.000 0.222 228 P C 0.827 177.870 177.300 -0.428 0.000 1.153 228 P CA 1.433 64.440 63.100 -0.156 0.000 0.798 228 P CB 0.544 32.300 31.700 0.094 0.000 0.796 229 G N 0.692 108.951 108.800 -0.902 0.000 2.750 229 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.228 229 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.228 229 G C -0.820 173.270 174.900 -1.349 0.000 1.367 229 G CA -0.416 43.838 45.100 -1.411 0.000 0.871 229 G HN 0.286 nan 8.290 nan 0.000 0.560 230 F N 1.650 120.955 119.950 -1.076 0.000 2.518 230 F HA 0.498 5.025 4.527 -0.000 0.000 0.375 230 F C 0.541 176.152 175.800 -0.316 0.000 1.097 230 F CA 0.727 58.323 58.000 -0.672 0.000 1.108 230 F CB 0.574 39.311 39.000 -0.437 0.000 1.078 230 F HN 0.667 nan 8.300 nan 0.000 0.564 231 E N 3.314 123.261 120.200 -0.422 0.000 2.256 231 E HA 0.304 4.654 4.350 -0.000 0.000 0.268 231 E C -0.158 176.267 176.600 -0.292 0.000 0.877 231 E CA -0.475 55.730 56.400 -0.325 0.000 0.757 231 E CB 1.441 30.821 29.700 -0.533 0.000 1.183 231 E HN 0.467 nan 8.360 nan 0.000 0.418 232 T N 0.931 115.324 114.554 -0.268 0.000 3.182 232 T HA 0.304 4.654 4.350 -0.000 0.000 0.277 232 T C -0.485 174.195 174.700 -0.034 0.000 1.013 232 T CA -0.201 61.820 62.100 -0.131 0.000 0.900 232 T CB -0.336 68.188 68.868 -0.574 0.000 1.098 232 T HN 0.253 nan 8.240 nan 0.000 0.543 233 Y N 1.221 121.576 120.300 0.091 0.000 2.328 233 Y HA 0.529 5.079 4.550 -0.000 0.000 0.333 233 Y C 1.144 177.099 175.900 0.092 0.000 0.958 233 Y CA -2.016 56.139 58.100 0.092 0.000 1.167 233 Y CB 1.362 39.795 38.460 -0.044 0.000 1.151 233 Y HN -0.011 nan 8.280 nan 0.000 0.470 234 L N 2.016 123.475 121.223 0.393 0.000 2.127 234 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 234 L C 2.248 179.259 176.870 0.235 0.000 1.089 234 L CA 1.611 56.673 54.840 0.370 0.000 0.757 234 L CB -0.468 41.764 42.059 0.287 0.000 0.899 234 L HN 0.924 nan 8.230 nan 0.000 0.434 235 G N -0.185 108.701 108.800 0.143 0.000 2.448 235 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 235 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 235 G C 1.380 176.269 174.900 -0.019 0.000 1.127 235 G CA 0.531 45.657 45.100 0.044 0.000 0.766 235 G HN 0.335 nan 8.290 nan 0.000 0.552 236 N N 0.344 118.996 118.700 -0.080 0.000 2.216 236 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 236 N C 1.730 177.101 175.510 -0.230 0.000 1.017 236 N CA 0.607 53.526 53.050 -0.218 0.000 0.861 236 N CB -0.398 37.898 38.487 -0.319 0.000 0.986 236 N HN 0.319 nan 8.380 nan 0.000 0.428 237 F N 1.354 121.297 119.950 -0.012 0.000 2.186 237 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 237 F C 2.339 178.121 175.800 -0.029 0.000 1.090 237 F CA 0.794 58.780 58.000 -0.024 0.000 1.307 237 F CB -0.227 38.769 39.000 -0.008 0.000 1.019 237 F HN -0.056 nan 8.300 nan 0.000 0.489 238 R N -0.512 120.084 120.500 0.160 0.000 2.090 238 R HA -0.069 4.271 4.340 -0.000 0.000 0.228 238 R C 2.296 178.607 176.300 0.019 0.000 1.110 238 R CA 1.066 57.216 56.100 0.083 0.000 0.973 238 R CB -0.835 29.509 30.300 0.073 0.000 0.869 238 R HN 0.204 nan 8.270 nan 0.000 0.440 239 V N 1.198 121.100 119.914 -0.020 0.000 2.515 239 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 239 V C 1.904 177.953 176.094 -0.075 0.000 1.058 239 V CA 1.422 63.691 62.300 -0.052 0.000 1.064 239 V CB -0.200 31.571 31.823 -0.088 0.000 0.675 239 V HN 0.225 nan 8.190 nan 0.000 0.461 240 I N 0.169 120.680 120.570 -0.097 0.000 2.202 240 I HA -0.193 3.976 4.170 -0.000 0.000 0.242 240 I C 2.495 178.511 176.117 -0.169 0.000 1.091 240 I CA 1.771 62.996 61.300 -0.124 0.000 1.368 240 I CB -1.249 36.673 38.000 -0.129 0.000 1.058 240 I HN 0.370 nan 8.210 nan 0.000 0.410 241 K N 0.246 120.550 120.400 -0.159 0.000 2.032 241 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 241 K C 2.224 178.755 176.600 -0.116 0.000 1.048 241 K CA 1.383 57.530 56.287 -0.234 0.000 0.927 241 K CB -0.254 32.253 32.500 0.012 0.000 0.712 241 K HN 0.215 nan 8.250 nan 0.000 0.441 242 R N 1.085 121.564 120.500 -0.035 0.000 2.081 242 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 242 R C 2.228 178.528 176.300 -0.000 0.000 1.131 242 R CA 1.605 57.707 56.100 0.003 0.000 0.960 242 R CB -0.125 30.181 30.300 0.010 0.000 0.856 242 R HN 0.156 nan 8.270 nan 0.000 0.436 243 M N 0.482 120.072 119.600 -0.017 0.000 2.132 243 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 243 M C 2.278 178.580 176.300 0.005 0.000 1.065 243 M CA 1.535 56.843 55.300 0.013 0.000 1.122 243 M CB -0.176 32.443 32.600 0.031 0.000 1.365 243 M HN 0.214 nan 8.290 nan 0.000 0.411 244 L N -0.931 120.255 121.223 -0.062 0.000 2.056 244 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 244 L C 2.551 179.448 176.870 0.046 0.000 1.078 244 L CA 0.959 55.764 54.840 -0.059 0.000 0.749 244 L CB -0.673 41.225 42.059 -0.268 0.000 0.901 244 L HN 0.242 nan 8.230 nan 0.000 0.433 245 S N -0.553 115.190 115.700 0.072 0.000 2.383 245 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 245 S C 1.869 176.515 174.600 0.076 0.000 1.026 245 S CA 1.185 59.463 58.200 0.129 0.000 0.981 245 S CB -0.129 63.157 63.200 0.143 0.000 0.818 245 S HN 0.399 nan 8.310 nan 0.000 0.472 246 E N 0.771 121.003 120.200 0.053 0.000 2.110 246 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 246 E C 1.751 178.376 176.600 0.041 0.000 0.988 246 E CA 0.916 57.343 56.400 0.045 0.000 0.804 246 E CB -0.059 29.667 29.700 0.044 0.000 0.745 246 E HN 0.466 nan 8.360 nan 0.000 0.458 247 M N -1.101 118.523 119.600 0.040 0.000 2.558 247 M HA 0.105 4.585 4.480 -0.000 0.000 0.255 247 M C 1.021 177.341 176.300 0.033 0.000 1.113 247 M CA 0.739 56.058 55.300 0.031 0.000 1.097 247 M CB 0.750 33.360 32.600 0.017 0.000 1.426 247 M HN 0.292 nan 8.290 nan 0.000 0.488 248 G N 1.552 110.382 108.800 0.050 0.000 2.225 248 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.264 248 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.264 248 G C -0.242 174.692 174.900 0.056 0.000 1.060 248 G CA -0.265 44.865 45.100 0.051 0.000 0.833 248 G HN 0.319 nan 8.290 nan 0.000 0.498 249 V N 0.492 120.455 119.914 0.082 0.000 2.407 249 V HA 0.692 4.812 4.120 -0.000 0.000 0.278 249 V C 1.285 177.477 176.094 0.164 0.000 1.037 249 V CA -0.050 62.303 62.300 0.089 0.000 0.900 249 V CB 1.576 33.438 31.823 0.065 0.000 0.983 249 V HN 0.766 nan 8.190 nan 0.000 0.459 250 G N 4.616 113.473 108.800 0.095 0.000 2.378 250 G HA2 0.441 4.401 3.960 -0.000 0.000 0.255 250 G HA3 0.441 4.401 3.960 -0.000 0.000 0.255 250 G C -0.868 174.107 174.900 0.124 0.000 1.270 250 G CA 0.101 45.235 45.100 0.056 0.000 0.876 250 G HN 0.907 nan 8.290 nan 0.000 0.521 251 Y N -0.731 119.577 120.300 0.014 0.000 2.655 251 Y HA 0.791 5.341 4.550 -0.000 0.000 0.336 251 Y C -0.584 175.337 175.900 0.034 0.000 1.154 251 Y CA -1.671 56.447 58.100 0.029 0.000 1.055 251 Y CB 1.588 40.075 38.460 0.045 0.000 1.295 251 Y HN 0.504 nan 8.280 nan 0.000 0.465 252 S N 2.068 117.873 115.700 0.176 0.000 2.776 252 S HA 0.460 4.930 4.470 -0.000 0.000 0.284 252 S C -2.067 172.693 174.600 0.267 0.000 1.160 252 S CA -0.556 57.703 58.200 0.098 0.000 1.051 252 S CB 0.628 63.860 63.200 0.053 0.000 1.037 252 S HN 0.779 nan 8.310 nan 0.000 0.485 253 L N 6.951 128.346 121.223 0.286 0.000 2.312 253 L HA 0.517 4.857 4.340 -0.000 0.000 0.287 253 L C -0.811 176.155 176.870 0.161 0.000 1.091 253 L CA -0.086 54.908 54.840 0.256 0.000 0.846 253 L CB 0.161 42.377 42.059 0.261 0.000 1.219 253 L HN 0.639 nan 8.230 nan 0.000 0.439 254 L N 5.465 126.832 121.223 0.239 0.000 2.433 254 L HA 0.290 4.629 4.340 -0.000 0.000 0.284 254 L C 0.652 177.658 176.870 0.226 0.000 1.120 254 L CA -0.222 54.798 54.840 0.299 0.000 0.879 254 L CB -0.120 42.311 42.059 0.621 0.000 1.232 254 L HN 0.899 nan 8.230 nan 0.000 0.454 255 S N 2.364 117.907 115.700 -0.261 0.000 3.817 255 S HA -0.141 4.329 4.470 -0.000 0.000 0.752 255 S C -0.715 173.750 174.600 -0.224 0.000 0.479 255 S CA -0.327 57.599 58.200 -0.456 0.000 1.425 255 S CB -0.523 62.726 63.200 0.082 0.000 0.808 255 S HN 0.863 nan 8.310 nan 0.000 1.047 256 D N 5.085 125.259 120.400 -0.377 0.000 2.438 256 D HA 0.489 5.129 4.640 -0.000 0.000 0.257 256 D C -1.149 174.856 176.300 -0.491 0.000 1.148 256 D CA -1.871 51.858 54.000 -0.451 0.000 0.902 256 D CB 1.325 41.967 40.800 -0.264 0.000 1.062 256 D HN 0.277 nan 8.370 nan 0.000 0.518 257 P HA 0.017 nan 4.420 nan 0.000 0.257 257 P C 0.738 177.765 177.300 -0.454 0.000 1.281 257 P CA 0.193 63.011 63.100 -0.470 0.000 0.826 257 P CB 0.251 31.706 31.700 -0.408 0.000 1.237 258 E N 0.598 120.473 120.200 -0.542 0.000 2.118 258 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 258 E C 1.607 178.125 176.600 -0.137 0.000 0.992 258 E CA 1.213 57.459 56.400 -0.258 0.000 0.804 258 E CB -0.630 28.988 29.700 -0.137 0.000 0.741 258 E HN 0.089 nan 8.360 nan 0.000 0.458 259 E N 0.659 120.776 120.200 -0.139 0.000 2.046 259 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 259 E C 2.464 179.017 176.600 -0.078 0.000 0.982 259 E CA 1.580 57.932 56.400 -0.081 0.000 0.800 259 E CB -0.141 29.519 29.700 -0.067 0.000 0.756 259 E HN 0.388 nan 8.360 nan 0.000 0.449 260 V N 0.855 120.704 119.914 -0.109 0.000 2.759 260 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 260 V C 2.260 178.281 176.094 -0.121 0.000 1.080 260 V CA 1.101 63.344 62.300 -0.095 0.000 1.101 260 V CB -0.643 31.124 31.823 -0.093 0.000 0.698 260 V HN 0.129 nan 8.190 nan 0.000 0.477 261 L N -0.270 120.843 121.223 -0.184 0.000 2.592 261 L HA 0.310 4.650 4.340 -0.000 0.000 0.227 261 L C 0.582 177.423 176.870 -0.048 0.000 1.127 261 L CA 0.486 55.183 54.840 -0.238 0.000 0.884 261 L CB 0.114 41.858 42.059 -0.524 0.000 1.065 261 L HN 0.293 nan 8.230 nan 0.000 0.457 262 D N 0.218 120.613 120.400 -0.008 0.000 3.060 262 D HA 0.066 4.706 4.640 -0.000 0.000 0.326 262 D C 0.087 176.405 176.300 0.031 0.000 1.253 262 D CA -0.132 53.898 54.000 0.050 0.000 0.737 262 D CB 0.560 41.397 40.800 0.062 0.000 1.260 262 D HN -0.014 nan 8.370 nan 0.000 0.542 263 T N -0.335 114.239 114.554 0.034 0.000 2.889 263 T HA 0.624 4.974 4.350 -0.000 0.000 0.291 263 T C -1.980 172.748 174.700 0.046 0.000 0.995 263 T CA -1.357 60.762 62.100 0.032 0.000 1.092 263 T CB 1.445 70.334 68.868 0.035 0.000 0.954 263 T HN 0.029 nan 8.240 nan 0.000 0.506 264 P HA 0.333 nan 4.420 nan 0.000 0.275 264 P C -0.779 176.552 177.300 0.051 0.000 1.228 264 P CA -0.580 62.543 63.100 0.037 0.000 0.786 264 P CB 0.564 32.280 31.700 0.026 0.000 0.927 265 A N 2.602 125.453 122.820 0.050 0.000 2.798 265 A HA 0.266 4.586 4.320 -0.000 0.000 0.316 265 A C 0.403 178.016 177.584 0.047 0.000 1.506 265 A CA -0.382 51.689 52.037 0.057 0.000 1.162 265 A CB -0.789 18.244 19.000 0.055 0.000 1.138 265 A HN 0.574 nan 8.150 nan 0.000 0.532 266 D N 0.771 121.201 120.400 0.049 0.000 2.571 266 D HA 0.313 4.953 4.640 -0.000 0.000 0.239 266 D C 0.892 177.217 176.300 0.042 0.000 1.267 266 D CA 0.370 54.393 54.000 0.039 0.000 0.823 266 D CB -0.195 40.624 40.800 0.032 0.000 1.056 266 D HN 0.942 nan 8.370 nan 0.000 0.494 267 G N 0.222 109.053 108.800 0.052 0.000 2.176 267 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 267 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 267 G C -0.066 174.874 174.900 0.067 0.000 0.986 267 G CA 0.112 45.243 45.100 0.053 0.000 0.643 267 G HN 0.613 nan 8.290 nan 0.000 0.522 268 Q N -0.421 119.426 119.800 0.079 0.000 2.304 268 Q HA 0.621 4.961 4.340 -0.000 0.000 0.270 268 Q C -1.319 174.769 176.000 0.146 0.000 1.035 268 Q CA -1.180 54.679 55.803 0.093 0.000 0.781 268 Q CB 1.397 30.166 28.738 0.052 0.000 1.261 268 Q HN 0.346 nan 8.270 nan 0.000 0.444 269 F N 4.145 124.102 119.950 0.012 0.000 2.420 269 F HA 0.442 4.969 4.527 -0.000 0.000 0.352 269 F C -0.861 174.937 175.800 -0.003 0.000 1.108 269 F CA -0.492 57.510 58.000 0.004 0.000 1.162 269 F CB 0.698 39.701 39.000 0.004 0.000 1.118 269 F HN 0.477 nan 8.300 nan 0.000 0.510 270 R N 7.604 127.786 120.500 -0.531 0.000 2.272 270 R HA 0.230 4.569 4.340 -0.000 0.000 0.323 270 R C 1.086 176.867 176.300 -0.864 0.000 1.002 270 R CA -0.449 55.305 56.100 -0.576 0.000 0.900 270 R CB 1.293 31.466 30.300 -0.211 0.000 1.151 270 R HN 0.934 nan 8.270 nan 0.000 0.507 271 M N 2.093 121.009 119.600 -1.141 0.000 2.213 271 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 271 M C -0.628 175.231 176.300 -0.736 0.000 1.062 271 M CA 1.808 56.525 55.300 -0.972 0.000 1.105 271 M CB 0.372 32.388 32.600 -0.974 0.000 1.385 271 M HN 0.406 nan 8.290 nan 0.000 0.417 272 Y N -0.554 119.640 120.300 -0.177 0.000 2.499 272 Y HA 0.716 5.266 4.550 -0.000 0.000 0.347 272 Y C -0.500 175.341 175.900 -0.099 0.000 0.987 272 Y CA -1.350 56.692 58.100 -0.096 0.000 1.044 272 Y CB 1.564 39.993 38.460 -0.052 0.000 1.245 272 Y HN 0.005 nan 8.280 nan 0.000 0.461 273 A N 1.251 124.120 122.820 0.082 0.000 2.513 273 A HA 0.692 5.012 4.320 -0.000 0.000 0.296 273 A C 0.236 177.814 177.584 -0.009 0.000 1.052 273 A CA -0.252 51.793 52.037 0.014 0.000 0.714 273 A CB 0.694 19.682 19.000 -0.020 0.000 1.279 273 A HN 1.576 nan 8.150 nan 0.000 0.397 274 G N 1.266 110.054 108.800 -0.021 0.000 2.602 274 G HA2 0.427 4.387 3.960 -0.000 0.000 0.306 274 G HA3 0.427 4.387 3.960 -0.000 0.000 0.306 274 G C 1.542 176.405 174.900 -0.063 0.000 1.301 274 G CA 1.351 46.424 45.100 -0.045 0.000 0.974 274 G HN 3.209 nan 8.290 nan 0.000 0.547 275 G N -3.842 104.897 108.800 -0.100 0.000 2.650 275 G HA2 0.384 4.344 3.960 -0.000 0.000 0.686 275 G HA3 0.384 4.344 3.960 -0.000 0.000 0.686 275 G C -0.144 174.675 174.900 -0.136 0.000 1.205 275 G CA 0.355 45.372 45.100 -0.139 0.000 0.781 275 G HN 1.886 nan 8.290 nan 0.000 0.648 276 T N 2.058 116.477 114.554 -0.224 0.000 2.871 276 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 276 T C 1.443 176.110 174.700 -0.054 0.000 0.998 276 T CA 1.060 63.052 62.100 -0.180 0.000 1.162 276 T CB 0.281 68.925 68.868 -0.374 0.000 0.947 276 T HN 1.460 nan 8.240 nan 0.000 0.536 277 T N 2.016 116.535 114.554 -0.058 0.000 2.882 277 T HA 0.203 4.553 4.350 -0.000 0.000 0.287 277 T C 1.329 175.953 174.700 -0.125 0.000 1.014 277 T CA -0.760 61.296 62.100 -0.073 0.000 1.049 277 T CB 0.973 69.790 68.868 -0.085 0.000 1.001 277 T HN 0.589 nan 8.240 nan 0.000 0.525 278 Q N -0.061 119.612 119.800 -0.212 0.000 2.170 278 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 278 Q C 2.163 177.936 176.000 -0.378 0.000 0.976 278 Q CA 1.179 56.705 55.803 -0.463 0.000 0.858 278 Q CB 0.009 28.503 28.738 -0.407 0.000 0.907 278 Q HN 0.665 nan 8.270 nan 0.000 0.433 279 E N 0.891 120.968 120.200 -0.204 0.000 2.150 279 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 279 E C 1.639 178.158 176.600 -0.134 0.000 0.985 279 E CA 0.931 57.243 56.400 -0.146 0.000 0.814 279 E CB 0.050 29.691 29.700 -0.098 0.000 0.752 279 E HN 0.453 nan 8.360 nan 0.000 0.466 280 E N -0.070 120.058 120.200 -0.121 0.000 2.106 280 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 280 E C 1.941 178.496 176.600 -0.075 0.000 0.984 280 E CA 0.804 57.154 56.400 -0.084 0.000 0.806 280 E CB -0.069 29.599 29.700 -0.054 0.000 0.750 280 E HN 0.060 nan 8.360 nan 0.000 0.458 281 M N 1.261 120.795 119.600 -0.110 0.000 2.099 281 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 281 M C 1.666 177.915 176.300 -0.085 0.000 1.067 281 M CA 1.722 56.982 55.300 -0.066 0.000 1.124 281 M CB 0.093 32.571 32.600 -0.203 0.000 1.353 281 M HN -0.189 nan 8.290 nan 0.000 0.410 282 K N -0.713 119.598 120.400 -0.148 0.000 2.147 282 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 282 K C 1.480 178.013 176.600 -0.110 0.000 1.049 282 K CA 1.537 57.788 56.287 -0.059 0.000 0.936 282 K CB -0.245 32.229 32.500 -0.044 0.000 0.722 282 K HN 0.379 nan 8.250 nan 0.000 0.446 283 D N 0.162 120.481 120.400 -0.135 0.000 2.333 283 D HA 0.059 4.699 4.640 -0.000 0.000 0.208 283 D C 1.635 177.797 176.300 -0.229 0.000 0.984 283 D CA 0.583 54.493 54.000 -0.149 0.000 0.873 283 D CB 0.175 40.910 40.800 -0.108 0.000 0.935 283 D HN 0.135 nan 8.370 nan 0.000 0.521 284 A N 1.335 123.979 122.820 -0.294 0.000 1.954 284 A HA -0.206 4.114 4.320 -0.000 0.000 0.222 284 A C -0.187 176.975 177.584 -0.703 0.000 1.199 284 A CA 1.775 53.538 52.037 -0.457 0.000 0.657 284 A CB -1.810 16.840 19.000 -0.584 0.000 0.823 284 A HN 0.300 nan 8.150 nan 0.000 0.463 285 P HA -0.092 nan 4.420 nan 0.000 0.223 285 P C 0.763 177.950 177.300 -0.188 0.000 1.144 285 P CA 1.055 63.654 63.100 -0.834 0.000 0.783 285 P CB -0.126 31.137 31.700 -0.728 0.000 0.771 286 N N -0.835 117.773 118.700 -0.152 0.000 2.461 286 N HA 0.060 4.800 4.740 -0.000 0.000 0.188 286 N C 0.772 176.274 175.510 -0.013 0.000 1.134 286 N CA 0.141 53.160 53.050 -0.051 0.000 0.878 286 N CB -0.215 38.227 38.487 -0.073 0.000 0.972 286 N HN 0.092 nan 8.380 nan 0.000 0.456 287 A N 0.280 123.114 122.820 0.023 0.000 2.346 287 A HA 0.240 4.560 4.320 -0.000 0.000 0.252 287 A C 1.545 179.032 177.584 -0.161 0.000 1.089 287 A CA -0.318 51.709 52.037 -0.018 0.000 0.797 287 A CB 0.329 19.367 19.000 0.063 0.000 1.047 287 A HN 0.150 nan 8.150 nan 0.000 0.494 288 L N -0.008 121.119 121.223 -0.159 0.000 2.093 288 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 288 L C 1.123 177.769 176.870 -0.373 0.000 1.085 288 L CA 1.145 55.867 54.840 -0.197 0.000 0.755 288 L CB -0.340 41.653 42.059 -0.110 0.000 0.904 288 L HN 0.804 nan 8.230 nan 0.000 0.435 289 N N -2.323 116.140 118.700 -0.395 0.000 3.261 289 N HA 0.251 4.990 4.740 -0.000 0.000 0.248 289 N C -1.437 174.057 175.510 -0.026 0.000 1.498 289 N CA -0.335 52.495 53.050 -0.368 0.000 0.884 289 N CB 1.882 40.285 38.487 -0.140 0.000 1.428 289 N HN -0.336 nan 8.380 nan 0.000 0.517 290 T N 0.329 114.993 114.554 0.184 0.000 2.881 290 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 290 T C -0.974 173.826 174.700 0.167 0.000 1.000 290 T CA -0.344 61.938 62.100 0.304 0.000 0.978 290 T CB 1.528 70.704 68.868 0.513 0.000 0.997 290 T HN 0.173 nan 8.240 nan 0.000 0.443 291 V N 4.668 124.669 119.914 0.146 0.000 2.448 291 V HA 0.463 4.582 4.120 -0.000 0.000 0.295 291 V C -0.393 175.746 176.094 0.074 0.000 1.025 291 V CA -0.836 61.525 62.300 0.102 0.000 0.859 291 V CB 1.480 33.382 31.823 0.132 0.000 0.988 291 V HN 0.717 nan 8.190 nan 0.000 0.431 292 L N 5.851 127.080 121.223 0.009 0.000 2.259 292 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 292 L C 1.211 178.018 176.870 -0.106 0.000 1.051 292 L CA -0.304 54.491 54.840 -0.074 0.000 0.824 292 L CB 0.983 42.973 42.059 -0.116 0.000 1.206 292 L HN 0.605 nan 8.230 nan 0.000 0.429 293 L N 2.234 123.379 121.223 -0.130 0.000 2.131 293 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 293 L C 0.735 177.491 176.870 -0.189 0.000 1.092 293 L CA 1.372 56.112 54.840 -0.167 0.000 0.759 293 L CB -0.202 41.738 42.059 -0.198 0.000 0.903 293 L HN 0.722 nan 8.230 nan 0.000 0.435 294 Q N -0.028 119.613 119.800 -0.265 0.000 2.907 294 Q HA 0.186 4.526 4.340 -0.000 0.000 0.262 294 Q C -1.772 174.014 176.000 -0.356 0.000 0.997 294 Q CA -1.533 54.106 55.803 -0.273 0.000 0.797 294 Q CB 1.301 29.831 28.738 -0.347 0.000 1.228 294 Q HN 0.066 nan 8.270 nan 0.000 0.466 295 P HA -0.187 nan 4.420 nan 0.000 0.218 295 P C 0.390 177.498 177.300 -0.319 0.000 1.148 295 P CA 1.218 64.133 63.100 -0.308 0.000 0.822 295 P CB 0.130 31.613 31.700 -0.362 0.000 0.784 296 W N 0.471 121.736 121.300 -0.058 0.000 2.721 296 W HA -0.057 4.603 4.660 -0.000 0.000 0.245 296 W C 2.090 178.635 176.519 0.044 0.000 1.276 296 W CA 0.788 58.156 57.345 0.038 0.000 1.342 296 W CB -0.608 28.946 29.460 0.155 0.000 1.135 296 W HN 0.323 nan 8.180 nan 0.000 0.654 297 H N -2.735 116.402 119.070 0.112 0.000 3.007 297 H HA 0.309 4.865 4.556 -0.000 0.000 0.251 297 H C 0.368 175.720 175.328 0.040 0.000 1.188 297 H CA -0.162 55.919 56.048 0.055 0.000 1.017 297 H CB -0.433 29.327 29.762 -0.004 0.000 1.805 297 H HN 0.168 nan 8.280 nan 0.000 0.659 298 L N 1.213 122.380 121.223 -0.094 0.000 3.218 298 L HA 0.218 4.558 4.340 -0.000 0.000 0.279 298 L C 1.438 178.295 176.870 -0.021 0.000 1.287 298 L CA -0.049 54.759 54.840 -0.053 0.000 1.024 298 L CB 0.994 42.935 42.059 -0.197 0.000 1.409 298 L HN 0.101 nan 8.230 nan 0.000 0.580 299 E N 1.197 121.402 120.200 0.008 0.000 2.051 299 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 299 E C 2.139 178.753 176.600 0.024 0.000 0.991 299 E CA 1.551 57.948 56.400 -0.005 0.000 0.799 299 E CB 0.257 29.971 29.700 0.025 0.000 0.748 299 E HN 0.331 nan 8.360 nan 0.000 0.449 300 K N -0.685 119.751 120.400 0.061 0.000 2.057 300 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 300 K C 2.017 178.671 176.600 0.090 0.000 1.050 300 K CA 1.720 58.047 56.287 0.067 0.000 0.935 300 K CB -0.161 32.379 32.500 0.067 0.000 0.715 300 K HN 0.070 nan 8.250 nan 0.000 0.439 301 T N 1.430 116.058 114.554 0.124 0.000 2.652 301 T HA -0.198 4.151 4.350 -0.000 0.000 0.267 301 T C 1.700 176.454 174.700 0.089 0.000 1.039 301 T CA 1.763 63.969 62.100 0.177 0.000 1.153 301 T CB -0.195 68.800 68.868 0.211 0.000 0.863 301 T HN 0.338 nan 8.240 nan 0.000 0.428 302 K N 1.057 121.471 120.400 0.024 0.000 2.020 302 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 302 K C 2.399 178.982 176.600 -0.028 0.000 1.050 302 K CA 1.819 58.093 56.287 -0.022 0.000 0.929 302 K CB -0.204 32.263 32.500 -0.054 0.000 0.714 302 K HN 0.198 nan 8.250 nan 0.000 0.443 303 K N -0.356 120.044 120.400 -0.001 0.000 2.074 303 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 303 K C 2.094 178.691 176.600 -0.006 0.000 1.048 303 K CA 1.804 58.091 56.287 -0.000 0.000 0.926 303 K CB -0.281 32.234 32.500 0.025 0.000 0.713 303 K HN 0.199 nan 8.250 nan 0.000 0.444 304 F N 0.728 120.595 119.950 -0.137 0.000 2.128 304 F HA -0.132 4.395 4.527 -0.000 0.000 0.295 304 F C 1.759 177.347 175.800 -0.353 0.000 1.100 304 F CA 1.007 58.880 58.000 -0.213 0.000 1.260 304 F CB -0.307 38.553 39.000 -0.233 0.000 1.009 304 F HN -0.217 nan 8.300 nan 0.000 0.476 305 V N 0.653 120.277 119.914 -0.484 0.000 2.490 305 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 305 V C 2.186 178.067 176.094 -0.355 0.000 1.061 305 V CA 2.314 64.197 62.300 -0.694 0.000 1.064 305 V CB -0.631 30.970 31.823 -0.370 0.000 0.670 305 V HN 0.393 nan 8.190 nan 0.000 0.461 306 E N 0.003 120.083 120.200 -0.201 0.000 2.086 306 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 306 E C 2.346 178.873 176.600 -0.121 0.000 0.975 306 E CA 0.984 57.330 56.400 -0.091 0.000 0.813 306 E CB -0.407 29.264 29.700 -0.047 0.000 0.768 306 E HN 0.616 nan 8.360 nan 0.000 0.457 307 G N 0.739 109.434 108.800 -0.174 0.000 2.404 307 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 307 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 307 G C 1.614 176.395 174.900 -0.199 0.000 1.174 307 G CA 1.335 46.345 45.100 -0.149 0.000 0.780 307 G HN 0.164 nan 8.290 nan 0.000 0.537 308 T N -0.491 113.812 114.554 -0.417 0.000 2.925 308 T HA -0.007 4.343 4.350 -0.000 0.000 0.245 308 T C 1.970 176.588 174.700 -0.137 0.000 1.025 308 T CA 0.632 62.507 62.100 -0.375 0.000 1.149 308 T CB -0.126 68.275 68.868 -0.778 0.000 0.866 308 T HN 0.369 nan 8.240 nan 0.000 0.437 309 W N 1.876 122.893 121.300 -0.472 0.000 2.519 309 W HA 0.260 4.920 4.660 -0.000 0.000 0.266 309 W C 0.637 177.012 176.519 -0.241 0.000 1.253 309 W CA -0.072 57.028 57.345 -0.408 0.000 1.274 309 W CB -0.396 28.659 29.460 -0.675 0.000 1.114 309 W HN 0.178 nan 8.180 nan 0.000 0.596 310 K N -0.596 119.828 120.400 0.040 0.000 3.192 310 K HA -0.245 4.075 4.320 -0.000 0.000 0.278 310 K C -0.389 176.346 176.600 0.225 0.000 1.164 310 K CA 0.774 57.115 56.287 0.089 0.000 0.816 310 K CB -2.665 29.885 32.500 0.083 0.000 1.256 310 K HN 0.431 nan 8.250 nan 0.000 0.497 311 H N 0.868 120.000 119.070 0.103 0.000 2.525 311 H HA 0.178 4.734 4.556 -0.000 0.000 0.339 311 H C 0.324 175.680 175.328 0.047 0.000 1.109 311 H CA -0.513 55.595 56.048 0.099 0.000 1.352 311 H CB 0.776 30.646 29.762 0.181 0.000 1.461 311 H HN 0.077 nan 8.280 nan 0.000 0.533 312 E N 2.914 123.192 120.200 0.131 0.000 2.028 312 E HA 0.094 4.444 4.350 -0.000 0.000 0.275 312 E C -0.395 176.230 176.600 0.042 0.000 1.171 312 E CA -0.401 56.034 56.400 0.058 0.000 1.186 312 E CB 0.365 30.079 29.700 0.023 0.000 1.256 312 E HN 0.284 nan 8.360 nan 0.000 0.474 313 V N 3.570 123.519 119.914 0.059 0.000 2.555 313 V HA -0.070 4.050 4.120 -0.000 0.000 0.299 313 V C -1.764 174.325 176.094 -0.009 0.000 1.012 313 V CA -0.714 61.606 62.300 0.034 0.000 1.180 313 V CB -0.690 31.147 31.823 0.023 0.000 0.887 313 V HN 0.407 nan 8.190 nan 0.000 0.476 314 P HA 0.100 nan 4.420 nan 0.000 0.268 314 P C -0.260 177.006 177.300 -0.058 0.000 1.208 314 P CA -0.324 62.754 63.100 -0.036 0.000 0.777 314 P CB 0.441 32.118 31.700 -0.039 0.000 0.875 315 K N 3.083 123.442 120.400 -0.068 0.000 2.184 315 K HA 0.293 4.613 4.320 -0.000 0.000 0.259 315 K C -1.019 175.514 176.600 -0.113 0.000 1.119 315 K CA -0.148 56.080 56.287 -0.099 0.000 0.991 315 K CB -0.709 31.740 32.500 -0.085 0.000 1.522 315 K HN 0.411 nan 8.250 nan 0.000 0.405 316 L N 2.945 124.091 121.223 -0.128 0.000 2.346 316 L HA 0.393 4.733 4.340 -0.000 0.000 0.274 316 L C -0.190 176.530 176.870 -0.250 0.000 1.007 316 L CA -1.112 53.639 54.840 -0.148 0.000 0.818 316 L CB 2.060 44.098 42.059 -0.035 0.000 1.284 316 L HN 0.546 nan 8.230 nan 0.000 0.424 317 N N 1.196 119.626 118.700 -0.451 0.000 2.445 317 N HA 0.365 5.104 4.740 -0.000 0.000 0.264 317 N C -0.242 175.033 175.510 -0.390 0.000 1.227 317 N CA -0.665 51.985 53.050 -0.667 0.000 0.963 317 N CB 1.379 38.768 38.487 -1.830 0.000 1.188 317 N HN 0.489 nan 8.380 nan 0.000 0.491 318 I N 2.511 122.944 120.570 -0.228 0.000 2.741 318 I HA 0.021 4.191 4.170 -0.000 0.000 0.288 318 I C -1.832 174.275 176.117 -0.018 0.000 1.192 318 I CA -1.317 59.933 61.300 -0.083 0.000 1.426 318 I CB 0.665 38.695 38.000 0.049 0.000 1.367 318 I HN 0.443 nan 8.210 nan 0.000 0.563 319 P HA 0.074 nan 4.420 nan 0.000 0.252 319 P C -0.929 176.290 177.300 -0.134 0.000 1.694 319 P CA 0.453 63.441 63.100 -0.186 0.000 1.163 319 P CB -0.067 31.246 31.700 -0.644 0.000 1.934 320 M N 1.246 120.875 119.600 0.049 0.000 2.535 320 M HA 0.585 5.065 4.480 -0.000 0.000 0.314 320 M C 0.685 176.898 176.300 -0.144 0.000 1.153 320 M CA 0.043 55.294 55.300 -0.082 0.000 0.924 320 M CB 2.599 35.196 32.600 -0.006 0.000 1.710 320 M HN 0.390 nan 8.290 nan 0.000 0.451 321 G N 0.953 109.488 108.800 -0.442 0.000 2.741 321 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.222 321 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.222 321 G C -0.318 174.486 174.900 -0.159 0.000 1.364 321 G CA -0.078 44.743 45.100 -0.466 0.000 0.866 321 G HN 0.723 nan 8.290 nan 0.000 0.555 322 L N -0.379 120.875 121.223 0.051 0.000 2.034 322 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 322 L C 2.551 179.515 176.870 0.157 0.000 1.074 322 L CA 2.746 57.687 54.840 0.169 0.000 0.748 322 L CB -0.782 41.389 42.059 0.188 0.000 0.905 322 L HN 0.638 nan 8.230 nan 0.000 0.439 323 D N -0.768 119.683 120.400 0.086 0.000 2.104 323 D HA -0.237 4.403 4.640 -0.000 0.000 0.194 323 D C 1.979 178.454 176.300 0.291 0.000 0.994 323 D CA 1.462 55.541 54.000 0.132 0.000 0.830 323 D CB -0.403 40.424 40.800 0.046 0.000 0.959 323 D HN 0.432 nan 8.370 nan 0.000 0.452 324 W N 1.082 122.403 121.300 0.036 0.000 2.519 324 W HA 0.033 4.693 4.660 -0.000 0.000 0.266 324 W C 2.268 178.785 176.519 -0.002 0.000 1.253 324 W CA 0.505 57.862 57.345 0.020 0.000 1.274 324 W CB -1.225 28.234 29.460 -0.002 0.000 1.114 324 W HN -0.038 nan 8.180 nan 0.000 0.596 325 T N -0.180 114.460 114.554 0.142 0.000 2.896 325 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 325 T C 1.241 175.985 174.700 0.074 0.000 1.050 325 T CA 1.477 63.543 62.100 -0.056 0.000 1.140 325 T CB -0.163 68.423 68.868 -0.471 0.000 0.877 325 T HN -0.073 nan 8.240 nan 0.000 0.457 326 D N 1.568 122.070 120.400 0.170 0.000 2.092 326 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 326 D C 2.192 178.589 176.300 0.161 0.000 0.994 326 D CA 1.149 55.273 54.000 0.207 0.000 0.828 326 D CB -0.275 40.648 40.800 0.205 0.000 0.963 326 D HN 0.493 nan 8.370 nan 0.000 0.450 327 E N -0.289 120.017 120.200 0.176 0.000 2.085 327 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 327 E C 1.973 178.635 176.600 0.104 0.000 0.994 327 E CA 0.554 57.032 56.400 0.130 0.000 0.801 327 E CB -0.249 29.538 29.700 0.144 0.000 0.743 327 E HN 0.232 nan 8.360 nan 0.000 0.453 328 F N 1.458 121.404 119.950 -0.007 0.000 2.095 328 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 328 F C 1.901 177.680 175.800 -0.035 0.000 1.104 328 F CA 1.443 59.417 58.000 -0.043 0.000 1.232 328 F CB -0.205 38.753 39.000 -0.070 0.000 0.987 328 F HN -0.084 nan 8.300 nan 0.000 0.475 329 L N -0.483 120.716 121.223 -0.041 0.000 2.083 329 L HA -0.250 4.089 4.340 -0.000 0.000 0.209 329 L C 2.567 179.363 176.870 -0.123 0.000 1.083 329 L CA 1.510 56.279 54.840 -0.120 0.000 0.752 329 L CB -0.641 41.454 42.059 0.060 0.000 0.899 329 L HN 0.250 nan 8.230 nan 0.000 0.433 330 M N -0.570 118.999 119.600 -0.052 0.000 2.175 330 M HA -0.205 4.274 4.480 -0.000 0.000 0.264 330 M C 2.314 178.563 176.300 -0.084 0.000 1.063 330 M CA 1.523 56.798 55.300 -0.040 0.000 1.119 330 M CB -0.214 32.387 32.600 0.002 0.000 1.377 330 M HN 0.005 nan 8.290 nan 0.000 0.415 331 K N 0.472 120.797 120.400 -0.125 0.000 2.057 331 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 331 K C 1.573 178.057 176.600 -0.195 0.000 1.050 331 K CA 1.187 57.389 56.287 -0.142 0.000 0.935 331 K CB -0.477 31.937 32.500 -0.143 0.000 0.715 331 K HN 0.105 nan 8.250 nan 0.000 0.439 332 V N 0.507 120.226 119.914 -0.324 0.000 2.490 332 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 332 V C 2.362 178.355 176.094 -0.169 0.000 1.061 332 V CA 2.036 64.149 62.300 -0.310 0.000 1.064 332 V CB -0.546 30.991 31.823 -0.476 0.000 0.670 332 V HN 0.485 nan 8.190 nan 0.000 0.461 333 S N -0.638 114.979 115.700 -0.138 0.000 2.368 333 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 333 S C 2.088 176.650 174.600 -0.062 0.000 1.029 333 S CA 1.924 60.077 58.200 -0.078 0.000 0.988 333 S CB -0.210 62.958 63.200 -0.055 0.000 0.838 333 S HN 0.740 nan 8.310 nan 0.000 0.462 334 E N 0.261 120.420 120.200 -0.067 0.000 2.051 334 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 334 E C 2.041 178.608 176.600 -0.054 0.000 0.991 334 E CA 1.450 57.819 56.400 -0.052 0.000 0.799 334 E CB -0.257 29.413 29.700 -0.050 0.000 0.748 334 E HN 0.651 nan 8.360 nan 0.000 0.449 335 I N 0.979 121.507 120.570 -0.070 0.000 2.315 335 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 335 I C 2.498 178.581 176.117 -0.058 0.000 1.117 335 I CA 1.425 62.684 61.300 -0.068 0.000 1.404 335 I CB -0.179 37.771 38.000 -0.083 0.000 1.071 335 I HN 0.187 nan 8.210 nan 0.000 0.419 336 S N -0.363 115.303 115.700 -0.056 0.000 2.517 336 S HA 0.235 4.705 4.470 -0.000 0.000 0.214 336 S C 1.709 176.291 174.600 -0.030 0.000 0.991 336 S CA 0.388 58.565 58.200 -0.039 0.000 0.906 336 S CB 0.694 63.875 63.200 -0.032 0.000 0.789 336 S HN 0.573 nan 8.310 nan 0.000 0.513 337 G N 0.786 109.566 108.800 -0.032 0.000 2.205 337 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.261 337 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.261 337 G C -0.039 174.849 174.900 -0.019 0.000 0.980 337 G CA 0.198 45.284 45.100 -0.024 0.000 0.632 337 G HN 0.532 nan 8.290 nan 0.000 0.533 338 Q N 1.331 121.119 119.800 -0.020 0.000 2.286 338 Q HA 0.380 4.719 4.340 -0.000 0.000 0.257 338 Q C -2.047 173.946 176.000 -0.013 0.000 0.941 338 Q CA -1.482 54.314 55.803 -0.012 0.000 0.912 338 Q CB 1.759 30.492 28.738 -0.007 0.000 1.192 338 Q HN 0.409 nan 8.270 nan 0.000 0.410 339 P HA 0.213 nan 4.420 nan 0.000 0.277 339 P C -0.193 177.110 177.300 0.004 0.000 1.240 339 P CA -0.347 62.752 63.100 -0.002 0.000 0.798 339 P CB 0.963 32.664 31.700 0.001 0.000 0.979 340 I N 4.268 124.843 120.570 0.010 0.000 2.505 340 I HA 0.082 4.252 4.170 -0.000 0.000 0.287 340 I C -1.245 174.888 176.117 0.026 0.000 1.104 340 I CA -1.672 59.643 61.300 0.024 0.000 1.387 340 I CB 0.144 38.168 38.000 0.039 0.000 1.404 340 I HN 0.231 nan 8.210 nan 0.000 0.528 341 P HA 0.021 nan 4.420 nan 0.000 0.269 341 P C 0.461 177.775 177.300 0.024 0.000 1.209 341 P CA -0.240 62.875 63.100 0.024 0.000 0.776 341 P CB 1.112 32.828 31.700 0.027 0.000 0.876 342 A N 2.481 125.310 122.820 0.015 0.000 2.032 342 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 342 A C 2.537 180.125 177.584 0.007 0.000 1.165 342 A CA 2.225 54.266 52.037 0.008 0.000 0.645 342 A CB -1.432 17.571 19.000 0.004 0.000 0.807 342 A HN 0.656 nan 8.150 nan 0.000 0.453 343 S N -0.314 115.395 115.700 0.016 0.000 2.351 343 S HA -0.155 4.315 4.470 -0.000 0.000 0.220 343 S C 1.912 176.526 174.600 0.024 0.000 1.035 343 S CA 1.687 59.898 58.200 0.019 0.000 1.031 343 S CB -0.486 62.731 63.200 0.028 0.000 0.928 343 S HN 0.526 nan 8.310 nan 0.000 0.433 344 L N 0.702 121.955 121.223 0.050 0.000 2.141 344 L HA -0.072 4.267 4.340 -0.000 0.000 0.209 344 L C 2.764 179.642 176.870 0.014 0.000 1.094 344 L CA 1.460 56.355 54.840 0.091 0.000 0.763 344 L CB -1.049 41.104 42.059 0.157 0.000 0.908 344 L HN 0.373 nan 8.230 nan 0.000 0.437 345 T N -0.577 113.975 114.554 -0.003 0.000 2.746 345 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 345 T C 1.950 176.594 174.700 -0.094 0.000 1.039 345 T CA 1.387 63.460 62.100 -0.045 0.000 1.142 345 T CB -0.085 68.772 68.868 -0.018 0.000 0.866 345 T HN 0.253 nan 8.240 nan 0.000 0.444 346 K N 0.864 121.226 120.400 -0.064 0.000 2.057 346 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 346 K C 2.381 178.919 176.600 -0.104 0.000 1.050 346 K CA 1.341 57.588 56.287 -0.067 0.000 0.935 346 K CB -0.077 32.402 32.500 -0.035 0.000 0.715 346 K HN 0.393 nan 8.250 nan 0.000 0.439 347 E N 0.659 120.793 120.200 -0.110 0.000 2.077 347 E HA -0.236 4.113 4.350 -0.000 0.000 0.193 347 E C 2.169 178.564 176.600 -0.342 0.000 0.989 347 E CA 0.987 57.309 56.400 -0.129 0.000 0.800 347 E CB 0.013 29.706 29.700 -0.011 0.000 0.746 347 E HN 0.215 nan 8.360 nan 0.000 0.452 348 R N -0.200 119.918 120.500 -0.637 0.000 2.091 348 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 348 R C 2.337 178.404 176.300 -0.388 0.000 1.136 348 R CA 1.619 57.154 56.100 -0.942 0.000 0.959 348 R CB -0.553 29.255 30.300 -0.820 0.000 0.856 348 R HN 0.246 nan 8.270 nan 0.000 0.437 349 G N 0.389 109.046 108.800 -0.239 0.000 2.422 349 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 349 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 349 G C 1.419 176.264 174.900 -0.091 0.000 1.146 349 G CA 0.525 45.549 45.100 -0.128 0.000 0.769 349 G HN 0.334 nan 8.290 nan 0.000 0.547 350 R N -0.743 119.701 120.500 -0.094 0.000 2.115 350 R HA 0.094 4.434 4.340 -0.000 0.000 0.226 350 R C 2.393 178.674 176.300 -0.032 0.000 1.100 350 R CA 0.752 56.822 56.100 -0.050 0.000 0.980 350 R CB -0.355 29.921 30.300 -0.040 0.000 0.875 350 R HN 0.375 nan 8.270 nan 0.000 0.445 351 L N 0.525 121.717 121.223 -0.052 0.000 2.027 351 L HA -0.105 4.234 4.340 -0.000 0.000 0.206 351 L C 1.975 178.859 176.870 0.023 0.000 1.074 351 L CA 1.578 56.422 54.840 0.005 0.000 0.745 351 L CB -0.336 41.731 42.059 0.014 0.000 0.898 351 L HN -0.121 nan 8.230 nan 0.000 0.433 352 V N 0.109 120.015 119.914 -0.014 0.000 2.407 352 V HA -0.315 3.804 4.120 -0.000 0.000 0.248 352 V C 2.319 178.418 176.094 0.009 0.000 1.055 352 V CA 1.992 64.293 62.300 0.002 0.000 1.049 352 V CB -0.797 31.013 31.823 -0.022 0.000 0.662 352 V HN 0.603 nan 8.190 nan 0.000 0.455 353 D N -0.458 119.942 120.400 0.000 0.000 2.097 353 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 353 D C 2.190 178.506 176.300 0.027 0.000 0.989 353 D CA 1.667 55.673 54.000 0.010 0.000 0.827 353 D CB -0.117 40.683 40.800 0.000 0.000 0.966 353 D HN 0.366 nan 8.370 nan 0.000 0.456 354 M N -0.704 118.914 119.600 0.030 0.000 2.117 354 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 354 M C 2.301 178.633 176.300 0.053 0.000 1.065 354 M CA 1.203 56.527 55.300 0.041 0.000 1.114 354 M CB -0.197 32.429 32.600 0.045 0.000 1.361 354 M HN 0.153 nan 8.290 nan 0.000 0.408 355 M N -0.342 119.291 119.600 0.055 0.000 2.108 355 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 355 M C 2.395 178.748 176.300 0.088 0.000 1.066 355 M CA 2.220 57.549 55.300 0.048 0.000 1.107 355 M CB -0.877 31.741 32.600 0.031 0.000 1.356 355 M HN 0.462 nan 8.290 nan 0.000 0.406 356 T N -2.228 112.378 114.554 0.087 0.000 2.821 356 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 356 T C 1.322 176.148 174.700 0.209 0.000 1.046 356 T CA 1.480 63.678 62.100 0.163 0.000 1.139 356 T CB -0.453 68.465 68.868 0.083 0.000 0.871 356 T HN 0.236 nan 8.240 nan 0.000 0.454 357 D N 1.402 121.860 120.400 0.096 0.000 2.224 357 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 357 D C 1.825 178.142 176.300 0.028 0.000 0.965 357 D CA 0.954 54.984 54.000 0.051 0.000 0.852 357 D CB -0.144 40.681 40.800 0.042 0.000 0.947 357 D HN 0.462 nan 8.370 nan 0.000 0.494 358 S N -0.719 115.012 115.700 0.052 0.000 2.559 358 S HA 0.006 4.476 4.470 -0.000 0.000 0.226 358 S C 1.354 175.979 174.600 0.042 0.000 1.000 358 S CA -0.357 57.888 58.200 0.075 0.000 0.948 358 S CB 0.068 63.317 63.200 0.082 0.000 0.870 358 S HN 0.466 nan 8.310 nan 0.000 0.497 359 H N 2.006 121.084 119.070 0.012 0.000 2.422 359 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 359 H C 2.026 177.344 175.328 -0.016 0.000 1.098 359 H CA 2.067 58.106 56.048 -0.014 0.000 1.315 359 H CB -1.093 28.646 29.762 -0.039 0.000 1.382 359 H HN 0.346 nan 8.280 nan 0.000 0.523 360 T N -3.338 110.852 114.554 -0.606 0.000 2.915 360 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 360 T C 1.633 176.146 174.700 -0.311 0.000 1.071 360 T CA 0.984 62.805 62.100 -0.465 0.000 1.132 360 T CB -0.618 67.842 68.868 -0.679 0.000 0.878 360 T HN 0.598 nan 8.240 nan 0.000 0.479 361 W N 0.608 121.869 121.300 -0.065 0.000 2.640 361 W HA 0.451 5.111 4.660 -0.000 0.000 0.268 361 W C 2.010 178.543 176.519 0.023 0.000 1.263 361 W CA -0.528 56.808 57.345 -0.015 0.000 1.344 361 W CB -0.023 29.417 29.460 -0.033 0.000 1.093 361 W HN 0.171 nan 8.180 nan 0.000 0.603 362 L N -0.641 120.712 121.223 0.217 0.000 2.341 362 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 362 L C 1.398 178.335 176.870 0.111 0.000 1.115 362 L CA 0.319 55.246 54.840 0.145 0.000 0.820 362 L CB -0.740 41.346 42.059 0.045 0.000 0.944 362 L HN -0.021 nan 8.230 nan 0.000 0.452 363 H N 0.994 120.087 119.070 0.037 0.000 3.107 363 H HA -0.008 4.548 4.556 -0.000 0.000 0.301 363 H C 1.068 176.430 175.328 0.057 0.000 0.981 363 H CA 1.137 57.196 56.048 0.019 0.000 1.443 363 H CB 0.703 30.489 29.762 0.040 0.000 1.479 363 H HN 0.359 nan 8.280 nan 0.000 0.564 364 G N 4.861 113.337 108.800 -0.541 0.000 2.168 364 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 364 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 364 G C 0.235 175.097 174.900 -0.063 0.000 0.977 364 G CA 0.161 45.095 45.100 -0.277 0.000 0.659 364 G HN 0.541 nan 8.290 nan 0.000 0.533 365 K N 0.775 121.177 120.400 0.004 0.000 2.368 365 K HA 0.320 4.640 4.320 -0.000 0.000 0.282 365 K C 0.883 177.460 176.600 -0.039 0.000 1.035 365 K CA -0.074 56.211 56.287 -0.004 0.000 0.973 365 K CB 0.611 33.156 32.500 0.074 0.000 0.957 365 K HN 0.477 nan 8.250 nan 0.000 0.474 366 R N 2.520 122.907 120.500 -0.189 0.000 2.312 366 R HA 0.427 4.767 4.340 -0.000 0.000 0.311 366 R C -0.498 175.628 176.300 -0.290 0.000 1.004 366 R CA -0.442 55.589 56.100 -0.115 0.000 0.902 366 R CB 0.620 30.873 30.300 -0.079 0.000 1.073 366 R HN 0.304 nan 8.270 nan 0.000 0.457 367 F N 0.586 120.578 119.950 0.071 0.000 2.551 367 F HA 0.587 5.113 4.527 -0.000 0.000 0.316 367 F C 0.013 175.896 175.800 0.138 0.000 1.089 367 F CA -0.999 57.075 58.000 0.123 0.000 0.915 367 F CB 2.091 41.145 39.000 0.090 0.000 1.186 367 F HN 0.496 nan 8.300 nan 0.000 0.456 368 A N 3.325 126.388 122.820 0.404 0.000 2.318 368 A HA 0.929 5.249 4.320 -0.000 0.000 0.324 368 A C -1.387 176.470 177.584 0.456 0.000 1.170 368 A CA -0.550 51.749 52.037 0.436 0.000 0.810 368 A CB 0.823 20.092 19.000 0.449 0.000 1.198 368 A HN 0.792 nan 8.150 nan 0.000 0.484 369 L N -0.903 120.589 121.223 0.449 0.000 2.465 369 L HA 1.046 5.386 4.340 -0.000 0.000 0.257 369 L C -0.968 176.216 176.870 0.523 0.000 0.988 369 L CA -0.736 54.323 54.840 0.365 0.000 0.827 369 L CB 1.067 43.214 42.059 0.147 0.000 1.397 369 L HN 0.979 nan 8.230 nan 0.000 0.410 370 W N 0.240 121.679 121.300 0.231 0.000 3.074 370 W HA 0.982 5.642 4.660 -0.000 0.000 0.332 370 W C -0.314 176.397 176.519 0.321 0.000 1.253 370 W CA -0.237 57.255 57.345 0.245 0.000 1.180 370 W CB 0.914 30.502 29.460 0.212 0.000 1.445 370 W HN 1.093 nan 8.180 nan 0.000 0.573 371 G N 0.222 109.331 108.800 0.514 0.000 2.368 371 G HA2 0.194 4.154 3.960 -0.000 0.000 0.269 371 G HA3 0.194 4.154 3.960 -0.000 0.000 0.269 371 G C -1.696 173.423 174.900 0.365 0.000 1.291 371 G CA -0.830 44.552 45.100 0.470 0.000 0.903 371 G HN 0.604 nan 8.290 nan 0.000 0.483 372 D N 0.938 121.546 120.400 0.348 0.000 2.329 372 D HA 0.392 5.032 4.640 -0.000 0.000 0.246 372 D C -1.222 175.138 176.300 0.100 0.000 1.111 372 D CA -1.139 52.954 54.000 0.155 0.000 0.941 372 D CB 1.624 42.491 40.800 0.112 0.000 1.169 372 D HN -0.067 nan 8.370 nan 0.000 0.441 373 P HA -0.187 nan 4.420 nan 0.000 0.214 373 P C 0.775 178.197 177.300 0.204 0.000 1.172 373 P CA 1.447 64.295 63.100 -0.421 0.000 0.925 373 P CB 0.261 31.605 31.700 -0.594 0.000 0.793 374 D N -1.893 118.694 120.400 0.312 0.000 2.144 374 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 374 D C 1.850 178.372 176.300 0.370 0.000 0.984 374 D CA 0.948 55.184 54.000 0.393 0.000 0.834 374 D CB -0.551 40.436 40.800 0.312 0.000 0.955 374 D HN 0.147 nan 8.370 nan 0.000 0.465 375 F N 2.185 122.260 119.950 0.208 0.000 2.084 375 F HA -0.185 4.342 4.527 -0.000 0.000 0.296 375 F C 2.225 178.145 175.800 0.199 0.000 1.111 375 F CA 0.935 59.039 58.000 0.174 0.000 1.224 375 F CB -0.627 38.463 39.000 0.151 0.000 0.991 375 F HN -0.273 nan 8.300 nan 0.000 0.471 376 V N 1.338 121.252 119.914 0.001 0.000 2.287 376 V HA -0.386 3.734 4.120 -0.000 0.000 0.248 376 V C 2.628 178.761 176.094 0.065 0.000 1.053 376 V CA 2.426 64.700 62.300 -0.043 0.000 1.027 376 V CB -0.747 31.247 31.823 0.285 0.000 0.646 376 V HN 0.594 nan 8.190 nan 0.000 0.447 377 M N 0.247 120.023 119.600 0.294 0.000 2.159 377 M HA -0.090 4.389 4.480 -0.000 0.000 0.263 377 M C 1.983 178.423 176.300 0.233 0.000 1.063 377 M CA 2.207 57.666 55.300 0.265 0.000 1.110 377 M CB -0.513 32.310 32.600 0.372 0.000 1.374 377 M HN 0.386 nan 8.290 nan 0.000 0.411 378 G N 0.627 109.585 108.800 0.263 0.000 2.408 378 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 378 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 378 G C 1.465 176.318 174.900 -0.077 0.000 1.150 378 G CA 0.522 45.742 45.100 0.199 0.000 0.776 378 G HN 0.441 nan 8.290 nan 0.000 0.542 379 L N 0.243 121.344 121.223 -0.203 0.000 2.027 379 L HA -0.084 4.255 4.340 -0.000 0.000 0.206 379 L C 3.051 179.823 176.870 -0.164 0.000 1.074 379 L CA 0.703 55.401 54.840 -0.236 0.000 0.745 379 L CB -0.298 41.493 42.059 -0.447 0.000 0.898 379 L HN 0.114 nan 8.230 nan 0.000 0.433 380 V N 0.119 119.948 119.914 -0.141 0.000 2.282 380 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 380 V C 2.520 178.510 176.094 -0.173 0.000 1.057 380 V CA 2.139 64.367 62.300 -0.121 0.000 1.032 380 V CB -0.600 31.180 31.823 -0.073 0.000 0.645 380 V HN 0.402 nan 8.190 nan 0.000 0.447 381 K N 0.031 120.277 120.400 -0.257 0.000 2.032 381 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 381 K C 1.939 178.374 176.600 -0.275 0.000 1.048 381 K CA 1.801 57.829 56.287 -0.432 0.000 0.927 381 K CB -0.669 31.184 32.500 -1.077 0.000 0.712 381 K HN 0.330 nan 8.250 nan 0.000 0.441 382 F N 0.468 120.194 119.950 -0.373 0.000 2.102 382 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 382 F C 1.684 177.331 175.800 -0.256 0.000 1.105 382 F CA 0.940 58.768 58.000 -0.286 0.000 1.239 382 F CB -0.639 38.217 39.000 -0.239 0.000 0.991 382 F HN 0.024 nan 8.300 nan 0.000 0.474 383 L N 0.209 121.242 121.223 -0.316 0.000 2.043 383 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 383 L C 2.388 179.041 176.870 -0.362 0.000 1.075 383 L CA 1.673 56.261 54.840 -0.420 0.000 0.752 383 L CB -1.265 40.593 42.059 -0.336 0.000 0.891 383 L HN 0.192 nan 8.230 nan 0.000 0.432 384 L N -1.155 119.914 121.223 -0.257 0.000 2.056 384 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 384 L C 2.345 179.056 176.870 -0.265 0.000 1.078 384 L CA 1.182 55.904 54.840 -0.196 0.000 0.749 384 L CB -0.568 41.438 42.059 -0.089 0.000 0.901 384 L HN 0.325 nan 8.230 nan 0.000 0.433 385 E N 0.195 120.242 120.200 -0.255 0.000 2.265 385 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 385 E C 1.964 178.378 176.600 -0.310 0.000 0.996 385 E CA 0.863 57.133 56.400 -0.217 0.000 0.832 385 E CB -0.069 29.557 29.700 -0.123 0.000 0.756 385 E HN 0.525 nan 8.360 nan 0.000 0.491 386 L N -0.390 120.557 121.223 -0.460 0.000 2.592 386 L HA 0.172 4.512 4.340 -0.000 0.000 0.227 386 L C 1.320 177.948 176.870 -0.405 0.000 1.127 386 L CA 0.254 54.831 54.840 -0.439 0.000 0.884 386 L CB 0.118 41.830 42.059 -0.579 0.000 1.065 386 L HN 0.263 nan 8.230 nan 0.000 0.457 387 G N -0.593 107.828 108.800 -0.632 0.000 2.143 387 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.249 387 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.249 387 G C 0.285 174.689 174.900 -0.826 0.000 0.981 387 G CA 0.041 44.475 45.100 -1.110 0.000 0.665 387 G HN 0.346 nan 8.290 nan 0.000 0.528 388 C N 0.346 119.372 119.300 -0.457 0.000 2.443 388 C HA 0.574 5.034 4.460 -0.000 0.000 0.369 388 C C 0.843 175.803 174.990 -0.051 0.000 1.241 388 C CA -0.439 58.489 59.018 -0.151 0.000 2.413 388 C CB 1.134 28.849 27.740 -0.042 0.000 2.451 388 C HN 0.514 nan 8.230 nan 0.000 0.595 389 E N 2.989 123.242 120.200 0.088 0.000 2.035 389 E HA 0.226 4.576 4.350 -0.000 0.000 0.271 389 E C -2.293 174.394 176.600 0.145 0.000 0.953 389 E CA -1.283 55.177 56.400 0.100 0.000 0.777 389 E CB 0.927 30.664 29.700 0.061 0.000 1.104 389 E HN 0.465 nan 8.360 nan 0.000 0.408 390 P HA -0.021 nan 4.420 nan 0.000 0.281 390 P C 0.495 177.816 177.300 0.036 0.000 1.252 390 P CA -0.020 63.144 63.100 0.106 0.000 0.778 390 P CB 1.516 33.244 31.700 0.047 0.000 0.895 391 V N 0.719 120.629 119.914 -0.007 0.000 3.013 391 V HA 0.280 4.400 4.120 -0.000 0.000 0.238 391 V C 0.424 176.378 176.094 -0.232 0.000 1.161 391 V CA 0.719 62.897 62.300 -0.205 0.000 1.170 391 V CB -0.766 30.815 31.823 -0.403 0.000 0.917 391 V HN 0.441 nan 8.190 nan 0.000 0.478 392 H N 1.323 120.526 119.070 0.221 0.000 2.685 392 H HA 0.629 5.184 4.556 -0.000 0.000 0.307 392 H C -1.038 174.487 175.328 0.329 0.000 1.017 392 H CA -0.700 55.536 56.048 0.314 0.000 1.237 392 H CB 1.505 31.422 29.762 0.258 0.000 1.409 392 H HN 0.338 nan 8.280 nan 0.000 0.488 393 I N 4.696 125.527 120.570 0.434 0.000 2.328 393 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 393 I C -0.290 176.113 176.117 0.478 0.000 1.012 393 I CA -0.244 61.281 61.300 0.374 0.000 1.195 393 I CB 1.539 39.677 38.000 0.229 0.000 1.350 393 I HN 0.247 nan 8.210 nan 0.000 0.464 394 L N 7.108 128.619 121.223 0.480 0.000 2.341 394 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 394 L C -1.171 175.935 176.870 0.393 0.000 1.005 394 L CA -0.328 54.773 54.840 0.435 0.000 0.818 394 L CB 1.719 43.966 42.059 0.314 0.000 1.259 394 L HN 0.729 nan 8.230 nan 0.000 0.418 395 C N 3.888 123.366 119.300 0.297 0.000 2.654 395 C HA 0.291 4.750 4.460 -0.000 0.000 0.315 395 C C 1.249 176.315 174.990 0.126 0.000 1.054 395 C CA -0.498 58.593 59.018 0.121 0.000 1.419 395 C CB -0.089 27.467 27.740 -0.306 0.000 1.889 395 C HN 1.095 nan 8.230 nan 0.000 0.447 396 H N 3.471 122.578 119.070 0.061 0.000 2.387 396 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 396 H C 1.505 176.830 175.328 -0.005 0.000 1.099 396 H CA 2.033 58.103 56.048 0.037 0.000 1.315 396 H CB 0.350 30.140 29.762 0.045 0.000 1.380 396 H HN 0.875 nan 8.280 nan 0.000 0.513 397 N N 0.090 118.809 118.700 0.032 0.000 2.376 397 N HA 0.116 4.856 4.740 -0.000 0.000 0.249 397 N C 0.347 175.765 175.510 -0.153 0.000 1.140 397 N CA -0.171 52.828 53.050 -0.085 0.000 0.870 397 N CB 0.948 39.359 38.487 -0.127 0.000 1.124 397 N HN 0.089 nan 8.380 nan 0.000 0.505 398 G N 0.822 109.513 108.800 -0.182 0.000 2.502 398 G HA2 0.348 4.308 3.960 -0.000 0.000 0.305 398 G HA3 0.348 4.308 3.960 -0.000 0.000 0.305 398 G C -0.432 174.454 174.900 -0.023 0.000 1.190 398 G CA -0.586 44.328 45.100 -0.311 0.000 0.933 398 G HN 0.513 nan 8.290 nan 0.000 0.503 399 N N -1.978 116.769 118.700 0.078 0.000 2.469 399 N HA 0.292 5.032 4.740 -0.000 0.000 0.286 399 N C 0.640 176.269 175.510 0.197 0.000 1.275 399 N CA -1.001 52.136 53.050 0.146 0.000 0.790 399 N CB 1.751 40.331 38.487 0.155 0.000 1.446 399 N HN 0.342 nan 8.380 nan 0.000 0.501 400 K N -0.042 120.450 120.400 0.154 0.000 2.074 400 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 400 K C 1.575 178.246 176.600 0.118 0.000 1.048 400 K CA 1.527 57.889 56.287 0.124 0.000 0.926 400 K CB -0.168 32.392 32.500 0.101 0.000 0.713 400 K HN 0.437 nan 8.250 nan 0.000 0.444 401 R N -0.447 120.158 120.500 0.174 0.000 2.075 401 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 401 R C 2.064 178.402 176.300 0.063 0.000 1.126 401 R CA 1.663 57.896 56.100 0.222 0.000 0.963 401 R CB -0.351 30.195 30.300 0.410 0.000 0.858 401 R HN 0.389 nan 8.270 nan 0.000 0.435 402 W N 2.193 123.250 121.300 -0.405 0.000 2.381 402 W HA -0.152 4.508 4.660 -0.000 0.000 0.301 402 W C 2.036 178.258 176.519 -0.494 0.000 1.205 402 W CA 1.237 57.948 57.345 -1.057 0.000 1.285 402 W CB -0.006 28.877 29.460 -0.963 0.000 1.133 402 W HN -0.102 nan 8.180 nan 0.000 0.521 403 K N 0.933 121.243 120.400 -0.150 0.000 2.057 403 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 403 K C 2.260 178.675 176.600 -0.309 0.000 1.049 403 K CA 1.831 57.954 56.287 -0.274 0.000 0.931 403 K CB -0.454 32.056 32.500 0.017 0.000 0.714 403 K HN 0.098 nan 8.250 nan 0.000 0.440 404 K N 0.018 120.318 120.400 -0.166 0.000 2.063 404 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 404 K C 1.949 178.462 176.600 -0.144 0.000 1.048 404 K CA 1.345 57.569 56.287 -0.106 0.000 0.928 404 K CB -0.161 32.331 32.500 -0.013 0.000 0.713 404 K HN 0.248 nan 8.250 nan 0.000 0.442 405 A N 0.431 123.130 122.820 -0.202 0.000 1.930 405 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 405 A C 2.185 179.612 177.584 -0.261 0.000 1.175 405 A CA 1.356 53.300 52.037 -0.154 0.000 0.627 405 A CB -0.422 18.549 19.000 -0.049 0.000 0.815 405 A HN 0.167 nan 8.150 nan 0.000 0.443 406 V N 0.582 120.169 119.914 -0.544 0.000 2.427 406 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 406 V C 2.086 178.011 176.094 -0.282 0.000 1.051 406 V CA 2.120 64.119 62.300 -0.502 0.000 1.048 406 V CB -0.729 30.565 31.823 -0.881 0.000 0.666 406 V HN 0.495 nan 8.190 nan 0.000 0.456 407 D N 0.519 120.766 120.400 -0.255 0.000 2.144 407 D HA -0.133 4.506 4.640 -0.000 0.000 0.199 407 D C 2.243 178.482 176.300 -0.101 0.000 0.984 407 D CA 1.631 55.537 54.000 -0.157 0.000 0.834 407 D CB -0.115 40.605 40.800 -0.134 0.000 0.955 407 D HN 0.452 nan 8.370 nan 0.000 0.465 408 A N 0.882 123.652 122.820 -0.084 0.000 1.902 408 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 408 A C 2.374 179.948 177.584 -0.018 0.000 1.181 408 A CA 0.803 52.819 52.037 -0.035 0.000 0.623 408 A CB -0.666 18.329 19.000 -0.009 0.000 0.818 408 A HN 0.176 nan 8.150 nan 0.000 0.443 409 I N -0.461 120.098 120.570 -0.019 0.000 2.226 409 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 409 I C 2.335 178.436 176.117 -0.027 0.000 1.100 409 I CA 1.148 62.453 61.300 0.008 0.000 1.374 409 I CB -0.280 37.734 38.000 0.025 0.000 1.057 409 I HN 0.292 nan 8.210 nan 0.000 0.413 410 L N 0.298 121.488 121.223 -0.055 0.000 2.093 410 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 410 L C 2.770 179.616 176.870 -0.040 0.000 1.085 410 L CA 1.232 56.041 54.840 -0.051 0.000 0.755 410 L CB -0.654 41.363 42.059 -0.070 0.000 0.904 410 L HN 0.217 nan 8.230 nan 0.000 0.435 411 A N -0.035 122.761 122.820 -0.041 0.000 1.969 411 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 411 A C 2.330 179.898 177.584 -0.026 0.000 1.169 411 A CA 1.395 53.410 52.037 -0.035 0.000 0.635 411 A CB -0.574 18.407 19.000 -0.033 0.000 0.810 411 A HN 0.368 nan 8.150 nan 0.000 0.445 412 A N -1.052 121.760 122.820 -0.014 0.000 2.239 412 A HA 0.366 4.686 4.320 -0.000 0.000 0.209 412 A C 1.035 178.615 177.584 -0.008 0.000 1.171 412 A CA 0.953 52.987 52.037 -0.004 0.000 0.768 412 A CB -0.404 18.604 19.000 0.014 0.000 0.790 412 A HN 0.513 nan 8.150 nan 0.000 0.478 413 S N -1.258 114.433 115.700 -0.016 0.000 2.547 413 S HA 0.551 5.020 4.470 -0.000 0.000 0.281 413 S C -2.490 172.067 174.600 -0.071 0.000 1.118 413 S CA -1.226 56.968 58.200 -0.010 0.000 0.947 413 S CB 1.636 64.866 63.200 0.049 0.000 1.053 413 S HN -0.014 nan 8.310 nan 0.000 0.482 414 P HA 0.003 nan 4.420 nan 0.000 0.222 414 P C 0.143 177.215 177.300 -0.380 0.000 1.147 414 P CA 0.906 63.818 63.100 -0.313 0.000 0.790 414 P CB -0.057 31.368 31.700 -0.458 0.000 0.780 415 Y N -1.331 118.941 120.300 -0.047 0.000 2.529 415 Y HA 0.237 4.787 4.550 -0.000 0.000 0.290 415 Y C 2.245 178.109 175.900 -0.060 0.000 1.177 415 Y CA 0.639 58.703 58.100 -0.060 0.000 1.305 415 Y CB -0.749 37.667 38.460 -0.074 0.000 1.047 415 Y HN -0.049 nan 8.280 nan 0.000 0.522 416 G N -0.779 108.036 108.800 0.025 0.000 3.393 416 G HA2 0.022 3.982 3.960 -0.000 0.000 0.255 416 G HA3 0.022 3.982 3.960 -0.000 0.000 0.255 416 G C 1.323 176.204 174.900 -0.031 0.000 1.097 416 G CA -0.258 44.840 45.100 -0.002 0.000 0.780 416 G HN 0.251 nan 8.290 nan 0.000 0.540 417 K N 0.923 121.297 120.400 -0.043 0.000 2.103 417 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 417 K C 1.204 177.778 176.600 -0.043 0.000 1.048 417 K CA 0.981 57.239 56.287 -0.049 0.000 0.930 417 K CB 0.015 32.480 32.500 -0.058 0.000 0.716 417 K HN 0.132 nan 8.250 nan 0.000 0.444 418 N N 0.557 119.234 118.700 -0.038 0.000 2.314 418 N HA 0.077 4.817 4.740 -0.000 0.000 0.200 418 N C -0.360 175.116 175.510 -0.055 0.000 1.135 418 N CA 0.081 53.106 53.050 -0.042 0.000 0.835 418 N CB 0.611 39.075 38.487 -0.039 0.000 0.989 418 N HN 0.100 nan 8.380 nan 0.000 0.478 419 A N 0.456 123.245 122.820 -0.050 0.000 2.327 419 A HA 0.576 4.896 4.320 -0.000 0.000 0.283 419 A C 0.120 177.662 177.584 -0.070 0.000 1.127 419 A CA 0.057 52.063 52.037 -0.052 0.000 0.810 419 A CB 0.637 19.614 19.000 -0.038 0.000 1.066 419 A HN 0.028 nan 8.150 nan 0.000 0.492 420 T N 1.653 116.167 114.554 -0.067 0.000 2.881 420 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 420 T C -0.732 173.808 174.700 -0.266 0.000 1.000 420 T CA -0.315 61.663 62.100 -0.203 0.000 0.978 420 T CB 1.370 70.085 68.868 -0.256 0.000 0.997 420 T HN 0.435 nan 8.240 nan 0.000 0.443 421 V N 4.344 124.068 119.914 -0.317 0.000 2.383 421 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 421 V C -1.097 174.845 176.094 -0.253 0.000 1.036 421 V CA -0.686 61.514 62.300 -0.167 0.000 0.889 421 V CB 0.275 32.017 31.823 -0.134 0.000 0.985 421 V HN 0.791 nan 8.190 nan 0.000 0.459 422 Y N 5.428 125.843 120.300 0.191 0.000 2.352 422 Y HA 0.716 5.266 4.550 -0.000 0.000 0.339 422 Y C 0.308 176.322 175.900 0.190 0.000 0.992 422 Y CA -0.845 57.356 58.100 0.169 0.000 1.100 422 Y CB 1.639 40.196 38.460 0.161 0.000 1.192 422 Y HN 0.630 nan 8.280 nan 0.000 0.458 423 I N -1.304 119.437 120.570 0.285 0.000 2.740 423 I HA 0.879 5.049 4.170 -0.000 0.000 0.303 423 I C 0.803 177.013 176.117 0.156 0.000 1.044 423 I CA -1.016 60.417 61.300 0.221 0.000 1.064 423 I CB 2.227 40.356 38.000 0.214 0.000 1.249 423 I HN 0.725 nan 8.210 nan 0.000 0.433 424 G N 2.641 111.543 108.800 0.170 0.000 2.155 424 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 424 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 424 G C 0.029 174.921 174.900 -0.014 0.000 0.983 424 G CA 0.131 45.335 45.100 0.174 0.000 0.676 424 G HN 0.644 nan 8.290 nan 0.000 0.528 425 K N 0.701 121.017 120.400 -0.140 0.000 2.166 425 K HA 0.625 4.945 4.320 -0.000 0.000 0.245 425 K C 0.159 176.471 176.600 -0.479 0.000 0.967 425 K CA -0.177 55.900 56.287 -0.350 0.000 0.863 425 K CB 1.722 33.971 32.500 -0.418 0.000 1.107 425 K HN 0.428 nan 8.250 nan 0.000 0.436 426 D N -1.141 119.119 120.400 -0.233 0.000 2.650 426 D HA 0.245 4.885 4.640 -0.000 0.000 0.255 426 D C 1.028 177.193 176.300 -0.224 0.000 1.135 426 D CA -0.739 53.044 54.000 -0.362 0.000 1.099 426 D CB 0.359 40.978 40.800 -0.302 0.000 1.273 426 D HN 0.249 nan 8.370 nan 0.000 0.628 427 L N -0.924 120.158 121.223 -0.235 0.000 2.465 427 L HA 0.062 4.402 4.340 -0.000 0.000 0.224 427 L C 1.588 178.371 176.870 -0.145 0.000 1.145 427 L CA 0.264 54.940 54.840 -0.274 0.000 0.834 427 L CB -0.246 41.638 42.059 -0.291 0.000 0.944 427 L HN 0.469 nan 8.230 nan 0.000 0.451 428 W N 0.494 121.621 121.300 -0.288 0.000 2.658 428 W HA -0.079 4.581 4.660 -0.000 0.000 0.263 428 W C 2.027 178.353 176.519 -0.322 0.000 1.274 428 W CA 0.832 58.015 57.345 -0.271 0.000 1.343 428 W CB 0.065 29.339 29.460 -0.310 0.000 1.106 428 W HN 0.300 nan 8.180 nan 0.000 0.615 429 H N -0.124 118.764 119.070 -0.303 0.000 2.307 429 H HA -0.183 4.373 4.556 -0.000 0.000 0.303 429 H C 2.129 177.245 175.328 -0.353 0.000 1.073 429 H CA 2.005 57.748 56.048 -0.508 0.000 1.338 429 H CB -0.489 28.848 29.762 -0.709 0.000 1.389 429 H HN -0.010 nan 8.280 nan 0.000 0.503 430 L N 1.243 122.344 121.223 -0.205 0.000 2.127 430 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 430 L C 2.412 179.122 176.870 -0.267 0.000 1.089 430 L CA 1.485 56.183 54.840 -0.237 0.000 0.757 430 L CB -0.455 41.434 42.059 -0.283 0.000 0.899 430 L HN 0.127 nan 8.230 nan 0.000 0.434 431 R N -1.067 119.237 120.500 -0.327 0.000 2.094 431 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 431 R C 2.263 178.419 176.300 -0.239 0.000 1.137 431 R CA 1.984 57.867 56.100 -0.361 0.000 0.943 431 R CB -0.401 29.531 30.300 -0.613 0.000 0.850 431 R HN 0.432 nan 8.270 nan 0.000 0.433 432 S N 0.890 116.450 115.700 -0.232 0.000 2.370 432 S HA -0.103 4.366 4.470 -0.000 0.000 0.226 432 S C 1.891 176.459 174.600 -0.054 0.000 1.033 432 S CA 1.359 59.523 58.200 -0.059 0.000 1.011 432 S CB -0.210 62.996 63.200 0.011 0.000 0.852 432 S HN 0.302 nan 8.310 nan 0.000 0.457 433 L N 1.459 122.584 121.223 -0.164 0.000 2.079 433 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 433 L C 2.319 178.970 176.870 -0.365 0.000 1.081 433 L CA 1.109 55.720 54.840 -0.380 0.000 0.752 433 L CB -0.860 40.779 42.059 -0.701 0.000 0.896 433 L HN 0.346 nan 8.230 nan 0.000 0.433 434 V N -5.467 114.280 119.914 -0.279 0.000 3.510 434 V HA -0.053 4.067 4.120 -0.000 0.000 0.270 434 V C 1.864 177.821 176.094 -0.229 0.000 1.201 434 V CA 0.848 63.021 62.300 -0.212 0.000 1.166 434 V CB -0.622 31.061 31.823 -0.233 0.000 0.825 434 V HN 0.144 nan 8.190 nan 0.000 0.484 435 F N 2.191 122.072 119.950 -0.115 0.000 2.343 435 F HA 0.110 4.637 4.527 -0.000 0.000 0.286 435 F C 2.799 178.548 175.800 -0.086 0.000 1.057 435 F CA 1.637 59.567 58.000 -0.117 0.000 1.365 435 F CB -0.716 38.157 39.000 -0.212 0.000 1.114 435 F HN 0.285 nan 8.300 nan 0.000 0.545 436 T N -3.100 111.520 114.554 0.110 0.000 2.942 436 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 436 T C 0.623 175.367 174.700 0.073 0.000 1.062 436 T CA 1.317 63.448 62.100 0.052 0.000 1.139 436 T CB -0.147 68.722 68.868 0.002 0.000 0.883 436 T HN 0.018 nan 8.240 nan 0.000 0.468 437 D N 0.893 121.354 120.400 0.102 0.000 2.552 437 D HA 0.217 4.857 4.640 -0.000 0.000 0.285 437 D C -0.692 175.748 176.300 0.234 0.000 1.206 437 D CA -0.543 53.565 54.000 0.181 0.000 0.826 437 D CB 0.363 41.335 40.800 0.286 0.000 1.179 437 D HN 0.312 nan 8.370 nan 0.000 0.508 438 K N 2.739 123.220 120.400 0.135 0.000 2.453 438 K HA 0.089 4.409 4.320 -0.000 0.000 0.280 438 K C -2.117 174.518 176.600 0.058 0.000 1.045 438 K CA -0.645 55.696 56.287 0.090 0.000 1.059 438 K CB 0.583 33.133 32.500 0.084 0.000 0.901 438 K HN 0.236 nan 8.250 nan 0.000 0.475 439 P HA 0.176 nan 4.420 nan 0.000 0.301 439 P C -0.475 176.740 177.300 -0.141 0.000 1.309 439 P CA -0.383 62.707 63.100 -0.018 0.000 0.782 439 P CB 0.854 32.596 31.700 0.070 0.000 1.282 440 D N -1.388 118.862 120.400 -0.249 0.000 2.216 440 D HA 0.135 4.774 4.640 -0.000 0.000 0.208 440 D C 0.228 176.040 176.300 -0.814 0.000 0.960 440 D CA 1.429 55.160 54.000 -0.448 0.000 0.861 440 D CB 0.121 40.736 40.800 -0.308 0.000 0.985 440 D HN 0.268 nan 8.370 nan 0.000 0.493 441 F N -0.456 119.323 119.950 -0.285 0.000 2.685 441 F HA 0.387 4.914 4.527 -0.000 0.000 0.315 441 F C -0.468 175.379 175.800 0.077 0.000 1.126 441 F CA -1.286 56.655 58.000 -0.099 0.000 0.950 441 F CB 1.403 40.366 39.000 -0.063 0.000 1.360 441 F HN -0.352 nan 8.300 nan 0.000 0.469 442 M N 1.859 121.688 119.600 0.381 0.000 2.395 442 M HA 0.733 5.213 4.480 -0.000 0.000 0.307 442 M C -1.907 174.559 176.300 0.277 0.000 1.091 442 M CA -0.527 55.001 55.300 0.379 0.000 0.919 442 M CB 2.538 35.396 32.600 0.430 0.000 1.662 442 M HN 0.480 nan 8.290 nan 0.000 0.440 443 I N 2.964 123.626 120.570 0.153 0.000 2.330 443 I HA 0.840 5.010 4.170 -0.000 0.000 0.289 443 I C 0.255 176.073 176.117 -0.498 0.000 1.001 443 I CA -0.255 61.009 61.300 -0.059 0.000 1.193 443 I CB 1.469 39.457 38.000 -0.020 0.000 1.345 443 I HN 1.054 nan 8.210 nan 0.000 0.461 444 G N 4.756 113.146 108.800 -0.684 0.000 2.494 444 G HA2 0.231 4.191 3.960 -0.000 0.000 0.308 444 G HA3 0.231 4.191 3.960 -0.000 0.000 0.308 444 G C -1.492 173.085 174.900 -0.539 0.000 1.263 444 G CA -0.675 43.635 45.100 -1.317 0.000 0.840 444 G HN 0.577 nan 8.290 nan 0.000 0.479 445 N N -0.838 117.692 118.700 -0.284 0.000 2.476 445 N HA 0.370 5.110 4.740 -0.000 0.000 0.287 445 N C 1.238 176.747 175.510 -0.001 0.000 1.262 445 N CA 0.324 53.328 53.050 -0.076 0.000 0.980 445 N CB 0.545 39.001 38.487 -0.052 0.000 1.163 445 N HN 0.249 nan 8.380 nan 0.000 0.592 446 S N -1.492 114.067 115.700 -0.234 0.000 2.419 446 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 446 S C 1.212 175.678 174.600 -0.224 0.000 1.019 446 S CA 0.927 58.960 58.200 -0.279 0.000 0.982 446 S CB -0.777 62.166 63.200 -0.428 0.000 0.789 446 S HN 0.500 nan 8.310 nan 0.000 0.490 447 Y N 1.433 121.770 120.300 0.063 0.000 2.403 447 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 447 Y C 2.490 178.455 175.900 0.109 0.000 1.143 447 Y CA 0.341 58.509 58.100 0.112 0.000 1.257 447 Y CB -1.070 37.515 38.460 0.208 0.000 0.984 447 Y HN 0.323 nan 8.280 nan 0.000 0.550 448 G N 0.524 109.574 108.800 0.417 0.000 2.509 448 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 448 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 448 G C 1.714 176.702 174.900 0.147 0.000 1.124 448 G CA 0.822 46.183 45.100 0.435 0.000 0.776 448 G HN 0.538 nan 8.290 nan 0.000 0.547 449 K N -0.352 119.999 120.400 -0.081 0.000 2.147 449 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 449 K C 1.806 178.316 176.600 -0.151 0.000 1.049 449 K CA 1.105 57.276 56.287 -0.193 0.000 0.936 449 K CB -0.451 31.827 32.500 -0.371 0.000 0.722 449 K HN 0.220 nan 8.250 nan 0.000 0.446 450 F N 1.685 121.722 119.950 0.146 0.000 2.325 450 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 450 F C 2.034 177.903 175.800 0.115 0.000 1.090 450 F CA 0.223 58.304 58.000 0.134 0.000 1.392 450 F CB -0.342 38.755 39.000 0.162 0.000 1.053 450 F HN -0.064 nan 8.300 nan 0.000 0.521 451 I N -0.499 120.196 120.570 0.209 0.000 2.353 451 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 451 I C 2.535 178.678 176.117 0.044 0.000 1.119 451 I CA 1.054 62.404 61.300 0.084 0.000 1.417 451 I CB -0.444 37.556 38.000 -0.001 0.000 1.078 451 I HN 0.170 nan 8.210 nan 0.000 0.421 452 Q N 1.295 121.135 119.800 0.066 0.000 2.167 452 Q HA -0.229 4.110 4.340 -0.000 0.000 0.202 452 Q C 2.396 178.445 176.000 0.081 0.000 0.970 452 Q CA 1.255 57.086 55.803 0.046 0.000 0.855 452 Q CB 0.004 28.771 28.738 0.049 0.000 0.911 452 Q HN 0.349 nan 8.270 nan 0.000 0.438 453 R N 0.155 120.730 120.500 0.125 0.000 2.081 453 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 453 R C 1.187 177.605 176.300 0.197 0.000 1.131 453 R CA 1.833 58.023 56.100 0.150 0.000 0.960 453 R CB -0.054 30.363 30.300 0.195 0.000 0.856 453 R HN 0.315 nan 8.270 nan 0.000 0.436 454 D N -0.091 120.459 120.400 0.250 0.000 2.097 454 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 454 D C 1.959 178.593 176.300 0.556 0.000 0.989 454 D CA 2.171 56.427 54.000 0.426 0.000 0.827 454 D CB -0.524 40.540 40.800 0.441 0.000 0.966 454 D HN 0.450 nan 8.370 nan 0.000 0.456 455 T N -0.260 114.430 114.554 0.227 0.000 2.788 455 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 455 T C 2.009 176.882 174.700 0.288 0.000 1.044 455 T CA 0.739 62.920 62.100 0.134 0.000 1.139 455 T CB -0.536 68.207 68.868 -0.208 0.000 0.867 455 T HN 0.061 nan 8.240 nan 0.000 0.454 456 L N 1.135 122.483 121.223 0.208 0.000 2.131 456 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 456 L C 2.383 179.388 176.870 0.225 0.000 1.092 456 L CA 1.859 56.810 54.840 0.184 0.000 0.759 456 L CB -1.221 40.911 42.059 0.122 0.000 0.903 456 L HN 0.396 nan 8.230 nan 0.000 0.435 457 H N -0.031 119.113 119.070 0.123 0.000 2.387 457 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 457 H C 2.305 177.651 175.328 0.029 0.000 1.090 457 H CA 2.253 58.288 56.048 -0.023 0.000 1.332 457 H CB 0.030 29.641 29.762 -0.252 0.000 1.386 457 H HN 0.406 nan 8.280 nan 0.000 0.516 458 K N -0.644 119.893 120.400 0.227 0.000 2.097 458 K HA 0.028 4.347 4.320 -0.000 0.000 0.205 458 K C 0.142 176.884 176.600 0.237 0.000 1.050 458 K CA 1.051 57.466 56.287 0.214 0.000 0.938 458 K CB 0.051 32.711 32.500 0.267 0.000 0.718 458 K HN 0.444 nan 8.250 nan 0.000 0.442 459 G N -0.431 108.602 108.800 0.388 0.000 2.404 459 G HA2 0.047 4.007 3.960 -0.000 0.000 0.298 459 G HA3 0.047 4.007 3.960 -0.000 0.000 0.298 459 G C -0.827 174.211 174.900 0.231 0.000 1.577 459 G CA -0.550 44.774 45.100 0.372 0.000 0.847 459 G HN -0.068 nan 8.290 nan 0.000 0.598 460 K N 0.659 121.107 120.400 0.080 0.000 2.063 460 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 460 K C 2.360 178.915 176.600 -0.075 0.000 1.048 460 K CA 2.397 58.690 56.287 0.010 0.000 0.928 460 K CB 0.046 32.538 32.500 -0.015 0.000 0.713 460 K HN 0.633 nan 8.250 nan 0.000 0.442 461 E N -0.587 119.485 120.200 -0.214 0.000 2.401 461 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 461 E C 0.908 177.195 176.600 -0.522 0.000 1.023 461 E CA 0.972 57.122 56.400 -0.418 0.000 0.859 461 E CB -0.287 29.056 29.700 -0.594 0.000 0.780 461 E HN 0.395 nan 8.360 nan 0.000 0.523 462 F N 1.260 121.216 119.950 0.010 0.000 2.704 462 F HA 0.242 4.769 4.527 -0.000 0.000 0.304 462 F C 1.059 176.838 175.800 -0.034 0.000 1.094 462 F CA -0.657 57.353 58.000 0.017 0.000 1.275 462 F CB 0.199 39.267 39.000 0.112 0.000 1.073 462 F HN -0.082 nan 8.300 nan 0.000 0.586 463 E N 1.796 122.051 120.200 0.093 0.000 2.414 463 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 463 E C -0.860 175.693 176.600 -0.078 0.000 1.000 463 E CA 0.003 56.415 56.400 0.020 0.000 0.914 463 E CB 0.850 30.558 29.700 0.013 0.000 0.948 463 E HN -0.066 nan 8.360 nan 0.000 0.444 464 V N 7.516 127.374 119.914 -0.094 0.000 2.304 464 V HA 0.263 4.383 4.120 -0.000 0.000 0.278 464 V C -2.224 173.825 176.094 -0.076 0.000 1.018 464 V CA -1.871 60.345 62.300 -0.141 0.000 0.814 464 V CB 1.094 32.847 31.823 -0.118 0.000 1.021 464 V HN 0.750 nan 8.190 nan 0.000 0.440 465 P HA 0.125 nan 4.420 nan 0.000 0.268 465 P C -0.568 176.843 177.300 0.185 0.000 1.205 465 P CA -0.213 62.919 63.100 0.054 0.000 0.771 465 P CB 0.668 32.432 31.700 0.106 0.000 0.858 466 L N 4.584 125.905 121.223 0.163 0.000 2.289 466 L HA 0.424 4.764 4.340 -0.000 0.000 0.285 466 L C -0.753 176.208 176.870 0.152 0.000 1.049 466 L CA -0.008 54.935 54.840 0.172 0.000 0.804 466 L CB 0.260 42.396 42.059 0.128 0.000 1.195 466 L HN 0.249 nan 8.230 nan 0.000 0.428 467 I N 5.505 126.160 120.570 0.142 0.000 2.337 467 I HA 0.353 4.523 4.170 -0.000 0.000 0.285 467 I C 0.095 176.223 176.117 0.019 0.000 1.041 467 I CA -0.617 60.730 61.300 0.080 0.000 1.199 467 I CB 0.841 38.890 38.000 0.082 0.000 1.370 467 I HN 0.571 nan 8.210 nan 0.000 0.470 468 R N 6.889 127.395 120.500 0.009 0.000 2.402 468 R HA 0.439 4.778 4.340 -0.000 0.000 0.331 468 R C -0.875 175.438 176.300 0.022 0.000 1.040 468 R CA 0.561 56.654 56.100 -0.012 0.000 0.980 468 R CB 0.074 30.366 30.300 -0.013 0.000 0.967 468 R HN 0.549 nan 8.270 nan 0.000 0.440 469 I N 2.762 123.345 120.570 0.021 0.000 2.599 469 I HA 0.444 4.614 4.170 -0.000 0.000 0.285 469 I C 0.266 176.429 176.117 0.077 0.000 1.168 469 I CA -0.537 60.840 61.300 0.129 0.000 1.060 469 I CB 2.057 40.166 38.000 0.180 0.000 1.249 469 I HN 0.834 nan 8.210 nan 0.000 0.442 470 G N 5.021 113.822 108.800 0.002 0.000 2.302 470 G HA2 0.227 4.186 3.960 -0.000 0.000 0.264 470 G HA3 0.227 4.186 3.960 -0.000 0.000 0.264 470 G C -2.251 172.544 174.900 -0.175 0.000 1.335 470 G CA -0.692 44.244 45.100 -0.274 0.000 0.982 470 G HN 0.440 nan 8.290 nan 0.000 0.473 471 F N 2.406 122.157 119.950 -0.333 0.000 2.574 471 F HA 0.790 5.317 4.527 -0.000 0.000 0.313 471 F C -2.396 173.230 175.800 -0.290 0.000 1.130 471 F CA -1.856 55.885 58.000 -0.432 0.000 0.936 471 F CB 2.783 41.545 39.000 -0.396 0.000 1.219 471 F HN 0.492 nan 8.300 nan 0.000 0.445 472 P HA 0.521 nan 4.420 nan 0.000 0.285 472 P C -1.204 175.471 177.300 -1.041 0.000 1.280 472 P CA -0.454 61.655 63.100 -1.652 0.000 0.862 472 P CB 2.692 32.935 31.700 -2.429 0.000 1.153 473 I N 1.872 122.064 120.570 -0.631 0.000 2.420 473 I HA 0.226 4.396 4.170 -0.000 0.000 0.282 473 I C 0.158 176.048 176.117 -0.379 0.000 1.019 473 I CA -0.432 60.609 61.300 -0.433 0.000 1.130 473 I CB 0.992 38.896 38.000 -0.161 0.000 1.262 473 I HN 0.168 nan 8.210 nan 0.000 0.454 474 F N 2.326 122.150 119.950 -0.210 0.000 2.694 474 F HA 0.042 4.569 4.527 -0.000 0.000 0.292 474 F C 1.849 177.588 175.800 -0.102 0.000 1.121 474 F CA -0.210 57.682 58.000 -0.180 0.000 1.352 474 F CB -0.090 38.785 39.000 -0.208 0.000 1.107 474 F HN 0.472 nan 8.300 nan 0.000 0.597 475 D N -0.613 119.830 120.400 0.072 0.000 2.342 475 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 475 D C 0.510 176.847 176.300 0.062 0.000 1.101 475 D CA 0.259 54.294 54.000 0.058 0.000 0.837 475 D CB 0.194 40.993 40.800 -0.001 0.000 0.938 475 D HN -0.031 nan 8.370 nan 0.000 0.508 476 R N -0.157 120.392 120.500 0.080 0.000 2.771 476 R HA 0.404 4.744 4.340 -0.000 0.000 0.274 476 R C -0.675 175.729 176.300 0.174 0.000 0.987 476 R CA -0.596 55.555 56.100 0.085 0.000 0.908 476 R CB 1.348 31.663 30.300 0.026 0.000 1.213 476 R HN 0.238 nan 8.270 nan 0.000 0.468 477 H N 0.558 119.552 119.070 -0.126 0.000 2.463 477 H HA 0.238 4.794 4.556 -0.000 0.000 0.332 477 H C -0.165 175.042 175.328 -0.202 0.000 1.127 477 H CA -0.426 55.454 56.048 -0.279 0.000 1.238 477 H CB 1.197 30.655 29.762 -0.506 0.000 1.478 477 H HN 0.777 nan 8.280 nan 0.000 0.499 478 H N 0.645 119.816 119.070 0.169 0.000 3.047 478 H HA -0.177 4.379 4.556 -0.000 0.000 0.263 478 H C 0.939 176.233 175.328 -0.056 0.000 1.168 478 H CA 0.310 56.395 56.048 0.061 0.000 1.152 478 H CB -1.117 28.670 29.762 0.042 0.000 1.278 478 H HN 0.567 nan 8.280 nan 0.000 0.339 479 L N 1.035 122.328 121.223 0.116 0.000 2.376 479 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 479 L C 2.693 179.658 176.870 0.159 0.000 1.133 479 L CA 1.171 56.076 54.840 0.107 0.000 0.816 479 L CB -0.465 41.662 42.059 0.113 0.000 0.933 479 L HN 0.612 nan 8.230 nan 0.000 0.449 480 H N 0.182 119.264 119.070 0.020 0.000 2.561 480 H HA -0.061 4.495 4.556 -0.000 0.000 0.278 480 H C 1.507 176.985 175.328 0.251 0.000 1.014 480 H CA 0.440 56.503 56.048 0.024 0.000 1.211 480 H CB -0.258 29.345 29.762 -0.265 0.000 1.365 480 H HN 0.375 nan 8.280 nan 0.000 0.594 481 R N 0.831 121.183 120.500 -0.247 0.000 2.300 481 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 481 R C 0.569 176.877 176.300 0.012 0.000 0.920 481 R CA -0.000 56.021 56.100 -0.131 0.000 1.046 481 R CB 0.464 30.638 30.300 -0.210 0.000 0.984 481 R HN 0.115 nan 8.270 nan 0.000 0.493 482 S N 0.331 116.072 115.700 0.067 0.000 2.617 482 S HA 0.156 4.626 4.470 -0.000 0.000 0.255 482 S C 0.371 174.896 174.600 -0.125 0.000 1.318 482 S CA 0.001 58.170 58.200 -0.051 0.000 0.978 482 S CB 1.057 64.173 63.200 -0.140 0.000 0.961 482 S HN 0.042 nan 8.310 nan 0.000 0.582 483 T N 0.646 115.057 114.554 -0.237 0.000 2.893 483 T HA 0.538 4.888 4.350 -0.000 0.000 0.293 483 T C 0.622 175.120 174.700 -0.336 0.000 1.027 483 T CA -0.693 61.261 62.100 -0.244 0.000 0.988 483 T CB 1.715 70.497 68.868 -0.143 0.000 1.043 483 T HN 0.724 nan 8.240 nan 0.000 0.461 484 T N -0.529 113.828 114.554 -0.328 0.000 3.016 484 T HA 0.393 4.743 4.350 -0.000 0.000 0.271 484 T C 0.423 174.998 174.700 -0.207 0.000 0.968 484 T CA -0.204 61.739 62.100 -0.261 0.000 0.891 484 T CB -0.018 68.729 68.868 -0.202 0.000 1.149 484 T HN 0.355 nan 8.240 nan 0.000 0.524 485 L N 1.862 122.958 121.223 -0.212 0.000 2.360 485 L HA 0.664 5.003 4.340 -0.000 0.000 0.271 485 L C 1.238 177.948 176.870 -0.267 0.000 1.057 485 L CA -0.054 54.645 54.840 -0.236 0.000 0.803 485 L CB 0.773 42.678 42.059 -0.256 0.000 1.207 485 L HN 0.571 nan 8.230 nan 0.000 0.445 486 G N 0.579 109.182 108.800 -0.329 0.000 2.804 486 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.230 486 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.230 486 G C -0.047 174.651 174.900 -0.336 0.000 1.386 486 G CA 0.252 45.112 45.100 -0.401 0.000 0.875 486 G HN 0.577 nan 8.290 nan 0.000 0.557 487 Y N 0.001 120.239 120.300 -0.104 0.000 2.224 487 Y HA -0.022 4.528 4.550 -0.000 0.000 0.289 487 Y C 2.822 178.654 175.900 -0.113 0.000 1.146 487 Y CA 1.957 59.996 58.100 -0.103 0.000 1.182 487 Y CB -0.442 37.989 38.460 -0.048 0.000 0.983 487 Y HN 0.781 nan 8.280 nan 0.000 0.524 488 E N -0.034 120.189 120.200 0.039 0.000 2.085 488 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 488 E C 2.532 179.086 176.600 -0.077 0.000 0.994 488 E CA 1.194 57.586 56.400 -0.013 0.000 0.801 488 E CB -0.506 29.179 29.700 -0.025 0.000 0.743 488 E HN 0.508 nan 8.360 nan 0.000 0.453 489 G N 0.398 109.114 108.800 -0.140 0.000 2.422 489 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 489 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 489 G C 1.615 176.381 174.900 -0.224 0.000 1.140 489 G CA 0.755 45.741 45.100 -0.190 0.000 0.775 489 G HN 0.399 nan 8.290 nan 0.000 0.545 490 A N 0.799 123.445 122.820 -0.291 0.000 1.902 490 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 490 A C 2.442 179.964 177.584 -0.104 0.000 1.181 490 A CA 1.698 53.450 52.037 -0.474 0.000 0.623 490 A CB -0.353 18.329 19.000 -0.531 0.000 0.818 490 A HN 0.374 nan 8.150 nan 0.000 0.443 491 M N -1.079 118.502 119.600 -0.031 0.000 2.159 491 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 491 M C 2.471 178.778 176.300 0.012 0.000 1.063 491 M CA 1.606 56.923 55.300 0.028 0.000 1.110 491 M CB -0.438 32.174 32.600 0.019 0.000 1.374 491 M HN 0.504 nan 8.290 nan 0.000 0.411 492 Q N 0.385 120.166 119.800 -0.032 0.000 2.046 492 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 492 Q C 2.049 178.031 176.000 -0.029 0.000 0.975 492 Q CA 1.367 57.144 55.803 -0.044 0.000 0.836 492 Q CB -0.138 28.548 28.738 -0.087 0.000 0.896 492 Q HN 0.530 nan 8.270 nan 0.000 0.428 493 I N 0.766 121.322 120.570 -0.024 0.000 2.179 493 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 493 I C 2.418 178.578 176.117 0.071 0.000 1.088 493 I CA 0.931 62.245 61.300 0.023 0.000 1.357 493 I CB -0.282 37.754 38.000 0.061 0.000 1.051 493 I HN 0.264 nan 8.210 nan 0.000 0.409 494 L N 0.276 121.600 121.223 0.168 0.000 2.013 494 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 494 L C 2.605 179.485 176.870 0.017 0.000 1.073 494 L CA 1.960 56.865 54.840 0.109 0.000 0.753 494 L CB -0.440 41.724 42.059 0.176 0.000 0.890 494 L HN 0.268 nan 8.230 nan 0.000 0.432 495 T N -0.946 113.616 114.554 0.013 0.000 2.720 495 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 495 T C 1.719 176.394 174.700 -0.041 0.000 1.037 495 T CA 1.955 64.046 62.100 -0.015 0.000 1.144 495 T CB -0.386 68.473 68.868 -0.015 0.000 0.864 495 T HN 0.465 nan 8.240 nan 0.000 0.444 496 T N 2.344 116.873 114.554 -0.041 0.000 2.746 496 T HA 0.061 4.411 4.350 -0.000 0.000 0.267 496 T C 1.976 176.620 174.700 -0.094 0.000 1.039 496 T CA 0.829 62.894 62.100 -0.058 0.000 1.142 496 T CB -0.376 68.464 68.868 -0.047 0.000 0.866 496 T HN 0.252 nan 8.240 nan 0.000 0.444 497 L N 0.678 121.842 121.223 -0.099 0.000 1.988 497 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 497 L C 2.720 179.500 176.870 -0.150 0.000 1.071 497 L CA 0.966 55.721 54.840 -0.142 0.000 0.744 497 L CB -0.859 41.109 42.059 -0.152 0.000 0.893 497 L HN 0.125 nan 8.230 nan 0.000 0.433 498 V N 0.278 120.136 119.914 -0.094 0.000 2.324 498 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 498 V C 1.892 177.894 176.094 -0.153 0.000 1.060 498 V CA 2.350 64.600 62.300 -0.083 0.000 1.042 498 V CB -0.959 30.842 31.823 -0.036 0.000 0.650 498 V HN 0.516 nan 8.190 nan 0.000 0.450 499 N N -0.325 118.293 118.700 -0.137 0.000 2.409 499 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 499 N C 1.924 177.347 175.510 -0.146 0.000 1.032 499 N CA 0.981 53.945 53.050 -0.144 0.000 0.898 499 N CB -0.051 38.375 38.487 -0.101 0.000 0.971 499 N HN 0.363 nan 8.380 nan 0.000 0.441 500 S N 0.760 116.353 115.700 -0.179 0.000 2.387 500 S HA 0.041 4.511 4.470 -0.000 0.000 0.226 500 S C 1.894 176.376 174.600 -0.197 0.000 1.026 500 S CA 0.530 58.616 58.200 -0.190 0.000 0.972 500 S CB -0.003 63.010 63.200 -0.313 0.000 0.814 500 S HN 0.250 nan 8.310 nan 0.000 0.477 501 I N 1.533 121.920 120.570 -0.306 0.000 2.142 501 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 501 I C 2.027 178.086 176.117 -0.096 0.000 1.078 501 I CA 1.224 62.459 61.300 -0.109 0.000 1.343 501 I CB -0.393 37.553 38.000 -0.089 0.000 1.046 501 I HN 0.231 nan 8.210 nan 0.000 0.405 502 L N 0.200 121.269 121.223 -0.258 0.000 2.131 502 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 502 L C 2.452 179.207 176.870 -0.192 0.000 1.092 502 L CA 1.362 55.988 54.840 -0.358 0.000 0.759 502 L CB -0.602 41.191 42.059 -0.444 0.000 0.903 502 L HN 0.276 nan 8.230 nan 0.000 0.435 503 E N -0.198 119.937 120.200 -0.107 0.000 2.051 503 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 503 E C 2.247 178.851 176.600 0.006 0.000 0.991 503 E CA 0.886 57.259 56.400 -0.044 0.000 0.799 503 E CB -0.018 29.673 29.700 -0.016 0.000 0.748 503 E HN 0.147 nan 8.360 nan 0.000 0.449 504 R N 1.001 121.542 120.500 0.069 0.000 2.148 504 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 504 R C 2.022 178.342 176.300 0.032 0.000 1.103 504 R CA 0.811 56.964 56.100 0.088 0.000 0.983 504 R CB -0.509 29.912 30.300 0.202 0.000 0.874 504 R HN 0.210 nan 8.270 nan 0.000 0.451 505 L N -0.167 121.055 121.223 -0.002 0.000 2.072 505 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 505 L C 1.222 178.090 176.870 -0.005 0.000 1.079 505 L CA 1.717 56.542 54.840 -0.024 0.000 0.752 505 L CB -0.397 41.598 42.059 -0.107 0.000 0.906 505 L HN 0.207 nan 8.230 nan 0.000 0.436 506 D N -0.115 120.275 120.400 -0.016 0.000 2.123 506 D HA -0.264 4.375 4.640 -0.000 0.000 0.196 506 D C 1.955 178.337 176.300 0.136 0.000 0.992 506 D CA 1.307 55.359 54.000 0.087 0.000 0.833 506 D CB 0.045 40.858 40.800 0.022 0.000 0.954 506 D HN 0.384 nan 8.370 nan 0.000 0.455 507 E N 0.607 120.837 120.200 0.051 0.000 2.118 507 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 507 E C 1.601 178.191 176.600 -0.016 0.000 0.992 507 E CA 0.951 57.361 56.400 0.017 0.000 0.804 507 E CB 0.116 29.821 29.700 0.009 0.000 0.741 507 E HN 0.340 nan 8.360 nan 0.000 0.458 508 E N -0.628 119.562 120.200 -0.016 0.000 2.274 508 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 508 E C 1.426 177.985 176.600 -0.068 0.000 0.996 508 E CA 1.359 57.734 56.400 -0.041 0.000 0.840 508 E CB 0.209 29.887 29.700 -0.037 0.000 0.772 508 E HN 0.315 nan 8.360 nan 0.000 0.491 509 T N -2.207 112.317 114.554 -0.050 0.000 3.176 509 T HA 0.228 4.578 4.350 -0.000 0.000 0.263 509 T C 1.273 175.812 174.700 -0.269 0.000 1.021 509 T CA -0.464 61.571 62.100 -0.108 0.000 0.905 509 T CB 0.318 69.173 68.868 -0.021 0.000 1.057 509 T HN -0.077 nan 8.240 nan 0.000 0.558 510 R N 1.031 121.335 120.500 -0.328 0.000 2.275 510 R HA 0.239 4.579 4.340 -0.000 0.000 0.199 510 R C 1.246 177.356 176.300 -0.316 0.000 0.989 510 R CA 0.084 55.857 56.100 -0.545 0.000 1.016 510 R CB -0.385 29.733 30.300 -0.304 0.000 0.918 510 R HN 0.471 nan 8.270 nan 0.000 0.473 511 G N 1.384 110.063 108.800 -0.203 0.000 2.346 511 G HA2 0.025 3.984 3.960 -0.000 0.000 0.275 511 G HA3 0.025 3.984 3.960 -0.000 0.000 0.275 511 G C -0.313 174.521 174.900 -0.110 0.000 1.190 511 G CA -0.333 44.692 45.100 -0.125 0.000 1.015 511 G HN 0.212 nan 8.290 nan 0.000 0.441 512 M N 2.333 121.882 119.600 -0.084 0.000 2.238 512 M HA 0.084 4.564 4.480 -0.000 0.000 0.350 512 M C 1.132 177.423 176.300 -0.015 0.000 1.321 512 M CA 0.498 55.767 55.300 -0.052 0.000 1.097 512 M CB 0.370 32.946 32.600 -0.040 0.000 1.713 512 M HN 0.843 nan 8.290 nan 0.000 0.455 513 Q N 1.934 121.739 119.800 0.009 0.000 2.481 513 Q HA -0.302 4.038 4.340 -0.000 0.000 0.272 513 Q C -0.756 175.274 176.000 0.052 0.000 1.157 513 Q CA 0.936 56.762 55.803 0.039 0.000 0.935 513 Q CB -0.865 27.888 28.738 0.026 0.000 1.338 513 Q HN 0.916 nan 8.270 nan 0.000 0.494 514 A N -1.621 121.228 122.820 0.047 0.000 1.761 514 A HA 0.242 4.562 4.320 -0.000 0.000 0.168 514 A C 1.255 178.889 177.584 0.082 0.000 1.884 514 A CA 0.715 52.786 52.037 0.056 0.000 1.217 514 A CB -0.028 18.976 19.000 0.006 0.000 0.934 514 A HN 0.705 nan 8.150 nan 0.000 0.682 515 T N -1.371 113.142 114.554 -0.067 0.000 3.044 515 T HA 0.077 4.427 4.350 -0.000 0.000 0.260 515 T C 0.822 175.236 174.700 -0.475 0.000 1.019 515 T CA 0.893 62.821 62.100 -0.287 0.000 0.921 515 T CB 0.021 68.768 68.868 -0.202 0.000 1.053 515 T HN 0.483 nan 8.240 nan 0.000 0.533 516 D N 1.793 122.045 120.400 -0.245 0.000 2.392 516 D HA -0.169 4.471 4.640 -0.000 0.000 0.228 516 D C 1.627 177.872 176.300 -0.092 0.000 1.003 516 D CA 0.380 54.273 54.000 -0.178 0.000 0.917 516 D CB -0.593 40.128 40.800 -0.133 0.000 0.890 516 D HN 0.676 nan 8.370 nan 0.000 0.532 517 Y N 0.777 121.102 120.300 0.042 0.000 2.403 517 Y HA -0.026 4.524 4.550 -0.000 0.000 0.291 517 Y C 1.348 177.288 175.900 0.067 0.000 1.143 517 Y CA 0.993 59.121 58.100 0.047 0.000 1.257 517 Y CB -1.148 37.331 38.460 0.031 0.000 0.984 517 Y HN -0.057 nan 8.280 nan 0.000 0.550 518 N N -0.379 118.148 118.700 -0.288 0.000 2.273 518 N HA -0.031 4.709 4.740 -0.000 0.000 0.231 518 N C -0.497 175.019 175.510 0.011 0.000 1.134 518 N CA -0.207 52.803 53.050 -0.067 0.000 0.856 518 N CB -0.599 37.801 38.487 -0.146 0.000 1.068 518 N HN 0.364 nan 8.380 nan 0.000 0.510 519 H N 0.333 119.349 119.070 -0.090 0.000 2.768 519 H HA 0.225 4.781 4.556 -0.000 0.000 0.228 519 H C -0.717 174.598 175.328 -0.021 0.000 1.812 519 H CA -0.583 55.428 56.048 -0.062 0.000 1.273 519 H CB -0.798 28.925 29.762 -0.065 0.000 1.631 519 H HN 0.141 nan 8.280 nan 0.000 0.526 520 D N 1.358 121.735 120.400 -0.039 0.000 2.488 520 D HA -0.120 4.520 4.640 -0.000 0.000 0.238 520 D C 1.530 177.769 176.300 -0.102 0.000 1.138 520 D CA 0.013 53.994 54.000 -0.031 0.000 0.873 520 D CB 1.026 41.843 40.800 0.029 0.000 1.183 520 D HN 0.400 nan 8.370 nan 0.000 0.458 521 L N 3.784 124.972 121.223 -0.058 0.000 2.056 521 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 521 L C 0.321 177.159 176.870 -0.054 0.000 1.078 521 L CA 1.440 56.240 54.840 -0.067 0.000 0.749 521 L CB 0.230 42.272 42.059 -0.029 0.000 0.901 521 L HN 0.205 nan 8.230 nan 0.000 0.433 522 V N 2.455 122.360 119.914 -0.016 0.000 2.407 522 V HA 0.485 4.605 4.120 -0.000 0.000 0.278 522 V C 0.156 176.280 176.094 0.049 0.000 1.037 522 V CA -0.747 61.559 62.300 0.010 0.000 0.900 522 V CB 0.987 32.826 31.823 0.026 0.000 0.983 522 V HN 0.246 nan 8.190 nan 0.000 0.459 523 R N 0.000 120.534 120.500 0.057 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.201 56.100 0.169 0.000 0.921 523 R CB 0.000 30.238 30.300 -0.103 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535