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 1m1n_1_F 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 0.000 174.622 174.600 0.037 0.000 1.055 2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 2 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3 Q N 1.319 121.129 119.800 0.016 0.000 2.375 3 Q HA 0.519 4.859 4.340 -0.001 0.000 0.271 3 Q C -1.440 174.557 176.000 -0.005 0.000 1.074 3 Q CA -0.801 55.002 55.803 -0.000 0.000 0.808 3 Q CB 2.188 30.924 28.738 -0.004 0.000 1.327 3 Q HN 0.544 nan 8.270 nan 0.000 0.441 4 Q N 0.995 120.787 119.800 -0.012 0.000 2.331 4 Q HA 0.193 4.532 4.340 -0.001 0.000 0.257 4 Q C 0.759 176.751 176.000 -0.013 0.000 0.957 4 Q CA -0.126 55.670 55.803 -0.012 0.000 0.923 4 Q CB 1.909 30.639 28.738 -0.014 0.000 1.212 4 Q HN 0.515 nan 8.270 nan 0.000 0.443 5 V N 3.077 122.985 119.914 -0.009 0.000 2.469 5 V HA -0.242 3.877 4.120 -0.001 0.000 0.251 5 V C 1.053 177.142 176.094 -0.009 0.000 1.064 5 V CA 2.532 64.828 62.300 -0.008 0.000 1.066 5 V CB -0.087 31.733 31.823 -0.004 0.000 0.667 5 V HN 0.935 nan 8.190 nan 0.000 0.461 6 D N -0.643 119.751 120.400 -0.009 0.000 2.347 6 D HA -0.072 4.568 4.640 -0.001 0.000 0.215 6 D C 1.103 177.395 176.300 -0.013 0.000 0.976 6 D CA 0.358 54.352 54.000 -0.009 0.000 0.884 6 D CB 0.120 40.916 40.800 -0.008 0.000 0.915 6 D HN 0.440 nan 8.370 nan 0.000 0.526 7 K N 0.856 121.245 120.400 -0.018 0.000 3.088 7 K HA 0.291 4.611 4.320 -0.001 0.000 0.193 7 K C -1.169 175.411 176.600 -0.034 0.000 1.176 7 K CA -0.326 55.946 56.287 -0.025 0.000 0.907 7 K CB -0.143 32.341 32.500 -0.026 0.000 1.139 7 K HN -0.090 nan 8.250 nan 0.000 0.597 8 I N 2.524 123.074 120.570 -0.033 0.000 2.648 8 I HA 0.053 4.223 4.170 -0.001 0.000 0.284 8 I C 0.298 176.377 176.117 -0.064 0.000 1.153 8 I CA 0.235 61.510 61.300 -0.042 0.000 1.426 8 I CB 0.683 38.665 38.000 -0.031 0.000 1.381 8 I HN 0.237 nan 8.210 nan 0.000 0.571 9 K N 5.759 126.104 120.400 -0.092 0.000 2.265 9 K HA 0.622 4.942 4.320 -0.001 0.000 0.267 9 K C -0.299 176.201 176.600 -0.166 0.000 0.994 9 K CA -0.584 55.619 56.287 -0.139 0.000 0.860 9 K CB 1.816 34.208 32.500 -0.179 0.000 1.099 9 K HN 0.688 nan 8.250 nan 0.000 0.448 10 A N 1.486 124.222 122.820 -0.140 0.000 2.267 10 A HA 0.140 4.459 4.320 -0.001 0.000 0.271 10 A C 1.549 178.995 177.584 -0.230 0.000 1.131 10 A CA 0.246 52.202 52.037 -0.136 0.000 0.818 10 A CB 0.133 19.105 19.000 -0.046 0.000 1.118 10 A HN 0.879 nan 8.150 nan 0.000 0.501 11 S N -0.955 114.631 115.700 -0.190 0.000 2.390 11 S HA -0.263 4.207 4.470 -0.001 0.000 0.234 11 S C 0.704 175.222 174.600 -0.136 0.000 1.063 11 S CA 1.968 60.018 58.200 -0.250 0.000 1.108 11 S CB -0.763 62.555 63.200 0.196 0.000 0.975 11 S HN 0.992 nan 8.310 nan 0.000 0.442 12 Y N 4.925 125.183 120.300 -0.071 0.000 2.367 12 Y HA 0.516 5.066 4.550 -0.001 0.000 0.342 12 Y C -2.298 173.558 175.900 -0.073 0.000 0.979 12 Y CA -2.383 55.691 58.100 -0.042 0.000 1.161 12 Y CB 1.793 40.258 38.460 0.008 0.000 1.155 12 Y HN 0.109 nan 8.280 nan 0.000 0.503 13 P HA 0.034 nan 4.420 nan 0.000 0.278 13 P C 1.001 178.074 177.300 -0.379 0.000 1.502 13 P CA 0.038 62.693 63.100 -0.743 0.000 1.114 13 P CB 0.488 31.679 31.700 -0.848 0.000 1.541 14 L N 0.509 121.480 121.223 -0.420 0.000 1.997 14 L HA -0.177 4.163 4.340 -0.001 0.000 0.216 14 L C 1.683 178.285 176.870 -0.447 0.000 1.074 14 L CA 2.276 56.816 54.840 -0.499 0.000 0.763 14 L CB -1.374 40.199 42.059 -0.810 0.000 0.890 14 L HN -0.143 nan 8.230 nan 0.000 0.434 15 F N -0.948 118.863 119.950 -0.232 0.000 2.802 15 F HA 0.037 4.564 4.527 -0.001 0.000 0.300 15 F C 1.890 177.687 175.800 -0.004 0.000 1.168 15 F CA 0.320 58.184 58.000 -0.227 0.000 1.433 15 F CB -0.719 38.150 39.000 -0.219 0.000 1.115 15 F HN 0.066 nan 8.300 nan 0.000 0.582 16 L N -1.110 120.175 121.223 0.104 0.000 2.558 16 L HA 0.040 4.379 4.340 -0.001 0.000 0.225 16 L C 0.347 177.278 176.870 0.102 0.000 1.128 16 L CA -0.011 54.890 54.840 0.102 0.000 0.868 16 L CB -0.469 41.617 42.059 0.046 0.000 1.006 16 L HN -0.126 nan 8.230 nan 0.000 0.454 17 D N 0.184 120.660 120.400 0.127 0.000 2.400 17 D HA -0.073 4.566 4.640 -0.001 0.000 0.238 17 D C 0.983 177.376 176.300 0.154 0.000 1.157 17 D CA 0.234 54.315 54.000 0.135 0.000 0.889 17 D CB 0.989 41.903 40.800 0.189 0.000 1.199 17 D HN -0.085 nan 8.370 nan 0.000 0.436 18 Q N 1.235 121.089 119.800 0.089 0.000 2.124 18 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 18 Q C 1.185 177.221 176.000 0.061 0.000 0.977 18 Q CA 1.824 57.669 55.803 0.069 0.000 0.850 18 Q CB -0.066 28.695 28.738 0.038 0.000 0.901 18 Q HN 0.576 nan 8.270 nan 0.000 0.429 19 D N -1.322 119.093 120.400 0.025 0.000 2.117 19 D HA -0.216 4.423 4.640 -0.001 0.000 0.197 19 D C 1.465 177.738 176.300 -0.044 0.000 0.987 19 D CA 1.420 55.390 54.000 -0.050 0.000 0.829 19 D CB -0.966 39.749 40.800 -0.143 0.000 0.961 19 D HN 0.362 nan 8.370 nan 0.000 0.460 20 Y N 1.037 121.392 120.300 0.092 0.000 2.181 20 Y HA -0.069 4.481 4.550 -0.001 0.000 0.288 20 Y C 2.629 178.587 175.900 0.097 0.000 1.146 20 Y CA 1.304 59.485 58.100 0.135 0.000 1.164 20 Y CB -0.405 38.214 38.460 0.265 0.000 0.982 20 Y HN -0.017 nan 8.280 nan 0.000 0.515 21 K N 0.311 120.853 120.400 0.237 0.000 2.026 21 K HA -0.206 4.114 4.320 -0.001 0.000 0.208 21 K C 1.410 178.069 176.600 0.098 0.000 1.048 21 K CA 2.032 58.408 56.287 0.148 0.000 0.929 21 K CB -0.178 32.392 32.500 0.116 0.000 0.713 21 K HN 0.190 nan 8.250 nan 0.000 0.439 22 D N 0.679 121.123 120.400 0.075 0.000 2.117 22 D HA -0.203 4.437 4.640 -0.001 0.000 0.197 22 D C 1.838 178.165 176.300 0.045 0.000 0.987 22 D CA 0.955 54.982 54.000 0.045 0.000 0.829 22 D CB -0.178 40.638 40.800 0.026 0.000 0.961 22 D HN 0.256 nan 8.370 nan 0.000 0.460 23 M N 0.439 120.072 119.600 0.055 0.000 2.080 23 M HA -0.140 4.339 4.480 -0.001 0.000 0.260 23 M C 2.007 178.351 176.300 0.074 0.000 1.068 23 M CA 1.269 56.606 55.300 0.061 0.000 1.109 23 M CB -0.515 32.123 32.600 0.064 0.000 1.342 23 M HN 0.018 nan 8.290 nan 0.000 0.405 24 L N 0.119 121.393 121.223 0.084 0.000 2.093 24 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 24 L C 2.722 179.620 176.870 0.046 0.000 1.085 24 L CA 1.059 55.936 54.840 0.063 0.000 0.755 24 L CB -0.973 41.120 42.059 0.057 0.000 0.904 24 L HN 0.363 nan 8.230 nan 0.000 0.435 25 A N 0.041 122.885 122.820 0.042 0.000 1.902 25 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 25 A C 2.345 179.930 177.584 0.002 0.000 1.181 25 A CA 1.565 53.614 52.037 0.020 0.000 0.623 25 A CB -0.302 18.710 19.000 0.019 0.000 0.818 25 A HN 0.297 nan 8.150 nan 0.000 0.443 26 K N -0.402 120.006 120.400 0.013 0.000 2.057 26 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 26 K C 2.212 178.808 176.600 -0.006 0.000 1.050 26 K CA 1.485 57.768 56.287 -0.006 0.000 0.935 26 K CB -0.148 32.368 32.500 0.027 0.000 0.715 26 K HN 0.517 nan 8.250 nan 0.000 0.439 27 K N 1.522 121.973 120.400 0.085 0.000 2.032 27 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 27 K C 2.274 178.924 176.600 0.084 0.000 1.048 27 K CA 1.448 57.845 56.287 0.185 0.000 0.927 27 K CB -0.072 32.518 32.500 0.149 0.000 0.712 27 K HN -0.001 nan 8.250 nan 0.000 0.441 28 R N 0.500 121.015 120.500 0.026 0.000 2.082 28 R HA -0.176 4.164 4.340 -0.001 0.000 0.234 28 R C 1.553 177.810 176.300 -0.072 0.000 1.136 28 R CA 2.340 58.437 56.100 -0.006 0.000 0.935 28 R CB -0.314 29.985 30.300 -0.002 0.000 0.842 28 R HN 0.268 nan 8.270 nan 0.000 0.430 29 D N -0.855 119.479 120.400 -0.109 0.000 2.144 29 D HA -0.068 4.572 4.640 -0.001 0.000 0.200 29 D C 1.706 177.828 176.300 -0.296 0.000 0.978 29 D CA 1.478 55.386 54.000 -0.154 0.000 0.833 29 D CB -0.396 40.332 40.800 -0.121 0.000 0.961 29 D HN 0.545 nan 8.370 nan 0.000 0.470 30 G N -0.797 107.688 108.800 -0.525 0.000 2.396 30 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.214 30 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.214 30 G C 0.869 175.068 174.900 -1.170 0.000 1.166 30 G CA 0.340 44.765 45.100 -1.124 0.000 0.793 30 G HN 0.233 nan 8.290 nan 0.000 0.533 31 F N -0.518 119.421 119.950 -0.019 0.000 2.871 31 F HA 0.358 4.885 4.527 -0.001 0.000 0.344 31 F C 1.900 177.683 175.800 -0.027 0.000 1.078 31 F CA -0.569 57.418 58.000 -0.022 0.000 1.149 31 F CB 0.459 39.449 39.000 -0.018 0.000 1.087 31 F HN 0.083 nan 8.300 nan 0.000 0.557 32 E N 0.752 120.996 120.200 0.073 0.000 2.474 32 E HA 0.003 4.353 4.350 -0.001 0.000 0.194 32 E C -0.094 176.499 176.600 -0.012 0.000 1.041 32 E CA 0.169 56.594 56.400 0.041 0.000 0.874 32 E CB -0.080 29.639 29.700 0.033 0.000 0.914 32 E HN 0.328 nan 8.360 nan 0.000 0.498 33 E N 1.726 121.899 120.200 -0.045 0.000 2.199 33 E HA -0.240 4.109 4.350 -0.001 0.000 0.208 33 E C -0.206 176.315 176.600 -0.133 0.000 1.310 33 E CA 0.442 56.788 56.400 -0.091 0.000 0.709 33 E CB -1.090 28.558 29.700 -0.088 0.000 1.127 33 E HN 0.153 nan 8.360 nan 0.000 0.354 34 K N 0.886 121.232 120.400 -0.090 0.000 2.185 34 K HA 0.186 4.505 4.320 -0.001 0.000 0.271 34 K C -0.305 176.246 176.600 -0.082 0.000 1.013 34 K CA -0.500 55.752 56.287 -0.057 0.000 0.943 34 K CB 0.509 33.009 32.500 -0.001 0.000 0.998 34 K HN 0.005 nan 8.250 nan 0.000 0.468 35 Y N 3.242 123.544 120.300 0.003 0.000 2.702 35 Y HA 0.024 4.574 4.550 -0.000 0.000 0.336 35 Y C -1.702 174.201 175.900 0.005 0.000 1.235 35 Y CA -1.120 56.982 58.100 0.004 0.000 1.492 35 Y CB 0.001 38.468 38.460 0.011 0.000 1.308 35 Y HN 0.591 nan 8.280 nan 0.000 0.589 36 P HA -0.028 nan 4.420 nan 0.000 0.269 36 P C 0.163 177.523 177.300 0.100 0.000 1.215 36 P CA -0.147 63.011 63.100 0.097 0.000 0.780 36 P CB 0.784 32.528 31.700 0.074 0.000 0.898 37 Q N 1.615 121.457 119.800 0.069 0.000 2.135 37 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 37 Q C 1.074 177.112 176.000 0.064 0.000 0.981 37 Q CA 2.013 57.855 55.803 0.066 0.000 0.856 37 Q CB -0.729 28.039 28.738 0.050 0.000 0.902 37 Q HN 0.367 nan 8.270 nan 0.000 0.425 38 D N -0.537 119.895 120.400 0.054 0.000 2.178 38 D HA -0.135 4.505 4.640 -0.001 0.000 0.201 38 D C 1.556 177.884 176.300 0.046 0.000 0.980 38 D CA 1.089 55.116 54.000 0.045 0.000 0.842 38 D CB -0.095 40.724 40.800 0.033 0.000 0.948 38 D HN 0.133 nan 8.370 nan 0.000 0.472 39 K N 0.943 121.375 120.400 0.053 0.000 2.057 39 K HA 0.011 4.331 4.320 -0.001 0.000 0.206 39 K C 2.020 178.633 176.600 0.021 0.000 1.050 39 K CA 0.673 56.977 56.287 0.028 0.000 0.935 39 K CB -0.510 32.024 32.500 0.058 0.000 0.715 39 K HN 0.114 nan 8.250 nan 0.000 0.439 40 I N 1.065 121.670 120.570 0.058 0.000 2.163 40 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 40 I C 1.553 177.747 176.117 0.129 0.000 1.085 40 I CA 1.606 62.953 61.300 0.078 0.000 1.347 40 I CB -0.399 37.655 38.000 0.091 0.000 1.044 40 I HN 0.221 nan 8.210 nan 0.000 0.408 41 D N 0.435 120.907 120.400 0.120 0.000 2.117 41 D HA -0.223 4.416 4.640 -0.001 0.000 0.197 41 D C 2.004 178.392 176.300 0.147 0.000 0.987 41 D CA 1.178 55.269 54.000 0.153 0.000 0.829 41 D CB -0.277 40.579 40.800 0.093 0.000 0.961 41 D HN 0.432 nan 8.370 nan 0.000 0.460 42 E N 0.612 120.860 120.200 0.080 0.000 2.051 42 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 42 E C 2.104 178.746 176.600 0.069 0.000 0.991 42 E CA 0.906 57.334 56.400 0.047 0.000 0.799 42 E CB 0.158 29.857 29.700 -0.001 0.000 0.748 42 E HN 0.009 nan 8.360 nan 0.000 0.449 43 V N 0.982 120.939 119.914 0.073 0.000 2.343 43 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 43 V C 2.159 178.333 176.094 0.133 0.000 1.051 43 V CA 1.931 64.309 62.300 0.130 0.000 1.036 43 V CB -0.739 31.127 31.823 0.072 0.000 0.654 43 V HN 0.355 nan 8.190 nan 0.000 0.451 44 F N 1.080 121.043 119.950 0.022 0.000 2.069 44 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 44 F C 2.611 178.327 175.800 -0.140 0.000 1.113 44 F CA 1.966 59.947 58.000 -0.031 0.000 1.214 44 F CB -0.407 38.628 39.000 0.058 0.000 0.978 44 F HN 0.098 nan 8.300 nan 0.000 0.474 45 Q N -0.581 119.115 119.800 -0.174 0.000 2.096 45 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 45 Q C 2.085 177.878 176.000 -0.346 0.000 0.982 45 Q CA 2.093 57.706 55.803 -0.317 0.000 0.850 45 Q CB -1.407 27.284 28.738 -0.078 0.000 0.901 45 Q HN 0.745 nan 8.270 nan 0.000 0.422 46 W N 2.109 123.200 121.300 -0.348 0.000 2.342 46 W HA -0.199 4.461 4.660 -0.000 0.000 0.297 46 W C 2.165 178.387 176.519 -0.494 0.000 1.213 46 W CA 2.693 59.858 57.345 -0.300 0.000 1.251 46 W CB -0.574 28.786 29.460 -0.166 0.000 1.136 46 W HN 0.245 nan 8.180 nan 0.000 0.526 47 T N -2.582 111.433 114.554 -0.898 0.000 3.098 47 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 47 T C 1.515 175.459 174.700 -1.260 0.000 1.145 47 T CA 1.693 62.828 62.100 -1.610 0.000 1.092 47 T CB -1.003 67.124 68.868 -1.236 0.000 0.908 47 T HN 0.279 nan 8.240 nan 0.000 0.526 48 T N -0.132 113.734 114.554 -1.147 0.000 3.107 48 T HA 0.174 4.523 4.350 -0.001 0.000 0.249 48 T C 0.903 175.235 174.700 -0.614 0.000 1.096 48 T CA 0.170 61.545 62.100 -1.208 0.000 1.012 48 T CB -0.493 67.446 68.868 -1.548 0.000 0.977 48 T HN 0.620 nan 8.240 nan 0.000 0.527 49 T N -1.057 113.219 114.554 -0.464 0.000 2.902 49 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 49 T C 1.026 175.635 174.700 -0.152 0.000 0.992 49 T CA -0.783 61.169 62.100 -0.247 0.000 1.015 49 T CB 1.971 70.740 68.868 -0.166 0.000 1.044 49 T HN -0.035 nan 8.240 nan 0.000 0.520 50 K N 0.650 120.998 120.400 -0.087 0.000 2.063 50 K HA -0.118 4.201 4.320 -0.001 0.000 0.208 50 K C 1.937 178.514 176.600 -0.039 0.000 1.048 50 K CA 1.679 57.933 56.287 -0.055 0.000 0.928 50 K CB -0.584 31.894 32.500 -0.037 0.000 0.713 50 K HN 0.706 nan 8.250 nan 0.000 0.442 51 E N -0.676 119.515 120.200 -0.015 0.000 2.058 51 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 51 E C 1.876 178.463 176.600 -0.021 0.000 0.997 51 E CA 1.547 57.965 56.400 0.030 0.000 0.801 51 E CB -0.604 29.174 29.700 0.129 0.000 0.746 51 E HN 0.467 nan 8.360 nan 0.000 0.450 52 Y N 1.294 121.395 120.300 -0.331 0.000 2.224 52 Y HA -0.262 4.288 4.550 -0.001 0.000 0.289 52 Y C 2.519 178.260 175.900 -0.265 0.000 1.146 52 Y CA 2.115 59.892 58.100 -0.538 0.000 1.182 52 Y CB -0.087 37.771 38.460 -1.003 0.000 0.983 52 Y HN 0.099 nan 8.280 nan 0.000 0.524 53 Q N 0.331 120.109 119.800 -0.037 0.000 2.061 53 Q HA -0.280 4.060 4.340 -0.001 0.000 0.204 53 Q C 1.997 178.040 176.000 0.071 0.000 0.984 53 Q CA 2.388 58.215 55.803 0.041 0.000 0.846 53 Q CB -0.193 28.549 28.738 0.008 0.000 0.902 53 Q HN 0.627 nan 8.270 nan 0.000 0.421 54 E N 0.158 120.356 120.200 -0.003 0.000 2.085 54 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 54 E C 2.107 178.724 176.600 0.030 0.000 0.994 54 E CA 1.399 57.812 56.400 0.021 0.000 0.801 54 E CB -0.106 29.595 29.700 0.001 0.000 0.743 54 E HN 0.401 nan 8.360 nan 0.000 0.453 55 L N 0.972 122.158 121.223 -0.063 0.000 2.056 55 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 55 L C 2.408 179.205 176.870 -0.123 0.000 1.078 55 L CA 0.749 55.532 54.840 -0.095 0.000 0.749 55 L CB -0.433 41.528 42.059 -0.164 0.000 0.901 55 L HN 0.166 nan 8.230 nan 0.000 0.433 56 N N 0.554 119.121 118.700 -0.222 0.000 2.104 56 N HA -0.221 4.519 4.740 -0.001 0.000 0.190 56 N C 1.628 177.156 175.510 0.031 0.000 1.024 56 N CA 1.677 54.626 53.050 -0.168 0.000 0.853 56 N CB -0.226 38.140 38.487 -0.203 0.000 1.008 56 N HN 0.172 nan 8.380 nan 0.000 0.424 57 F N 0.846 120.830 119.950 0.057 0.000 2.748 57 F HA 0.109 4.636 4.527 -0.001 0.000 0.299 57 F C 2.045 177.872 175.800 0.045 0.000 1.154 57 F CA 0.489 58.536 58.000 0.077 0.000 1.446 57 F CB 0.060 39.057 39.000 -0.006 0.000 1.112 57 F HN 0.155 nan 8.300 nan 0.000 0.584 58 Q N -0.370 119.517 119.800 0.146 0.000 2.403 58 Q HA 0.048 4.387 4.340 -0.001 0.000 0.203 58 Q C 0.455 176.488 176.000 0.055 0.000 0.932 58 Q CA -0.016 55.837 55.803 0.084 0.000 0.945 58 Q CB 0.114 28.884 28.738 0.053 0.000 1.045 58 Q HN 0.240 nan 8.270 nan 0.000 0.511 59 R N 0.935 121.468 120.500 0.054 0.000 2.538 59 R HA -0.060 4.279 4.340 -0.001 0.000 0.282 59 R C 0.485 176.809 176.300 0.041 0.000 1.009 59 R CA 0.612 56.729 56.100 0.028 0.000 1.063 59 R CB 0.348 30.649 30.300 0.002 0.000 0.945 59 R HN 0.308 nan 8.270 nan 0.000 0.414 60 E N 1.245 121.460 120.200 0.025 0.000 2.421 60 E HA 0.060 4.409 4.350 -0.001 0.000 0.209 60 E C 0.955 177.568 176.600 0.022 0.000 0.871 60 E CA 0.437 56.854 56.400 0.029 0.000 1.064 60 E CB 0.749 30.464 29.700 0.025 0.000 1.075 60 E HN 0.683 nan 8.360 nan 0.000 0.513 61 A N 0.570 123.394 122.820 0.008 0.000 2.070 61 A HA 0.223 4.543 4.320 -0.001 0.000 0.202 61 A C 0.599 178.176 177.584 -0.011 0.000 1.277 61 A CA -0.216 51.821 52.037 0.000 0.000 0.872 61 A CB 0.337 19.333 19.000 -0.006 0.000 0.933 61 A HN 0.138 nan 8.150 nan 0.000 0.475 62 L N 1.460 122.666 121.223 -0.029 0.000 2.292 62 L HA 0.566 4.905 4.340 -0.001 0.000 0.284 62 L C -0.683 176.150 176.870 -0.061 0.000 1.065 62 L CA 0.498 55.303 54.840 -0.058 0.000 0.806 62 L CB 1.407 43.412 42.059 -0.089 0.000 1.175 62 L HN 0.088 nan 8.230 nan 0.000 0.431 63 T N 4.534 119.052 114.554 -0.059 0.000 2.823 63 T HA 0.670 5.020 4.350 -0.001 0.000 0.279 63 T C -0.895 173.734 174.700 -0.119 0.000 0.998 63 T CA -0.413 61.653 62.100 -0.056 0.000 0.994 63 T CB 1.482 70.371 68.868 0.036 0.000 0.960 63 T HN 0.374 nan 8.240 nan 0.000 0.448 64 V N 4.281 124.098 119.914 -0.163 0.000 2.525 64 V HA 0.410 4.529 4.120 -0.001 0.000 0.299 64 V C -0.418 175.598 176.094 -0.129 0.000 1.034 64 V CA -1.204 60.969 62.300 -0.212 0.000 0.863 64 V CB 1.344 32.934 31.823 -0.388 0.000 0.999 64 V HN 0.985 nan 8.190 nan 0.000 0.423 65 N N 2.838 121.459 118.700 -0.132 0.000 2.681 65 N HA -0.109 4.631 4.740 -0.001 0.000 0.259 65 N C -2.428 173.016 175.510 -0.111 0.000 1.066 65 N CA 0.336 53.310 53.050 -0.128 0.000 0.717 65 N CB -0.932 37.530 38.487 -0.042 0.000 0.885 65 N HN 0.486 nan 8.380 nan 0.000 0.547 66 P HA 0.187 nan 4.420 nan 0.000 0.269 66 P C -0.215 177.142 177.300 0.095 0.000 1.217 66 P CA -0.072 63.117 63.100 0.148 0.000 0.783 66 P CB 0.631 32.399 31.700 0.113 0.000 0.898 67 A N 1.766 124.800 122.820 0.356 0.000 3.113 67 A HA 0.434 4.754 4.320 -0.001 0.000 0.307 67 A C 0.179 177.912 177.584 0.248 0.000 1.025 67 A CA -0.263 51.924 52.037 0.250 0.000 1.012 67 A CB -0.473 18.658 19.000 0.219 0.000 1.085 67 A HN 0.596 nan 8.150 nan 0.000 0.519 68 K N -1.451 119.019 120.400 0.117 0.000 2.607 68 K HA 0.842 5.162 4.320 -0.001 0.000 0.287 68 K C -0.610 176.010 176.600 0.034 0.000 0.996 68 K CA -0.480 55.867 56.287 0.099 0.000 0.876 68 K CB 1.203 33.665 32.500 -0.063 0.000 1.496 68 K HN 0.491 nan 8.250 nan 0.000 0.415 69 A N 0.182 123.075 122.820 0.121 0.000 2.548 69 A HA 0.800 5.120 4.320 -0.001 0.000 0.262 69 A C -0.632 177.010 177.584 0.096 0.000 1.271 69 A CA -0.405 51.645 52.037 0.021 0.000 0.839 69 A CB 0.594 19.521 19.000 -0.122 0.000 1.381 69 A HN 1.135 nan 8.150 nan 0.000 0.468 70 C N -1.565 117.763 119.300 0.047 0.000 2.358 70 C HA 0.588 5.048 4.460 -0.001 0.000 0.354 70 C C 1.391 176.393 174.990 0.020 0.000 1.183 70 C CA -0.386 58.654 59.018 0.036 0.000 2.150 70 C CB 0.635 28.410 27.740 0.058 0.000 2.361 70 C HN 0.928 nan 8.230 nan 0.000 0.535 71 Q N 1.728 121.518 119.800 -0.018 0.000 2.082 71 Q HA -0.167 4.172 4.340 -0.001 0.000 0.211 71 Q C -0.353 175.622 176.000 -0.042 0.000 1.002 71 Q CA 2.611 58.398 55.803 -0.026 0.000 0.868 71 Q CB -1.279 27.429 28.738 -0.050 0.000 0.931 71 Q HN 0.747 nan 8.270 nan 0.000 0.414 72 P HA -0.166 nan 4.420 nan 0.000 0.219 72 P C 1.472 178.470 177.300 -0.503 0.000 1.146 72 P CA 0.914 63.865 63.100 -0.248 0.000 0.808 72 P CB -0.120 31.477 31.700 -0.172 0.000 0.779 73 L N 0.621 121.501 121.223 -0.571 0.000 2.013 73 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 73 L C 2.526 179.570 176.870 0.291 0.000 1.073 73 L CA 2.617 57.301 54.840 -0.260 0.000 0.753 73 L CB -1.547 40.480 42.059 -0.053 0.000 0.890 73 L HN -0.019 nan 8.230 nan 0.000 0.432 74 G N -1.646 107.380 108.800 0.377 0.000 2.422 74 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 74 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 74 G C 1.592 176.716 174.900 0.374 0.000 1.140 74 G CA 0.652 46.142 45.100 0.650 0.000 0.775 74 G HN 0.634 nan 8.290 nan 0.000 0.545 75 A N 0.295 123.200 122.820 0.142 0.000 1.902 75 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 75 A C 2.593 180.189 177.584 0.020 0.000 1.181 75 A CA 1.770 53.817 52.037 0.017 0.000 0.623 75 A CB -0.611 18.387 19.000 -0.004 0.000 0.818 75 A HN 0.236 nan 8.150 nan 0.000 0.443 76 V N -0.322 119.637 119.914 0.075 0.000 2.295 76 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 76 V C 2.492 178.647 176.094 0.101 0.000 1.049 76 V CA 1.998 64.373 62.300 0.125 0.000 1.024 76 V CB -0.786 31.160 31.823 0.205 0.000 0.648 76 V HN 0.591 nan 8.190 nan 0.000 0.447 77 L N -0.043 121.266 121.223 0.144 0.000 2.046 77 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 77 L C 2.484 179.370 176.870 0.026 0.000 1.077 77 L CA 2.315 57.142 54.840 -0.021 0.000 0.747 77 L CB -0.951 41.064 42.059 -0.073 0.000 0.896 77 L HN 0.499 nan 8.230 nan 0.000 0.432 78 C N -0.555 118.680 119.300 -0.108 0.000 2.413 78 C HA -0.160 4.299 4.460 -0.001 0.000 0.277 78 C C 3.016 178.000 174.990 -0.010 0.000 1.228 78 C CA 1.044 59.806 59.018 -0.426 0.000 1.731 78 C CB -1.411 25.640 27.740 -1.148 0.000 2.042 78 C HN 0.691 nan 8.230 nan 0.000 0.468 79 A N 0.234 123.065 122.820 0.017 0.000 1.940 79 A HA -0.095 4.225 4.320 -0.001 0.000 0.219 79 A C 2.174 179.868 177.584 0.183 0.000 1.176 79 A CA 1.856 53.973 52.037 0.133 0.000 0.631 79 A CB -0.816 18.215 19.000 0.051 0.000 0.814 79 A HN 0.710 nan 8.150 nan 0.000 0.446 80 L N -0.627 120.637 121.223 0.067 0.000 2.353 80 L HA -0.127 4.212 4.340 -0.001 0.000 0.220 80 L C 2.326 179.166 176.870 -0.051 0.000 1.133 80 L CA 0.689 55.534 54.840 0.008 0.000 0.798 80 L CB -0.398 41.607 42.059 -0.089 0.000 0.922 80 L HN 0.512 nan 8.230 nan 0.000 0.445 81 G N -1.099 107.648 108.800 -0.087 0.000 3.124 81 G HA2 0.055 4.015 3.960 -0.001 0.000 0.212 81 G HA3 0.055 4.015 3.960 -0.001 0.000 0.212 81 G C 0.053 174.635 174.900 -0.529 0.000 1.181 81 G CA -0.239 44.677 45.100 -0.307 0.000 0.803 81 G HN 0.071 nan 8.290 nan 0.000 0.529 82 F N -0.316 119.602 119.950 -0.054 0.000 2.522 82 F HA 0.380 4.906 4.527 -0.001 0.000 0.324 82 F C 0.464 176.217 175.800 -0.079 0.000 1.077 82 F CA -1.472 56.489 58.000 -0.066 0.000 0.944 82 F CB 1.624 40.579 39.000 -0.074 0.000 1.175 82 F HN -0.074 nan 8.300 nan 0.000 0.468 83 E N 3.031 123.254 120.200 0.039 0.000 2.480 83 E HA -0.010 4.339 4.350 -0.001 0.000 0.258 83 E C -0.185 176.359 176.600 -0.095 0.000 0.984 83 E CA 0.060 56.438 56.400 -0.036 0.000 0.930 83 E CB 0.250 29.918 29.700 -0.054 0.000 0.936 83 E HN 0.589 nan 8.360 nan 0.000 0.466 84 K N 2.139 122.427 120.400 -0.187 0.000 3.071 84 K HA -0.178 4.141 4.320 -0.001 0.000 0.262 84 K C -0.831 175.456 176.600 -0.522 0.000 0.977 84 K CA 0.831 56.750 56.287 -0.613 0.000 0.721 84 K CB -1.585 30.609 32.500 -0.511 0.000 1.293 84 K HN 0.456 nan 8.250 nan 0.000 0.475 85 T N 1.055 115.506 114.554 -0.171 0.000 2.794 85 T HA 0.440 4.790 4.350 -0.001 0.000 0.280 85 T C -0.210 174.591 174.700 0.168 0.000 0.987 85 T CA -0.698 61.399 62.100 -0.005 0.000 0.993 85 T CB 1.163 70.079 68.868 0.079 0.000 0.939 85 T HN 0.164 nan 8.240 nan 0.000 0.449 86 M N 5.944 125.665 119.600 0.201 0.000 2.080 86 M HA 0.417 4.896 4.480 -0.001 0.000 0.350 86 M C -2.632 173.793 176.300 0.209 0.000 1.173 86 M CA -2.434 53.029 55.300 0.272 0.000 1.052 86 M CB 0.804 33.594 32.600 0.318 0.000 1.577 86 M HN 0.149 nan 8.290 nan 0.000 0.455 87 P HA 0.139 nan 4.420 nan 0.000 0.271 87 P C -2.013 175.439 177.300 0.254 0.000 1.216 87 P CA 0.142 63.352 63.100 0.183 0.000 0.771 87 P CB 0.240 32.035 31.700 0.159 0.000 0.864 88 Y N 3.190 123.553 120.300 0.104 0.000 2.331 88 Y HA 0.443 4.993 4.550 -0.001 0.000 0.326 88 Y C -1.482 174.498 175.900 0.133 0.000 1.020 88 Y CA -1.046 57.126 58.100 0.118 0.000 1.136 88 Y CB 1.339 39.864 38.460 0.110 0.000 1.157 88 Y HN 0.051 nan 8.280 nan 0.000 0.444 89 V N 6.462 126.484 119.914 0.181 0.000 2.334 89 V HA 0.182 4.301 4.120 -0.001 0.000 0.281 89 V C -0.399 175.799 176.094 0.173 0.000 1.016 89 V CA -0.772 61.668 62.300 0.233 0.000 0.832 89 V CB 0.557 32.546 31.823 0.276 0.000 0.999 89 V HN 0.799 nan 8.190 nan 0.000 0.439 90 H N 3.922 123.121 119.070 0.216 0.000 2.899 90 H HA 0.601 5.157 4.556 -0.001 0.000 0.303 90 H C 0.500 175.901 175.328 0.120 0.000 1.042 90 H CA 1.473 57.637 56.048 0.193 0.000 1.479 90 H CB 0.485 30.394 29.762 0.246 0.000 1.493 90 H HN 0.995 nan 8.280 nan 0.000 0.534 91 G N 2.491 111.113 108.800 -0.297 0.000 2.247 91 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.229 91 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.229 91 G C -0.908 173.919 174.900 -0.122 0.000 1.345 91 G CA -0.430 44.548 45.100 -0.205 0.000 1.100 91 G HN 0.969 nan 8.290 nan 0.000 0.473 92 S N 0.207 115.866 115.700 -0.068 0.000 2.537 92 S HA 0.443 4.912 4.470 -0.001 0.000 0.275 92 S C 1.271 175.818 174.600 -0.089 0.000 1.272 92 S CA 0.628 58.788 58.200 -0.067 0.000 1.050 92 S CB 1.648 64.820 63.200 -0.046 0.000 0.961 92 S HN 1.150 nan 8.310 nan 0.000 0.496 93 Q N 2.716 122.455 119.800 -0.102 0.000 2.297 93 Q HA 0.024 4.364 4.340 -0.001 0.000 0.204 93 Q C 1.715 177.605 176.000 -0.184 0.000 0.962 93 Q CA 1.223 56.950 55.803 -0.127 0.000 0.879 93 Q CB -0.896 27.778 28.738 -0.107 0.000 0.947 93 Q HN 0.861 nan 8.270 nan 0.000 0.462 94 G N 1.346 110.028 108.800 -0.196 0.000 2.442 94 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.219 94 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.219 94 G C 1.410 176.073 174.900 -0.395 0.000 1.141 94 G CA 1.022 45.942 45.100 -0.301 0.000 0.763 94 G HN 0.498 nan 8.290 nan 0.000 0.554 95 C N -0.103 119.001 119.300 -0.327 0.000 2.413 95 C HA -0.055 4.405 4.460 -0.001 0.000 0.277 95 C C 3.019 177.369 174.990 -1.067 0.000 1.228 95 C CA 0.795 59.460 59.018 -0.587 0.000 1.731 95 C CB -1.119 26.395 27.740 -0.375 0.000 2.042 95 C HN 0.292 nan 8.230 nan 0.000 0.468 96 V N 1.406 120.979 119.914 -0.568 0.000 2.427 96 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 96 V C 2.742 178.715 176.094 -0.201 0.000 1.051 96 V CA 2.054 64.181 62.300 -0.289 0.000 1.048 96 V CB -1.290 30.499 31.823 -0.056 0.000 0.666 96 V HN 0.611 nan 8.190 nan 0.000 0.456 97 A N -0.803 121.864 122.820 -0.255 0.000 1.908 97 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 97 A C 2.097 179.607 177.584 -0.125 0.000 1.181 97 A CA 2.049 53.963 52.037 -0.205 0.000 0.627 97 A CB -0.729 18.088 19.000 -0.305 0.000 0.818 97 A HN 0.544 nan 8.150 nan 0.000 0.445 98 Y N -1.040 119.137 120.300 -0.206 0.000 2.200 98 Y HA -0.103 4.446 4.550 -0.001 0.000 0.290 98 Y C 2.201 178.094 175.900 -0.012 0.000 1.137 98 Y CA 0.683 58.695 58.100 -0.147 0.000 1.163 98 Y CB -1.008 37.310 38.460 -0.237 0.000 0.988 98 Y HN 0.345 nan 8.280 nan 0.000 0.518 99 F N -0.095 119.972 119.950 0.195 0.000 2.134 99 F HA -0.169 4.358 4.527 -0.001 0.000 0.299 99 F C 2.339 178.292 175.800 0.256 0.000 1.097 99 F CA 1.030 59.127 58.000 0.163 0.000 1.264 99 F CB -1.225 37.891 39.000 0.193 0.000 1.001 99 F HN -0.057 nan 8.300 nan 0.000 0.479 100 R N 0.419 121.155 120.500 0.394 0.000 2.073 100 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 100 R C 2.506 178.995 176.300 0.314 0.000 1.134 100 R CA 1.838 58.143 56.100 0.343 0.000 0.952 100 R CB -0.836 29.582 30.300 0.197 0.000 0.850 100 R HN 0.394 nan 8.270 nan 0.000 0.433 101 S N -0.044 115.799 115.700 0.238 0.000 2.382 101 S HA -0.199 4.270 4.470 -0.001 0.000 0.228 101 S C 1.941 176.683 174.600 0.236 0.000 1.027 101 S CA 0.901 59.215 58.200 0.190 0.000 0.991 101 S CB -0.579 62.704 63.200 0.138 0.000 0.823 101 S HN 0.336 nan 8.310 nan 0.000 0.469 102 Y N 1.510 121.900 120.300 0.149 0.000 2.145 102 Y HA 0.008 4.557 4.550 -0.001 0.000 0.286 102 Y C 1.895 177.990 175.900 0.325 0.000 1.145 102 Y CA 1.104 59.299 58.100 0.158 0.000 1.148 102 Y CB -0.629 37.886 38.460 0.092 0.000 0.981 102 Y HN 0.243 nan 8.280 nan 0.000 0.507 103 F N 0.261 120.530 119.950 0.531 0.000 2.186 103 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 103 F C 2.195 178.243 175.800 0.413 0.000 1.090 103 F CA 1.096 59.412 58.000 0.526 0.000 1.307 103 F CB -1.033 38.291 39.000 0.540 0.000 1.019 103 F HN 0.085 nan 8.300 nan 0.000 0.489 104 N N 0.553 119.520 118.700 0.445 0.000 2.061 104 N HA -0.192 4.548 4.740 -0.001 0.000 0.193 104 N C 1.940 177.540 175.510 0.150 0.000 1.030 104 N CA 1.356 54.555 53.050 0.248 0.000 0.856 104 N CB -0.454 38.117 38.487 0.140 0.000 1.023 104 N HN 0.303 nan 8.380 nan 0.000 0.424 105 R N -0.698 119.850 120.500 0.080 0.000 2.148 105 R HA -0.064 4.276 4.340 -0.001 0.000 0.223 105 R C 1.949 178.323 176.300 0.124 0.000 1.088 105 R CA 0.811 56.864 56.100 -0.079 0.000 0.985 105 R CB -0.207 29.737 30.300 -0.592 0.000 0.880 105 R HN 0.430 nan 8.270 nan 0.000 0.451 106 H N -0.557 118.610 119.070 0.162 0.000 2.343 106 H HA -0.004 4.551 4.556 -0.001 0.000 0.303 106 H C 1.191 176.327 175.328 -0.320 0.000 1.068 106 H CA 1.557 57.559 56.048 -0.076 0.000 1.359 106 H CB 0.095 29.742 29.762 -0.191 0.000 1.402 106 H HN 0.034 nan 8.280 nan 0.000 0.515 107 F N 0.211 120.086 119.950 -0.125 0.000 2.569 107 F HA 0.228 4.754 4.527 -0.001 0.000 0.295 107 F C 0.764 176.263 175.800 -0.501 0.000 1.115 107 F CA 0.567 58.243 58.000 -0.540 0.000 1.450 107 F CB 0.118 39.002 39.000 -0.194 0.000 1.107 107 F HN -0.019 nan 8.300 nan 0.000 0.563 108 R N 1.101 121.565 120.500 -0.060 0.000 3.267 108 R HA -0.155 4.184 4.340 -0.001 0.000 0.254 108 R C -1.056 175.276 176.300 0.053 0.000 0.993 108 R CA 0.372 56.456 56.100 -0.027 0.000 0.670 108 R CB -2.039 28.211 30.300 -0.083 0.000 1.125 108 R HN 0.224 nan 8.270 nan 0.000 0.434 109 E N -0.720 119.534 120.200 0.090 0.000 2.408 109 E HA 0.387 4.737 4.350 -0.001 0.000 0.275 109 E C -2.567 174.090 176.600 0.096 0.000 0.935 109 E CA -2.308 54.146 56.400 0.090 0.000 0.775 109 E CB 1.680 31.418 29.700 0.063 0.000 1.277 109 E HN -0.163 nan 8.360 nan 0.000 0.455 110 P HA 0.133 nan 4.420 nan 0.000 0.269 110 P C -0.748 176.615 177.300 0.106 0.000 1.215 110 P CA -0.219 62.937 63.100 0.094 0.000 0.780 110 P CB 0.513 32.315 31.700 0.169 0.000 0.898 111 V N 1.944 121.926 119.914 0.114 0.000 2.488 111 V HA 0.206 4.326 4.120 -0.001 0.000 0.293 111 V C -0.315 175.843 176.094 0.107 0.000 1.027 111 V CA -0.410 61.966 62.300 0.126 0.000 0.862 111 V CB 1.701 33.667 31.823 0.238 0.000 1.008 111 V HN 0.426 nan 8.190 nan 0.000 0.428 112 S N 3.319 119.062 115.700 0.071 0.000 2.499 112 S HA 0.700 5.169 4.470 -0.001 0.000 0.279 112 S C -0.432 174.200 174.600 0.053 0.000 1.219 112 S CA -0.417 57.795 58.200 0.021 0.000 1.062 112 S CB 1.243 64.419 63.200 -0.040 0.000 0.978 112 S HN 0.924 nan 8.310 nan 0.000 0.489 113 C N 3.714 123.034 119.300 0.032 0.000 3.247 113 C HA 0.658 5.117 4.460 -0.001 0.000 0.375 113 C C -0.951 174.050 174.990 0.019 0.000 1.102 113 C CA -0.545 58.523 59.018 0.083 0.000 1.227 113 C CB 0.171 28.020 27.740 0.183 0.000 1.586 113 C HN 0.856 nan 8.230 nan 0.000 0.544 114 V N 2.552 122.476 119.914 0.016 0.000 3.019 114 V HA 0.966 5.086 4.120 -0.001 0.000 0.317 114 V C -0.166 175.829 176.094 -0.165 0.000 1.094 114 V CA -0.215 62.044 62.300 -0.068 0.000 1.000 114 V CB 1.683 33.473 31.823 -0.055 0.000 1.060 114 V HN 1.100 nan 8.190 nan 0.000 0.443 115 S N 0.135 115.709 115.700 -0.210 0.000 2.648 115 S HA 0.564 5.034 4.470 -0.001 0.000 0.305 115 S C -0.051 174.335 174.600 -0.356 0.000 1.094 115 S CA 0.075 58.123 58.200 -0.255 0.000 0.983 115 S CB 1.746 64.865 63.200 -0.136 0.000 1.101 115 S HN 1.127 nan 8.310 nan 0.000 0.514 116 D N 0.347 120.564 120.400 -0.304 0.000 2.424 116 D HA 0.215 4.855 4.640 -0.001 0.000 0.220 116 D C -0.051 176.211 176.300 -0.064 0.000 1.150 116 D CA -0.180 53.739 54.000 -0.136 0.000 0.831 116 D CB -0.352 40.466 40.800 0.029 0.000 0.981 116 D HN 0.355 nan 8.370 nan 0.000 0.500 117 S N -0.276 115.373 115.700 -0.085 0.000 3.711 117 S HA -0.222 4.248 4.470 -0.001 0.000 0.374 117 S C 0.206 174.779 174.600 -0.046 0.000 0.969 117 S CA 0.155 58.318 58.200 -0.062 0.000 1.198 117 S CB -1.822 61.352 63.200 -0.044 0.000 0.903 117 S HN 0.515 nan 8.310 nan 0.000 0.493 118 M N 1.655 121.216 119.600 -0.066 0.000 2.217 118 M HA 0.264 4.744 4.480 -0.001 0.000 0.354 118 M C 1.166 177.446 176.300 -0.032 0.000 1.225 118 M CA 0.384 55.656 55.300 -0.047 0.000 1.137 118 M CB 0.736 33.282 32.600 -0.090 0.000 1.576 118 M HN 0.606 nan 8.290 nan 0.000 0.461 119 T N -2.034 112.514 114.554 -0.009 0.000 2.644 119 T HA 0.325 4.674 4.350 -0.001 0.000 0.253 119 T C 0.830 175.533 174.700 0.004 0.000 0.910 119 T CA -0.782 61.314 62.100 -0.006 0.000 1.066 119 T CB 0.810 69.678 68.868 -0.001 0.000 1.484 119 T HN 0.667 nan 8.240 nan 0.000 0.560 120 E N 0.387 120.590 120.200 0.005 0.000 2.204 120 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 120 E C 1.501 178.112 176.600 0.019 0.000 0.990 120 E CA 0.971 57.372 56.400 0.002 0.000 0.821 120 E CB -0.080 29.620 29.700 0.000 0.000 0.750 120 E HN 0.512 nan 8.360 nan 0.000 0.477 121 D N 0.000 120.437 120.400 0.061 0.000 2.084 121 D HA -0.109 4.531 4.640 -0.001 0.000 0.196 121 D C 1.855 178.254 176.300 0.166 0.000 0.985 121 D CA 1.160 55.251 54.000 0.152 0.000 0.826 121 D CB 0.062 40.953 40.800 0.152 0.000 0.978 121 D HN 0.120 nan 8.370 nan 0.000 0.456 122 A N 1.028 123.913 122.820 0.110 0.000 2.019 122 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 122 A C 2.269 179.889 177.584 0.059 0.000 1.164 122 A CA 1.826 53.928 52.037 0.107 0.000 0.644 122 A CB -0.471 18.572 19.000 0.072 0.000 0.805 122 A HN 0.259 nan 8.150 nan 0.000 0.449 123 A N -0.243 122.582 122.820 0.009 0.000 2.024 123 A HA 0.009 4.329 4.320 -0.001 0.000 0.220 123 A C 2.112 179.651 177.584 -0.075 0.000 1.164 123 A CA 2.203 54.226 52.037 -0.023 0.000 0.643 123 A CB -0.723 18.256 19.000 -0.035 0.000 0.806 123 A HN 1.173 nan 8.150 nan 0.000 0.451 124 V N -6.392 113.415 119.914 -0.179 0.000 3.523 124 V HA 0.324 4.443 4.120 -0.001 0.000 0.255 124 V C 1.644 177.457 176.094 -0.469 0.000 1.226 124 V CA 0.505 62.579 62.300 -0.376 0.000 1.092 124 V CB -0.721 30.746 31.823 -0.594 0.000 0.817 124 V HN 0.338 nan 8.190 nan 0.000 0.458 125 F N 2.028 122.000 119.950 0.036 0.000 2.678 125 F HA 0.722 5.248 4.527 -0.001 0.000 0.305 125 F C 1.487 177.327 175.800 0.065 0.000 1.090 125 F CA 0.383 58.406 58.000 0.038 0.000 1.272 125 F CB 0.601 39.610 39.000 0.015 0.000 1.060 125 F HN 0.455 nan 8.300 nan 0.000 0.576 126 G N 0.455 109.390 108.800 0.224 0.000 2.781 126 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.683 126 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.683 126 G C 0.479 175.528 174.900 0.249 0.000 1.390 126 G CA -0.583 44.683 45.100 0.276 0.000 0.850 126 G HN 0.469 nan 8.290 nan 0.000 0.557 127 G N -0.686 108.354 108.800 0.399 0.000 3.609 127 G HA2 0.397 4.356 3.960 -0.001 0.000 0.280 127 G HA3 0.397 4.356 3.960 -0.001 0.000 0.280 127 G C 1.026 176.010 174.900 0.139 0.000 1.155 127 G CA 1.241 46.540 45.100 0.332 0.000 0.876 127 G HN 0.902 nan 8.290 nan 0.000 0.535 128 Q N 0.398 119.935 119.800 -0.438 0.000 2.084 128 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 128 Q C 2.351 178.091 176.000 -0.433 0.000 0.978 128 Q CA 1.907 57.126 55.803 -0.973 0.000 0.844 128 Q CB -0.152 27.927 28.738 -1.097 0.000 0.898 128 Q HN 0.433 nan 8.270 nan 0.000 0.426 129 Q N 0.122 119.763 119.800 -0.265 0.000 2.119 129 Q HA -0.067 4.273 4.340 -0.001 0.000 0.201 129 Q C 1.560 177.469 176.000 -0.151 0.000 0.972 129 Q CA 1.926 57.596 55.803 -0.222 0.000 0.847 129 Q CB -0.190 28.463 28.738 -0.142 0.000 0.903 129 Q HN 0.574 nan 8.270 nan 0.000 0.433 130 N N -0.471 118.206 118.700 -0.038 0.000 2.120 130 N HA -0.194 4.546 4.740 -0.001 0.000 0.188 130 N C 1.640 177.212 175.510 0.102 0.000 1.024 130 N CA 1.556 54.635 53.050 0.048 0.000 0.852 130 N CB -0.182 38.369 38.487 0.106 0.000 1.003 130 N HN 0.306 nan 8.380 nan 0.000 0.424 131 M N 1.914 121.579 119.600 0.109 0.000 2.117 131 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 131 M C 1.802 178.052 176.300 -0.083 0.000 1.065 131 M CA 1.589 56.944 55.300 0.091 0.000 1.114 131 M CB -0.023 32.573 32.600 -0.007 0.000 1.361 131 M HN -0.079 nan 8.290 nan 0.000 0.408 132 K N -0.116 120.090 120.400 -0.323 0.000 1.985 132 K HA -0.164 4.155 4.320 -0.001 0.000 0.210 132 K C 1.763 178.093 176.600 -0.451 0.000 1.047 132 K CA 1.779 57.636 56.287 -0.718 0.000 0.932 132 K CB -0.439 31.189 32.500 -1.452 0.000 0.716 132 K HN 0.383 nan 8.250 nan 0.000 0.439 133 D N -0.186 120.045 120.400 -0.282 0.000 2.144 133 D HA -0.094 4.546 4.640 -0.001 0.000 0.200 133 D C 1.953 178.301 176.300 0.081 0.000 0.978 133 D CA 1.257 55.249 54.000 -0.013 0.000 0.833 133 D CB -0.298 40.505 40.800 0.006 0.000 0.961 133 D HN 0.378 nan 8.370 nan 0.000 0.470 134 G N 1.023 109.892 108.800 0.115 0.000 2.404 134 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.215 134 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.215 134 G C 1.846 176.951 174.900 0.341 0.000 1.174 134 G CA 0.199 45.450 45.100 0.251 0.000 0.780 134 G HN 0.222 nan 8.290 nan 0.000 0.537 135 L N -0.127 121.235 121.223 0.233 0.000 2.046 135 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 135 L C 2.996 179.911 176.870 0.074 0.000 1.077 135 L CA 1.587 56.487 54.840 0.100 0.000 0.747 135 L CB -0.459 41.570 42.059 -0.050 0.000 0.896 135 L HN 0.318 nan 8.230 nan 0.000 0.432 136 Q N 0.132 119.995 119.800 0.105 0.000 2.050 136 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 136 Q C 2.026 178.066 176.000 0.068 0.000 0.980 136 Q CA 1.662 57.520 55.803 0.092 0.000 0.840 136 Q CB 0.097 28.962 28.738 0.210 0.000 0.898 136 Q HN 0.469 nan 8.270 nan 0.000 0.424 137 N N 0.270 119.032 118.700 0.103 0.000 2.084 137 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 137 N C 1.897 177.467 175.510 0.102 0.000 1.030 137 N CA 1.304 54.406 53.050 0.086 0.000 0.849 137 N CB -0.942 37.605 38.487 0.100 0.000 1.012 137 N HN 0.350 nan 8.380 nan 0.000 0.423 138 C N 1.551 120.962 119.300 0.185 0.000 2.432 138 C HA -0.041 4.418 4.460 -0.001 0.000 0.277 138 C C 2.653 177.765 174.990 0.203 0.000 1.249 138 C CA 0.931 60.122 59.018 0.288 0.000 1.725 138 C CB -0.876 27.089 27.740 0.375 0.000 2.028 138 C HN 0.437 nan 8.230 nan 0.000 0.477 139 K N 0.395 120.837 120.400 0.070 0.000 2.026 139 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 139 K C 2.164 178.751 176.600 -0.021 0.000 1.048 139 K CA 1.752 58.010 56.287 -0.048 0.000 0.929 139 K CB -0.388 31.922 32.500 -0.316 0.000 0.713 139 K HN 0.538 nan 8.250 nan 0.000 0.439 140 A N 0.247 123.049 122.820 -0.030 0.000 1.898 140 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 140 A C 2.139 179.684 177.584 -0.065 0.000 1.181 140 A CA 2.068 54.080 52.037 -0.041 0.000 0.620 140 A CB -0.793 18.184 19.000 -0.038 0.000 0.819 140 A HN 0.438 nan 8.150 nan 0.000 0.442 141 T N -1.831 112.648 114.554 -0.124 0.000 2.894 141 T HA -0.005 4.345 4.350 -0.001 0.000 0.258 141 T C 1.262 175.685 174.700 -0.461 0.000 1.043 141 T CA 1.448 63.332 62.100 -0.361 0.000 1.141 141 T CB -0.285 68.251 68.868 -0.553 0.000 0.873 141 T HN 0.543 nan 8.240 nan 0.000 0.449 142 Y N 0.689 121.061 120.300 0.119 0.000 2.467 142 Y HA 0.394 4.944 4.550 -0.001 0.000 0.250 142 Y C 0.690 176.739 175.900 0.249 0.000 1.155 142 Y CA -0.867 57.336 58.100 0.171 0.000 1.249 142 Y CB 0.015 38.592 38.460 0.196 0.000 1.146 142 Y HN 0.011 nan 8.280 nan 0.000 0.524 143 K N 0.316 120.867 120.400 0.252 0.000 3.148 143 K HA -0.173 4.146 4.320 -0.001 0.000 0.267 143 K C -2.805 173.927 176.600 0.221 0.000 0.996 143 K CA 0.193 56.598 56.287 0.197 0.000 0.737 143 K CB -1.452 31.138 32.500 0.149 0.000 1.308 143 K HN 0.295 nan 8.250 nan 0.000 0.470 144 P HA 0.068 nan 4.420 nan 0.000 0.274 144 P C -0.056 177.325 177.300 0.137 0.000 1.237 144 P CA -0.088 63.036 63.100 0.040 0.000 0.793 144 P CB 0.656 32.476 31.700 0.200 0.000 0.977 145 D N -0.059 120.317 120.400 -0.040 0.000 2.348 145 D HA 0.139 4.778 4.640 -0.001 0.000 0.211 145 D C 0.719 176.869 176.300 -0.251 0.000 0.998 145 D CA 1.071 55.063 54.000 -0.014 0.000 0.873 145 D CB 0.232 40.979 40.800 -0.088 0.000 0.925 145 D HN 0.344 nan 8.370 nan 0.000 0.524 146 M N 0.293 119.786 119.600 -0.178 0.000 2.414 146 M HA 0.351 4.831 4.480 -0.001 0.000 0.287 146 M C -2.120 174.165 176.300 -0.026 0.000 1.181 146 M CA -0.468 54.636 55.300 -0.328 0.000 0.933 146 M CB 2.476 34.943 32.600 -0.221 0.000 1.732 146 M HN -0.327 nan 8.290 nan 0.000 0.486 147 I N 3.464 124.032 120.570 -0.004 0.000 2.418 147 I HA 0.614 4.784 4.170 -0.001 0.000 0.287 147 I C -0.464 175.606 176.117 -0.078 0.000 1.008 147 I CA -0.689 60.658 61.300 0.078 0.000 1.104 147 I CB 1.968 40.065 38.000 0.162 0.000 1.264 147 I HN 0.797 nan 8.210 nan 0.000 0.438 148 A N 7.057 129.852 122.820 -0.042 0.000 2.256 148 A HA 0.684 5.003 4.320 -0.001 0.000 0.317 148 A C -0.513 177.064 177.584 -0.011 0.000 1.318 148 A CA -0.457 51.516 52.037 -0.108 0.000 0.894 148 A CB 0.686 19.608 19.000 -0.130 0.000 1.165 148 A HN 0.447 nan 8.150 nan 0.000 0.525 149 V N 3.280 123.171 119.914 -0.039 0.000 2.439 149 V HA 0.568 4.688 4.120 -0.001 0.000 0.282 149 V C 0.650 176.789 176.094 0.075 0.000 1.039 149 V CA 0.190 62.524 62.300 0.058 0.000 0.913 149 V CB 1.068 32.861 31.823 -0.050 0.000 0.983 149 V HN 1.099 nan 8.190 nan 0.000 0.460 150 S N 3.040 118.822 115.700 0.137 0.000 2.810 150 S HA 0.898 5.368 4.470 -0.001 0.000 0.315 150 S C -0.286 174.406 174.600 0.153 0.000 1.138 150 S CA -0.406 57.853 58.200 0.099 0.000 0.889 150 S CB 2.261 65.503 63.200 0.070 0.000 1.236 150 S HN 0.870 nan 8.310 nan 0.000 0.548 151 T N -1.141 113.487 114.554 0.124 0.000 2.900 151 T HA 0.708 5.057 4.350 -0.001 0.000 0.295 151 T C 0.014 174.805 174.700 0.150 0.000 1.044 151 T CA -0.433 61.761 62.100 0.156 0.000 0.995 151 T CB 1.121 70.073 68.868 0.140 0.000 1.072 151 T HN 1.045 nan 8.240 nan 0.000 0.473 152 T N -1.496 113.149 114.554 0.152 0.000 2.881 152 T HA 0.291 4.640 4.350 -0.001 0.000 0.278 152 T C 1.980 176.760 174.700 0.134 0.000 0.982 152 T CA -0.228 61.965 62.100 0.154 0.000 0.989 152 T CB 0.409 69.354 68.868 0.128 0.000 1.058 152 T HN 1.178 nan 8.240 nan 0.000 0.529 153 C N 1.778 121.169 119.300 0.153 0.000 2.422 153 C HA -0.047 4.412 4.460 -0.001 0.000 0.279 153 C C 2.694 177.811 174.990 0.211 0.000 1.305 153 C CA 0.902 60.053 59.018 0.222 0.000 1.757 153 C CB -2.129 25.783 27.740 0.288 0.000 1.962 153 C HN 0.989 nan 8.230 nan 0.000 0.499 154 M N 3.721 123.396 119.600 0.125 0.000 2.080 154 M HA 0.040 4.520 4.480 -0.001 0.000 0.260 154 M C 2.267 178.622 176.300 0.091 0.000 1.068 154 M CA 2.846 58.196 55.300 0.082 0.000 1.109 154 M CB -1.398 31.224 32.600 0.036 0.000 1.342 154 M HN 0.230 nan 8.290 nan 0.000 0.405 155 A N -0.064 122.806 122.820 0.083 0.000 1.933 155 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 155 A C 2.169 179.852 177.584 0.165 0.000 1.175 155 A CA 1.805 53.907 52.037 0.107 0.000 0.628 155 A CB -0.729 18.330 19.000 0.100 0.000 0.814 155 A HN 0.647 nan 8.150 nan 0.000 0.444 156 E N -0.098 120.221 120.200 0.198 0.000 2.051 156 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 156 E C 2.225 178.969 176.600 0.241 0.000 0.991 156 E CA 1.349 57.895 56.400 0.243 0.000 0.799 156 E CB -0.692 29.160 29.700 0.254 0.000 0.748 156 E HN 0.377 nan 8.360 nan 0.000 0.449 157 V N 2.539 122.593 119.914 0.233 0.000 2.407 157 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 157 V C 2.476 178.612 176.094 0.069 0.000 1.055 157 V CA 1.780 64.151 62.300 0.118 0.000 1.049 157 V CB -0.680 31.174 31.823 0.051 0.000 0.662 157 V HN 0.354 nan 8.190 nan 0.000 0.455 158 I N -1.317 119.300 120.570 0.077 0.000 3.428 158 I HA 0.334 4.503 4.170 -0.001 0.000 0.286 158 I C 1.439 177.597 176.117 0.067 0.000 1.287 158 I CA 0.980 62.316 61.300 0.060 0.000 1.396 158 I CB -0.477 37.561 38.000 0.062 0.000 1.062 158 I HN 0.377 nan 8.210 nan 0.000 0.471 159 G N 1.617 110.462 108.800 0.075 0.000 2.137 159 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.237 159 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.237 159 G C -0.418 174.486 174.900 0.006 0.000 1.002 159 G CA 0.171 45.298 45.100 0.044 0.000 0.702 159 G HN 0.512 nan 8.290 nan 0.000 0.515 160 D N 0.820 121.229 120.400 0.015 0.000 2.493 160 D HA 0.316 4.956 4.640 -0.001 0.000 0.240 160 D C 0.306 176.369 176.300 -0.395 0.000 1.142 160 D CA 0.273 54.141 54.000 -0.220 0.000 0.872 160 D CB 0.871 41.659 40.800 -0.020 0.000 1.173 160 D HN 0.213 nan 8.370 nan 0.000 0.467 161 D N 3.226 123.185 120.400 -0.734 0.000 2.422 161 D HA 0.056 4.695 4.640 -0.001 0.000 0.227 161 D C 1.251 177.132 176.300 -0.699 0.000 1.190 161 D CA -0.290 53.424 54.000 -0.476 0.000 0.905 161 D CB 0.400 41.027 40.800 -0.288 0.000 1.034 161 D HN 0.312 nan 8.370 nan 0.000 0.507 162 L N 3.398 124.294 121.223 -0.544 0.000 2.012 162 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 162 L C 2.162 178.556 176.870 -0.793 0.000 1.073 162 L CA 1.022 55.425 54.840 -0.728 0.000 0.748 162 L CB -0.506 41.033 42.059 -0.866 0.000 0.891 162 L HN 0.390 nan 8.230 nan 0.000 0.431 163 N N 0.278 118.437 118.700 -0.900 0.000 2.043 163 N HA -0.211 4.528 4.740 -0.001 0.000 0.193 163 N C 1.776 177.115 175.510 -0.286 0.000 1.037 163 N CA 1.903 54.531 53.050 -0.704 0.000 0.851 163 N CB -0.157 38.137 38.487 -0.322 0.000 1.027 163 N HN 0.295 nan 8.380 nan 0.000 0.422 164 A N -0.595 122.125 122.820 -0.168 0.000 1.933 164 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 164 A C 1.984 179.643 177.584 0.124 0.000 1.175 164 A CA 1.068 53.105 52.037 -0.000 0.000 0.628 164 A CB -0.924 18.110 19.000 0.056 0.000 0.814 164 A HN 0.357 nan 8.150 nan 0.000 0.444 165 F N -0.083 119.755 119.950 -0.187 0.000 2.146 165 F HA -0.052 4.474 4.527 -0.001 0.000 0.298 165 F C 2.181 177.865 175.800 -0.193 0.000 1.096 165 F CA 0.389 58.278 58.000 -0.186 0.000 1.275 165 F CB -0.904 37.949 39.000 -0.246 0.000 1.008 165 F HN 0.123 nan 8.300 nan 0.000 0.480 166 I N -0.109 120.433 120.570 -0.047 0.000 2.252 166 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 166 I C 2.059 178.162 176.117 -0.023 0.000 1.102 166 I CA 0.989 62.238 61.300 -0.085 0.000 1.385 166 I CB -0.465 37.442 38.000 -0.155 0.000 1.064 166 I HN 0.054 nan 8.210 nan 0.000 0.414 167 N N 1.124 119.813 118.700 -0.019 0.000 2.120 167 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 167 N C 1.477 177.003 175.510 0.027 0.000 1.024 167 N CA 1.425 54.484 53.050 0.014 0.000 0.852 167 N CB -0.670 37.824 38.487 0.011 0.000 1.003 167 N HN 0.476 nan 8.380 nan 0.000 0.424 168 N N -0.003 118.710 118.700 0.023 0.000 2.244 168 N HA -0.018 4.721 4.740 -0.001 0.000 0.183 168 N C 1.526 177.061 175.510 0.041 0.000 1.016 168 N CA 0.769 53.832 53.050 0.021 0.000 0.866 168 N CB 0.016 38.498 38.487 -0.010 0.000 0.980 168 N HN 0.078 nan 8.380 nan 0.000 0.430 169 S N 0.938 116.646 115.700 0.012 0.000 2.382 169 S HA -0.083 4.386 4.470 -0.001 0.000 0.228 169 S C 1.687 176.387 174.600 0.167 0.000 1.027 169 S CA 1.088 59.323 58.200 0.059 0.000 0.991 169 S CB -0.034 63.149 63.200 -0.028 0.000 0.823 169 S HN 0.305 nan 8.310 nan 0.000 0.469 170 K N 1.126 121.584 120.400 0.098 0.000 2.062 170 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 170 K C 2.246 178.893 176.600 0.078 0.000 1.051 170 K CA 0.888 57.229 56.287 0.090 0.000 0.941 170 K CB -0.128 32.417 32.500 0.075 0.000 0.719 170 K HN 0.195 nan 8.250 nan 0.000 0.440 171 K N 1.171 121.613 120.400 0.070 0.000 2.103 171 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 171 K C 1.228 177.863 176.600 0.058 0.000 1.048 171 K CA 1.413 57.732 56.287 0.053 0.000 0.930 171 K CB 0.219 32.746 32.500 0.045 0.000 0.716 171 K HN 0.011 nan 8.250 nan 0.000 0.444 172 E N -0.906 119.361 120.200 0.112 0.000 2.479 172 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 172 E C 0.843 177.428 176.600 -0.026 0.000 1.049 172 E CA 0.709 57.174 56.400 0.109 0.000 0.870 172 E CB 0.872 30.738 29.700 0.277 0.000 0.944 172 E HN 0.593 nan 8.360 nan 0.000 0.492 173 G N 0.899 109.700 108.800 0.002 0.000 2.157 173 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.248 173 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.248 173 G C 0.739 175.541 174.900 -0.163 0.000 0.979 173 G CA 0.226 45.263 45.100 -0.105 0.000 0.650 173 G HN 0.303 nan 8.290 nan 0.000 0.529 174 F N 0.647 120.577 119.950 -0.033 0.000 2.234 174 F HA 0.281 4.807 4.527 -0.001 0.000 0.299 174 F C 1.724 177.484 175.800 -0.066 0.000 1.087 174 F CA 1.643 59.618 58.000 -0.042 0.000 1.340 174 F CB 0.030 39.009 39.000 -0.036 0.000 1.031 174 F HN 0.470 nan 8.300 nan 0.000 0.500 175 I N -4.608 116.019 120.570 0.094 0.000 2.894 175 I HA 0.517 4.687 4.170 -0.001 0.000 0.302 175 I C -2.971 173.158 176.117 0.021 0.000 1.188 175 I CA -2.841 58.448 61.300 -0.018 0.000 1.014 175 I CB 1.573 39.534 38.000 -0.065 0.000 1.242 175 I HN -0.416 nan 8.210 nan 0.000 0.430 176 P HA 0.085 nan 4.420 nan 0.000 0.269 176 P C 0.029 177.404 177.300 0.125 0.000 1.209 176 P CA -0.019 63.126 63.100 0.075 0.000 0.776 176 P CB 0.593 32.352 31.700 0.098 0.000 0.876 177 D N 1.605 122.058 120.400 0.090 0.000 2.133 177 D HA -0.190 4.450 4.640 -0.001 0.000 0.195 177 D C 0.798 177.162 176.300 0.107 0.000 0.997 177 D CA 1.488 55.539 54.000 0.085 0.000 0.840 177 D CB 0.248 41.080 40.800 0.054 0.000 0.947 177 D HN 0.565 nan 8.370 nan 0.000 0.452 178 E N -0.790 119.481 120.200 0.117 0.000 2.463 178 E HA 0.013 4.362 4.350 -0.001 0.000 0.193 178 E C 0.154 176.845 176.600 0.152 0.000 1.041 178 E CA -0.533 55.933 56.400 0.111 0.000 0.879 178 E CB 0.178 29.924 29.700 0.075 0.000 0.997 178 E HN 0.142 nan 8.360 nan 0.000 0.478 179 F N 3.593 123.576 119.950 0.056 0.000 2.543 179 F HA 0.133 4.659 4.527 -0.001 0.000 0.375 179 F C -2.198 173.630 175.800 0.047 0.000 1.075 179 F CA -2.703 55.325 58.000 0.046 0.000 1.225 179 F CB 0.665 39.679 39.000 0.024 0.000 1.099 179 F HN -0.160 nan 8.300 nan 0.000 0.561 180 P HA 0.137 nan 4.420 nan 0.000 0.282 180 P C -0.968 175.971 177.300 -0.602 0.000 1.274 180 P CA 0.004 62.823 63.100 -0.468 0.000 0.770 180 P CB 1.156 32.660 31.700 -0.328 0.000 0.867 181 V N 5.851 125.411 119.914 -0.590 0.000 2.405 181 V HA 0.212 4.331 4.120 -0.001 0.000 0.253 181 V C -1.986 173.734 176.094 -0.623 0.000 0.963 181 V CA -1.701 60.355 62.300 -0.407 0.000 1.003 181 V CB 0.862 32.625 31.823 -0.100 0.000 1.251 181 V HN 0.493 nan 8.190 nan 0.000 0.520 182 P HA 0.370 nan 4.420 nan 0.000 0.272 182 P C -0.810 176.300 177.300 -0.316 0.000 1.223 182 P CA 0.155 62.794 63.100 -0.768 0.000 0.784 182 P CB 1.111 32.316 31.700 -0.826 0.000 0.923 183 F N -1.393 118.381 119.950 -0.293 0.000 2.662 183 F HA 0.855 5.382 4.527 -0.001 0.000 0.312 183 F C -1.787 173.897 175.800 -0.193 0.000 1.113 183 F CA -1.522 56.339 58.000 -0.233 0.000 0.951 183 F CB 1.220 40.083 39.000 -0.228 0.000 1.344 183 F HN 0.516 nan 8.300 nan 0.000 0.462 184 A N 0.933 123.738 122.820 -0.025 0.000 2.513 184 A HA 0.489 4.809 4.320 -0.001 0.000 0.296 184 A C -1.788 175.805 177.584 0.015 0.000 1.052 184 A CA -0.701 51.313 52.037 -0.038 0.000 0.714 184 A CB 0.710 19.648 19.000 -0.102 0.000 1.279 184 A HN 0.919 nan 8.150 nan 0.000 0.397 185 H N 2.102 121.236 119.070 0.107 0.000 2.848 185 H HA 0.288 4.844 4.556 -0.001 0.000 0.317 185 H C 0.223 175.555 175.328 0.006 0.000 1.046 185 H CA 1.609 57.694 56.048 0.061 0.000 1.470 185 H CB 0.773 30.564 29.762 0.048 0.000 1.483 185 H HN 0.670 nan 8.280 nan 0.000 0.548 186 T N 1.528 116.129 114.554 0.078 0.000 3.410 186 T HA 0.207 4.557 4.350 -0.001 0.000 0.328 186 T C -2.885 171.769 174.700 -0.077 0.000 1.567 186 T CA -1.900 60.202 62.100 0.003 0.000 1.626 186 T CB 0.888 69.761 68.868 0.009 0.000 0.939 186 T HN 0.300 nan 8.240 nan 0.000 0.656 187 P HA 0.153 nan 4.420 nan 0.000 0.271 187 P C 1.172 178.155 177.300 -0.528 0.000 1.226 187 P CA -0.123 62.656 63.100 -0.536 0.000 0.765 187 P CB 1.330 32.464 31.700 -0.942 0.000 0.835 188 S N 2.859 118.347 115.700 -0.353 0.000 2.474 188 S HA -0.143 4.327 4.470 -0.001 0.000 0.235 188 S C 1.276 175.830 174.600 -0.078 0.000 0.997 188 S CA 0.433 58.558 58.200 -0.126 0.000 0.949 188 S CB -1.251 61.974 63.200 0.041 0.000 0.766 188 S HN 0.485 nan 8.310 nan 0.000 0.517 189 F N 0.825 120.792 119.950 0.028 0.000 2.773 189 F HA 0.607 5.134 4.527 -0.001 0.000 0.304 189 F C -0.004 175.804 175.800 0.013 0.000 1.129 189 F CA -0.942 57.068 58.000 0.016 0.000 1.378 189 F CB -0.439 38.572 39.000 0.017 0.000 1.095 189 F HN -0.056 nan 8.300 nan 0.000 0.565 190 V N 1.039 120.878 119.914 -0.124 0.000 2.540 190 V HA 0.764 4.883 4.120 -0.001 0.000 0.302 190 V C 0.735 176.793 176.094 -0.060 0.000 1.035 190 V CA -0.559 61.712 62.300 -0.048 0.000 0.873 190 V CB 0.631 32.404 31.823 -0.083 0.000 0.992 190 V HN 0.631 nan 8.190 nan 0.000 0.428 191 G N 4.843 113.625 108.800 -0.029 0.000 2.583 191 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.292 191 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.292 191 G C 0.176 175.020 174.900 -0.093 0.000 1.203 191 G CA 0.744 45.811 45.100 -0.055 0.000 0.987 191 G HN 1.921 nan 8.290 nan 0.000 0.554 192 S N -2.415 113.201 115.700 -0.140 0.000 2.790 192 S HA 0.611 5.081 4.470 -0.001 0.000 0.292 192 S C 1.108 175.577 174.600 -0.218 0.000 1.197 192 S CA 0.690 58.785 58.200 -0.175 0.000 0.851 192 S CB 0.800 63.848 63.200 -0.253 0.000 1.217 192 S HN 1.850 nan 8.310 nan 0.000 0.526 193 H N 0.826 119.788 119.070 -0.180 0.000 2.390 193 H HA -0.092 4.463 4.556 -0.001 0.000 0.298 193 H C 2.122 177.314 175.328 -0.227 0.000 1.106 193 H CA 2.244 58.172 56.048 -0.199 0.000 1.297 193 H CB -1.327 28.261 29.762 -0.290 0.000 1.375 193 H HN 0.622 nan 8.280 nan 0.000 0.509 194 V N -0.100 119.242 119.914 -0.954 0.000 2.515 194 V HA -0.151 3.968 4.120 -0.001 0.000 0.250 194 V C 2.240 178.213 176.094 -0.201 0.000 1.058 194 V CA 1.871 63.754 62.300 -0.694 0.000 1.064 194 V CB -1.177 30.009 31.823 -1.062 0.000 0.675 194 V HN 0.385 nan 8.190 nan 0.000 0.461 195 T N 1.248 115.712 114.554 -0.149 0.000 2.821 195 T HA 0.023 4.373 4.350 -0.001 0.000 0.267 195 T C 1.970 176.711 174.700 0.069 0.000 1.046 195 T CA 1.556 63.654 62.100 -0.002 0.000 1.139 195 T CB -0.792 68.052 68.868 -0.039 0.000 0.871 195 T HN 0.686 nan 8.240 nan 0.000 0.454 196 G N -0.127 108.703 108.800 0.050 0.000 2.422 196 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 196 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 196 G C 1.324 176.333 174.900 0.182 0.000 1.146 196 G CA 0.441 45.593 45.100 0.087 0.000 0.769 196 G HN 0.568 nan 8.290 nan 0.000 0.547 197 W N 1.112 122.481 121.300 0.114 0.000 2.333 197 W HA -0.113 4.546 4.660 -0.001 0.000 0.316 197 W C 2.302 178.956 176.519 0.226 0.000 1.215 197 W CA 1.576 59.049 57.345 0.214 0.000 1.278 197 W CB -0.018 29.615 29.460 0.289 0.000 1.154 197 W HN 0.246 nan 8.180 nan 0.000 0.486 198 D N -0.055 120.710 120.400 0.608 0.000 2.116 198 D HA -0.254 4.385 4.640 -0.001 0.000 0.193 198 D C 1.776 178.231 176.300 0.260 0.000 0.998 198 D CA 1.862 56.142 54.000 0.467 0.000 0.836 198 D CB -0.573 40.419 40.800 0.321 0.000 0.951 198 D HN 0.048 nan 8.370 nan 0.000 0.449 199 N N -0.384 118.407 118.700 0.152 0.000 2.120 199 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 199 N C 1.742 177.237 175.510 -0.026 0.000 1.024 199 N CA 0.858 53.936 53.050 0.047 0.000 0.852 199 N CB -0.442 38.066 38.487 0.035 0.000 1.003 199 N HN 0.265 nan 8.380 nan 0.000 0.424 200 M N -0.101 119.477 119.600 -0.036 0.000 2.086 200 M HA -0.063 4.417 4.480 -0.001 0.000 0.261 200 M C 1.845 178.020 176.300 -0.207 0.000 1.067 200 M CA 1.233 56.447 55.300 -0.143 0.000 1.116 200 M CB -0.608 31.896 32.600 -0.160 0.000 1.348 200 M HN 0.116 nan 8.290 nan 0.000 0.407 201 F N 0.630 120.421 119.950 -0.265 0.000 2.102 201 F HA -0.204 4.323 4.527 -0.001 0.000 0.298 201 F C 2.387 178.099 175.800 -0.146 0.000 1.105 201 F CA 2.230 60.100 58.000 -0.217 0.000 1.239 201 F CB -0.556 38.377 39.000 -0.112 0.000 0.991 201 F HN 0.280 nan 8.300 nan 0.000 0.474 202 E N 0.347 120.514 120.200 -0.055 0.000 2.110 202 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 202 E C 2.404 178.705 176.600 -0.500 0.000 0.988 202 E CA 1.239 57.491 56.400 -0.247 0.000 0.804 202 E CB -0.748 28.889 29.700 -0.106 0.000 0.745 202 E HN 0.527 nan 8.360 nan 0.000 0.458 203 G N 1.328 109.875 108.800 -0.421 0.000 2.418 203 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 203 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 203 G C 1.747 176.338 174.900 -0.516 0.000 1.158 203 G CA 0.835 45.626 45.100 -0.516 0.000 0.771 203 G HN 0.263 nan 8.290 nan 0.000 0.545 204 I N 1.243 121.501 120.570 -0.519 0.000 2.202 204 I HA -0.112 4.057 4.170 -0.001 0.000 0.242 204 I C 3.291 179.228 176.117 -0.300 0.000 1.091 204 I CA 0.889 61.899 61.300 -0.483 0.000 1.368 204 I CB -0.228 37.342 38.000 -0.716 0.000 1.058 204 I HN 0.235 nan 8.210 nan 0.000 0.410 205 A N 0.870 123.417 122.820 -0.455 0.000 1.902 205 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 205 A C 2.471 179.989 177.584 -0.110 0.000 1.181 205 A CA 1.835 53.780 52.037 -0.153 0.000 0.623 205 A CB -0.669 18.189 19.000 -0.236 0.000 0.818 205 A HN 0.363 nan 8.150 nan 0.000 0.443 206 R N -2.135 118.019 120.500 -0.577 0.000 2.092 206 R HA -0.174 4.166 4.340 -0.001 0.000 0.231 206 R C 2.038 178.221 176.300 -0.195 0.000 1.119 206 R CA 1.725 57.519 56.100 -0.509 0.000 0.970 206 R CB -0.493 29.356 30.300 -0.752 0.000 0.864 206 R HN 0.597 nan 8.270 nan 0.000 0.440 207 Y N 0.086 120.153 120.300 -0.388 0.000 2.165 207 Y HA -0.233 4.317 4.550 -0.001 0.000 0.286 207 Y C 1.292 176.927 175.900 -0.442 0.000 1.155 207 Y CA 1.966 59.785 58.100 -0.468 0.000 1.164 207 Y CB -0.153 37.893 38.460 -0.691 0.000 0.978 207 Y HN 0.032 nan 8.280 nan 0.000 0.513 208 F N -1.189 118.773 119.950 0.019 0.000 2.776 208 F HA 0.072 4.599 4.527 -0.001 0.000 0.300 208 F C 1.990 177.802 175.800 0.020 0.000 1.116 208 F CA 1.089 59.093 58.000 0.007 0.000 1.375 208 F CB -0.004 39.021 39.000 0.042 0.000 1.109 208 F HN 0.162 nan 8.300 nan 0.000 0.585 209 T N -4.624 110.067 114.554 0.228 0.000 3.029 209 T HA 0.081 4.431 4.350 -0.001 0.000 0.256 209 T C 1.576 176.423 174.700 0.246 0.000 0.914 209 T CA 0.110 62.369 62.100 0.265 0.000 0.880 209 T CB -0.572 68.598 68.868 0.502 0.000 1.246 209 T HN 0.048 nan 8.240 nan 0.000 0.523 210 L N 1.688 123.051 121.223 0.232 0.000 2.017 210 L HA 0.231 4.571 4.340 -0.001 0.000 0.208 210 L C 1.787 178.713 176.870 0.094 0.000 1.073 210 L CA 1.812 56.780 54.840 0.213 0.000 0.745 210 L CB -0.451 41.701 42.059 0.156 0.000 0.894 210 L HN 0.016 nan 8.230 nan 0.000 0.432 211 K N -0.515 119.901 120.400 0.026 0.000 2.444 211 K HA 0.214 4.534 4.320 -0.001 0.000 0.193 211 K C 1.291 177.890 176.600 -0.002 0.000 1.024 211 K CA 0.808 57.092 56.287 -0.004 0.000 1.077 211 K CB -0.035 32.436 32.500 -0.048 0.000 0.833 211 K HN 0.548 nan 8.250 nan 0.000 0.517 212 S N -0.706 115.002 115.700 0.013 0.000 2.664 212 S HA 0.192 4.662 4.470 -0.001 0.000 0.245 212 S C 1.287 175.891 174.600 0.006 0.000 1.019 212 S CA -0.459 57.743 58.200 0.004 0.000 0.996 212 S CB 0.132 63.333 63.200 0.002 0.000 0.878 212 S HN -0.074 nan 8.310 nan 0.000 0.493 213 M N 3.171 122.783 119.600 0.019 0.000 2.394 213 M HA -0.044 4.436 4.480 -0.001 0.000 0.264 213 M C 1.789 178.087 176.300 -0.002 0.000 1.073 213 M CA 1.030 56.337 55.300 0.012 0.000 1.111 213 M CB -1.115 31.504 32.600 0.032 0.000 1.401 213 M HN 0.603 nan 8.290 nan 0.000 0.448 214 D N 0.533 120.932 120.400 -0.001 0.000 2.182 214 D HA -0.212 4.428 4.640 -0.001 0.000 0.201 214 D C 0.705 177.000 176.300 -0.009 0.000 0.986 214 D CA 1.563 55.561 54.000 -0.004 0.000 0.847 214 D CB -0.614 40.184 40.800 -0.003 0.000 0.942 214 D HN 0.437 nan 8.370 nan 0.000 0.467 215 D N 0.013 120.405 120.400 -0.014 0.000 2.340 215 D HA -0.006 4.633 4.640 -0.001 0.000 0.217 215 D C 0.183 176.469 176.300 -0.024 0.000 1.081 215 D CA -0.192 53.798 54.000 -0.017 0.000 0.842 215 D CB 0.034 40.823 40.800 -0.018 0.000 0.934 215 D HN -0.105 nan 8.370 nan 0.000 0.511 216 K N 0.375 120.758 120.400 -0.029 0.000 2.144 216 K HA 0.494 4.814 4.320 -0.001 0.000 0.270 216 K C -0.460 176.128 176.600 -0.020 0.000 1.005 216 K CA -0.840 55.423 56.287 -0.040 0.000 0.932 216 K CB 2.486 34.944 32.500 -0.069 0.000 1.021 216 K HN -0.095 nan 8.250 nan 0.000 0.462 217 V N 2.418 122.322 119.914 -0.016 0.000 2.524 217 V HA 0.115 4.234 4.120 -0.001 0.000 0.297 217 V C -0.169 175.933 176.094 0.014 0.000 1.035 217 V CA -1.158 61.142 62.300 -0.000 0.000 0.867 217 V CB 1.969 33.788 31.823 -0.007 0.000 1.004 217 V HN 0.449 nan 8.190 nan 0.000 0.426 218 V N 4.661 124.600 119.914 0.042 0.000 2.617 218 V HA 0.377 4.497 4.120 -0.001 0.000 0.304 218 V C 1.576 177.674 176.094 0.007 0.000 1.040 218 V CA 1.813 64.152 62.300 0.065 0.000 1.149 218 V CB 0.346 32.230 31.823 0.102 0.000 0.914 218 V HN 1.372 nan 8.190 nan 0.000 0.487 219 G N 3.958 112.744 108.800 -0.022 0.000 2.199 219 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 219 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 219 G C 1.145 176.027 174.900 -0.030 0.000 0.982 219 G CA 1.013 46.089 45.100 -0.040 0.000 0.632 219 G HN 1.202 nan 8.290 nan 0.000 0.529 220 S N 1.149 116.836 115.700 -0.023 0.000 2.419 220 S HA -0.133 4.337 4.470 -0.001 0.000 0.233 220 S C 1.812 176.394 174.600 -0.030 0.000 1.016 220 S CA 1.773 59.958 58.200 -0.025 0.000 0.974 220 S CB -0.348 62.838 63.200 -0.023 0.000 0.786 220 S HN 1.198 nan 8.310 nan 0.000 0.492 221 N N 0.958 119.637 118.700 -0.035 0.000 2.280 221 N HA 0.087 4.826 4.740 -0.001 0.000 0.192 221 N C 0.185 175.674 175.510 -0.035 0.000 1.109 221 N CA 0.189 53.216 53.050 -0.038 0.000 0.855 221 N CB -0.539 37.920 38.487 -0.047 0.000 0.974 221 N HN 0.532 nan 8.380 nan 0.000 0.482 222 K N -1.279 119.101 120.400 -0.033 0.000 3.274 222 K HA -0.227 4.093 4.320 -0.001 0.000 0.300 222 K C -0.664 175.922 176.600 -0.023 0.000 1.230 222 K CA 1.020 57.289 56.287 -0.029 0.000 0.884 222 K CB -1.453 31.033 32.500 -0.024 0.000 1.242 222 K HN 0.435 nan 8.250 nan 0.000 0.467 223 K N 0.426 120.812 120.400 -0.024 0.000 2.211 223 K HA 0.598 4.918 4.320 -0.001 0.000 0.237 223 K C 0.076 176.680 176.600 0.006 0.000 1.002 223 K CA -0.889 55.396 56.287 -0.002 0.000 0.885 223 K CB 1.405 33.899 32.500 -0.011 0.000 1.136 223 K HN -0.020 nan 8.250 nan 0.000 0.448 224 I N 2.084 122.685 120.570 0.052 0.000 2.354 224 I HA 0.182 4.352 4.170 -0.001 0.000 0.292 224 I C -0.365 175.835 176.117 0.137 0.000 0.989 224 I CA -0.979 60.356 61.300 0.059 0.000 1.188 224 I CB 1.305 39.328 38.000 0.038 0.000 1.342 224 I HN 0.416 nan 8.210 nan 0.000 0.457 225 N N 6.750 125.547 118.700 0.162 0.000 2.529 225 N HA 0.386 5.125 4.740 -0.001 0.000 0.278 225 N C -0.656 174.994 175.510 0.234 0.000 1.146 225 N CA -0.168 53.028 53.050 0.244 0.000 0.980 225 N CB 1.620 40.324 38.487 0.362 0.000 1.124 225 N HN 0.337 nan 8.380 nan 0.000 0.458 226 I N 2.021 122.737 120.570 0.243 0.000 2.436 226 I HA 0.280 4.450 4.170 -0.001 0.000 0.289 226 I C -0.272 175.947 176.117 0.170 0.000 1.010 226 I CA -0.788 60.627 61.300 0.192 0.000 1.098 226 I CB 1.508 39.617 38.000 0.181 0.000 1.266 226 I HN 0.033 nan 8.210 nan 0.000 0.434 227 V N 8.816 128.779 119.914 0.083 0.000 2.357 227 V HA 0.307 4.427 4.120 -0.001 0.000 0.284 227 V C -1.424 174.612 176.094 -0.096 0.000 1.018 227 V CA -1.000 61.278 62.300 -0.038 0.000 0.841 227 V CB 1.683 33.371 31.823 -0.224 0.000 0.991 227 V HN 0.585 nan 8.190 nan 0.000 0.437 228 P HA 0.130 nan 4.420 nan 0.000 0.230 228 P C 0.839 177.888 177.300 -0.418 0.000 1.168 228 P CA 1.303 64.316 63.100 -0.145 0.000 0.793 228 P CB 0.531 32.285 31.700 0.090 0.000 0.851 229 G N 0.798 109.054 108.800 -0.907 0.000 2.697 229 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.240 229 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.240 229 G C -0.806 173.299 174.900 -1.325 0.000 1.346 229 G CA -0.393 43.854 45.100 -1.421 0.000 0.887 229 G HN 0.294 nan 8.290 nan 0.000 0.569 230 F N 1.799 121.173 119.950 -0.959 0.000 2.519 230 F HA 0.529 5.055 4.527 -0.001 0.000 0.375 230 F C 0.449 176.113 175.800 -0.227 0.000 1.084 230 F CA 0.650 58.320 58.000 -0.550 0.000 1.147 230 F CB 0.733 39.505 39.000 -0.379 0.000 1.088 230 F HN 0.689 nan 8.300 nan 0.000 0.555 231 E N 3.430 123.445 120.200 -0.308 0.000 2.278 231 E HA 0.288 4.638 4.350 -0.001 0.000 0.272 231 E C -0.338 176.161 176.600 -0.168 0.000 0.890 231 E CA -0.406 55.854 56.400 -0.232 0.000 0.770 231 E CB 1.390 30.831 29.700 -0.432 0.000 1.212 231 E HN 0.484 nan 8.360 nan 0.000 0.415 232 T N 0.721 115.180 114.554 -0.158 0.000 3.170 232 T HA 0.301 4.650 4.350 -0.001 0.000 0.288 232 T C -0.391 174.341 174.700 0.053 0.000 0.992 232 T CA -0.163 61.912 62.100 -0.042 0.000 0.909 232 T CB -0.345 68.203 68.868 -0.534 0.000 1.133 232 T HN 0.254 nan 8.240 nan 0.000 0.530 233 Y N 1.457 121.836 120.300 0.131 0.000 2.331 233 Y HA 0.541 5.091 4.550 -0.001 0.000 0.338 233 Y C 1.285 177.272 175.900 0.145 0.000 0.976 233 Y CA -1.866 56.319 58.100 0.142 0.000 1.137 233 Y CB 1.267 39.736 38.460 0.014 0.000 1.172 233 Y HN -0.026 nan 8.280 nan 0.000 0.478 234 L N 2.127 123.612 121.223 0.437 0.000 2.079 234 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 234 L C 2.277 179.307 176.870 0.266 0.000 1.081 234 L CA 1.594 56.677 54.840 0.406 0.000 0.752 234 L CB -0.530 41.723 42.059 0.324 0.000 0.896 234 L HN 0.938 nan 8.230 nan 0.000 0.433 235 G N -0.322 108.577 108.800 0.165 0.000 2.470 235 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 235 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 235 G C 1.385 176.285 174.900 0.000 0.000 1.121 235 G CA 0.542 45.680 45.100 0.063 0.000 0.766 235 G HN 0.326 nan 8.290 nan 0.000 0.553 236 N N 0.342 119.010 118.700 -0.054 0.000 2.250 236 N HA -0.009 4.730 4.740 -0.001 0.000 0.181 236 N C 1.754 177.142 175.510 -0.205 0.000 1.017 236 N CA 0.548 53.484 53.050 -0.190 0.000 0.866 236 N CB -0.403 37.923 38.487 -0.268 0.000 0.985 236 N HN 0.325 nan 8.380 nan 0.000 0.429 237 F N 1.421 121.378 119.950 0.011 0.000 2.134 237 F HA 0.000 4.527 4.527 -0.001 0.000 0.299 237 F C 2.322 178.113 175.800 -0.016 0.000 1.097 237 F CA 0.880 58.878 58.000 -0.004 0.000 1.264 237 F CB -0.339 38.669 39.000 0.014 0.000 1.001 237 F HN -0.048 nan 8.300 nan 0.000 0.479 238 R N -0.402 120.200 120.500 0.169 0.000 2.090 238 R HA -0.070 4.269 4.340 -0.001 0.000 0.228 238 R C 2.293 178.607 176.300 0.024 0.000 1.110 238 R CA 1.087 57.243 56.100 0.094 0.000 0.973 238 R CB -0.834 29.518 30.300 0.086 0.000 0.869 238 R HN 0.214 nan 8.270 nan 0.000 0.440 239 V N 1.192 121.094 119.914 -0.019 0.000 2.548 239 V HA -0.157 3.963 4.120 -0.001 0.000 0.249 239 V C 1.937 177.980 176.094 -0.085 0.000 1.055 239 V CA 1.323 63.589 62.300 -0.057 0.000 1.065 239 V CB -0.169 31.598 31.823 -0.094 0.000 0.681 239 V HN 0.215 nan 8.190 nan 0.000 0.462 240 I N 0.168 120.675 120.570 -0.105 0.000 2.179 240 I HA -0.194 3.976 4.170 -0.001 0.000 0.242 240 I C 2.480 178.495 176.117 -0.169 0.000 1.088 240 I CA 1.699 62.921 61.300 -0.130 0.000 1.357 240 I CB -1.306 36.615 38.000 -0.132 0.000 1.051 240 I HN 0.367 nan 8.210 nan 0.000 0.409 241 K N 0.099 120.404 120.400 -0.158 0.000 2.063 241 K HA -0.199 4.121 4.320 -0.001 0.000 0.208 241 K C 2.267 178.800 176.600 -0.111 0.000 1.048 241 K CA 0.999 57.150 56.287 -0.227 0.000 0.928 241 K CB -0.222 32.289 32.500 0.019 0.000 0.713 241 K HN 0.194 nan 8.250 nan 0.000 0.442 242 R N 1.358 121.835 120.500 -0.038 0.000 2.073 242 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 242 R C 2.128 178.422 176.300 -0.009 0.000 1.134 242 R CA 1.587 57.685 56.100 -0.003 0.000 0.952 242 R CB -0.223 30.080 30.300 0.006 0.000 0.850 242 R HN 0.225 nan 8.270 nan 0.000 0.433 243 M N 0.464 120.048 119.600 -0.027 0.000 2.132 243 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 243 M C 2.361 178.662 176.300 0.000 0.000 1.065 243 M CA 1.424 56.725 55.300 0.003 0.000 1.122 243 M CB -0.227 32.382 32.600 0.016 0.000 1.365 243 M HN 0.096 nan 8.290 nan 0.000 0.411 244 L N -0.984 120.202 121.223 -0.061 0.000 2.046 244 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 244 L C 2.772 179.664 176.870 0.036 0.000 1.077 244 L CA 1.185 55.987 54.840 -0.064 0.000 0.747 244 L CB -0.790 41.102 42.059 -0.277 0.000 0.896 244 L HN 0.315 nan 8.230 nan 0.000 0.432 245 S N -0.309 115.427 115.700 0.060 0.000 2.382 245 S HA -0.211 4.258 4.470 -0.001 0.000 0.228 245 S C 1.861 176.505 174.600 0.072 0.000 1.027 245 S CA 1.400 59.674 58.200 0.125 0.000 0.991 245 S CB -0.127 63.154 63.200 0.136 0.000 0.823 245 S HN 0.410 nan 8.310 nan 0.000 0.469 246 E N 0.044 120.273 120.200 0.049 0.000 2.153 246 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 246 E C 1.844 178.468 176.600 0.039 0.000 0.988 246 E CA 1.029 57.454 56.400 0.042 0.000 0.811 246 E CB -0.107 29.618 29.700 0.040 0.000 0.746 246 E HN 0.577 nan 8.360 nan 0.000 0.466 247 M N -0.894 118.728 119.600 0.038 0.000 2.595 247 M HA 0.065 4.545 4.480 -0.001 0.000 0.248 247 M C 1.106 177.425 176.300 0.032 0.000 1.119 247 M CA 0.711 56.029 55.300 0.030 0.000 1.079 247 M CB 0.562 33.173 32.600 0.017 0.000 1.472 247 M HN 0.240 nan 8.290 nan 0.000 0.501 248 G N 1.404 110.232 108.800 0.047 0.000 2.160 248 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.244 248 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.244 248 G C -0.080 174.852 174.900 0.053 0.000 1.022 248 G CA -0.191 44.937 45.100 0.047 0.000 0.741 248 G HN 0.334 nan 8.290 nan 0.000 0.508 249 V N 0.750 120.710 119.914 0.077 0.000 2.432 249 V HA 0.653 4.773 4.120 -0.001 0.000 0.275 249 V C 1.305 177.496 176.094 0.163 0.000 1.043 249 V CA 0.020 62.372 62.300 0.088 0.000 0.925 249 V CB 1.441 33.301 31.823 0.062 0.000 0.985 249 V HN 0.710 nan 8.190 nan 0.000 0.466 250 G N 4.611 113.468 108.800 0.095 0.000 2.403 250 G HA2 0.484 4.443 3.960 -0.001 0.000 0.259 250 G HA3 0.484 4.443 3.960 -0.001 0.000 0.259 250 G C -0.916 174.056 174.900 0.120 0.000 1.244 250 G CA -0.021 45.113 45.100 0.057 0.000 0.849 250 G HN 0.901 nan 8.290 nan 0.000 0.532 251 Y N -0.898 119.409 120.300 0.012 0.000 2.625 251 Y HA 0.777 5.327 4.550 -0.001 0.000 0.338 251 Y C -0.541 175.380 175.900 0.035 0.000 1.123 251 Y CA -1.577 56.539 58.100 0.027 0.000 1.046 251 Y CB 1.293 39.779 38.460 0.042 0.000 1.299 251 Y HN 0.392 nan 8.280 nan 0.000 0.464 252 S N 2.382 118.166 115.700 0.140 0.000 2.779 252 S HA 0.396 4.865 4.470 -0.001 0.000 0.293 252 S C -1.645 173.113 174.600 0.262 0.000 1.150 252 S CA -0.526 57.726 58.200 0.087 0.000 1.057 252 S CB 1.228 64.464 63.200 0.060 0.000 1.021 252 S HN 0.746 nan 8.310 nan 0.000 0.485 253 L N 5.148 126.547 121.223 0.293 0.000 2.325 253 L HA 0.464 4.803 4.340 -0.001 0.000 0.284 253 L C -1.039 175.937 176.870 0.176 0.000 1.089 253 L CA 0.029 55.027 54.840 0.264 0.000 0.836 253 L CB -0.021 42.200 42.059 0.270 0.000 1.184 253 L HN 0.592 nan 8.230 nan 0.000 0.444 254 L N 5.622 126.992 121.223 0.246 0.000 2.264 254 L HA 0.426 4.766 4.340 -0.001 0.000 0.287 254 L C 0.349 177.413 176.870 0.323 0.000 1.039 254 L CA -0.593 54.452 54.840 0.342 0.000 0.829 254 L CB 0.758 43.203 42.059 0.645 0.000 1.211 254 L HN 0.860 nan 8.230 nan 0.000 0.427 255 S N 2.620 118.223 115.700 -0.161 0.000 3.581 255 S HA -0.144 4.326 4.470 -0.001 0.000 0.763 255 S C -0.796 173.701 174.600 -0.173 0.000 0.502 255 S CA -0.245 57.748 58.200 -0.344 0.000 1.470 255 S CB -0.406 62.898 63.200 0.173 0.000 0.924 255 S HN 0.873 nan 8.310 nan 0.000 1.062 256 D N 5.499 125.684 120.400 -0.357 0.000 2.363 256 D HA 0.444 5.084 4.640 -0.001 0.000 0.258 256 D C -1.615 174.404 176.300 -0.468 0.000 1.259 256 D CA -1.684 52.088 54.000 -0.381 0.000 0.921 256 D CB 1.267 41.937 40.800 -0.216 0.000 1.201 256 D HN 0.300 nan 8.370 nan 0.000 0.524 257 P HA 0.067 nan 4.420 nan 0.000 0.261 257 P C 0.690 177.702 177.300 -0.481 0.000 1.352 257 P CA 0.149 62.953 63.100 -0.493 0.000 0.891 257 P CB 0.338 31.767 31.700 -0.451 0.000 1.383 258 E N 0.319 120.197 120.200 -0.537 0.000 2.110 258 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 258 E C 1.629 178.145 176.600 -0.140 0.000 0.988 258 E CA 1.170 57.403 56.400 -0.279 0.000 0.804 258 E CB -0.686 28.929 29.700 -0.142 0.000 0.745 258 E HN 0.076 nan 8.360 nan 0.000 0.458 259 E N 0.630 120.747 120.200 -0.138 0.000 2.072 259 E HA -0.087 4.263 4.350 -0.001 0.000 0.190 259 E C 2.277 178.826 176.600 -0.084 0.000 0.982 259 E CA 1.095 57.447 56.400 -0.080 0.000 0.803 259 E CB -0.401 29.260 29.700 -0.065 0.000 0.755 259 E HN 0.255 nan 8.360 nan 0.000 0.453 260 V N 1.083 120.926 119.914 -0.119 0.000 2.809 260 V HA -0.110 4.010 4.120 -0.001 0.000 0.256 260 V C 1.812 177.826 176.094 -0.134 0.000 1.080 260 V CA 0.890 63.126 62.300 -0.106 0.000 1.102 260 V CB -0.163 31.607 31.823 -0.090 0.000 0.705 260 V HN 0.156 nan 8.190 nan 0.000 0.475 261 L N -0.206 120.900 121.223 -0.196 0.000 2.685 261 L HA 0.331 4.671 4.340 -0.001 0.000 0.233 261 L C 0.422 177.253 176.870 -0.065 0.000 1.173 261 L CA 0.346 55.034 54.840 -0.253 0.000 0.961 261 L CB 0.134 41.872 42.059 -0.535 0.000 1.217 261 L HN 0.246 nan 8.230 nan 0.000 0.478 262 D N -0.163 120.229 120.400 -0.013 0.000 3.279 262 D HA 0.018 4.658 4.640 -0.001 0.000 0.336 262 D C 0.352 176.674 176.300 0.037 0.000 1.512 262 D CA -0.091 53.943 54.000 0.056 0.000 0.754 262 D CB 0.454 41.301 40.800 0.078 0.000 1.278 262 D HN 0.044 nan 8.370 nan 0.000 0.553 263 T N -0.414 114.158 114.554 0.030 0.000 2.918 263 T HA 0.518 4.868 4.350 -0.001 0.000 0.302 263 T C -1.828 172.899 174.700 0.046 0.000 1.045 263 T CA -1.031 61.085 62.100 0.028 0.000 1.114 263 T CB 1.113 69.993 68.868 0.021 0.000 0.965 263 T HN 0.007 nan 8.240 nan 0.000 0.540 264 P HA 0.367 nan 4.420 nan 0.000 0.274 264 P C -0.895 176.436 177.300 0.051 0.000 1.231 264 P CA -0.690 62.434 63.100 0.040 0.000 0.790 264 P CB 0.516 32.233 31.700 0.028 0.000 0.951 265 A N 2.164 125.015 122.820 0.051 0.000 2.650 265 A HA 0.295 4.614 4.320 -0.001 0.000 0.320 265 A C 0.381 177.991 177.584 0.044 0.000 1.466 265 A CA -0.330 51.740 52.037 0.055 0.000 1.099 265 A CB -0.786 18.246 19.000 0.054 0.000 1.136 265 A HN 0.588 nan 8.150 nan 0.000 0.532 266 D N 0.909 121.336 120.400 0.045 0.000 2.563 266 D HA 0.293 4.933 4.640 -0.001 0.000 0.237 266 D C 0.857 177.180 176.300 0.039 0.000 1.282 266 D CA 0.504 54.526 54.000 0.036 0.000 0.816 266 D CB -0.182 40.636 40.800 0.030 0.000 1.066 266 D HN 1.001 nan 8.370 nan 0.000 0.501 267 G N 0.800 109.629 108.800 0.048 0.000 2.195 267 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.224 267 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.224 267 G C -0.048 174.889 174.900 0.062 0.000 0.990 267 G CA 0.160 45.290 45.100 0.049 0.000 0.639 267 G HN 0.703 nan 8.290 nan 0.000 0.514 268 Q N -0.649 119.194 119.800 0.072 0.000 2.372 268 Q HA 0.735 5.074 4.340 -0.001 0.000 0.273 268 Q C -1.019 175.068 176.000 0.144 0.000 1.078 268 Q CA -1.363 54.496 55.803 0.093 0.000 0.806 268 Q CB 2.190 30.962 28.738 0.058 0.000 1.332 268 Q HN 0.510 nan 8.270 nan 0.000 0.435 269 F N 2.295 122.250 119.950 0.009 0.000 2.420 269 F HA 0.434 4.960 4.527 -0.001 0.000 0.352 269 F C -0.755 175.041 175.800 -0.006 0.000 1.108 269 F CA -0.725 57.275 58.000 0.000 0.000 1.162 269 F CB 0.980 39.980 39.000 -0.001 0.000 1.118 269 F HN 0.548 nan 8.300 nan 0.000 0.510 270 R N 7.623 127.817 120.500 -0.511 0.000 2.239 270 R HA 0.231 4.570 4.340 -0.001 0.000 0.332 270 R C 1.155 176.898 176.300 -0.928 0.000 0.988 270 R CA -0.420 55.334 56.100 -0.576 0.000 0.859 270 R CB 1.264 31.428 30.300 -0.228 0.000 1.148 270 R HN 0.945 nan 8.270 nan 0.000 0.482 271 M N 2.269 121.165 119.600 -1.174 0.000 2.159 271 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 271 M C -0.565 175.316 176.300 -0.700 0.000 1.063 271 M CA 1.815 56.502 55.300 -1.022 0.000 1.110 271 M CB 0.380 32.417 32.600 -0.938 0.000 1.374 271 M HN 0.397 nan 8.290 nan 0.000 0.411 272 Y N -0.344 119.842 120.300 -0.189 0.000 2.485 272 Y HA 0.718 5.268 4.550 -0.001 0.000 0.345 272 Y C -0.430 175.405 175.900 -0.108 0.000 0.998 272 Y CA -1.267 56.770 58.100 -0.106 0.000 1.059 272 Y CB 1.564 39.991 38.460 -0.055 0.000 1.234 272 Y HN 0.067 nan 8.280 nan 0.000 0.461 273 A N 1.246 124.104 122.820 0.064 0.000 2.540 273 A HA 0.707 5.027 4.320 -0.001 0.000 0.297 273 A C 0.146 177.718 177.584 -0.020 0.000 1.056 273 A CA -0.204 51.836 52.037 0.004 0.000 0.700 273 A CB 0.761 19.743 19.000 -0.029 0.000 1.280 273 A HN 1.636 nan 8.150 nan 0.000 0.398 274 G N 1.052 109.835 108.800 -0.028 0.000 2.566 274 G HA2 0.480 4.440 3.960 -0.001 0.000 0.280 274 G HA3 0.480 4.440 3.960 -0.001 0.000 0.280 274 G C 1.481 176.339 174.900 -0.071 0.000 1.225 274 G CA 1.232 46.300 45.100 -0.053 0.000 0.966 274 G HN 3.235 nan 8.290 nan 0.000 0.560 275 G N -3.544 105.189 108.800 -0.112 0.000 2.662 275 G HA2 0.397 4.356 3.960 -0.001 0.000 0.686 275 G HA3 0.397 4.356 3.960 -0.001 0.000 0.686 275 G C -0.132 174.677 174.900 -0.152 0.000 1.271 275 G CA 0.368 45.373 45.100 -0.158 0.000 0.816 275 G HN 1.996 nan 8.290 nan 0.000 0.608 276 T N 1.777 116.186 114.554 -0.242 0.000 2.888 276 T HA 0.498 4.848 4.350 -0.001 0.000 0.301 276 T C 1.355 176.025 174.700 -0.050 0.000 1.001 276 T CA 0.870 62.868 62.100 -0.170 0.000 1.147 276 T CB 0.629 69.306 68.868 -0.318 0.000 0.931 276 T HN 1.431 nan 8.240 nan 0.000 0.541 277 T N 1.726 116.248 114.554 -0.054 0.000 2.882 277 T HA 0.206 4.556 4.350 -0.001 0.000 0.287 277 T C 1.344 175.962 174.700 -0.137 0.000 1.014 277 T CA -0.779 61.276 62.100 -0.075 0.000 1.049 277 T CB 0.950 69.766 68.868 -0.086 0.000 1.001 277 T HN 0.593 nan 8.240 nan 0.000 0.525 278 Q N 0.491 120.154 119.800 -0.229 0.000 2.096 278 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 278 Q C 2.163 177.932 176.000 -0.385 0.000 0.982 278 Q CA 1.972 57.472 55.803 -0.506 0.000 0.850 278 Q CB -0.223 28.264 28.738 -0.417 0.000 0.901 278 Q HN 0.811 nan 8.270 nan 0.000 0.422 279 E N 1.134 121.211 120.200 -0.205 0.000 2.085 279 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 279 E C 1.733 178.254 176.600 -0.132 0.000 0.994 279 E CA 1.372 57.688 56.400 -0.140 0.000 0.801 279 E CB -0.087 29.556 29.700 -0.095 0.000 0.743 279 E HN 0.384 nan 8.360 nan 0.000 0.453 280 E N -0.195 119.935 120.200 -0.117 0.000 2.077 280 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 280 E C 1.957 178.516 176.600 -0.069 0.000 0.989 280 E CA 1.217 57.571 56.400 -0.077 0.000 0.800 280 E CB -0.117 29.556 29.700 -0.045 0.000 0.746 280 E HN 0.151 nan 8.360 nan 0.000 0.452 281 M N 1.266 120.802 119.600 -0.107 0.000 2.132 281 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 281 M C 1.631 177.886 176.300 -0.074 0.000 1.065 281 M CA 1.703 56.968 55.300 -0.058 0.000 1.122 281 M CB 0.121 32.651 32.600 -0.117 0.000 1.365 281 M HN -0.173 nan 8.290 nan 0.000 0.411 282 K N -0.646 119.675 120.400 -0.132 0.000 2.097 282 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 282 K C 1.460 177.995 176.600 -0.107 0.000 1.049 282 K CA 1.587 57.845 56.287 -0.048 0.000 0.933 282 K CB -0.284 32.196 32.500 -0.033 0.000 0.717 282 K HN 0.375 nan 8.250 nan 0.000 0.442 283 D N 0.041 120.364 120.400 -0.129 0.000 2.348 283 D HA 0.064 4.703 4.640 -0.001 0.000 0.211 283 D C 1.524 177.696 176.300 -0.213 0.000 0.998 283 D CA 0.376 54.291 54.000 -0.142 0.000 0.873 283 D CB 0.218 40.957 40.800 -0.102 0.000 0.925 283 D HN 0.160 nan 8.370 nan 0.000 0.524 284 A N 1.102 123.749 122.820 -0.289 0.000 1.978 284 A HA -0.099 4.221 4.320 -0.001 0.000 0.220 284 A C -0.301 176.887 177.584 -0.659 0.000 1.170 284 A CA 1.008 52.804 52.037 -0.402 0.000 0.636 284 A CB -1.422 17.333 19.000 -0.407 0.000 0.810 284 A HN 0.269 nan 8.150 nan 0.000 0.448 285 P HA -0.074 nan 4.420 nan 0.000 0.225 285 P C 0.716 177.920 177.300 -0.161 0.000 1.148 285 P CA 0.807 63.430 63.100 -0.795 0.000 0.779 285 P CB -0.097 31.126 31.700 -0.794 0.000 0.780 286 N N -0.568 118.048 118.700 -0.139 0.000 2.521 286 N HA 0.042 4.781 4.740 -0.001 0.000 0.188 286 N C 0.815 176.317 175.510 -0.014 0.000 1.146 286 N CA 0.175 53.196 53.050 -0.048 0.000 0.893 286 N CB -0.298 38.147 38.487 -0.071 0.000 0.975 286 N HN 0.098 nan 8.380 nan 0.000 0.451 287 A N 0.276 123.103 122.820 0.011 0.000 2.386 287 A HA 0.205 4.525 4.320 -0.001 0.000 0.246 287 A C 1.565 179.047 177.584 -0.169 0.000 1.089 287 A CA -0.312 51.698 52.037 -0.046 0.000 0.790 287 A CB 0.286 19.291 19.000 0.008 0.000 1.042 287 A HN 0.155 nan 8.150 nan 0.000 0.497 288 L N 0.065 121.189 121.223 -0.164 0.000 2.046 288 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 288 L C 1.098 177.756 176.870 -0.354 0.000 1.077 288 L CA 1.371 56.098 54.840 -0.189 0.000 0.747 288 L CB -0.306 41.687 42.059 -0.109 0.000 0.896 288 L HN 0.823 nan 8.230 nan 0.000 0.432 289 N N -2.557 115.886 118.700 -0.429 0.000 3.356 289 N HA 0.205 4.945 4.740 -0.001 0.000 0.246 289 N C -1.493 173.949 175.510 -0.115 0.000 1.480 289 N CA -0.373 52.432 53.050 -0.408 0.000 0.877 289 N CB 1.593 39.988 38.487 -0.153 0.000 1.431 289 N HN -0.336 nan 8.380 nan 0.000 0.500 290 T N 0.380 115.009 114.554 0.126 0.000 2.879 290 T HA 0.524 4.873 4.350 -0.001 0.000 0.290 290 T C -0.836 173.951 174.700 0.145 0.000 0.993 290 T CA -0.366 61.891 62.100 0.262 0.000 0.975 290 T CB 1.442 70.613 68.868 0.505 0.000 0.981 290 T HN 0.186 nan 8.240 nan 0.000 0.439 291 V N 4.751 124.737 119.914 0.120 0.000 2.435 291 V HA 0.468 4.588 4.120 -0.001 0.000 0.290 291 V C -0.246 175.892 176.094 0.073 0.000 1.030 291 V CA -0.855 61.495 62.300 0.083 0.000 0.881 291 V CB 1.432 33.307 31.823 0.087 0.000 0.983 291 V HN 0.719 nan 8.190 nan 0.000 0.445 292 L N 5.650 126.884 121.223 0.019 0.000 2.257 292 L HA 0.400 4.739 4.340 -0.001 0.000 0.290 292 L C 1.052 177.879 176.870 -0.072 0.000 1.044 292 L CA -0.360 54.449 54.840 -0.052 0.000 0.810 292 L CB 1.278 43.282 42.059 -0.092 0.000 1.193 292 L HN 0.607 nan 8.230 nan 0.000 0.425 293 L N 2.298 123.458 121.223 -0.105 0.000 2.217 293 L HA -0.052 4.288 4.340 -0.001 0.000 0.211 293 L C 0.702 177.474 176.870 -0.163 0.000 1.107 293 L CA 1.184 55.946 54.840 -0.130 0.000 0.783 293 L CB -0.142 41.820 42.059 -0.162 0.000 0.919 293 L HN 0.712 nan 8.230 nan 0.000 0.442 294 Q N -0.120 119.531 119.800 -0.250 0.000 3.122 294 Q HA 0.180 4.520 4.340 -0.001 0.000 0.282 294 Q C -1.808 173.989 176.000 -0.338 0.000 0.947 294 Q CA -1.391 54.235 55.803 -0.296 0.000 0.812 294 Q CB 1.390 29.837 28.738 -0.485 0.000 1.333 294 Q HN 0.053 nan 8.270 nan 0.000 0.430 295 P HA -0.156 nan 4.420 nan 0.000 0.220 295 P C 0.402 177.536 177.300 -0.277 0.000 1.148 295 P CA 1.004 63.946 63.100 -0.263 0.000 0.803 295 P CB 0.150 31.663 31.700 -0.311 0.000 0.782 296 W N 0.637 121.903 121.300 -0.056 0.000 2.699 296 W HA -0.047 4.612 4.660 -0.001 0.000 0.249 296 W C 2.119 178.654 176.519 0.028 0.000 1.280 296 W CA 0.740 58.099 57.345 0.025 0.000 1.345 296 W CB -0.733 28.793 29.460 0.110 0.000 1.128 296 W HN 0.287 nan 8.180 nan 0.000 0.642 297 H N -2.280 116.850 119.070 0.101 0.000 2.567 297 H HA 0.360 4.915 4.556 -0.001 0.000 0.267 297 H C 0.452 175.802 175.328 0.038 0.000 1.148 297 H CA -0.115 55.958 56.048 0.042 0.000 1.031 297 H CB -0.443 29.309 29.762 -0.016 0.000 1.691 297 H HN 0.186 nan 8.280 nan 0.000 0.588 298 L N 1.162 122.380 121.223 -0.009 0.000 3.218 298 L HA 0.221 4.560 4.340 -0.001 0.000 0.279 298 L C 1.161 178.035 176.870 0.007 0.000 1.287 298 L CA -0.049 54.796 54.840 0.008 0.000 1.024 298 L CB 0.652 42.646 42.059 -0.108 0.000 1.409 298 L HN 0.161 nan 8.230 nan 0.000 0.580 299 E N 0.715 120.924 120.200 0.015 0.000 2.107 299 E HA -0.215 4.134 4.350 -0.001 0.000 0.191 299 E C 1.754 178.370 176.600 0.026 0.000 0.982 299 E CA 0.863 57.257 56.400 -0.010 0.000 0.809 299 E CB 0.272 29.967 29.700 -0.008 0.000 0.756 299 E HN 0.364 nan 8.360 nan 0.000 0.459 300 K N 0.799 121.238 120.400 0.064 0.000 2.103 300 K HA -0.093 4.226 4.320 -0.001 0.000 0.204 300 K C 2.122 178.778 176.600 0.093 0.000 1.052 300 K CA 1.353 57.681 56.287 0.069 0.000 0.945 300 K CB 0.052 32.595 32.500 0.070 0.000 0.722 300 K HN -0.041 nan 8.250 nan 0.000 0.443 301 T N 1.290 115.924 114.554 0.134 0.000 2.708 301 T HA -0.163 4.187 4.350 -0.001 0.000 0.266 301 T C 1.701 176.456 174.700 0.091 0.000 1.037 301 T CA 1.565 63.774 62.100 0.182 0.000 1.146 301 T CB -0.107 68.925 68.868 0.272 0.000 0.865 301 T HN 0.323 nan 8.240 nan 0.000 0.435 302 K N 0.974 121.395 120.400 0.034 0.000 2.032 302 K HA -0.164 4.155 4.320 -0.001 0.000 0.209 302 K C 2.234 178.815 176.600 -0.033 0.000 1.048 302 K CA 1.473 57.750 56.287 -0.016 0.000 0.927 302 K CB -0.055 32.417 32.500 -0.046 0.000 0.712 302 K HN 0.228 nan 8.250 nan 0.000 0.441 303 K N -0.402 119.994 120.400 -0.007 0.000 2.057 303 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 303 K C 2.003 178.579 176.600 -0.040 0.000 1.049 303 K CA 1.623 57.901 56.287 -0.014 0.000 0.931 303 K CB -0.260 32.248 32.500 0.014 0.000 0.714 303 K HN 0.140 nan 8.250 nan 0.000 0.440 304 F N 1.124 120.981 119.950 -0.155 0.000 2.113 304 F HA -0.176 4.351 4.527 -0.001 0.000 0.297 304 F C 1.909 177.459 175.800 -0.417 0.000 1.103 304 F CA 1.035 58.883 58.000 -0.253 0.000 1.248 304 F CB -0.241 38.599 39.000 -0.267 0.000 0.999 304 F HN -0.287 nan 8.300 nan 0.000 0.475 305 V N 0.382 119.976 119.914 -0.533 0.000 2.407 305 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 305 V C 2.167 178.050 176.094 -0.353 0.000 1.055 305 V CA 2.285 64.172 62.300 -0.688 0.000 1.049 305 V CB -0.633 30.998 31.823 -0.321 0.000 0.662 305 V HN 0.367 nan 8.190 nan 0.000 0.455 306 E N 0.036 120.112 120.200 -0.207 0.000 2.076 306 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 306 E C 2.314 178.832 176.600 -0.136 0.000 0.979 306 E CA 1.027 57.366 56.400 -0.102 0.000 0.807 306 E CB -0.359 29.306 29.700 -0.059 0.000 0.761 306 E HN 0.623 nan 8.360 nan 0.000 0.454 307 G N 0.075 108.754 108.800 -0.202 0.000 2.430 307 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 307 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 307 G C 1.516 176.284 174.900 -0.221 0.000 1.146 307 G CA 0.965 45.963 45.100 -0.170 0.000 0.793 307 G HN 0.144 nan 8.290 nan 0.000 0.537 308 T N -0.834 113.460 114.554 -0.434 0.000 3.071 308 T HA 0.039 4.389 4.350 -0.001 0.000 0.239 308 T C 1.787 176.388 174.700 -0.164 0.000 0.997 308 T CA 0.134 61.994 62.100 -0.401 0.000 1.134 308 T CB -0.016 68.362 68.868 -0.816 0.000 0.928 308 T HN 0.338 nan 8.240 nan 0.000 0.453 309 W N 2.072 123.075 121.300 -0.495 0.000 2.770 309 W HA 0.338 4.998 4.660 -0.001 0.000 0.256 309 W C 0.536 176.872 176.519 -0.304 0.000 1.291 309 W CA -0.348 56.728 57.345 -0.449 0.000 1.396 309 W CB -0.340 28.674 29.460 -0.743 0.000 1.114 309 W HN 0.151 nan 8.180 nan 0.000 0.637 310 K N -0.435 119.964 120.400 -0.002 0.000 3.129 310 K HA -0.252 4.068 4.320 -0.001 0.000 0.273 310 K C -0.382 176.344 176.600 0.211 0.000 1.123 310 K CA 0.814 57.141 56.287 0.067 0.000 0.800 310 K CB -2.671 29.868 32.500 0.065 0.000 1.238 310 K HN 0.442 nan 8.250 nan 0.000 0.492 311 H N 0.838 119.968 119.070 0.099 0.000 2.525 311 H HA 0.184 4.739 4.556 -0.001 0.000 0.339 311 H C 0.307 175.661 175.328 0.043 0.000 1.109 311 H CA -0.497 55.608 56.048 0.096 0.000 1.352 311 H CB 0.790 30.655 29.762 0.171 0.000 1.461 311 H HN 0.063 nan 8.280 nan 0.000 0.533 312 E N 3.064 123.346 120.200 0.136 0.000 1.964 312 E HA 0.096 4.446 4.350 -0.001 0.000 0.264 312 E C -0.496 176.129 176.600 0.043 0.000 1.120 312 E CA -0.415 56.022 56.400 0.062 0.000 1.061 312 E CB 0.582 30.300 29.700 0.029 0.000 1.190 312 E HN 0.271 nan 8.360 nan 0.000 0.459 313 V N 5.065 125.010 119.914 0.052 0.000 2.493 313 V HA 0.005 4.125 4.120 -0.001 0.000 0.292 313 V C -1.481 174.609 176.094 -0.007 0.000 1.016 313 V CA -0.964 61.356 62.300 0.034 0.000 1.097 313 V CB -0.217 31.623 31.823 0.028 0.000 0.947 313 V HN 0.487 nan 8.190 nan 0.000 0.479 314 P HA 0.168 nan 4.420 nan 0.000 0.274 314 P C -0.629 176.638 177.300 -0.054 0.000 1.237 314 P CA -0.619 62.460 63.100 -0.036 0.000 0.793 314 P CB 0.676 32.351 31.700 -0.042 0.000 0.977 315 K N 2.420 122.782 120.400 -0.063 0.000 2.206 315 K HA 0.352 4.671 4.320 -0.001 0.000 0.268 315 K C -0.928 175.613 176.600 -0.100 0.000 1.111 315 K CA -0.246 55.988 56.287 -0.089 0.000 0.955 315 K CB -0.637 31.817 32.500 -0.076 0.000 1.406 315 K HN 0.420 nan 8.250 nan 0.000 0.427 316 L N 3.372 124.526 121.223 -0.115 0.000 2.381 316 L HA 0.382 4.721 4.340 -0.001 0.000 0.268 316 L C -0.350 176.393 176.870 -0.211 0.000 0.997 316 L CA -1.151 53.612 54.840 -0.129 0.000 0.818 316 L CB 2.186 44.229 42.059 -0.026 0.000 1.310 316 L HN 0.596 nan 8.230 nan 0.000 0.416 317 N N 1.424 119.890 118.700 -0.391 0.000 2.424 317 N HA 0.338 5.077 4.740 -0.001 0.000 0.257 317 N C -0.069 175.270 175.510 -0.286 0.000 1.250 317 N CA -0.612 52.106 53.050 -0.553 0.000 0.946 317 N CB 1.064 38.586 38.487 -1.608 0.000 1.175 317 N HN 0.481 nan 8.380 nan 0.000 0.477 318 I N 1.997 122.482 120.570 -0.141 0.000 2.919 318 I HA -0.052 4.118 4.170 -0.001 0.000 0.303 318 I C -1.847 174.286 176.117 0.028 0.000 1.221 318 I CA -0.970 60.318 61.300 -0.020 0.000 1.444 318 I CB 0.649 38.703 38.000 0.089 0.000 1.331 318 I HN 0.460 nan 8.210 nan 0.000 0.572 319 P HA 0.198 nan 4.420 nan 0.000 0.238 319 P C -1.024 176.193 177.300 -0.139 0.000 1.794 319 P CA 0.147 63.144 63.100 -0.171 0.000 1.088 319 P CB 0.048 31.366 31.700 -0.638 0.000 1.923 320 M N 1.400 121.021 119.600 0.035 0.000 2.393 320 M HA 0.578 5.058 4.480 -0.001 0.000 0.316 320 M C 0.597 176.793 176.300 -0.173 0.000 1.087 320 M CA 0.048 55.292 55.300 -0.093 0.000 0.937 320 M CB 2.635 35.216 32.600 -0.031 0.000 1.668 320 M HN 0.403 nan 8.290 nan 0.000 0.438 321 G N 1.179 109.720 108.800 -0.432 0.000 2.782 321 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.228 321 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.228 321 G C -0.265 174.522 174.900 -0.188 0.000 1.372 321 G CA -0.124 44.687 45.100 -0.481 0.000 0.862 321 G HN 0.726 nan 8.290 nan 0.000 0.547 322 L N -0.389 120.820 121.223 -0.022 0.000 2.034 322 L HA 0.184 4.524 4.340 -0.001 0.000 0.203 322 L C 2.508 179.455 176.870 0.129 0.000 1.074 322 L CA 2.878 57.790 54.840 0.121 0.000 0.748 322 L CB -0.805 41.332 42.059 0.131 0.000 0.905 322 L HN 0.635 nan 8.230 nan 0.000 0.439 323 D N -1.015 119.418 120.400 0.055 0.000 2.123 323 D HA -0.219 4.421 4.640 -0.001 0.000 0.196 323 D C 1.981 178.451 176.300 0.283 0.000 0.992 323 D CA 1.294 55.368 54.000 0.122 0.000 0.833 323 D CB -0.305 40.537 40.800 0.070 0.000 0.954 323 D HN 0.439 nan 8.370 nan 0.000 0.455 324 W N 1.056 122.373 121.300 0.029 0.000 2.518 324 W HA 0.052 4.712 4.660 -0.001 0.000 0.273 324 W C 2.291 178.805 176.519 -0.007 0.000 1.247 324 W CA 0.436 57.789 57.345 0.014 0.000 1.288 324 W CB -1.203 28.253 29.460 -0.006 0.000 1.107 324 W HN -0.059 nan 8.180 nan 0.000 0.586 325 T N 0.150 114.781 114.554 0.129 0.000 2.770 325 T HA -0.152 4.197 4.350 -0.001 0.000 0.263 325 T C 1.242 175.981 174.700 0.066 0.000 1.039 325 T CA 1.723 63.781 62.100 -0.070 0.000 1.142 325 T CB -0.334 68.259 68.868 -0.458 0.000 0.868 325 T HN -0.082 nan 8.240 nan 0.000 0.435 326 D N 1.314 121.818 120.400 0.174 0.000 2.116 326 D HA -0.102 4.537 4.640 -0.001 0.000 0.193 326 D C 2.207 178.604 176.300 0.162 0.000 0.998 326 D CA 1.201 55.325 54.000 0.208 0.000 0.836 326 D CB -0.268 40.653 40.800 0.201 0.000 0.951 326 D HN 0.518 nan 8.370 nan 0.000 0.449 327 E N -0.537 119.770 120.200 0.178 0.000 2.110 327 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 327 E C 1.932 178.599 176.600 0.113 0.000 0.988 327 E CA 0.381 56.861 56.400 0.134 0.000 0.804 327 E CB -0.209 29.576 29.700 0.141 0.000 0.745 327 E HN 0.260 nan 8.360 nan 0.000 0.458 328 F N 1.443 121.389 119.950 -0.006 0.000 2.069 328 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 328 F C 1.864 177.642 175.800 -0.036 0.000 1.113 328 F CA 1.420 59.396 58.000 -0.040 0.000 1.214 328 F CB -0.149 38.811 39.000 -0.066 0.000 0.978 328 F HN -0.086 nan 8.300 nan 0.000 0.474 329 L N -0.329 120.928 121.223 0.056 0.000 2.046 329 L HA -0.258 4.081 4.340 -0.001 0.000 0.208 329 L C 2.599 179.416 176.870 -0.089 0.000 1.077 329 L CA 1.565 56.373 54.840 -0.053 0.000 0.747 329 L CB -0.664 41.444 42.059 0.080 0.000 0.896 329 L HN 0.257 nan 8.230 nan 0.000 0.432 330 M N -0.513 119.073 119.600 -0.024 0.000 2.159 330 M HA -0.221 4.259 4.480 -0.001 0.000 0.263 330 M C 2.309 178.568 176.300 -0.070 0.000 1.063 330 M CA 1.550 56.835 55.300 -0.025 0.000 1.110 330 M CB -0.246 32.361 32.600 0.011 0.000 1.374 330 M HN 0.033 nan 8.290 nan 0.000 0.411 331 K N 0.495 120.829 120.400 -0.110 0.000 2.062 331 K HA -0.031 4.288 4.320 -0.001 0.000 0.205 331 K C 1.564 178.054 176.600 -0.182 0.000 1.051 331 K CA 1.120 57.329 56.287 -0.130 0.000 0.941 331 K CB -0.514 31.910 32.500 -0.126 0.000 0.719 331 K HN 0.105 nan 8.250 nan 0.000 0.440 332 V N 0.612 120.343 119.914 -0.304 0.000 2.332 332 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 332 V C 2.389 178.386 176.094 -0.162 0.000 1.055 332 V CA 2.145 64.266 62.300 -0.298 0.000 1.038 332 V CB -0.722 30.812 31.823 -0.482 0.000 0.651 332 V HN 0.511 nan 8.190 nan 0.000 0.450 333 S N -0.798 114.826 115.700 -0.127 0.000 2.370 333 S HA -0.284 4.185 4.470 -0.001 0.000 0.226 333 S C 2.110 176.676 174.600 -0.058 0.000 1.033 333 S CA 2.134 60.292 58.200 -0.071 0.000 1.011 333 S CB -0.301 62.872 63.200 -0.046 0.000 0.852 333 S HN 0.737 nan 8.310 nan 0.000 0.457 334 E N 0.138 120.300 120.200 -0.063 0.000 2.051 334 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 334 E C 2.069 178.638 176.600 -0.053 0.000 0.991 334 E CA 1.487 57.858 56.400 -0.049 0.000 0.799 334 E CB -0.252 29.420 29.700 -0.047 0.000 0.748 334 E HN 0.659 nan 8.360 nan 0.000 0.449 335 I N 1.016 121.545 120.570 -0.069 0.000 2.252 335 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 335 I C 2.659 178.742 176.117 -0.056 0.000 1.102 335 I CA 1.373 62.634 61.300 -0.066 0.000 1.385 335 I CB -0.207 37.743 38.000 -0.084 0.000 1.064 335 I HN 0.179 nan 8.210 nan 0.000 0.414 336 S N 0.012 115.679 115.700 -0.055 0.000 2.458 336 S HA 0.129 4.598 4.470 -0.001 0.000 0.223 336 S C 1.828 176.411 174.600 -0.029 0.000 1.019 336 S CA 0.538 58.714 58.200 -0.039 0.000 0.937 336 S CB 0.309 63.489 63.200 -0.034 0.000 0.788 336 S HN 0.575 nan 8.310 nan 0.000 0.511 337 G N 0.636 109.418 108.800 -0.031 0.000 2.184 337 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.264 337 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.264 337 G C -0.104 174.786 174.900 -0.017 0.000 0.975 337 G CA 0.220 45.307 45.100 -0.022 0.000 0.642 337 G HN 0.548 nan 8.290 nan 0.000 0.536 338 Q N 0.911 120.701 119.800 -0.018 0.000 2.243 338 Q HA 0.424 4.764 4.340 -0.001 0.000 0.252 338 Q C -2.165 173.829 176.000 -0.011 0.000 0.909 338 Q CA -1.660 54.137 55.803 -0.010 0.000 0.922 338 Q CB 1.897 30.631 28.738 -0.006 0.000 1.215 338 Q HN 0.341 nan 8.270 nan 0.000 0.427 339 P HA 0.222 nan 4.420 nan 0.000 0.276 339 P C -0.104 177.200 177.300 0.006 0.000 1.244 339 P CA -0.321 62.780 63.100 0.000 0.000 0.801 339 P CB 0.856 32.558 31.700 0.004 0.000 1.006 340 I N 3.662 124.240 120.570 0.012 0.000 2.533 340 I HA 0.102 4.272 4.170 -0.001 0.000 0.284 340 I C -1.333 174.801 176.117 0.028 0.000 1.109 340 I CA -1.497 59.819 61.300 0.027 0.000 1.412 340 I CB 0.212 38.236 38.000 0.041 0.000 1.396 340 I HN 0.258 nan 8.210 nan 0.000 0.543 341 P HA 0.187 nan 4.420 nan 0.000 0.278 341 P C 0.255 177.573 177.300 0.028 0.000 1.266 341 P CA -0.485 62.632 63.100 0.027 0.000 0.807 341 P CB 1.051 32.768 31.700 0.028 0.000 1.094 342 A N 1.141 123.973 122.820 0.020 0.000 1.940 342 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 342 A C 2.263 179.856 177.584 0.015 0.000 1.176 342 A CA 2.379 54.425 52.037 0.013 0.000 0.631 342 A CB -1.743 17.262 19.000 0.008 0.000 0.814 342 A HN 0.689 nan 8.150 nan 0.000 0.446 343 S N 0.148 115.862 115.700 0.022 0.000 2.356 343 S HA -0.123 4.346 4.470 -0.001 0.000 0.223 343 S C 1.863 176.485 174.600 0.037 0.000 1.032 343 S CA 1.553 59.768 58.200 0.025 0.000 1.005 343 S CB -0.754 62.464 63.200 0.029 0.000 0.867 343 S HN 0.448 nan 8.310 nan 0.000 0.449 344 L N 1.191 122.452 121.223 0.062 0.000 2.156 344 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 344 L C 2.924 179.838 176.870 0.073 0.000 1.095 344 L CA 1.387 56.296 54.840 0.115 0.000 0.770 344 L CB -1.099 41.056 42.059 0.159 0.000 0.914 344 L HN 0.384 nan 8.230 nan 0.000 0.439 345 T N -0.552 114.021 114.554 0.031 0.000 2.746 345 T HA -0.246 4.104 4.350 -0.001 0.000 0.267 345 T C 1.914 176.573 174.700 -0.069 0.000 1.039 345 T CA 1.467 63.556 62.100 -0.018 0.000 1.142 345 T CB -0.076 68.790 68.868 -0.004 0.000 0.866 345 T HN 0.236 nan 8.240 nan 0.000 0.444 346 K N 0.983 121.358 120.400 -0.042 0.000 2.057 346 K HA -0.126 4.194 4.320 -0.001 0.000 0.207 346 K C 2.374 178.924 176.600 -0.084 0.000 1.049 346 K CA 1.441 57.697 56.287 -0.052 0.000 0.931 346 K CB -0.076 32.409 32.500 -0.025 0.000 0.714 346 K HN 0.387 nan 8.250 nan 0.000 0.440 347 E N 0.652 120.808 120.200 -0.072 0.000 2.085 347 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 347 E C 2.180 178.602 176.600 -0.297 0.000 0.994 347 E CA 1.162 57.509 56.400 -0.089 0.000 0.801 347 E CB -0.038 29.686 29.700 0.040 0.000 0.743 347 E HN 0.239 nan 8.360 nan 0.000 0.453 348 R N -0.248 119.901 120.500 -0.585 0.000 2.083 348 R HA -0.138 4.201 4.340 -0.001 0.000 0.237 348 R C 2.341 178.383 176.300 -0.430 0.000 1.137 348 R CA 1.752 57.265 56.100 -0.978 0.000 0.951 348 R CB -0.606 29.177 30.300 -0.861 0.000 0.851 348 R HN 0.264 nan 8.270 nan 0.000 0.434 349 G N 0.160 108.809 108.800 -0.251 0.000 2.443 349 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.219 349 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.219 349 G C 1.385 176.223 174.900 -0.103 0.000 1.131 349 G CA 0.308 45.324 45.100 -0.140 0.000 0.775 349 G HN 0.331 nan 8.290 nan 0.000 0.547 350 R N -0.675 119.763 120.500 -0.104 0.000 2.075 350 R HA 0.026 4.366 4.340 -0.001 0.000 0.232 350 R C 2.415 178.685 176.300 -0.051 0.000 1.126 350 R CA 1.048 57.111 56.100 -0.062 0.000 0.963 350 R CB -0.481 29.790 30.300 -0.047 0.000 0.858 350 R HN 0.374 nan 8.270 nan 0.000 0.435 351 L N 0.806 121.981 121.223 -0.080 0.000 2.017 351 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 351 L C 2.023 178.888 176.870 -0.009 0.000 1.073 351 L CA 1.645 56.466 54.840 -0.031 0.000 0.745 351 L CB -0.414 41.623 42.059 -0.037 0.000 0.894 351 L HN -0.093 nan 8.230 nan 0.000 0.432 352 V N 0.095 119.979 119.914 -0.049 0.000 2.332 352 V HA -0.337 3.783 4.120 -0.001 0.000 0.248 352 V C 2.362 178.448 176.094 -0.014 0.000 1.055 352 V CA 2.067 64.350 62.300 -0.028 0.000 1.038 352 V CB -0.894 30.898 31.823 -0.051 0.000 0.651 352 V HN 0.602 nan 8.190 nan 0.000 0.450 353 D N -0.652 119.736 120.400 -0.020 0.000 2.104 353 D HA -0.257 4.383 4.640 -0.001 0.000 0.194 353 D C 2.196 178.505 176.300 0.014 0.000 0.994 353 D CA 1.793 55.790 54.000 -0.005 0.000 0.830 353 D CB -0.144 40.650 40.800 -0.011 0.000 0.959 353 D HN 0.356 nan 8.370 nan 0.000 0.452 354 M N -0.595 119.015 119.600 0.018 0.000 2.108 354 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 354 M C 2.016 178.344 176.300 0.048 0.000 1.066 354 M CA 1.376 56.697 55.300 0.034 0.000 1.107 354 M CB -0.043 32.581 32.600 0.040 0.000 1.356 354 M HN 0.144 nan 8.290 nan 0.000 0.406 355 M N -0.538 119.089 119.600 0.045 0.000 2.080 355 M HA -0.203 4.277 4.480 -0.001 0.000 0.260 355 M C 2.234 178.578 176.300 0.073 0.000 1.068 355 M CA 2.391 57.715 55.300 0.040 0.000 1.109 355 M CB -0.864 31.747 32.600 0.019 0.000 1.342 355 M HN 0.513 nan 8.290 nan 0.000 0.405 356 T N -1.988 112.601 114.554 0.057 0.000 2.788 356 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 356 T C 1.354 176.176 174.700 0.203 0.000 1.044 356 T CA 1.619 63.781 62.100 0.104 0.000 1.139 356 T CB -0.491 68.393 68.868 0.028 0.000 0.867 356 T HN 0.250 nan 8.240 nan 0.000 0.454 357 D N 1.336 121.800 120.400 0.108 0.000 2.178 357 D HA 0.025 4.664 4.640 -0.001 0.000 0.202 357 D C 1.910 178.256 176.300 0.077 0.000 0.974 357 D CA 1.117 55.166 54.000 0.082 0.000 0.841 357 D CB -0.207 40.626 40.800 0.055 0.000 0.953 357 D HN 0.460 nan 8.370 nan 0.000 0.478 358 S N -0.465 115.288 115.700 0.089 0.000 2.539 358 S HA -0.024 4.445 4.470 -0.001 0.000 0.221 358 S C 1.514 176.151 174.600 0.061 0.000 0.987 358 S CA -0.492 57.763 58.200 0.091 0.000 0.929 358 S CB 0.089 63.338 63.200 0.082 0.000 0.832 358 S HN 0.458 nan 8.310 nan 0.000 0.492 359 H N 1.610 120.687 119.070 0.011 0.000 2.421 359 H HA -0.068 4.488 4.556 -0.001 0.000 0.298 359 H C 1.968 177.292 175.328 -0.008 0.000 1.087 359 H CA 1.825 57.867 56.048 -0.010 0.000 1.330 359 H CB -0.986 28.753 29.762 -0.039 0.000 1.388 359 H HN 0.460 nan 8.280 nan 0.000 0.526 360 T N -2.587 111.568 114.554 -0.665 0.000 2.951 360 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 360 T C 1.784 176.267 174.700 -0.362 0.000 1.073 360 T CA 0.836 62.588 62.100 -0.579 0.000 1.134 360 T CB -0.724 67.694 68.868 -0.751 0.000 0.884 360 T HN 0.526 nan 8.240 nan 0.000 0.479 361 W N 0.605 121.853 121.300 -0.086 0.000 2.576 361 W HA 0.438 5.098 4.660 -0.001 0.000 0.270 361 W C 2.027 178.557 176.519 0.018 0.000 1.255 361 W CA -0.570 56.761 57.345 -0.024 0.000 1.314 361 W CB -0.017 29.423 29.460 -0.034 0.000 1.101 361 W HN 0.179 nan 8.180 nan 0.000 0.595 362 L N -0.780 120.574 121.223 0.217 0.000 2.179 362 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 362 L C 1.520 178.475 176.870 0.141 0.000 1.096 362 L CA 0.499 55.431 54.840 0.154 0.000 0.779 362 L CB -0.856 41.239 42.059 0.061 0.000 0.922 362 L HN -0.013 nan 8.230 nan 0.000 0.443 363 H N 0.766 119.864 119.070 0.046 0.000 3.034 363 H HA -0.016 4.539 4.556 -0.001 0.000 0.324 363 H C 1.116 176.497 175.328 0.089 0.000 1.015 363 H CA 1.067 57.146 56.048 0.050 0.000 1.429 363 H CB 0.751 30.546 29.762 0.055 0.000 1.429 363 H HN 0.353 nan 8.280 nan 0.000 0.585 364 G N 4.742 113.330 108.800 -0.353 0.000 2.189 364 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.267 364 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.267 364 G C 0.298 175.177 174.900 -0.034 0.000 0.975 364 G CA 0.263 45.261 45.100 -0.170 0.000 0.644 364 G HN 0.556 nan 8.290 nan 0.000 0.537 365 K N 0.649 121.059 120.400 0.016 0.000 2.401 365 K HA 0.318 4.638 4.320 -0.001 0.000 0.278 365 K C 0.805 177.329 176.600 -0.127 0.000 1.018 365 K CA 0.078 56.342 56.287 -0.039 0.000 0.981 365 K CB 0.612 33.131 32.500 0.031 0.000 0.933 365 K HN 0.433 nan 8.250 nan 0.000 0.477 366 R N 2.021 122.344 120.500 -0.295 0.000 2.393 366 R HA 0.432 4.772 4.340 -0.001 0.000 0.310 366 R C -0.643 175.388 176.300 -0.449 0.000 0.968 366 R CA -0.457 55.505 56.100 -0.229 0.000 0.867 366 R CB 0.761 30.972 30.300 -0.147 0.000 1.124 366 R HN 0.342 nan 8.270 nan 0.000 0.450 367 F N 0.762 120.738 119.950 0.044 0.000 2.540 367 F HA 0.577 5.104 4.527 -0.001 0.000 0.317 367 F C 0.153 176.012 175.800 0.100 0.000 1.104 367 F CA -0.932 57.126 58.000 0.096 0.000 0.913 367 F CB 2.047 41.094 39.000 0.080 0.000 1.170 367 F HN 0.492 nan 8.300 nan 0.000 0.450 368 A N 3.175 126.214 122.820 0.364 0.000 2.303 368 A HA 0.960 5.280 4.320 -0.001 0.000 0.317 368 A C -1.207 176.642 177.584 0.442 0.000 1.149 368 A CA -0.509 51.782 52.037 0.423 0.000 0.822 368 A CB 0.981 20.262 19.000 0.469 0.000 1.131 368 A HN 0.870 nan 8.150 nan 0.000 0.493 369 L N -1.768 119.737 121.223 0.468 0.000 2.582 369 L HA 0.978 5.318 4.340 -0.001 0.000 0.257 369 L C -1.058 176.150 176.870 0.564 0.000 0.974 369 L CA -0.665 54.397 54.840 0.370 0.000 0.851 369 L CB 0.917 43.082 42.059 0.176 0.000 1.424 369 L HN 1.073 nan 8.230 nan 0.000 0.412 370 W N 0.406 121.871 121.300 0.275 0.000 3.025 370 W HA 0.992 5.651 4.660 -0.001 0.000 0.343 370 W C -0.236 176.501 176.519 0.364 0.000 1.246 370 W CA -0.337 57.178 57.345 0.282 0.000 1.178 370 W CB 0.829 30.427 29.460 0.229 0.000 1.463 370 W HN 1.217 nan 8.180 nan 0.000 0.578 371 G N 0.236 109.365 108.800 0.549 0.000 2.339 371 G HA2 0.197 4.156 3.960 -0.001 0.000 0.275 371 G HA3 0.197 4.156 3.960 -0.001 0.000 0.275 371 G C -1.671 173.431 174.900 0.336 0.000 1.323 371 G CA -0.819 44.536 45.100 0.425 0.000 0.927 371 G HN 0.611 nan 8.290 nan 0.000 0.486 372 D N 1.079 121.649 120.400 0.283 0.000 2.344 372 D HA 0.397 5.036 4.640 -0.001 0.000 0.244 372 D C -1.070 175.279 176.300 0.082 0.000 1.134 372 D CA -1.187 52.894 54.000 0.135 0.000 0.930 372 D CB 1.392 42.262 40.800 0.117 0.000 1.175 372 D HN 0.005 nan 8.370 nan 0.000 0.437 373 P HA -0.124 nan 4.420 nan 0.000 0.215 373 P C 0.725 178.109 177.300 0.140 0.000 1.157 373 P CA 1.261 64.065 63.100 -0.493 0.000 0.868 373 P CB 0.369 31.449 31.700 -1.033 0.000 0.788 374 D N -1.236 119.314 120.400 0.250 0.000 2.117 374 D HA -0.150 4.490 4.640 -0.001 0.000 0.198 374 D C 1.891 178.395 176.300 0.341 0.000 0.982 374 D CA 0.898 55.105 54.000 0.345 0.000 0.828 374 D CB -0.647 40.306 40.800 0.254 0.000 0.967 374 D HN 0.107 nan 8.370 nan 0.000 0.464 375 F N 2.276 122.340 119.950 0.190 0.000 2.095 375 F HA -0.233 4.294 4.527 -0.001 0.000 0.298 375 F C 2.189 178.103 175.800 0.191 0.000 1.104 375 F CA 1.114 59.214 58.000 0.166 0.000 1.232 375 F CB -0.415 38.675 39.000 0.150 0.000 0.987 375 F HN -0.259 nan 8.300 nan 0.000 0.475 376 V N 2.212 122.217 119.914 0.151 0.000 2.295 376 V HA -0.364 3.756 4.120 -0.001 0.000 0.246 376 V C 2.607 178.780 176.094 0.132 0.000 1.049 376 V CA 2.280 64.638 62.300 0.096 0.000 1.024 376 V CB -0.797 31.248 31.823 0.371 0.000 0.648 376 V HN 0.626 nan 8.190 nan 0.000 0.447 377 M N 0.208 120.010 119.600 0.337 0.000 2.229 377 M HA 0.048 4.528 4.480 -0.001 0.000 0.264 377 M C 2.036 178.470 176.300 0.223 0.000 1.063 377 M CA 2.305 57.775 55.300 0.284 0.000 1.114 377 M CB -1.066 31.755 32.600 0.369 0.000 1.387 377 M HN 0.203 nan 8.290 nan 0.000 0.420 378 G N 1.481 110.418 108.800 0.228 0.000 2.408 378 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.217 378 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.217 378 G C 1.411 176.229 174.900 -0.137 0.000 1.150 378 G CA 0.781 45.940 45.100 0.099 0.000 0.776 378 G HN 0.414 nan 8.290 nan 0.000 0.542 379 L N 0.861 121.934 121.223 -0.249 0.000 2.046 379 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 379 L C 2.927 179.691 176.870 -0.176 0.000 1.077 379 L CA 1.316 55.992 54.840 -0.274 0.000 0.747 379 L CB -0.576 41.191 42.059 -0.486 0.000 0.896 379 L HN 0.080 nan 8.230 nan 0.000 0.432 380 V N -0.041 119.792 119.914 -0.136 0.000 2.255 380 V HA -0.336 3.783 4.120 -0.001 0.000 0.247 380 V C 2.685 178.681 176.094 -0.164 0.000 1.051 380 V CA 2.161 64.396 62.300 -0.107 0.000 1.018 380 V CB -0.708 31.084 31.823 -0.051 0.000 0.641 380 V HN 0.496 nan 8.190 nan 0.000 0.445 381 K N 0.047 120.291 120.400 -0.259 0.000 2.032 381 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 381 K C 1.941 178.377 176.600 -0.275 0.000 1.048 381 K CA 1.876 57.909 56.287 -0.425 0.000 0.927 381 K CB -0.674 31.171 32.500 -1.091 0.000 0.712 381 K HN 0.331 nan 8.250 nan 0.000 0.441 382 F N 0.934 120.653 119.950 -0.385 0.000 2.186 382 F HA -0.008 4.519 4.527 -0.001 0.000 0.299 382 F C 1.555 177.203 175.800 -0.253 0.000 1.090 382 F CA 1.139 58.960 58.000 -0.297 0.000 1.307 382 F CB -0.322 38.522 39.000 -0.260 0.000 1.019 382 F HN 0.003 nan 8.300 nan 0.000 0.489 383 L N -0.451 120.590 121.223 -0.303 0.000 2.042 383 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 383 L C 2.515 179.197 176.870 -0.314 0.000 1.076 383 L CA 1.311 55.924 54.840 -0.377 0.000 0.749 383 L CB -0.827 41.062 42.059 -0.283 0.000 0.893 383 L HN 0.166 nan 8.230 nan 0.000 0.432 384 L N -0.558 120.531 121.223 -0.223 0.000 2.083 384 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 384 L C 2.477 179.192 176.870 -0.259 0.000 1.083 384 L CA 1.311 56.043 54.840 -0.181 0.000 0.752 384 L CB -0.565 41.439 42.059 -0.092 0.000 0.899 384 L HN 0.295 nan 8.230 nan 0.000 0.433 385 E N 0.180 120.234 120.200 -0.243 0.000 2.153 385 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 385 E C 2.076 178.499 176.600 -0.295 0.000 0.988 385 E CA 0.917 57.191 56.400 -0.210 0.000 0.811 385 E CB -0.083 29.566 29.700 -0.086 0.000 0.746 385 E HN 0.501 nan 8.360 nan 0.000 0.466 386 L N -0.344 120.622 121.223 -0.429 0.000 2.599 386 L HA 0.129 4.468 4.340 -0.001 0.000 0.230 386 L C 1.235 177.888 176.870 -0.362 0.000 1.141 386 L CA 0.285 54.882 54.840 -0.406 0.000 0.877 386 L CB -0.067 41.667 42.059 -0.541 0.000 1.009 386 L HN 0.284 nan 8.230 nan 0.000 0.447 387 G N -0.353 108.096 108.800 -0.586 0.000 2.147 387 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 387 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 387 G C 0.135 174.647 174.900 -0.647 0.000 1.005 387 G CA 0.074 44.559 45.100 -1.024 0.000 0.713 387 G HN 0.355 nan 8.290 nan 0.000 0.515 388 C N -0.103 118.987 119.300 -0.349 0.000 2.349 388 C HA 0.697 5.156 4.460 -0.001 0.000 0.361 388 C C 0.537 175.558 174.990 0.053 0.000 1.189 388 C CA -0.788 58.202 59.018 -0.047 0.000 2.155 388 C CB 1.532 29.313 27.740 0.068 0.000 2.336 388 C HN 0.523 nan 8.230 nan 0.000 0.540 389 E N 2.369 122.655 120.200 0.145 0.000 2.073 389 E HA 0.215 4.565 4.350 -0.001 0.000 0.269 389 E C -2.428 174.255 176.600 0.138 0.000 0.917 389 E CA -1.327 55.144 56.400 0.119 0.000 0.757 389 E CB 1.129 30.866 29.700 0.062 0.000 1.111 389 E HN 0.414 nan 8.360 nan 0.000 0.410 390 P HA -0.011 nan 4.420 nan 0.000 0.241 390 P C 1.018 178.355 177.300 0.062 0.000 1.780 390 P CA -0.053 63.114 63.100 0.112 0.000 1.111 390 P CB 0.384 32.117 31.700 0.055 0.000 1.852 391 V N -0.182 119.723 119.914 -0.015 0.000 2.379 391 V HA -0.035 4.085 4.120 -0.001 0.000 0.245 391 V C 0.600 176.598 176.094 -0.159 0.000 1.044 391 V CA 1.314 63.504 62.300 -0.182 0.000 1.036 391 V CB -1.327 30.305 31.823 -0.318 0.000 0.664 391 V HN 0.351 nan 8.190 nan 0.000 0.453 392 H N 0.698 119.902 119.070 0.222 0.000 2.638 392 H HA 0.640 5.195 4.556 -0.001 0.000 0.317 392 H C -0.860 174.668 175.328 0.335 0.000 1.006 392 H CA -1.037 55.198 56.048 0.312 0.000 1.222 392 H CB 1.240 31.151 29.762 0.248 0.000 1.419 392 H HN 0.358 nan 8.280 nan 0.000 0.489 393 I N 4.538 125.393 120.570 0.476 0.000 2.382 393 I HA 0.198 4.367 4.170 -0.001 0.000 0.285 393 I C -0.406 176.012 176.117 0.501 0.000 1.007 393 I CA -0.427 61.114 61.300 0.401 0.000 1.142 393 I CB 1.764 39.917 38.000 0.255 0.000 1.289 393 I HN 0.233 nan 8.210 nan 0.000 0.453 394 L N 7.170 128.688 121.223 0.492 0.000 2.341 394 L HA 0.643 4.982 4.340 -0.001 0.000 0.278 394 L C -1.131 175.986 176.870 0.411 0.000 1.005 394 L CA -0.154 54.954 54.840 0.446 0.000 0.818 394 L CB 1.644 43.907 42.059 0.340 0.000 1.259 394 L HN 0.752 nan 8.230 nan 0.000 0.418 395 C N 4.034 123.528 119.300 0.323 0.000 2.654 395 C HA 0.295 4.755 4.460 -0.001 0.000 0.315 395 C C 1.288 176.369 174.990 0.152 0.000 1.054 395 C CA -0.493 58.617 59.018 0.153 0.000 1.419 395 C CB -0.162 27.448 27.740 -0.216 0.000 1.889 395 C HN 1.106 nan 8.230 nan 0.000 0.447 396 H N 3.754 122.871 119.070 0.079 0.000 2.352 396 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 396 H C 1.556 176.890 175.328 0.010 0.000 1.097 396 H CA 2.131 58.212 56.048 0.055 0.000 1.311 396 H CB 0.438 30.235 29.762 0.059 0.000 1.377 396 H HN 0.804 nan 8.280 nan 0.000 0.504 397 N N 0.725 119.463 118.700 0.064 0.000 2.313 397 N HA 0.066 4.806 4.740 -0.001 0.000 0.207 397 N C 0.428 175.857 175.510 -0.135 0.000 1.141 397 N CA 0.425 53.432 53.050 -0.072 0.000 0.830 397 N CB -0.180 38.222 38.487 -0.142 0.000 1.008 397 N HN 0.238 nan 8.380 nan 0.000 0.481 398 G N 0.416 109.124 108.800 -0.153 0.000 2.562 398 G HA2 0.369 4.328 3.960 -0.001 0.000 0.275 398 G HA3 0.369 4.328 3.960 -0.001 0.000 0.275 398 G C -0.106 174.796 174.900 0.003 0.000 1.196 398 G CA -0.537 44.400 45.100 -0.271 0.000 0.908 398 G HN 0.565 nan 8.290 nan 0.000 0.524 399 N N -2.007 116.758 118.700 0.109 0.000 2.701 399 N HA 0.301 5.041 4.740 -0.001 0.000 0.290 399 N C 0.593 176.232 175.510 0.215 0.000 1.338 399 N CA -0.996 52.154 53.050 0.166 0.000 0.799 399 N CB 1.662 40.250 38.487 0.168 0.000 1.491 399 N HN 0.333 nan 8.380 nan 0.000 0.540 400 K N -0.314 120.185 120.400 0.165 0.000 2.097 400 K HA 0.055 4.375 4.320 -0.001 0.000 0.205 400 K C 1.601 178.274 176.600 0.122 0.000 1.050 400 K CA 1.052 57.416 56.287 0.129 0.000 0.938 400 K CB -0.069 32.492 32.500 0.101 0.000 0.718 400 K HN 0.419 nan 8.250 nan 0.000 0.442 401 R N -0.458 120.150 120.500 0.181 0.000 2.075 401 R HA -0.150 4.190 4.340 -0.001 0.000 0.232 401 R C 2.023 178.368 176.300 0.074 0.000 1.126 401 R CA 1.502 57.733 56.100 0.218 0.000 0.963 401 R CB -0.320 30.221 30.300 0.402 0.000 0.858 401 R HN 0.328 nan 8.270 nan 0.000 0.435 402 W N 2.504 123.593 121.300 -0.352 0.000 2.335 402 W HA -0.229 4.431 4.660 -0.001 0.000 0.311 402 W C 2.139 178.390 176.519 -0.448 0.000 1.213 402 W CA 1.610 58.380 57.345 -0.959 0.000 1.274 402 W CB -0.111 28.824 29.460 -0.875 0.000 1.148 402 W HN -0.081 nan 8.180 nan 0.000 0.498 403 K N 0.696 120.994 120.400 -0.171 0.000 2.063 403 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 403 K C 2.117 178.524 176.600 -0.321 0.000 1.048 403 K CA 1.855 57.956 56.287 -0.310 0.000 0.928 403 K CB -0.360 32.139 32.500 -0.002 0.000 0.713 403 K HN 0.079 nan 8.250 nan 0.000 0.442 404 K N 0.019 120.315 120.400 -0.174 0.000 2.063 404 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 404 K C 2.172 178.675 176.600 -0.161 0.000 1.048 404 K CA 1.276 57.491 56.287 -0.120 0.000 0.928 404 K CB -0.175 32.309 32.500 -0.027 0.000 0.713 404 K HN 0.266 nan 8.250 nan 0.000 0.442 405 A N 0.934 123.619 122.820 -0.225 0.000 1.902 405 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 405 A C 2.332 179.746 177.584 -0.282 0.000 1.181 405 A CA 1.393 53.315 52.037 -0.193 0.000 0.623 405 A CB -0.498 18.424 19.000 -0.131 0.000 0.818 405 A HN 0.080 nan 8.150 nan 0.000 0.443 406 V N 0.420 120.009 119.914 -0.542 0.000 2.453 406 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 406 V C 2.034 177.966 176.094 -0.271 0.000 1.048 406 V CA 2.024 64.034 62.300 -0.483 0.000 1.049 406 V CB -0.755 30.568 31.823 -0.834 0.000 0.672 406 V HN 0.460 nan 8.190 nan 0.000 0.457 407 D N 0.660 120.909 120.400 -0.251 0.000 2.178 407 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 407 D C 2.196 178.439 176.300 -0.095 0.000 0.980 407 D CA 1.589 55.498 54.000 -0.151 0.000 0.842 407 D CB -0.136 40.585 40.800 -0.131 0.000 0.948 407 D HN 0.454 nan 8.370 nan 0.000 0.472 408 A N 0.450 123.221 122.820 -0.082 0.000 1.929 408 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 408 A C 2.335 179.914 177.584 -0.008 0.000 1.176 408 A CA 0.568 52.586 52.037 -0.032 0.000 0.628 408 A CB -0.532 18.462 19.000 -0.010 0.000 0.816 408 A HN 0.170 nan 8.150 nan 0.000 0.444 409 I N -0.276 120.289 120.570 -0.008 0.000 2.226 409 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 409 I C 2.317 178.429 176.117 -0.008 0.000 1.100 409 I CA 1.128 62.444 61.300 0.027 0.000 1.374 409 I CB -0.270 37.763 38.000 0.056 0.000 1.057 409 I HN 0.289 nan 8.210 nan 0.000 0.413 410 L N 0.301 121.502 121.223 -0.038 0.000 2.093 410 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 410 L C 2.745 179.602 176.870 -0.022 0.000 1.085 410 L CA 1.207 56.027 54.840 -0.034 0.000 0.755 410 L CB -0.688 41.339 42.059 -0.054 0.000 0.904 410 L HN 0.229 nan 8.230 nan 0.000 0.435 411 A N -0.091 122.714 122.820 -0.025 0.000 2.067 411 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 411 A C 2.345 179.925 177.584 -0.006 0.000 1.158 411 A CA 1.396 53.422 52.037 -0.019 0.000 0.661 411 A CB -0.482 18.506 19.000 -0.021 0.000 0.801 411 A HN 0.387 nan 8.150 nan 0.000 0.452 412 A N -1.297 121.527 122.820 0.005 0.000 2.208 412 A HA 0.381 4.701 4.320 -0.001 0.000 0.209 412 A C 1.105 178.702 177.584 0.021 0.000 1.161 412 A CA 0.930 52.977 52.037 0.018 0.000 0.782 412 A CB -0.225 18.795 19.000 0.033 0.000 0.816 412 A HN 0.485 nan 8.150 nan 0.000 0.477 413 S N -0.964 114.749 115.700 0.021 0.000 2.538 413 S HA 0.531 5.001 4.470 -0.001 0.000 0.288 413 S C -2.269 172.336 174.600 0.009 0.000 1.108 413 S CA -1.373 56.855 58.200 0.048 0.000 0.971 413 S CB 1.640 64.896 63.200 0.094 0.000 1.041 413 S HN 0.014 nan 8.310 nan 0.000 0.483 414 P HA -0.069 nan 4.420 nan 0.000 0.221 414 P C 0.499 177.642 177.300 -0.261 0.000 1.145 414 P CA 1.140 64.137 63.100 -0.173 0.000 0.795 414 P CB -0.163 31.378 31.700 -0.265 0.000 0.775 415 Y N -0.294 119.981 120.300 -0.042 0.000 2.583 415 Y HA 0.147 4.697 4.550 -0.001 0.000 0.293 415 Y C 2.526 178.394 175.900 -0.053 0.000 1.157 415 Y CA 0.934 58.999 58.100 -0.058 0.000 1.315 415 Y CB -0.860 37.558 38.460 -0.070 0.000 1.021 415 Y HN -0.006 nan 8.280 nan 0.000 0.536 416 G N -0.675 108.147 108.800 0.036 0.000 3.042 416 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.212 416 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.212 416 G C 1.461 176.346 174.900 -0.026 0.000 1.166 416 G CA -0.135 44.967 45.100 0.004 0.000 0.767 416 G HN 0.284 nan 8.290 nan 0.000 0.546 417 K N 0.588 120.960 120.400 -0.047 0.000 2.211 417 K HA 0.002 4.322 4.320 -0.001 0.000 0.203 417 K C 1.073 177.647 176.600 -0.043 0.000 1.050 417 K CA 0.680 56.935 56.287 -0.053 0.000 0.945 417 K CB 0.122 32.578 32.500 -0.072 0.000 0.732 417 K HN 0.142 nan 8.250 nan 0.000 0.451 418 N N 0.201 118.878 118.700 -0.039 0.000 2.238 418 N HA 0.101 4.841 4.740 -0.001 0.000 0.222 418 N C -0.668 174.825 175.510 -0.029 0.000 1.133 418 N CA 0.038 53.068 53.050 -0.033 0.000 0.854 418 N CB 1.079 39.544 38.487 -0.038 0.000 1.041 418 N HN 0.042 nan 8.380 nan 0.000 0.510 419 A N 0.277 123.081 122.820 -0.026 0.000 2.303 419 A HA 0.721 5.040 4.320 -0.001 0.000 0.317 419 A C 0.024 177.593 177.584 -0.025 0.000 1.149 419 A CA -0.096 51.932 52.037 -0.015 0.000 0.822 419 A CB 0.876 19.869 19.000 -0.012 0.000 1.131 419 A HN 0.028 nan 8.150 nan 0.000 0.493 420 T N 1.030 115.581 114.554 -0.004 0.000 2.886 420 T HA 0.503 4.853 4.350 -0.001 0.000 0.292 420 T C -0.727 173.849 174.700 -0.205 0.000 1.012 420 T CA -0.375 61.635 62.100 -0.152 0.000 0.982 420 T CB 1.484 70.226 68.868 -0.209 0.000 1.018 420 T HN 0.461 nan 8.240 nan 0.000 0.451 421 V N 3.504 123.240 119.914 -0.296 0.000 2.439 421 V HA 0.452 4.572 4.120 -0.001 0.000 0.282 421 V C -1.170 174.737 176.094 -0.311 0.000 1.039 421 V CA -0.700 61.501 62.300 -0.166 0.000 0.913 421 V CB 0.470 32.211 31.823 -0.137 0.000 0.983 421 V HN 0.812 nan 8.190 nan 0.000 0.460 422 Y N 5.130 125.547 120.300 0.195 0.000 2.341 422 Y HA 0.690 5.240 4.550 -0.001 0.000 0.338 422 Y C 0.279 176.300 175.900 0.201 0.000 0.965 422 Y CA -0.808 57.398 58.100 0.176 0.000 1.108 422 Y CB 1.650 40.212 38.460 0.169 0.000 1.180 422 Y HN 0.618 nan 8.280 nan 0.000 0.458 423 I N -1.006 119.735 120.570 0.284 0.000 2.603 423 I HA 0.877 5.046 4.170 -0.001 0.000 0.300 423 I C 0.856 177.071 176.117 0.164 0.000 1.017 423 I CA -0.841 60.596 61.300 0.229 0.000 1.098 423 I CB 2.041 40.176 38.000 0.225 0.000 1.279 423 I HN 0.750 nan 8.210 nan 0.000 0.437 424 G N 3.052 111.955 108.800 0.172 0.000 2.184 424 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.264 424 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.264 424 G C 0.143 175.047 174.900 0.007 0.000 0.975 424 G CA 0.050 45.254 45.100 0.174 0.000 0.642 424 G HN 0.637 nan 8.290 nan 0.000 0.536 425 K N 1.101 121.433 120.400 -0.114 0.000 2.118 425 K HA 0.589 4.908 4.320 -0.001 0.000 0.254 425 K C 0.155 176.521 176.600 -0.390 0.000 0.961 425 K CA -0.113 56.010 56.287 -0.274 0.000 0.876 425 K CB 1.690 33.965 32.500 -0.376 0.000 1.077 425 K HN 0.482 nan 8.250 nan 0.000 0.440 426 D N -0.720 119.573 120.400 -0.179 0.000 2.592 426 D HA 0.215 4.855 4.640 -0.001 0.000 0.259 426 D C 1.016 177.183 176.300 -0.222 0.000 1.144 426 D CA -0.723 53.058 54.000 -0.364 0.000 1.080 426 D CB 0.380 40.971 40.800 -0.348 0.000 1.225 426 D HN 0.252 nan 8.370 nan 0.000 0.619 427 L N -0.808 120.278 121.223 -0.229 0.000 2.376 427 L HA 0.047 4.387 4.340 -0.001 0.000 0.219 427 L C 1.774 178.571 176.870 -0.121 0.000 1.133 427 L CA 0.292 54.972 54.840 -0.266 0.000 0.816 427 L CB -0.208 41.663 42.059 -0.313 0.000 0.933 427 L HN 0.473 nan 8.230 nan 0.000 0.449 428 W N 0.745 121.875 121.300 -0.283 0.000 2.453 428 W HA -0.139 4.521 4.660 -0.001 0.000 0.289 428 W C 2.279 178.626 176.519 -0.288 0.000 1.215 428 W CA 1.303 58.491 57.345 -0.261 0.000 1.297 428 W CB -0.106 29.178 29.460 -0.292 0.000 1.113 428 W HN 0.292 nan 8.180 nan 0.000 0.551 429 H N 0.249 119.162 119.070 -0.262 0.000 2.319 429 H HA -0.251 4.305 4.556 -0.001 0.000 0.299 429 H C 2.290 177.428 175.328 -0.317 0.000 1.092 429 H CA 2.371 58.131 56.048 -0.480 0.000 1.302 429 H CB -0.658 28.636 29.762 -0.780 0.000 1.373 429 H HN 0.095 nan 8.280 nan 0.000 0.497 430 L N 0.575 121.689 121.223 -0.181 0.000 2.046 430 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 430 L C 2.680 179.412 176.870 -0.230 0.000 1.077 430 L CA 1.216 55.930 54.840 -0.210 0.000 0.747 430 L CB -0.215 41.686 42.059 -0.263 0.000 0.896 430 L HN 0.173 nan 8.230 nan 0.000 0.432 431 R N -0.903 119.428 120.500 -0.282 0.000 2.096 431 R HA -0.210 4.130 4.340 -0.001 0.000 0.240 431 R C 2.281 178.455 176.300 -0.211 0.000 1.139 431 R CA 2.103 58.016 56.100 -0.312 0.000 0.952 431 R CB -0.366 29.640 30.300 -0.490 0.000 0.854 431 R HN 0.341 nan 8.270 nan 0.000 0.436 432 S N 0.848 116.419 115.700 -0.215 0.000 2.359 432 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 432 S C 1.894 176.459 174.600 -0.057 0.000 1.035 432 S CA 1.391 59.553 58.200 -0.063 0.000 1.018 432 S CB -0.197 63.004 63.200 0.003 0.000 0.876 432 S HN 0.306 nan 8.310 nan 0.000 0.448 433 L N 1.432 122.556 121.223 -0.165 0.000 2.083 433 L HA -0.085 4.255 4.340 -0.001 0.000 0.209 433 L C 2.372 179.059 176.870 -0.305 0.000 1.083 433 L CA 1.073 55.693 54.840 -0.366 0.000 0.752 433 L CB -0.754 40.863 42.059 -0.737 0.000 0.899 433 L HN 0.346 nan 8.230 nan 0.000 0.433 434 V N -5.139 114.643 119.914 -0.220 0.000 3.217 434 V HA -0.095 4.024 4.120 -0.001 0.000 0.264 434 V C 2.053 178.036 176.094 -0.185 0.000 1.135 434 V CA 0.892 63.109 62.300 -0.139 0.000 1.142 434 V CB -0.685 31.043 31.823 -0.157 0.000 0.754 434 V HN 0.135 nan 8.190 nan 0.000 0.484 435 F N 2.557 122.447 119.950 -0.100 0.000 2.179 435 F HA 0.047 4.573 4.527 -0.001 0.000 0.292 435 F C 2.888 178.636 175.800 -0.088 0.000 1.089 435 F CA 1.927 59.858 58.000 -0.115 0.000 1.295 435 F CB -0.933 37.938 39.000 -0.215 0.000 1.041 435 F HN 0.327 nan 8.300 nan 0.000 0.487 436 T N -3.335 111.278 114.554 0.098 0.000 2.942 436 T HA -0.076 4.274 4.350 -0.001 0.000 0.265 436 T C 0.627 175.365 174.700 0.063 0.000 1.062 436 T CA 1.227 63.352 62.100 0.040 0.000 1.139 436 T CB -0.115 68.745 68.868 -0.014 0.000 0.883 436 T HN 0.039 nan 8.240 nan 0.000 0.468 437 D N 0.836 121.295 120.400 0.098 0.000 2.552 437 D HA 0.221 4.860 4.640 -0.001 0.000 0.285 437 D C -0.739 175.699 176.300 0.230 0.000 1.206 437 D CA -0.527 53.576 54.000 0.171 0.000 0.826 437 D CB 0.425 41.378 40.800 0.256 0.000 1.179 437 D HN 0.331 nan 8.370 nan 0.000 0.508 438 K N 2.490 122.969 120.400 0.132 0.000 2.447 438 K HA 0.184 4.504 4.320 -0.001 0.000 0.281 438 K C -2.189 174.442 176.600 0.051 0.000 1.031 438 K CA -0.818 55.525 56.287 0.093 0.000 1.019 438 K CB 0.715 33.265 32.500 0.084 0.000 0.918 438 K HN 0.202 nan 8.250 nan 0.000 0.476 439 P HA 0.153 nan 4.420 nan 0.000 0.284 439 P C -0.484 176.719 177.300 -0.161 0.000 1.292 439 P CA -0.379 62.687 63.100 -0.057 0.000 0.800 439 P CB 0.848 32.552 31.700 0.006 0.000 1.188 440 D N -0.958 119.281 120.400 -0.267 0.000 2.162 440 D HA 0.066 4.706 4.640 -0.001 0.000 0.203 440 D C 0.301 176.127 176.300 -0.791 0.000 0.967 440 D CA 1.622 55.347 54.000 -0.458 0.000 0.840 440 D CB -0.015 40.583 40.800 -0.338 0.000 0.972 440 D HN 0.305 nan 8.370 nan 0.000 0.482 441 F N -0.936 118.882 119.950 -0.220 0.000 2.662 441 F HA 0.418 4.945 4.527 -0.001 0.000 0.312 441 F C -0.211 175.662 175.800 0.121 0.000 1.113 441 F CA -0.980 57.004 58.000 -0.027 0.000 0.951 441 F CB 1.566 40.602 39.000 0.060 0.000 1.344 441 F HN -0.427 nan 8.300 nan 0.000 0.462 442 M N 2.436 122.267 119.600 0.385 0.000 2.404 442 M HA 0.580 5.060 4.480 -0.001 0.000 0.338 442 M C -1.260 175.207 176.300 0.278 0.000 1.150 442 M CA -0.459 55.062 55.300 0.368 0.000 1.016 442 M CB 2.045 34.880 32.600 0.391 0.000 1.672 442 M HN 0.343 nan 8.290 nan 0.000 0.448 443 I N 2.095 122.748 120.570 0.139 0.000 2.382 443 I HA 0.750 4.919 4.170 -0.001 0.000 0.285 443 I C 0.220 176.073 176.117 -0.439 0.000 1.007 443 I CA -0.272 60.995 61.300 -0.056 0.000 1.142 443 I CB 1.436 39.415 38.000 -0.035 0.000 1.289 443 I HN 0.853 nan 8.210 nan 0.000 0.453 444 G N 4.466 112.899 108.800 -0.610 0.000 2.490 444 G HA2 0.251 4.211 3.960 -0.001 0.000 0.308 444 G HA3 0.251 4.211 3.960 -0.001 0.000 0.308 444 G C -1.553 173.025 174.900 -0.537 0.000 1.286 444 G CA -0.707 43.636 45.100 -1.262 0.000 0.825 444 G HN 0.556 nan 8.290 nan 0.000 0.479 445 N N -0.994 117.501 118.700 -0.342 0.000 2.418 445 N HA 0.334 5.074 4.740 -0.001 0.000 0.283 445 N C 1.159 176.650 175.510 -0.033 0.000 1.267 445 N CA 0.296 53.272 53.050 -0.124 0.000 0.975 445 N CB 0.769 39.184 38.487 -0.119 0.000 1.167 445 N HN 0.231 nan 8.380 nan 0.000 0.581 446 S N -1.396 114.142 115.700 -0.269 0.000 2.442 446 S HA -0.073 4.396 4.470 -0.001 0.000 0.236 446 S C 1.069 175.573 174.600 -0.161 0.000 1.007 446 S CA 0.591 58.639 58.200 -0.253 0.000 0.965 446 S CB -0.719 62.258 63.200 -0.372 0.000 0.773 446 S HN 0.505 nan 8.310 nan 0.000 0.504 447 Y N 1.588 121.959 120.300 0.119 0.000 2.483 447 Y HA 0.015 4.565 4.550 -0.001 0.000 0.291 447 Y C 2.469 178.504 175.900 0.225 0.000 1.143 447 Y CA 0.184 58.414 58.100 0.217 0.000 1.289 447 Y CB -1.099 37.500 38.460 0.233 0.000 0.983 447 Y HN 0.320 nan 8.280 nan 0.000 0.556 448 G N 0.671 109.753 108.800 0.469 0.000 2.509 448 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 448 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 448 G C 1.728 176.734 174.900 0.178 0.000 1.124 448 G CA 0.864 46.237 45.100 0.454 0.000 0.776 448 G HN 0.540 nan 8.290 nan 0.000 0.547 449 K N -0.357 120.013 120.400 -0.050 0.000 2.147 449 K HA -0.053 4.266 4.320 -0.001 0.000 0.205 449 K C 1.842 178.343 176.600 -0.166 0.000 1.049 449 K CA 1.159 57.325 56.287 -0.200 0.000 0.936 449 K CB -0.483 31.784 32.500 -0.390 0.000 0.722 449 K HN 0.241 nan 8.250 nan 0.000 0.446 450 F N 1.811 121.848 119.950 0.145 0.000 2.325 450 F HA 0.071 4.598 4.527 -0.001 0.000 0.299 450 F C 2.102 177.972 175.800 0.116 0.000 1.090 450 F CA 0.340 58.420 58.000 0.132 0.000 1.392 450 F CB -0.359 38.734 39.000 0.156 0.000 1.053 450 F HN -0.079 nan 8.300 nan 0.000 0.521 451 I N -0.371 120.333 120.570 0.223 0.000 2.202 451 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 451 I C 2.580 178.731 176.117 0.057 0.000 1.091 451 I CA 1.334 62.692 61.300 0.095 0.000 1.368 451 I CB -0.587 37.429 38.000 0.027 0.000 1.058 451 I HN 0.165 nan 8.210 nan 0.000 0.410 452 Q N 1.393 121.237 119.800 0.073 0.000 2.084 452 Q HA -0.259 4.081 4.340 -0.001 0.000 0.202 452 Q C 2.448 178.493 176.000 0.076 0.000 0.978 452 Q CA 1.541 57.373 55.803 0.049 0.000 0.844 452 Q CB -0.095 28.673 28.738 0.050 0.000 0.898 452 Q HN 0.321 nan 8.270 nan 0.000 0.426 453 R N 0.167 120.732 120.500 0.109 0.000 2.083 453 R HA -0.186 4.153 4.340 -0.001 0.000 0.237 453 R C 1.385 177.798 176.300 0.187 0.000 1.137 453 R CA 2.020 58.201 56.100 0.136 0.000 0.951 453 R CB -0.245 30.159 30.300 0.174 0.000 0.851 453 R HN 0.372 nan 8.270 nan 0.000 0.434 454 D N -0.162 120.381 120.400 0.238 0.000 2.104 454 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 454 D C 1.959 178.563 176.300 0.506 0.000 0.994 454 D CA 2.249 56.490 54.000 0.402 0.000 0.830 454 D CB -0.590 40.466 40.800 0.427 0.000 0.959 454 D HN 0.487 nan 8.370 nan 0.000 0.452 455 T N -0.369 114.304 114.554 0.198 0.000 2.746 455 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 455 T C 2.031 176.897 174.700 0.277 0.000 1.039 455 T CA 0.807 62.983 62.100 0.125 0.000 1.142 455 T CB -0.572 68.183 68.868 -0.189 0.000 0.866 455 T HN 0.065 nan 8.240 nan 0.000 0.444 456 L N 1.128 122.470 121.223 0.198 0.000 2.131 456 L HA 0.000 4.340 4.340 -0.001 0.000 0.210 456 L C 2.411 179.407 176.870 0.211 0.000 1.092 456 L CA 1.925 56.870 54.840 0.175 0.000 0.759 456 L CB -1.198 40.929 42.059 0.115 0.000 0.903 456 L HN 0.416 nan 8.230 nan 0.000 0.435 457 H N -0.013 119.121 119.070 0.108 0.000 2.352 457 H HA -0.211 4.345 4.556 -0.001 0.000 0.299 457 H C 2.331 177.686 175.328 0.046 0.000 1.097 457 H CA 2.306 58.327 56.048 -0.044 0.000 1.311 457 H CB -0.006 29.568 29.762 -0.313 0.000 1.377 457 H HN 0.382 nan 8.280 nan 0.000 0.504 458 K N -0.504 120.054 120.400 0.263 0.000 2.063 458 K HA -0.023 4.297 4.320 -0.001 0.000 0.208 458 K C 0.248 177.013 176.600 0.275 0.000 1.048 458 K CA 1.229 57.680 56.287 0.274 0.000 0.928 458 K CB -0.098 32.594 32.500 0.320 0.000 0.713 458 K HN 0.487 nan 8.250 nan 0.000 0.442 459 G N -0.701 108.334 108.800 0.392 0.000 2.340 459 G HA2 0.013 3.973 3.960 -0.001 0.000 0.300 459 G HA3 0.013 3.973 3.960 -0.001 0.000 0.300 459 G C -0.753 174.271 174.900 0.206 0.000 1.488 459 G CA -0.256 45.031 45.100 0.311 0.000 0.878 459 G HN -0.024 nan 8.290 nan 0.000 0.618 460 K N 0.478 120.917 120.400 0.066 0.000 2.103 460 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 460 K C 2.252 178.797 176.600 -0.093 0.000 1.048 460 K CA 2.693 58.979 56.287 -0.002 0.000 0.930 460 K CB -0.149 32.338 32.500 -0.021 0.000 0.716 460 K HN 0.709 nan 8.250 nan 0.000 0.444 461 E N -1.088 118.970 120.200 -0.237 0.000 2.338 461 E HA -0.159 4.190 4.350 -0.001 0.000 0.197 461 E C 0.843 177.111 176.600 -0.553 0.000 1.007 461 E CA 0.824 56.962 56.400 -0.437 0.000 0.849 461 E CB -0.250 29.085 29.700 -0.608 0.000 0.774 461 E HN 0.345 nan 8.360 nan 0.000 0.506 462 F N 1.489 121.446 119.950 0.012 0.000 2.721 462 F HA 0.249 4.775 4.527 -0.001 0.000 0.301 462 F C 0.938 176.718 175.800 -0.033 0.000 1.096 462 F CA -0.499 57.512 58.000 0.019 0.000 1.308 462 F CB 0.151 39.217 39.000 0.109 0.000 1.086 462 F HN -0.050 nan 8.300 nan 0.000 0.587 463 E N 1.693 121.936 120.200 0.071 0.000 2.415 463 E HA 0.158 4.508 4.350 -0.001 0.000 0.263 463 E C -0.821 175.731 176.600 -0.080 0.000 0.995 463 E CA -0.044 56.360 56.400 0.007 0.000 0.915 463 E CB 0.781 30.481 29.700 0.001 0.000 0.951 463 E HN -0.089 nan 8.360 nan 0.000 0.449 464 V N 7.842 127.703 119.914 -0.089 0.000 2.293 464 V HA 0.267 4.386 4.120 -0.001 0.000 0.275 464 V C -2.207 173.850 176.094 -0.061 0.000 1.021 464 V CA -1.866 60.357 62.300 -0.129 0.000 0.815 464 V CB 1.013 32.776 31.823 -0.101 0.000 1.025 464 V HN 0.714 nan 8.190 nan 0.000 0.448 465 P HA 0.200 nan 4.420 nan 0.000 0.271 465 P C -0.517 176.914 177.300 0.219 0.000 1.218 465 P CA -0.416 62.731 63.100 0.079 0.000 0.780 465 P CB 0.782 32.569 31.700 0.145 0.000 0.901 466 L N 4.134 125.465 121.223 0.179 0.000 2.326 466 L HA 0.371 4.710 4.340 -0.001 0.000 0.278 466 L C -0.652 176.312 176.870 0.156 0.000 1.092 466 L CA 0.038 54.983 54.840 0.175 0.000 0.810 466 L CB -0.069 42.062 42.059 0.121 0.000 1.153 466 L HN 0.238 nan 8.230 nan 0.000 0.439 467 I N 5.485 126.134 120.570 0.132 0.000 2.355 467 I HA 0.388 4.558 4.170 -0.001 0.000 0.288 467 I C -0.058 176.060 176.117 0.003 0.000 0.999 467 I CA -0.626 60.707 61.300 0.055 0.000 1.163 467 I CB 1.079 39.097 38.000 0.030 0.000 1.316 467 I HN 0.523 nan 8.210 nan 0.000 0.454 468 R N 7.312 127.809 120.500 -0.004 0.000 2.220 468 R HA 0.605 4.945 4.340 -0.001 0.000 0.340 468 R C -0.930 175.378 176.300 0.015 0.000 1.076 468 R CA 0.056 56.142 56.100 -0.024 0.000 0.920 468 R CB 0.416 30.702 30.300 -0.023 0.000 1.062 468 R HN 0.551 nan 8.270 nan 0.000 0.469 469 I N 2.143 122.720 120.570 0.011 0.000 2.586 469 I HA 0.543 4.712 4.170 -0.001 0.000 0.288 469 I C 0.409 176.545 176.117 0.032 0.000 1.147 469 I CA -0.603 60.781 61.300 0.140 0.000 1.047 469 I CB 2.187 40.307 38.000 0.201 0.000 1.244 469 I HN 0.833 nan 8.210 nan 0.000 0.429 470 G N 5.042 113.827 108.800 -0.024 0.000 2.250 470 G HA2 0.125 4.085 3.960 -0.001 0.000 0.252 470 G HA3 0.125 4.085 3.960 -0.001 0.000 0.252 470 G C -2.033 172.721 174.900 -0.242 0.000 1.325 470 G CA -0.660 44.213 45.100 -0.378 0.000 1.091 470 G HN 0.570 nan 8.290 nan 0.000 0.476 471 F N 2.222 121.936 119.950 -0.392 0.000 2.596 471 F HA 0.737 5.263 4.527 -0.001 0.000 0.311 471 F C -2.383 173.191 175.800 -0.376 0.000 1.116 471 F CA -1.730 55.986 58.000 -0.474 0.000 0.957 471 F CB 2.633 41.364 39.000 -0.449 0.000 1.250 471 F HN 0.498 nan 8.300 nan 0.000 0.444 472 P HA 0.458 nan 4.420 nan 0.000 0.284 472 P C -1.017 175.648 177.300 -1.059 0.000 1.258 472 P CA -0.273 61.737 63.100 -1.817 0.000 0.824 472 P CB 2.229 32.300 31.700 -2.717 0.000 1.038 473 I N 2.397 122.649 120.570 -0.530 0.000 2.390 473 I HA 0.215 4.385 4.170 -0.001 0.000 0.283 473 I C 0.191 176.150 176.117 -0.263 0.000 1.016 473 I CA -0.406 60.668 61.300 -0.376 0.000 1.151 473 I CB 0.737 38.635 38.000 -0.171 0.000 1.293 473 I HN 0.179 nan 8.210 nan 0.000 0.458 474 F N 2.573 122.385 119.950 -0.231 0.000 2.724 474 F HA 0.077 4.603 4.527 -0.001 0.000 0.306 474 F C 1.640 177.364 175.800 -0.127 0.000 1.100 474 F CA -0.315 57.562 58.000 -0.205 0.000 1.255 474 F CB -0.003 38.860 39.000 -0.228 0.000 1.072 474 F HN 0.485 nan 8.300 nan 0.000 0.589 475 D N -0.933 119.507 120.400 0.067 0.000 2.440 475 D HA 0.120 4.760 4.640 -0.001 0.000 0.216 475 D C 0.524 176.856 176.300 0.054 0.000 1.150 475 D CA 0.206 54.236 54.000 0.049 0.000 0.832 475 D CB 0.393 41.191 40.800 -0.004 0.000 0.992 475 D HN -0.050 nan 8.370 nan 0.000 0.502 476 R N -0.108 120.431 120.500 0.065 0.000 2.837 476 R HA 0.412 4.752 4.340 -0.001 0.000 0.271 476 R C -0.653 175.732 176.300 0.141 0.000 0.993 476 R CA -0.574 55.579 56.100 0.088 0.000 0.931 476 R CB 1.227 31.545 30.300 0.029 0.000 1.206 476 R HN 0.217 nan 8.270 nan 0.000 0.474 477 H N 1.716 120.714 119.070 -0.120 0.000 2.457 477 H HA 0.252 4.808 4.556 -0.001 0.000 0.335 477 H C -0.128 175.061 175.328 -0.232 0.000 1.115 477 H CA -0.493 55.375 56.048 -0.300 0.000 1.219 477 H CB 1.090 30.622 29.762 -0.384 0.000 1.471 477 H HN 0.633 nan 8.280 nan 0.000 0.491 478 H N 1.457 120.630 119.070 0.171 0.000 3.109 478 H HA -0.162 4.393 4.556 -0.001 0.000 0.245 478 H C 1.202 176.486 175.328 -0.074 0.000 1.187 478 H CA 0.571 56.646 56.048 0.046 0.000 1.136 478 H CB -1.423 28.364 29.762 0.041 0.000 1.243 478 H HN 0.663 nan 8.280 nan 0.000 0.328 479 L N 0.971 122.233 121.223 0.065 0.000 2.275 479 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 479 L C 2.764 179.712 176.870 0.129 0.000 1.119 479 L CA 1.494 56.383 54.840 0.082 0.000 0.790 479 L CB -0.526 41.591 42.059 0.096 0.000 0.919 479 L HN 0.483 nan 8.230 nan 0.000 0.443 480 H N 0.438 119.503 119.070 -0.007 0.000 2.543 480 H HA -0.086 4.469 4.556 -0.001 0.000 0.286 480 H C 1.609 177.096 175.328 0.264 0.000 1.037 480 H CA 0.596 56.660 56.048 0.027 0.000 1.250 480 H CB -0.309 29.324 29.762 -0.215 0.000 1.373 480 H HN 0.384 nan 8.280 nan 0.000 0.580 481 R N 0.948 121.265 120.500 -0.305 0.000 2.299 481 R HA 0.114 4.454 4.340 -0.001 0.000 0.197 481 R C 0.627 176.951 176.300 0.041 0.000 0.971 481 R CA 0.063 56.090 56.100 -0.121 0.000 1.030 481 R CB 0.340 30.537 30.300 -0.172 0.000 0.932 481 R HN 0.131 nan 8.270 nan 0.000 0.477 482 S N 0.318 116.083 115.700 0.108 0.000 2.617 482 S HA 0.135 4.605 4.470 -0.001 0.000 0.255 482 S C 0.360 174.903 174.600 -0.096 0.000 1.318 482 S CA 0.033 58.225 58.200 -0.013 0.000 0.978 482 S CB 1.123 64.270 63.200 -0.089 0.000 0.961 482 S HN 0.049 nan 8.310 nan 0.000 0.582 483 T N 0.718 115.137 114.554 -0.225 0.000 2.886 483 T HA 0.511 4.860 4.350 -0.001 0.000 0.292 483 T C 0.764 175.262 174.700 -0.338 0.000 1.012 483 T CA -0.672 61.285 62.100 -0.238 0.000 0.982 483 T CB 1.658 70.443 68.868 -0.138 0.000 1.018 483 T HN 0.734 nan 8.240 nan 0.000 0.451 484 T N -0.184 114.167 114.554 -0.337 0.000 2.975 484 T HA 0.392 4.741 4.350 -0.001 0.000 0.261 484 T C 0.502 175.079 174.700 -0.205 0.000 0.984 484 T CA -0.195 61.751 62.100 -0.256 0.000 0.911 484 T CB -0.031 68.728 68.868 -0.183 0.000 1.127 484 T HN 0.358 nan 8.240 nan 0.000 0.514 485 L N 1.688 122.788 121.223 -0.206 0.000 2.399 485 L HA 0.661 5.000 4.340 -0.001 0.000 0.265 485 L C 1.298 178.006 176.870 -0.269 0.000 1.089 485 L CA -0.017 54.682 54.840 -0.235 0.000 0.802 485 L CB 0.612 42.518 42.059 -0.254 0.000 1.180 485 L HN 0.582 nan 8.230 nan 0.000 0.454 486 G N 0.152 108.754 108.800 -0.331 0.000 2.750 486 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.228 486 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.228 486 G C -0.110 174.593 174.900 -0.327 0.000 1.367 486 G CA 0.217 45.077 45.100 -0.401 0.000 0.871 486 G HN 0.552 nan 8.290 nan 0.000 0.560 487 Y N 0.211 120.432 120.300 -0.132 0.000 2.293 487 Y HA 0.037 4.586 4.550 -0.001 0.000 0.291 487 Y C 2.791 178.613 175.900 -0.130 0.000 1.137 487 Y CA 1.842 59.864 58.100 -0.129 0.000 1.202 487 Y CB -0.432 37.986 38.460 -0.070 0.000 0.990 487 Y HN 0.793 nan 8.280 nan 0.000 0.537 488 E N 0.015 120.224 120.200 0.016 0.000 2.051 488 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 488 E C 2.558 179.107 176.600 -0.085 0.000 0.991 488 E CA 1.206 57.590 56.400 -0.027 0.000 0.799 488 E CB -0.517 29.162 29.700 -0.037 0.000 0.748 488 E HN 0.458 nan 8.360 nan 0.000 0.449 489 G N 0.609 109.321 108.800 -0.147 0.000 2.402 489 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 489 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 489 G C 1.668 176.432 174.900 -0.226 0.000 1.162 489 G CA 0.884 45.869 45.100 -0.192 0.000 0.777 489 G HN 0.420 nan 8.290 nan 0.000 0.539 490 A N 0.705 123.332 122.820 -0.321 0.000 1.908 490 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 490 A C 2.459 179.974 177.584 -0.115 0.000 1.181 490 A CA 1.860 53.578 52.037 -0.532 0.000 0.627 490 A CB -0.371 18.178 19.000 -0.751 0.000 0.818 490 A HN 0.391 nan 8.150 nan 0.000 0.445 491 M N -1.058 118.515 119.600 -0.045 0.000 2.159 491 M HA -0.212 4.268 4.480 -0.001 0.000 0.263 491 M C 2.456 178.761 176.300 0.008 0.000 1.063 491 M CA 1.573 56.886 55.300 0.021 0.000 1.110 491 M CB -0.408 32.198 32.600 0.009 0.000 1.374 491 M HN 0.503 nan 8.290 nan 0.000 0.411 492 Q N 0.317 120.096 119.800 -0.034 0.000 2.046 492 Q HA -0.133 4.207 4.340 -0.001 0.000 0.200 492 Q C 2.044 178.027 176.000 -0.028 0.000 0.975 492 Q CA 1.357 57.134 55.803 -0.043 0.000 0.836 492 Q CB -0.178 28.511 28.738 -0.082 0.000 0.896 492 Q HN 0.546 nan 8.270 nan 0.000 0.428 493 I N 0.770 121.332 120.570 -0.013 0.000 2.179 493 I HA -0.307 3.863 4.170 -0.001 0.000 0.242 493 I C 2.442 178.598 176.117 0.064 0.000 1.088 493 I CA 0.950 62.270 61.300 0.032 0.000 1.357 493 I CB -0.289 37.764 38.000 0.089 0.000 1.051 493 I HN 0.238 nan 8.210 nan 0.000 0.409 494 L N 0.241 121.562 121.223 0.165 0.000 2.012 494 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 494 L C 2.603 179.476 176.870 0.004 0.000 1.073 494 L CA 1.933 56.822 54.840 0.081 0.000 0.748 494 L CB -0.445 41.710 42.059 0.161 0.000 0.891 494 L HN 0.246 nan 8.230 nan 0.000 0.431 495 T N -0.841 113.717 114.554 0.008 0.000 2.684 495 T HA -0.191 4.159 4.350 -0.001 0.000 0.267 495 T C 1.735 176.408 174.700 -0.045 0.000 1.036 495 T CA 1.992 64.081 62.100 -0.018 0.000 1.148 495 T CB -0.449 68.410 68.868 -0.015 0.000 0.863 495 T HN 0.468 nan 8.240 nan 0.000 0.436 496 T N 2.466 116.991 114.554 -0.048 0.000 2.708 496 T HA 0.019 4.369 4.350 -0.001 0.000 0.266 496 T C 2.002 176.636 174.700 -0.110 0.000 1.037 496 T CA 0.943 63.001 62.100 -0.069 0.000 1.146 496 T CB -0.474 68.358 68.868 -0.059 0.000 0.865 496 T HN 0.249 nan 8.240 nan 0.000 0.435 497 L N 0.444 121.595 121.223 -0.119 0.000 2.017 497 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 497 L C 2.726 179.502 176.870 -0.157 0.000 1.073 497 L CA 0.943 55.684 54.840 -0.165 0.000 0.745 497 L CB -0.728 41.227 42.059 -0.174 0.000 0.894 497 L HN 0.134 nan 8.230 nan 0.000 0.432 498 V N 0.372 120.228 119.914 -0.097 0.000 2.427 498 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 498 V C 2.148 178.157 176.094 -0.142 0.000 1.051 498 V CA 1.855 64.109 62.300 -0.078 0.000 1.048 498 V CB -0.404 31.406 31.823 -0.021 0.000 0.666 498 V HN 0.501 nan 8.190 nan 0.000 0.456 499 N N 0.014 118.635 118.700 -0.131 0.000 2.331 499 N HA -0.059 4.681 4.740 -0.001 0.000 0.180 499 N C 1.968 177.390 175.510 -0.148 0.000 1.019 499 N CA 1.445 54.412 53.050 -0.139 0.000 0.881 499 N CB -0.186 38.242 38.487 -0.099 0.000 0.972 499 N HN 0.452 nan 8.380 nan 0.000 0.435 500 S N 1.179 116.766 115.700 -0.187 0.000 2.368 500 S HA 0.028 4.498 4.470 -0.001 0.000 0.225 500 S C 2.063 176.539 174.600 -0.206 0.000 1.030 500 S CA 0.543 58.607 58.200 -0.227 0.000 0.999 500 S CB -0.083 62.870 63.200 -0.411 0.000 0.844 500 S HN 0.258 nan 8.310 nan 0.000 0.459 501 I N 1.416 121.825 120.570 -0.269 0.000 2.179 501 I HA -0.194 3.975 4.170 -0.001 0.000 0.242 501 I C 2.026 178.078 176.117 -0.108 0.000 1.088 501 I CA 1.184 62.449 61.300 -0.058 0.000 1.357 501 I CB -0.344 37.633 38.000 -0.038 0.000 1.051 501 I HN 0.228 nan 8.210 nan 0.000 0.409 502 L N -0.052 121.017 121.223 -0.257 0.000 2.093 502 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 502 L C 2.480 179.230 176.870 -0.200 0.000 1.085 502 L CA 1.230 55.858 54.840 -0.355 0.000 0.755 502 L CB -0.588 41.209 42.059 -0.437 0.000 0.904 502 L HN 0.262 nan 8.230 nan 0.000 0.435 503 E N 0.001 120.132 120.200 -0.116 0.000 2.051 503 E HA -0.264 4.086 4.350 -0.001 0.000 0.192 503 E C 2.243 178.838 176.600 -0.008 0.000 0.991 503 E CA 1.042 57.409 56.400 -0.054 0.000 0.799 503 E CB -0.012 29.671 29.700 -0.028 0.000 0.748 503 E HN 0.206 nan 8.360 nan 0.000 0.449 504 R N 1.128 121.655 120.500 0.045 0.000 2.081 504 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 504 R C 2.203 178.511 176.300 0.014 0.000 1.131 504 R CA 0.960 57.102 56.100 0.070 0.000 0.960 504 R CB -0.664 29.745 30.300 0.182 0.000 0.856 504 R HN 0.155 nan 8.270 nan 0.000 0.436 505 L N 0.587 121.796 121.223 -0.023 0.000 2.083 505 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 505 L C 1.289 178.144 176.870 -0.024 0.000 1.083 505 L CA 2.009 56.821 54.840 -0.048 0.000 0.752 505 L CB -0.681 41.297 42.059 -0.136 0.000 0.899 505 L HN 0.174 nan 8.230 nan 0.000 0.433 506 D N -0.410 119.969 120.400 -0.035 0.000 2.117 506 D HA -0.231 4.408 4.640 -0.001 0.000 0.197 506 D C 2.072 178.452 176.300 0.133 0.000 0.987 506 D CA 1.364 55.406 54.000 0.070 0.000 0.829 506 D CB 0.024 40.824 40.800 0.000 0.000 0.961 506 D HN 0.553 nan 8.370 nan 0.000 0.460 507 E N 0.665 120.893 120.200 0.046 0.000 2.058 507 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 507 E C 1.570 178.161 176.600 -0.015 0.000 0.997 507 E CA 1.027 57.435 56.400 0.015 0.000 0.801 507 E CB 0.079 29.783 29.700 0.007 0.000 0.746 507 E HN 0.341 nan 8.360 nan 0.000 0.450 508 E N -0.636 119.554 120.200 -0.017 0.000 2.347 508 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 508 E C 1.457 178.018 176.600 -0.065 0.000 1.008 508 E CA 1.347 57.723 56.400 -0.040 0.000 0.852 508 E CB 0.155 29.832 29.700 -0.037 0.000 0.783 508 E HN 0.340 nan 8.360 nan 0.000 0.505 509 T N -2.306 112.221 114.554 -0.044 0.000 3.129 509 T HA 0.214 4.564 4.350 -0.001 0.000 0.267 509 T C 1.277 175.829 174.700 -0.247 0.000 1.018 509 T CA -0.468 61.581 62.100 -0.086 0.000 0.903 509 T CB 0.291 69.164 68.868 0.009 0.000 1.067 509 T HN -0.079 nan 8.240 nan 0.000 0.549 510 R N 0.947 121.257 120.500 -0.317 0.000 2.310 510 R HA 0.286 4.626 4.340 -0.001 0.000 0.202 510 R C 1.065 177.166 176.300 -0.332 0.000 0.933 510 R CA -0.069 55.684 56.100 -0.577 0.000 1.054 510 R CB -0.269 29.847 30.300 -0.306 0.000 0.985 510 R HN 0.445 nan 8.270 nan 0.000 0.489 511 G N 1.352 110.026 108.800 -0.210 0.000 2.372 511 G HA2 0.160 4.120 3.960 -0.001 0.000 0.286 511 G HA3 0.160 4.120 3.960 -0.001 0.000 0.286 511 G C -0.165 174.674 174.900 -0.102 0.000 1.153 511 G CA -0.498 44.528 45.100 -0.124 0.000 0.985 511 G HN 0.191 nan 8.290 nan 0.000 0.429 512 M N 1.902 121.455 119.600 -0.079 0.000 2.284 512 M HA 0.013 4.492 4.480 -0.001 0.000 0.351 512 M C 1.128 177.420 176.300 -0.014 0.000 1.443 512 M CA 0.767 56.039 55.300 -0.047 0.000 1.031 512 M CB 0.459 33.038 32.600 -0.035 0.000 1.893 512 M HN 0.811 nan 8.290 nan 0.000 0.456 513 Q N 0.880 120.686 119.800 0.010 0.000 2.480 513 Q HA -0.312 4.028 4.340 -0.001 0.000 0.265 513 Q C -0.195 175.836 176.000 0.052 0.000 1.072 513 Q CA 0.861 56.687 55.803 0.038 0.000 1.018 513 Q CB -0.601 28.152 28.738 0.025 0.000 1.433 513 Q HN 0.944 nan 8.270 nan 0.000 0.513 514 A N -1.777 121.074 122.820 0.052 0.000 1.876 514 A HA 0.186 4.506 4.320 -0.001 0.000 0.193 514 A C 1.297 178.944 177.584 0.105 0.000 1.883 514 A CA 0.786 52.862 52.037 0.066 0.000 1.052 514 A CB 0.067 19.078 19.000 0.017 0.000 1.049 514 A HN 0.639 nan 8.150 nan 0.000 0.615 515 T N -1.631 112.906 114.554 -0.028 0.000 3.040 515 T HA 0.088 4.437 4.350 -0.001 0.000 0.266 515 T C 0.740 175.202 174.700 -0.398 0.000 1.005 515 T CA 0.883 62.849 62.100 -0.223 0.000 0.906 515 T CB 0.105 68.868 68.868 -0.175 0.000 1.082 515 T HN 0.404 nan 8.240 nan 0.000 0.531 516 D N 1.671 121.954 120.400 -0.195 0.000 2.363 516 D HA -0.123 4.517 4.640 -0.001 0.000 0.226 516 D C 1.583 177.856 176.300 -0.044 0.000 1.020 516 D CA 0.065 53.980 54.000 -0.140 0.000 0.892 516 D CB -0.702 40.024 40.800 -0.123 0.000 0.900 516 D HN 0.673 nan 8.370 nan 0.000 0.531 517 Y N 0.399 120.722 120.300 0.039 0.000 2.315 517 Y HA -0.051 4.499 4.550 -0.001 0.000 0.288 517 Y C 1.335 177.275 175.900 0.066 0.000 1.154 517 Y CA 1.154 59.281 58.100 0.046 0.000 1.229 517 Y CB -1.140 37.339 38.460 0.031 0.000 0.980 517 Y HN -0.041 nan 8.280 nan 0.000 0.540 518 N N -0.338 118.170 118.700 -0.319 0.000 2.273 518 N HA -0.031 4.708 4.740 -0.001 0.000 0.231 518 N C -0.605 174.898 175.510 -0.012 0.000 1.134 518 N CA -0.191 52.795 53.050 -0.107 0.000 0.856 518 N CB -0.655 37.705 38.487 -0.212 0.000 1.068 518 N HN 0.387 nan 8.380 nan 0.000 0.510 519 H N 0.222 119.230 119.070 -0.103 0.000 2.768 519 H HA 0.224 4.780 4.556 -0.001 0.000 0.219 519 H C -0.805 174.506 175.328 -0.030 0.000 1.898 519 H CA -0.512 55.494 56.048 -0.071 0.000 1.313 519 H CB -0.750 28.970 29.762 -0.069 0.000 1.701 519 H HN 0.123 nan 8.280 nan 0.000 0.534 520 D N 1.439 121.797 120.400 -0.069 0.000 2.424 520 D HA -0.074 4.565 4.640 -0.001 0.000 0.244 520 D C 1.460 177.694 176.300 -0.111 0.000 1.134 520 D CA -0.231 53.743 54.000 -0.042 0.000 0.881 520 D CB 1.165 41.974 40.800 0.016 0.000 1.191 520 D HN 0.364 nan 8.370 nan 0.000 0.445 521 L N 3.259 124.444 121.223 -0.062 0.000 2.046 521 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 521 L C 0.175 177.013 176.870 -0.052 0.000 1.077 521 L CA 1.530 56.331 54.840 -0.065 0.000 0.747 521 L CB 0.258 42.301 42.059 -0.027 0.000 0.896 521 L HN 0.209 nan 8.230 nan 0.000 0.432 522 V N 1.895 121.799 119.914 -0.018 0.000 2.398 522 V HA 0.542 4.661 4.120 -0.001 0.000 0.286 522 V C 0.049 176.169 176.094 0.043 0.000 1.026 522 V CA -0.824 61.481 62.300 0.008 0.000 0.868 522 V CB 1.302 33.138 31.823 0.022 0.000 0.982 522 V HN 0.197 nan 8.190 nan 0.000 0.443 523 R N 0.000 120.532 120.500 0.054 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 523 R CA 0.000 56.201 56.100 0.169 0.000 0.921 523 R CB 0.000 30.270 30.300 -0.051 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535