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 2xr8_1_I DATA FIRST_RESID 18 DATA SEQUENCE NWTPEAIRGL VDQEKGLLDP RIYADQSLYE LELERVFGRS WLLLGHESHV DATA SEQUENCE PETGDFLATY MGEDPVVMVR QKDKSIKVFL NQCRHRGMRI CRSDAGNAKA DATA SEQUENCE FTCSYHGWAY DIAGKLVNVP FEKEAFXXXX XXXXXFDKAE WGPLQARVAT DATA SEQUENCE YKGLVFANWD VQAPDLETYL GDARPYMDVM LDRTPAGTVA IGGMQKWVIP DATA SEQUENCE CNWKFAAEQF CSDMYHAGTT THLSGILAGI PPEMDLSQAQ IPTKGNQFRA DATA SEQUENCE AWGGHGSGWY VDEPGSLLAV MGPKVTQYWT EGPAAELAEQ RLGHTGMPVR DATA SEQUENCE RMVGQHMTIF PTCSFLPTFN NIRIWHPRGP NEIEVWAFTL VDADAPAEIK DATA SEQUENCE EEYRRHNIRN FSAGGVFEQD DGENWVEIQK GLRGYKAKSQ PLNAQMGLGR DATA SEQUENCE SQTGHPDFPG NVGYVYAEEA ARGMYHHWMR MMSEPSWATL KP 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 18 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.373 175.510 -0.228 0.000 1.280 18 N CA 0.000 52.922 53.050 -0.213 0.000 0.885 18 N CB 0.000 38.456 38.487 -0.051 0.000 1.341 19 W N 1.797 123.096 121.300 -0.002 0.000 2.356 19 W HA 0.395 5.055 4.660 0.000 0.000 0.311 19 W C 0.838 177.340 176.519 -0.028 0.000 1.328 19 W CA 0.017 57.355 57.345 -0.012 0.000 1.251 19 W CB 0.518 29.971 29.460 -0.011 0.000 1.280 19 W HN 0.442 nan 8.180 nan 0.000 0.524 20 T N 0.840 115.512 114.554 0.197 0.000 2.943 20 T HA 0.329 4.679 4.350 -0.000 0.000 0.284 20 T C -1.887 172.867 174.700 0.091 0.000 1.015 20 T CA -2.209 59.950 62.100 0.099 0.000 1.042 20 T CB 1.920 70.815 68.868 0.046 0.000 1.055 20 T HN 0.048 nan 8.240 nan 0.000 0.500 21 P HA -0.118 nan 4.420 nan 0.000 0.218 21 P C 1.269 178.570 177.300 0.000 0.000 1.146 21 P CA 0.974 64.066 63.100 -0.015 0.000 0.813 21 P CB 0.201 31.880 31.700 -0.035 0.000 0.778 22 E N -0.550 119.665 120.200 0.026 0.000 2.086 22 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 22 E C 1.943 178.584 176.600 0.067 0.000 0.975 22 E CA 0.791 57.210 56.400 0.031 0.000 0.813 22 E CB -0.373 29.341 29.700 0.024 0.000 0.768 22 E HN 0.054 nan 8.360 nan 0.000 0.457 23 A N 1.073 123.962 122.820 0.114 0.000 1.972 23 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 23 A C 2.080 179.834 177.584 0.283 0.000 1.169 23 A CA 0.991 53.150 52.037 0.204 0.000 0.635 23 A CB -0.512 18.627 19.000 0.232 0.000 0.810 23 A HN 0.300 nan 8.150 nan 0.000 0.446 24 I N -0.994 119.691 120.570 0.191 0.000 2.252 24 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 24 I C 2.622 178.745 176.117 0.009 0.000 1.102 24 I CA 1.045 62.364 61.300 0.032 0.000 1.385 24 I CB -0.272 37.661 38.000 -0.111 0.000 1.064 24 I HN 0.242 nan 8.210 nan 0.000 0.414 25 R N 0.608 121.114 120.500 0.010 0.000 2.193 25 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 25 R C 2.221 178.545 176.300 0.041 0.000 1.110 25 R CA 1.230 57.336 56.100 0.009 0.000 0.988 25 R CB -0.527 29.775 30.300 0.003 0.000 0.871 25 R HN 0.446 nan 8.270 nan 0.000 0.458 26 G N 0.422 109.260 108.800 0.063 0.000 2.650 26 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 26 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 26 G C 1.324 176.260 174.900 0.060 0.000 1.136 26 G CA -0.004 45.135 45.100 0.064 0.000 0.789 26 G HN 0.148 nan 8.290 nan 0.000 0.536 27 L N -0.098 121.165 121.223 0.067 0.000 2.240 27 L HA 0.152 4.492 4.340 -0.000 0.000 0.211 27 L C 0.176 177.043 176.870 -0.006 0.000 1.106 27 L CA 0.244 55.105 54.840 0.035 0.000 0.793 27 L CB 0.066 42.152 42.059 0.044 0.000 0.927 27 L HN -0.054 nan 8.230 nan 0.000 0.446 28 V N -0.678 119.256 119.914 0.034 0.000 2.638 28 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 28 V C -1.334 174.789 176.094 0.048 0.000 1.052 28 V CA -0.700 61.617 62.300 0.028 0.000 0.885 28 V CB 2.253 34.142 31.823 0.109 0.000 0.999 28 V HN -0.075 nan 8.190 nan 0.000 0.424 29 D N 2.828 123.237 120.400 0.015 0.000 2.421 29 D HA 0.295 4.935 4.640 -0.000 0.000 0.254 29 D C 0.779 177.073 176.300 -0.011 0.000 1.238 29 D CA -0.408 53.600 54.000 0.013 0.000 0.919 29 D CB 1.963 42.761 40.800 -0.002 0.000 1.152 29 D HN 0.681 nan 8.370 nan 0.000 0.552 30 Q N 1.681 121.467 119.800 -0.023 0.000 2.311 30 Q HA -0.013 4.327 4.340 -0.000 0.000 0.203 30 Q C 0.786 176.739 176.000 -0.079 0.000 0.954 30 Q CA 0.792 56.552 55.803 -0.072 0.000 0.885 30 Q CB 0.298 28.933 28.738 -0.171 0.000 0.963 30 Q HN 0.168 nan 8.270 nan 0.000 0.471 31 E N 1.035 121.194 120.200 -0.069 0.000 2.106 31 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 31 E C 1.556 178.134 176.600 -0.037 0.000 0.984 31 E CA 1.026 57.394 56.400 -0.053 0.000 0.806 31 E CB 0.261 29.936 29.700 -0.042 0.000 0.750 31 E HN 0.182 nan 8.360 nan 0.000 0.458 32 K N -1.437 118.945 120.400 -0.031 0.000 2.323 32 K HA 0.180 4.500 4.320 -0.000 0.000 0.197 32 K C 0.594 177.176 176.600 -0.030 0.000 1.043 32 K CA 0.785 57.056 56.287 -0.026 0.000 0.997 32 K CB 0.760 33.248 32.500 -0.021 0.000 0.807 32 K HN 0.216 nan 8.250 nan 0.000 0.497 33 G N 2.123 110.902 108.800 -0.036 0.000 2.291 33 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.271 33 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.271 33 G C -0.365 174.504 174.900 -0.051 0.000 1.099 33 G CA -0.067 45.008 45.100 -0.041 0.000 0.919 33 G HN 0.135 nan 8.290 nan 0.000 0.496 34 L N -0.611 120.578 121.223 -0.058 0.000 2.362 34 L HA 0.809 5.149 4.340 -0.000 0.000 0.271 34 L C 0.290 177.092 176.870 -0.113 0.000 1.002 34 L CA -1.191 53.606 54.840 -0.071 0.000 0.818 34 L CB 2.084 44.115 42.059 -0.047 0.000 1.298 34 L HN 0.102 nan 8.230 nan 0.000 0.420 35 L N 1.588 122.721 121.223 -0.151 0.000 2.381 35 L HA 0.418 4.758 4.340 -0.000 0.000 0.274 35 L C -0.682 176.092 176.870 -0.160 0.000 0.988 35 L CA -0.649 54.050 54.840 -0.234 0.000 0.824 35 L CB 2.080 43.885 42.059 -0.424 0.000 1.263 35 L HN 0.497 nan 8.230 nan 0.000 0.410 36 D N 4.782 125.092 120.400 -0.151 0.000 2.358 36 D HA 0.115 4.755 4.640 -0.000 0.000 0.258 36 D C -1.692 174.529 176.300 -0.130 0.000 1.223 36 D CA -1.584 52.358 54.000 -0.096 0.000 0.886 36 D CB 1.872 42.644 40.800 -0.047 0.000 1.120 36 D HN 0.238 nan 8.370 nan 0.000 0.482 37 P HA -0.074 nan 4.420 nan 0.000 0.221 37 P C 1.158 178.486 177.300 0.046 0.000 1.145 37 P CA 0.747 63.901 63.100 0.090 0.000 0.795 37 P CB 0.217 31.975 31.700 0.097 0.000 0.775 38 R N 0.010 120.506 120.500 -0.007 0.000 2.249 38 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 38 R C 2.217 178.462 176.300 -0.092 0.000 1.121 38 R CA 1.097 57.212 56.100 0.024 0.000 0.997 38 R CB -0.952 29.423 30.300 0.126 0.000 0.867 38 R HN 0.366 nan 8.270 nan 0.000 0.465 39 I N -2.781 117.587 120.570 -0.337 0.000 2.454 39 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 39 I C 1.063 176.810 176.117 -0.616 0.000 1.156 39 I CA 1.484 62.437 61.300 -0.579 0.000 1.433 39 I CB -0.371 37.029 38.000 -0.999 0.000 1.082 39 I HN 0.034 nan 8.210 nan 0.000 0.432 40 Y N 1.248 121.366 120.300 -0.303 0.000 2.490 40 Y HA 0.359 4.909 4.550 -0.000 0.000 0.285 40 Y C 2.623 178.448 175.900 -0.125 0.000 1.117 40 Y CA 0.519 58.419 58.100 -0.334 0.000 1.262 40 Y CB -0.034 38.187 38.460 -0.399 0.000 1.043 40 Y HN 0.198 nan 8.280 nan 0.000 0.553 41 A N -0.727 122.145 122.820 0.086 0.000 2.055 41 A HA 0.066 4.386 4.320 -0.000 0.000 0.205 41 A C 0.071 177.716 177.584 0.102 0.000 1.235 41 A CA -0.113 51.984 52.037 0.101 0.000 0.822 41 A CB -0.238 18.832 19.000 0.116 0.000 0.903 41 A HN 0.210 nan 8.150 nan 0.000 0.473 42 D N -0.290 120.179 120.400 0.115 0.000 2.450 42 D HA 0.204 4.844 4.640 -0.000 0.000 0.247 42 D C 1.134 177.550 176.300 0.192 0.000 1.162 42 D CA 0.198 54.307 54.000 0.181 0.000 0.879 42 D CB 0.909 41.852 40.800 0.238 0.000 1.163 42 D HN 0.249 nan 8.370 nan 0.000 0.472 43 Q N 1.784 121.701 119.800 0.195 0.000 2.083 43 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 43 Q C 1.554 177.708 176.000 0.256 0.000 0.969 43 Q CA 1.528 57.450 55.803 0.198 0.000 0.838 43 Q CB -0.025 28.801 28.738 0.147 0.000 0.900 43 Q HN 0.499 nan 8.270 nan 0.000 0.436 44 S N 0.227 116.096 115.700 0.281 0.000 2.368 44 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 44 S C 1.850 176.582 174.600 0.219 0.000 1.029 44 S CA 1.170 59.554 58.200 0.308 0.000 0.988 44 S CB -0.341 63.146 63.200 0.479 0.000 0.838 44 S HN 0.373 nan 8.310 nan 0.000 0.462 45 L N -0.132 121.163 121.223 0.119 0.000 2.141 45 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 45 L C 2.398 179.352 176.870 0.140 0.000 1.094 45 L CA 1.368 56.167 54.840 -0.068 0.000 0.763 45 L CB -0.510 41.439 42.059 -0.185 0.000 0.908 45 L HN 0.324 nan 8.230 nan 0.000 0.437 46 Y N 1.224 121.600 120.300 0.128 0.000 2.145 46 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 46 Y C 2.451 178.443 175.900 0.153 0.000 1.145 46 Y CA 1.741 59.956 58.100 0.191 0.000 1.148 46 Y CB -0.134 38.423 38.460 0.162 0.000 0.981 46 Y HN 0.165 nan 8.280 nan 0.000 0.507 47 E N -0.353 119.908 120.200 0.102 0.000 2.160 47 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 47 E C 1.946 178.516 176.600 -0.050 0.000 0.991 47 E CA 1.239 57.639 56.400 -0.001 0.000 0.810 47 E CB -0.250 29.506 29.700 0.094 0.000 0.742 47 E HN 0.409 nan 8.360 nan 0.000 0.466 48 L N 0.876 122.085 121.223 -0.023 0.000 2.240 48 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 48 L C 1.870 178.690 176.870 -0.084 0.000 1.106 48 L CA 1.335 56.137 54.840 -0.063 0.000 0.793 48 L CB 0.075 42.078 42.059 -0.093 0.000 0.927 48 L HN 0.013 nan 8.230 nan 0.000 0.446 49 E N -0.615 119.572 120.200 -0.023 0.000 2.077 49 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 49 E C 2.204 178.884 176.600 0.134 0.000 0.989 49 E CA 1.217 57.673 56.400 0.094 0.000 0.800 49 E CB -0.161 29.787 29.700 0.412 0.000 0.746 49 E HN 0.458 nan 8.360 nan 0.000 0.452 50 L N 0.796 122.003 121.223 -0.027 0.000 2.131 50 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 50 L C 2.599 179.470 176.870 0.001 0.000 1.092 50 L CA 1.085 55.906 54.840 -0.032 0.000 0.759 50 L CB -0.317 41.599 42.059 -0.238 0.000 0.903 50 L HN 0.207 nan 8.230 nan 0.000 0.435 51 E N 0.038 120.211 120.200 -0.044 0.000 2.014 51 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 51 E C 2.348 178.912 176.600 -0.061 0.000 0.980 51 E CA 0.532 56.900 56.400 -0.053 0.000 0.807 51 E CB 0.247 29.906 29.700 -0.067 0.000 0.770 51 E HN 0.272 nan 8.360 nan 0.000 0.451 52 R N 0.118 120.553 120.500 -0.108 0.000 2.127 52 R HA 0.024 4.364 4.340 -0.000 0.000 0.217 52 R C 2.218 178.415 176.300 -0.172 0.000 1.074 52 R CA 0.608 56.603 56.100 -0.176 0.000 0.991 52 R CB -0.155 29.989 30.300 -0.260 0.000 0.895 52 R HN 0.188 nan 8.270 nan 0.000 0.450 53 V N -0.408 119.413 119.914 -0.156 0.000 2.502 53 V HA -0.005 4.115 4.120 -0.000 0.000 0.234 53 V C 1.897 177.838 176.094 -0.256 0.000 1.072 53 V CA 1.010 63.174 62.300 -0.227 0.000 1.094 53 V CB -0.549 31.067 31.823 -0.346 0.000 0.761 53 V HN -0.007 nan 8.190 nan 0.000 0.489 54 F N 1.758 121.645 119.950 -0.106 0.000 2.325 54 F HA 0.099 4.626 4.527 0.000 0.000 0.299 54 F C 2.320 178.143 175.800 0.037 0.000 1.090 54 F CA 1.262 59.202 58.000 -0.100 0.000 1.392 54 F CB -0.760 38.136 39.000 -0.172 0.000 1.053 54 F HN 0.252 nan 8.300 nan 0.000 0.521 55 G N 0.246 109.167 108.800 0.202 0.000 2.744 55 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.211 55 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.211 55 G C 1.352 176.403 174.900 0.252 0.000 1.143 55 G CA 0.417 45.653 45.100 0.225 0.000 0.788 55 G HN 0.479 nan 8.290 nan 0.000 0.534 56 R N -1.465 119.138 120.500 0.171 0.000 2.496 56 R HA 0.292 4.632 4.340 -0.000 0.000 0.369 56 R C -0.216 176.170 176.300 0.143 0.000 0.896 56 R CA -0.238 55.976 56.100 0.189 0.000 1.147 56 R CB 0.090 30.573 30.300 0.305 0.000 1.697 56 R HN 0.064 nan 8.270 nan 0.000 0.518 57 S N 0.730 116.461 115.700 0.051 0.000 2.687 57 S HA 0.353 4.823 4.470 -0.000 0.000 0.283 57 S C -0.985 173.457 174.600 -0.262 0.000 1.170 57 S CA -0.642 57.561 58.200 0.006 0.000 1.008 57 S CB 0.668 63.953 63.200 0.141 0.000 1.026 57 S HN 0.221 nan 8.310 nan 0.000 0.541 58 W N 2.123 123.215 121.300 -0.347 0.000 2.356 58 W HA 0.464 5.124 4.660 0.000 0.000 0.311 58 W C -0.624 175.934 176.519 0.065 0.000 1.328 58 W CA -0.333 56.867 57.345 -0.242 0.000 1.251 58 W CB 0.018 29.165 29.460 -0.523 0.000 1.280 58 W HN 0.269 nan 8.180 nan 0.000 0.524 59 L N 5.183 126.605 121.223 0.332 0.000 2.341 59 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 59 L C -0.305 176.688 176.870 0.204 0.000 1.005 59 L CA -1.404 53.584 54.840 0.246 0.000 0.818 59 L CB 1.147 43.257 42.059 0.084 0.000 1.259 59 L HN 0.214 nan 8.230 nan 0.000 0.418 60 L N 3.375 124.621 121.223 0.038 0.000 2.410 60 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 60 L C 0.356 177.127 176.870 -0.165 0.000 1.152 60 L CA 0.602 55.216 54.840 -0.376 0.000 0.855 60 L CB 0.518 42.334 42.059 -0.405 0.000 1.129 60 L HN 0.619 nan 8.230 nan 0.000 0.463 61 L N 4.615 125.735 121.223 -0.172 0.000 2.575 61 L HA 0.482 4.822 4.340 -0.000 0.000 0.228 61 L C 1.047 177.886 176.870 -0.052 0.000 1.075 61 L CA 0.500 55.296 54.840 -0.074 0.000 0.867 61 L CB 0.029 42.039 42.059 -0.080 0.000 1.097 61 L HN 0.922 nan 8.230 nan 0.000 0.485 62 G N -1.447 107.323 108.800 -0.050 0.000 2.530 62 G HA2 0.040 4.000 3.960 -0.000 0.000 0.081 62 G HA3 0.040 4.000 3.960 -0.000 0.000 0.081 62 G C -1.583 173.390 174.900 0.122 0.000 1.062 62 G CA -0.518 44.567 45.100 -0.025 0.000 1.108 62 G HN 0.062 nan 8.290 nan 0.000 0.466 63 H N 0.460 119.571 119.070 0.069 0.000 3.012 63 H HA 0.429 4.985 4.556 -0.000 0.000 0.367 63 H C 0.772 176.043 175.328 -0.095 0.000 1.211 63 H CA -0.002 56.001 56.048 -0.076 0.000 1.139 63 H CB 2.245 31.851 29.762 -0.259 0.000 1.838 63 H HN 0.585 nan 8.280 nan 0.000 0.550 64 E N 0.965 120.918 120.200 -0.412 0.000 2.130 64 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 64 E C 1.603 178.202 176.600 -0.002 0.000 0.998 64 E CA 1.875 58.166 56.400 -0.180 0.000 0.806 64 E CB 0.210 29.760 29.700 -0.251 0.000 0.738 64 E HN 0.581 nan 8.360 nan 0.000 0.459 65 S N -0.495 115.319 115.700 0.191 0.000 2.555 65 S HA -0.089 4.381 4.470 -0.000 0.000 0.230 65 S C 1.300 175.862 174.600 -0.064 0.000 0.978 65 S CA 0.550 58.784 58.200 0.057 0.000 0.934 65 S CB -0.354 62.857 63.200 0.019 0.000 0.766 65 S HN 0.371 nan 8.310 nan 0.000 0.533 66 H N 0.856 119.942 119.070 0.026 0.000 2.502 66 H HA 0.196 4.752 4.556 0.000 0.000 0.283 66 H C 0.632 175.929 175.328 -0.050 0.000 1.015 66 H CA 0.940 56.953 56.048 -0.059 0.000 1.298 66 H CB 0.378 30.066 29.762 -0.123 0.000 1.411 66 H HN 0.486 nan 8.280 nan 0.000 0.556 67 V N -2.246 117.714 119.914 0.076 0.000 2.464 67 V HA 0.255 4.375 4.120 -0.000 0.000 0.255 67 V C -2.634 173.477 176.094 0.028 0.000 0.946 67 V CA -1.494 60.833 62.300 0.044 0.000 0.988 67 V CB 1.382 33.243 31.823 0.063 0.000 1.210 67 V HN -0.003 nan 8.190 nan 0.000 0.523 68 P HA 0.074 nan 4.420 nan 0.000 0.214 68 P C 0.561 177.868 177.300 0.012 0.000 1.162 68 P CA 1.247 64.353 63.100 0.009 0.000 0.871 68 P CB 0.398 32.099 31.700 0.002 0.000 0.783 69 E N -0.506 119.701 120.200 0.011 0.000 2.292 69 E HA 0.199 4.549 4.350 -0.000 0.000 0.258 69 E C 0.026 176.645 176.600 0.031 0.000 1.115 69 E CA -0.212 56.197 56.400 0.015 0.000 0.929 69 E CB -0.376 29.328 29.700 0.007 0.000 1.161 69 E HN -0.082 nan 8.360 nan 0.000 0.453 70 T N 0.616 115.190 114.554 0.033 0.000 2.853 70 T HA 0.339 4.689 4.350 -0.000 0.000 0.298 70 T C 1.079 175.816 174.700 0.061 0.000 0.978 70 T CA 0.861 62.991 62.100 0.050 0.000 1.152 70 T CB 0.225 69.117 68.868 0.040 0.000 0.914 70 T HN 0.691 nan 8.240 nan 0.000 0.539 71 G N 3.351 112.212 108.800 0.101 0.000 2.217 71 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.246 71 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.246 71 G C -0.155 174.861 174.900 0.193 0.000 0.990 71 G CA -0.420 44.760 45.100 0.133 0.000 0.627 71 G HN 0.683 nan 8.290 nan 0.000 0.522 72 D N 1.040 121.508 120.400 0.113 0.000 2.425 72 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 72 D C 0.528 176.916 176.300 0.148 0.000 1.147 72 D CA 0.596 54.614 54.000 0.030 0.000 0.879 72 D CB 0.387 41.178 40.800 -0.016 0.000 1.179 72 D HN 0.486 nan 8.370 nan 0.000 0.456 73 F N 0.408 120.427 119.950 0.116 0.000 2.603 73 F HA 0.709 5.236 4.527 0.000 0.000 0.317 73 F C -1.466 174.367 175.800 0.055 0.000 1.066 73 F CA -1.562 56.514 58.000 0.126 0.000 0.941 73 F CB 1.149 40.317 39.000 0.280 0.000 1.291 73 F HN 0.086 nan 8.300 nan 0.000 0.472 74 L N 2.547 123.927 121.223 0.262 0.000 2.482 74 L HA 0.807 5.147 4.340 -0.000 0.000 0.269 74 L C -1.024 175.911 176.870 0.109 0.000 0.967 74 L CA -0.709 54.212 54.840 0.135 0.000 0.851 74 L CB 1.531 43.591 42.059 0.001 0.000 1.242 74 L HN 1.020 nan 8.230 nan 0.000 0.404 75 A N 3.630 126.536 122.820 0.144 0.000 2.343 75 A HA 0.633 4.953 4.320 -0.000 0.000 0.305 75 A C 0.166 177.778 177.584 0.047 0.000 1.308 75 A CA 0.284 52.326 52.037 0.007 0.000 0.949 75 A CB 0.150 19.160 19.000 0.017 0.000 1.148 75 A HN 0.782 nan 8.150 nan 0.000 0.545 76 T N 1.265 115.765 114.554 -0.089 0.000 2.598 76 T HA 0.719 5.069 4.350 -0.000 0.000 0.254 76 T C -1.319 173.054 174.700 -0.545 0.000 0.889 76 T CA -0.307 61.736 62.100 -0.096 0.000 1.091 76 T CB 0.556 69.450 68.868 0.043 0.000 1.437 76 T HN 0.434 nan 8.240 nan 0.000 0.542 77 Y N 0.138 120.097 120.300 -0.567 0.000 2.512 77 Y HA 0.623 5.173 4.550 -0.000 0.000 0.348 77 Y C -0.079 175.673 175.900 -0.247 0.000 0.990 77 Y CA -0.881 56.901 58.100 -0.530 0.000 1.033 77 Y CB 2.165 40.041 38.460 -0.974 0.000 1.259 77 Y HN 0.395 nan 8.280 nan 0.000 0.461 78 M N 3.297 122.924 119.600 0.044 0.000 2.065 78 M HA 0.393 4.873 4.480 -0.000 0.000 0.332 78 M C 0.624 177.006 176.300 0.136 0.000 0.988 78 M CA 0.004 55.362 55.300 0.098 0.000 0.944 78 M CB 0.705 33.353 32.600 0.080 0.000 1.357 78 M HN 1.037 nan 8.290 nan 0.000 0.388 79 G N 2.181 110.994 108.800 0.022 0.000 2.609 79 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.288 79 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.288 79 G C 0.411 175.197 174.900 -0.190 0.000 1.211 79 G CA 0.221 45.157 45.100 -0.272 0.000 0.963 79 G HN 0.669 nan 8.290 nan 0.000 0.541 80 E N 1.450 121.582 120.200 -0.115 0.000 2.501 80 E HA 0.157 4.507 4.350 -0.000 0.000 0.201 80 E C -0.581 176.109 176.600 0.150 0.000 1.016 80 E CA -0.169 56.212 56.400 -0.030 0.000 0.920 80 E CB 0.506 30.184 29.700 -0.038 0.000 1.023 80 E HN 0.436 nan 8.360 nan 0.000 0.474 81 D N 3.387 123.886 120.400 0.165 0.000 2.313 81 D HA 0.136 4.776 4.640 -0.000 0.000 0.239 81 D C -2.312 174.027 176.300 0.066 0.000 1.142 81 D CA -1.656 52.430 54.000 0.143 0.000 0.847 81 D CB 1.456 42.360 40.800 0.174 0.000 1.082 81 D HN -0.020 nan 8.370 nan 0.000 0.480 82 P HA 0.013 nan 4.420 nan 0.000 0.271 82 P C -0.288 176.806 177.300 -0.344 0.000 1.220 82 P CA -0.306 62.427 63.100 -0.612 0.000 0.768 82 P CB 1.006 32.424 31.700 -0.470 0.000 0.848 83 V N 1.738 121.404 119.914 -0.414 0.000 2.914 83 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 83 V C -0.457 175.371 176.094 -0.443 0.000 1.084 83 V CA -1.119 60.981 62.300 -0.332 0.000 0.963 83 V CB 2.211 33.888 31.823 -0.243 0.000 1.025 83 V HN 0.205 nan 8.190 nan 0.000 0.432 84 V N 4.295 123.801 119.914 -0.680 0.000 2.384 84 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 84 V C -0.005 175.711 176.094 -0.630 0.000 1.020 84 V CA -0.334 61.518 62.300 -0.746 0.000 0.850 84 V CB 1.386 32.483 31.823 -1.209 0.000 0.987 84 V HN 1.021 nan 8.190 nan 0.000 0.436 85 M N 6.490 125.929 119.600 -0.268 0.000 2.061 85 M HA 0.689 5.169 4.480 -0.000 0.000 0.346 85 M C -1.465 174.855 176.300 0.034 0.000 1.112 85 M CA -0.343 54.885 55.300 -0.119 0.000 1.021 85 M CB 1.273 33.831 32.600 -0.070 0.000 1.530 85 M HN 0.579 nan 8.290 nan 0.000 0.437 86 V N 5.708 125.678 119.914 0.094 0.000 2.686 86 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 86 V C -1.084 175.124 176.094 0.190 0.000 1.065 86 V CA -0.786 61.655 62.300 0.235 0.000 0.894 86 V CB 2.162 34.239 31.823 0.424 0.000 1.004 86 V HN 0.979 nan 8.190 nan 0.000 0.424 87 R N 5.055 125.653 120.500 0.164 0.000 2.389 87 R HA 0.436 4.776 4.340 -0.000 0.000 0.295 87 R C 0.043 176.418 176.300 0.125 0.000 1.075 87 R CA 0.073 56.242 56.100 0.115 0.000 1.005 87 R CB 0.690 31.038 30.300 0.081 0.000 0.987 87 R HN 0.788 nan 8.270 nan 0.000 0.452 88 Q N 2.646 122.507 119.800 0.102 0.000 2.185 88 Q HA 0.110 4.450 4.340 -0.000 0.000 0.225 88 Q C 0.448 176.487 176.000 0.066 0.000 0.983 88 Q CA -0.501 55.359 55.803 0.094 0.000 0.950 88 Q CB 0.812 29.602 28.738 0.086 0.000 1.176 88 Q HN 0.461 nan 8.270 nan 0.000 0.510 89 K N 1.172 121.606 120.400 0.057 0.000 2.097 89 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 89 K C 0.665 177.283 176.600 0.031 0.000 1.050 89 K CA 1.995 58.306 56.287 0.040 0.000 0.938 89 K CB -0.333 32.187 32.500 0.034 0.000 0.718 89 K HN 0.626 nan 8.250 nan 0.000 0.442 90 D N -0.655 119.764 120.400 0.032 0.000 2.352 90 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 90 D C 0.320 176.634 176.300 0.023 0.000 1.055 90 D CA 0.224 54.239 54.000 0.024 0.000 0.891 90 D CB 0.136 40.950 40.800 0.024 0.000 0.897 90 D HN 0.153 nan 8.370 nan 0.000 0.529 91 K N -0.570 119.847 120.400 0.028 0.000 3.500 91 K HA -0.205 4.115 4.320 -0.000 0.000 0.313 91 K C -0.284 176.329 176.600 0.023 0.000 1.338 91 K CA 0.939 57.239 56.287 0.023 0.000 0.963 91 K CB -2.199 30.307 32.500 0.011 0.000 1.267 91 K HN 0.476 nan 8.250 nan 0.000 0.448 92 S N -0.229 115.490 115.700 0.032 0.000 2.632 92 S HA 0.650 5.120 4.470 -0.000 0.000 0.267 92 S C 0.488 175.118 174.600 0.050 0.000 1.276 92 S CA -0.738 57.483 58.200 0.035 0.000 0.998 92 S CB 1.332 64.556 63.200 0.039 0.000 0.953 92 S HN 0.239 nan 8.310 nan 0.000 0.547 93 I N 1.299 121.899 120.570 0.050 0.000 2.354 93 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 93 I C -0.213 175.950 176.117 0.076 0.000 0.989 93 I CA -0.723 60.614 61.300 0.061 0.000 1.188 93 I CB 1.709 39.732 38.000 0.038 0.000 1.342 93 I HN 0.499 nan 8.210 nan 0.000 0.457 94 K N 4.650 125.114 120.400 0.107 0.000 2.182 94 K HA 0.643 4.963 4.320 -0.000 0.000 0.262 94 K C -1.213 175.450 176.600 0.104 0.000 0.957 94 K CA -0.440 55.932 56.287 0.140 0.000 0.842 94 K CB 1.849 34.480 32.500 0.218 0.000 1.099 94 K HN 0.277 nan 8.250 nan 0.000 0.438 95 V N 5.816 125.771 119.914 0.068 0.000 2.407 95 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 95 V C -1.070 175.033 176.094 0.015 0.000 1.018 95 V CA -0.769 61.486 62.300 -0.075 0.000 0.842 95 V CB 0.323 32.059 31.823 -0.146 0.000 0.996 95 V HN 0.680 nan 8.190 nan 0.000 0.426 96 F N 3.443 123.353 119.950 -0.066 0.000 2.613 96 F HA 0.824 5.351 4.527 -0.000 0.000 0.314 96 F C -0.976 174.840 175.800 0.026 0.000 1.075 96 F CA -1.735 56.268 58.000 0.004 0.000 0.945 96 F CB 1.410 40.390 39.000 -0.032 0.000 1.310 96 F HN 0.319 nan 8.300 nan 0.000 0.467 97 L N 2.851 124.297 121.223 0.371 0.000 2.513 97 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 97 L C 0.501 177.424 176.870 0.088 0.000 1.187 97 L CA 0.363 55.338 54.840 0.225 0.000 0.895 97 L CB -0.088 42.073 42.059 0.171 0.000 1.147 97 L HN 0.762 nan 8.230 nan 0.000 0.483 98 N N 4.999 123.651 118.700 -0.080 0.000 3.243 98 N HA 0.063 4.803 4.740 -0.000 0.000 0.310 98 N C -1.024 174.448 175.510 -0.062 0.000 1.313 98 N CA 0.225 53.194 53.050 -0.135 0.000 1.204 98 N CB -0.276 38.064 38.487 -0.245 0.000 1.483 98 N HN 0.706 nan 8.380 nan 0.000 0.553 99 Q N 0.869 120.662 119.800 -0.012 0.000 2.268 99 Q HA 0.212 4.552 4.340 -0.000 0.000 0.266 99 Q C -1.392 174.631 176.000 0.038 0.000 1.006 99 Q CA -0.713 55.097 55.803 0.011 0.000 0.824 99 Q CB 1.333 30.079 28.738 0.013 0.000 1.306 99 Q HN 0.352 nan 8.270 nan 0.000 0.424 100 C N 4.335 123.681 119.300 0.076 0.000 2.585 100 C HA 0.338 4.798 4.460 -0.000 0.000 0.406 100 C C 1.425 176.517 174.990 0.170 0.000 1.312 100 C CA -0.155 58.965 59.018 0.169 0.000 1.924 100 C CB -0.147 27.721 27.740 0.214 0.000 2.578 100 C HN 0.999 nan 8.230 nan 0.000 0.580 101 R N 2.028 122.704 120.500 0.292 0.000 2.339 101 R HA -0.047 4.293 4.340 -0.000 0.000 0.199 101 R C 1.852 178.290 176.300 0.231 0.000 1.018 101 R CA 0.532 56.843 56.100 0.352 0.000 1.036 101 R CB -0.329 30.341 30.300 0.618 0.000 0.899 101 R HN 0.866 nan 8.270 nan 0.000 0.473 102 H N -0.096 118.842 119.070 -0.220 0.000 2.294 102 H HA 0.010 4.566 4.556 -0.000 0.000 0.306 102 H C 1.155 176.313 175.328 -0.283 0.000 1.065 102 H CA 1.139 56.836 56.048 -0.586 0.000 1.343 102 H CB 0.542 29.389 29.762 -1.524 0.000 1.396 102 H HN -0.063 nan 8.280 nan 0.000 0.506 103 R N -0.984 119.309 120.500 -0.346 0.000 2.527 103 R HA 0.168 4.508 4.340 -0.000 0.000 0.402 103 R C 0.363 176.658 176.300 -0.008 0.000 0.933 103 R CA 0.710 56.668 56.100 -0.236 0.000 1.171 103 R CB 0.656 30.775 30.300 -0.302 0.000 1.612 103 R HN 0.581 nan 8.270 nan 0.000 0.546 104 G N 0.830 109.641 108.800 0.019 0.000 2.157 104 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.239 104 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.239 104 G C -0.003 174.925 174.900 0.047 0.000 0.982 104 G CA 0.288 45.412 45.100 0.039 0.000 0.650 104 G HN 0.246 nan 8.290 nan 0.000 0.527 105 M N 1.204 120.855 119.600 0.085 0.000 2.248 105 M HA 0.500 4.980 4.480 -0.000 0.000 0.337 105 M C 0.879 177.211 176.300 0.053 0.000 1.121 105 M CA -0.825 54.515 55.300 0.067 0.000 1.155 105 M CB 0.376 33.054 32.600 0.129 0.000 1.514 105 M HN 0.293 nan 8.290 nan 0.000 0.452 106 R N 3.873 124.385 120.500 0.022 0.000 2.449 106 R HA 0.133 4.473 4.340 -0.000 0.000 0.296 106 R C 0.446 176.761 176.300 0.026 0.000 1.047 106 R CA 0.126 56.227 56.100 0.003 0.000 1.018 106 R CB 0.080 30.374 30.300 -0.010 0.000 0.962 106 R HN 0.925 nan 8.270 nan 0.000 0.428 107 I N 2.827 123.393 120.570 -0.005 0.000 2.339 107 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 107 I C 0.960 177.093 176.117 0.026 0.000 1.096 107 I CA 0.412 61.728 61.300 0.027 0.000 1.408 107 I CB 0.141 38.090 38.000 -0.086 0.000 1.092 107 I HN 0.509 nan 8.210 nan 0.000 0.423 108 C N 2.263 121.499 119.300 -0.107 0.000 2.251 108 C HA 0.384 4.844 4.460 -0.000 0.000 0.323 108 C C 1.441 176.398 174.990 -0.055 0.000 1.241 108 C CA -0.553 58.392 59.018 -0.122 0.000 1.601 108 C CB -0.306 27.181 27.740 -0.423 0.000 2.251 108 C HN 0.372 nan 8.230 nan 0.000 0.488 109 R N 2.816 123.330 120.500 0.024 0.000 2.362 109 R HA 0.161 4.501 4.340 -0.000 0.000 0.227 109 R C 0.754 177.108 176.300 0.089 0.000 0.905 109 R CA 0.079 56.209 56.100 0.050 0.000 1.067 109 R CB 0.384 30.718 30.300 0.057 0.000 1.078 109 R HN 0.817 nan 8.270 nan 0.000 0.516 110 S N -1.062 114.726 115.700 0.147 0.000 2.664 110 S HA 0.273 4.743 4.470 -0.000 0.000 0.304 110 S C 0.145 174.889 174.600 0.241 0.000 1.099 110 S CA -0.958 57.362 58.200 0.200 0.000 1.003 110 S CB 1.962 65.319 63.200 0.261 0.000 1.092 110 S HN -0.169 nan 8.310 nan 0.000 0.525 111 D N 1.131 121.629 120.400 0.164 0.000 2.097 111 D HA 0.289 4.929 4.640 -0.000 0.000 0.197 111 D C 0.791 177.175 176.300 0.140 0.000 0.984 111 D CA 1.903 55.970 54.000 0.112 0.000 0.826 111 D CB -0.244 40.564 40.800 0.015 0.000 0.973 111 D HN 0.837 nan 8.370 nan 0.000 0.460 112 A N -1.819 121.049 122.820 0.079 0.000 2.599 112 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 112 A C -0.052 177.206 177.584 -0.543 0.000 1.101 112 A CA 0.007 51.925 52.037 -0.199 0.000 0.674 112 A CB 1.444 20.340 19.000 -0.173 0.000 1.277 112 A HN 0.361 nan 8.150 nan 0.000 0.419 113 G N -0.136 108.002 108.800 -1.102 0.000 2.356 113 G HA2 0.335 4.295 3.960 -0.000 0.000 0.266 113 G HA3 0.335 4.295 3.960 -0.000 0.000 0.266 113 G C -1.680 172.713 174.900 -0.847 0.000 1.312 113 G CA -0.082 44.529 45.100 -0.814 0.000 0.922 113 G HN 1.096 nan 8.290 nan 0.000 0.480 114 N N 0.358 118.873 118.700 -0.309 0.000 2.284 114 N HA 0.652 5.392 4.740 -0.000 0.000 0.300 114 N C -0.661 174.974 175.510 0.208 0.000 1.047 114 N CA 0.161 53.191 53.050 -0.033 0.000 0.821 114 N CB 2.014 40.486 38.487 -0.025 0.000 1.337 114 N HN 1.124 nan 8.380 nan 0.000 0.482 115 A N 2.829 125.784 122.820 0.226 0.000 2.371 115 A HA 0.414 4.734 4.320 -0.000 0.000 0.311 115 A C 0.313 177.830 177.584 -0.111 0.000 1.068 115 A CA -0.520 51.498 52.037 -0.032 0.000 0.744 115 A CB 1.561 20.225 19.000 -0.560 0.000 1.239 115 A HN 0.732 nan 8.150 nan 0.000 0.435 116 K N 0.575 120.906 120.400 -0.114 0.000 2.243 116 K HA 0.450 4.770 4.320 -0.000 0.000 0.201 116 K C 0.571 177.100 176.600 -0.118 0.000 1.051 116 K CA 1.517 57.756 56.287 -0.080 0.000 0.970 116 K CB 0.353 32.828 32.500 -0.042 0.000 0.755 116 K HN 0.959 nan 8.250 nan 0.000 0.465 117 A N -0.810 121.879 122.820 -0.218 0.000 2.581 117 A HA 0.669 4.989 4.320 -0.000 0.000 0.290 117 A C -1.650 175.704 177.584 -0.384 0.000 1.119 117 A CA -0.790 51.134 52.037 -0.189 0.000 0.670 117 A CB 0.634 19.611 19.000 -0.037 0.000 1.280 117 A HN 0.019 nan 8.150 nan 0.000 0.425 118 F N 0.719 120.740 119.950 0.119 0.000 2.467 118 F HA 0.599 5.126 4.527 -0.000 0.000 0.336 118 F C 0.301 176.235 175.800 0.223 0.000 1.123 118 F CA -0.160 57.918 58.000 0.130 0.000 0.964 118 F CB 2.823 41.899 39.000 0.127 0.000 1.136 118 F HN 0.411 nan 8.300 nan 0.000 0.447 119 T N 1.989 116.748 114.554 0.342 0.000 2.812 119 T HA 0.187 4.537 4.350 -0.000 0.000 0.282 119 T C -0.812 174.071 174.700 0.305 0.000 0.990 119 T CA -0.566 61.711 62.100 0.295 0.000 0.960 119 T CB 1.311 70.283 68.868 0.173 0.000 0.948 119 T HN 0.739 nan 8.240 nan 0.000 0.438 120 C N 3.958 123.479 119.300 0.368 0.000 2.629 120 C HA 0.270 4.730 4.460 -0.000 0.000 0.410 120 C C 2.130 177.263 174.990 0.239 0.000 1.339 120 C CA 0.076 59.287 59.018 0.322 0.000 1.810 120 C CB -1.002 26.981 27.740 0.405 0.000 2.549 120 C HN 1.065 nan 8.230 nan 0.000 0.589 121 S N 4.038 119.850 115.700 0.186 0.000 2.522 121 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 121 S C 1.414 176.112 174.600 0.163 0.000 0.986 121 S CA 0.752 59.039 58.200 0.145 0.000 0.929 121 S CB -0.418 62.841 63.200 0.097 0.000 0.769 121 S HN 0.954 nan 8.310 nan 0.000 0.529 122 Y N 1.259 121.545 120.300 -0.023 0.000 2.230 122 Y HA 0.065 4.615 4.550 -0.000 0.000 0.294 122 Y C 1.612 177.278 175.900 -0.390 0.000 1.120 122 Y CA 0.975 58.947 58.100 -0.214 0.000 1.129 122 Y CB 0.358 38.690 38.460 -0.213 0.000 1.040 122 Y HN 0.406 nan 8.280 nan 0.000 0.519 123 H N -1.532 117.610 119.070 0.121 0.000 2.916 123 H HA 0.282 4.838 4.556 -0.000 0.000 0.262 123 H C 0.970 176.440 175.328 0.237 0.000 1.178 123 H CA 0.398 56.489 56.048 0.071 0.000 1.090 123 H CB 1.119 30.838 29.762 -0.071 0.000 1.657 123 H HN 0.442 nan 8.280 nan 0.000 0.601 124 G N 0.293 109.278 108.800 0.309 0.000 2.148 124 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 124 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 124 G C -0.373 174.716 174.900 0.313 0.000 0.981 124 G CA -0.203 45.059 45.100 0.270 0.000 0.670 124 G HN 0.237 nan 8.290 nan 0.000 0.528 125 W N 1.160 122.492 121.300 0.053 0.000 2.489 125 W HA 0.590 5.250 4.660 0.000 0.000 0.327 125 W C 0.665 177.076 176.519 -0.180 0.000 1.436 125 W CA -0.152 57.142 57.345 -0.085 0.000 1.315 125 W CB 0.039 29.475 29.460 -0.040 0.000 1.373 125 W HN 0.629 nan 8.180 nan 0.000 0.557 126 A N 5.062 127.781 122.820 -0.169 0.000 2.306 126 A HA 0.792 5.112 4.320 -0.000 0.000 0.314 126 A C -1.659 175.690 177.584 -0.392 0.000 1.164 126 A CA -0.429 51.524 52.037 -0.139 0.000 0.822 126 A CB 0.596 19.554 19.000 -0.070 0.000 1.130 126 A HN 0.508 nan 8.150 nan 0.000 0.496 127 Y N 0.534 120.904 120.300 0.118 0.000 2.512 127 Y HA 0.419 4.969 4.550 -0.000 0.000 0.348 127 Y C 0.084 176.048 175.900 0.106 0.000 0.990 127 Y CA -1.069 57.087 58.100 0.093 0.000 1.033 127 Y CB 1.723 40.240 38.460 0.096 0.000 1.259 127 Y HN 0.866 nan 8.280 nan 0.000 0.461 128 D N 0.998 121.520 120.400 0.204 0.000 2.411 128 D HA 0.086 4.726 4.640 -0.000 0.000 0.251 128 D C 1.111 177.561 176.300 0.251 0.000 1.201 128 D CA -0.491 53.601 54.000 0.153 0.000 0.996 128 D CB 0.664 41.511 40.800 0.078 0.000 1.101 128 D HN 0.635 nan 8.370 nan 0.000 0.504 129 I N -3.624 117.074 120.570 0.215 0.000 3.010 129 I HA 0.003 4.173 4.170 -0.000 0.000 0.271 129 I C 1.599 177.927 176.117 0.352 0.000 1.293 129 I CA 1.080 62.596 61.300 0.359 0.000 1.452 129 I CB -0.373 37.760 38.000 0.222 0.000 1.082 129 I HN 0.333 nan 8.210 nan 0.000 0.484 130 A N 1.245 124.171 122.820 0.177 0.000 2.218 130 A HA 0.471 4.791 4.320 -0.000 0.000 0.209 130 A C 1.907 179.425 177.584 -0.110 0.000 1.168 130 A CA 0.530 52.629 52.037 0.102 0.000 0.804 130 A CB -0.586 18.454 19.000 0.066 0.000 0.834 130 A HN 0.878 nan 8.150 nan 0.000 0.482 131 G N -0.603 107.991 108.800 -0.342 0.000 2.130 131 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 131 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 131 G C 0.076 174.784 174.900 -0.321 0.000 0.999 131 G CA 0.392 44.907 45.100 -0.976 0.000 0.686 131 G HN 0.676 nan 8.290 nan 0.000 0.515 132 K N 0.129 120.505 120.400 -0.040 0.000 2.156 132 K HA 0.619 4.939 4.320 -0.000 0.000 0.271 132 K C 0.155 176.850 176.600 0.157 0.000 0.995 132 K CA -1.076 55.245 56.287 0.057 0.000 0.890 132 K CB 0.743 33.251 32.500 0.013 0.000 1.073 132 K HN 0.130 nan 8.250 nan 0.000 0.454 133 L N 6.511 127.799 121.223 0.108 0.000 2.385 133 L HA 0.046 4.386 4.340 -0.000 0.000 0.281 133 L C 0.451 177.211 176.870 -0.183 0.000 1.106 133 L CA 0.434 55.189 54.840 -0.142 0.000 0.856 133 L CB 0.973 42.964 42.059 -0.114 0.000 1.186 133 L HN 0.607 nan 8.230 nan 0.000 0.453 134 V N 1.683 121.467 119.914 -0.216 0.000 3.635 134 V HA 0.379 4.499 4.120 -0.000 0.000 0.266 134 V C 0.472 176.451 176.094 -0.192 0.000 1.316 134 V CA 0.121 62.327 62.300 -0.157 0.000 1.060 134 V CB -0.297 31.475 31.823 -0.085 0.000 0.820 134 V HN 0.859 nan 8.190 nan 0.000 0.447 135 N N 0.011 118.552 118.700 -0.265 0.000 2.503 135 N HA 0.404 5.144 4.740 -0.000 0.000 0.287 135 N C -2.127 173.151 175.510 -0.388 0.000 1.096 135 N CA -0.178 52.714 53.050 -0.263 0.000 0.936 135 N CB 2.961 41.342 38.487 -0.177 0.000 1.570 135 N HN 0.048 nan 8.380 nan 0.000 0.504 136 V N 4.166 123.817 119.914 -0.439 0.000 2.378 136 V HA 0.439 4.559 4.120 -0.000 0.000 0.288 136 V C -2.159 173.743 176.094 -0.319 0.000 1.016 136 V CA -1.597 60.324 62.300 -0.632 0.000 0.840 136 V CB 1.497 32.742 31.823 -0.964 0.000 0.994 136 V HN 0.605 nan 8.190 nan 0.000 0.431 137 P HA 0.252 nan 4.420 nan 0.000 0.268 137 P C -0.001 177.320 177.300 0.035 0.000 1.204 137 P CA 0.179 63.191 63.100 -0.146 0.000 0.768 137 P CB -0.041 31.665 31.700 0.010 0.000 0.842 138 F N -0.332 119.618 119.950 0.000 0.000 3.057 138 F HA -0.244 4.283 4.527 0.000 0.000 0.287 138 F C 1.600 177.431 175.800 0.052 0.000 0.834 138 F CA 0.829 58.836 58.000 0.012 0.000 1.147 138 F CB -1.941 37.061 39.000 0.002 0.000 1.245 138 F HN 0.410 nan 8.300 nan 0.000 0.509 139 E N 0.800 121.094 120.200 0.156 0.000 2.106 139 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 139 E C 2.147 178.859 176.600 0.187 0.000 0.984 139 E CA 1.478 58.014 56.400 0.227 0.000 0.806 139 E CB 0.060 29.777 29.700 0.028 0.000 0.750 139 E HN 0.370 nan 8.360 nan 0.000 0.458 140 K N 0.785 121.245 120.400 0.100 0.000 2.365 140 K HA -0.096 4.224 4.320 -0.000 0.000 0.199 140 K C 1.019 177.665 176.600 0.076 0.000 1.045 140 K CA 1.113 57.444 56.287 0.074 0.000 0.962 140 K CB 0.224 32.746 32.500 0.036 0.000 0.759 140 K HN 0.118 nan 8.250 nan 0.000 0.469 141 E N -2.080 118.180 120.200 0.101 0.000 2.526 141 E HA 0.220 4.570 4.350 -0.000 0.000 0.208 141 E C 0.714 177.311 176.600 -0.005 0.000 0.997 141 E CA 0.315 56.756 56.400 0.068 0.000 0.961 141 E CB 1.008 30.784 29.700 0.126 0.000 1.030 141 E HN 0.293 nan 8.360 nan 0.000 0.483 142 A N 0.025 122.827 122.820 -0.030 0.000 1.921 142 A HA 0.323 4.643 4.320 -0.000 0.000 0.202 142 A C 0.342 177.700 177.584 -0.377 0.000 1.721 142 A CA -0.076 51.801 52.037 -0.267 0.000 1.025 142 A CB 0.211 18.957 19.000 -0.424 0.000 1.060 142 A HN 0.051 nan 8.150 nan 0.000 0.535 154 D N 4.749 124.779 120.400 -0.617 0.000 2.646 154 D HA 0.398 5.038 4.640 -0.000 0.000 0.245 154 D C 0.222 176.070 176.300 -0.752 0.000 1.099 154 D CA -0.467 53.195 54.000 -0.563 0.000 0.849 154 D CB 2.364 43.033 40.800 -0.217 0.000 1.448 154 D HN 0.662 nan 8.370 nan 0.000 0.489 155 K N 1.595 121.607 120.400 -0.648 0.000 2.288 155 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 155 K C 1.540 178.029 176.600 -0.185 0.000 1.048 155 K CA 0.741 56.759 56.287 -0.447 0.000 0.956 155 K CB 0.185 32.471 32.500 -0.357 0.000 0.746 155 K HN 0.401 nan 8.250 nan 0.000 0.461 156 A N 2.142 124.863 122.820 -0.166 0.000 2.121 156 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 156 A C 1.591 179.130 177.584 -0.075 0.000 1.154 156 A CA 1.293 53.273 52.037 -0.095 0.000 0.679 156 A CB -0.224 18.722 19.000 -0.090 0.000 0.795 156 A HN 0.486 nan 8.150 nan 0.000 0.458 157 E N -3.297 116.844 120.200 -0.098 0.000 2.603 157 E HA 0.069 4.419 4.350 -0.000 0.000 0.211 157 E C 0.051 176.504 176.600 -0.245 0.000 0.995 157 E CA -0.479 55.828 56.400 -0.156 0.000 0.990 157 E CB -0.141 29.445 29.700 -0.191 0.000 1.036 157 E HN 0.699 nan 8.360 nan 0.000 0.475 158 W N 1.638 122.912 121.300 -0.042 0.000 2.771 158 W HA 0.415 5.075 4.660 0.000 0.000 0.412 158 W C 0.752 177.382 176.519 0.186 0.000 0.965 158 W CA -0.488 56.916 57.345 0.098 0.000 2.045 158 W CB 1.257 30.819 29.460 0.169 0.000 1.176 158 W HN 0.087 nan 8.180 nan 0.000 0.634 159 G N 1.958 110.912 108.800 0.258 0.000 2.539 159 G HA2 0.376 4.336 3.960 -0.000 0.000 0.258 159 G HA3 0.376 4.336 3.960 -0.000 0.000 0.258 159 G C -2.172 172.829 174.900 0.170 0.000 1.202 159 G CA -0.943 44.308 45.100 0.252 0.000 0.851 159 G HN -0.254 nan 8.290 nan 0.000 0.556 160 P HA 0.056 nan 4.420 nan 0.000 0.269 160 P C -0.052 177.306 177.300 0.095 0.000 1.215 160 P CA -0.595 62.549 63.100 0.073 0.000 0.780 160 P CB 0.905 32.612 31.700 0.011 0.000 0.898 161 L N 2.951 124.234 121.223 0.100 0.000 2.615 161 L HA -0.023 4.317 4.340 -0.000 0.000 0.271 161 L C 0.590 177.654 176.870 0.324 0.000 1.183 161 L CA 0.827 55.739 54.840 0.120 0.000 0.933 161 L CB -0.459 41.574 42.059 -0.043 0.000 1.199 161 L HN 0.261 nan 8.230 nan 0.000 0.487 162 Q N 3.906 123.869 119.800 0.272 0.000 2.306 162 Q HA 0.629 4.969 4.340 -0.000 0.000 0.241 162 Q C -0.454 175.735 176.000 0.315 0.000 0.948 162 Q CA -0.122 55.849 55.803 0.282 0.000 0.886 162 Q CB 1.564 30.398 28.738 0.160 0.000 1.227 162 Q HN 0.816 nan 8.270 nan 0.000 0.457 163 A N 1.797 124.684 122.820 0.112 0.000 2.380 163 A HA 0.600 4.920 4.320 -0.000 0.000 0.315 163 A C -0.555 176.988 177.584 -0.069 0.000 1.101 163 A CA -0.763 51.200 52.037 -0.123 0.000 0.771 163 A CB 1.036 19.629 19.000 -0.679 0.000 1.287 163 A HN 0.659 nan 8.150 nan 0.000 0.436 164 R N 0.360 120.801 120.500 -0.098 0.000 2.401 164 R HA 0.404 4.744 4.340 -0.000 0.000 0.299 164 R C -0.915 175.463 176.300 0.130 0.000 1.064 164 R CA -0.040 56.069 56.100 0.016 0.000 1.000 164 R CB 0.592 30.887 30.300 -0.008 0.000 0.973 164 R HN 0.419 nan 8.270 nan 0.000 0.438 165 V N 2.070 122.095 119.914 0.184 0.000 2.435 165 V HA 0.697 4.817 4.120 -0.000 0.000 0.290 165 V C -0.134 176.082 176.094 0.204 0.000 1.030 165 V CA -0.797 61.623 62.300 0.201 0.000 0.881 165 V CB 1.630 33.514 31.823 0.100 0.000 0.983 165 V HN 0.902 nan 8.190 nan 0.000 0.445 166 A N 2.683 125.605 122.820 0.170 0.000 2.442 166 A HA 0.692 5.012 4.320 -0.000 0.000 0.284 166 A C -0.426 177.176 177.584 0.030 0.000 1.058 166 A CA -0.434 51.582 52.037 -0.034 0.000 0.738 166 A CB 1.803 20.544 19.000 -0.431 0.000 1.242 166 A HN 0.683 nan 8.150 nan 0.000 0.421 167 T N 1.182 115.757 114.554 0.036 0.000 2.875 167 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 167 T C -1.280 173.485 174.700 0.107 0.000 0.995 167 T CA -0.016 62.134 62.100 0.082 0.000 1.060 167 T CB 0.332 69.202 68.868 0.003 0.000 0.967 167 T HN 0.634 nan 8.240 nan 0.000 0.476 168 Y N 4.376 124.706 120.300 0.051 0.000 2.426 168 Y HA 0.354 4.904 4.550 -0.000 0.000 0.325 168 Y C 0.326 176.231 175.900 0.008 0.000 0.989 168 Y CA -0.760 57.342 58.100 0.004 0.000 1.284 168 Y CB 0.419 38.865 38.460 -0.023 0.000 1.104 168 Y HN 0.855 nan 8.280 nan 0.000 0.481 169 K N 4.797 124.984 120.400 -0.355 0.000 3.490 169 K HA -0.281 4.039 4.320 -0.000 0.000 0.273 169 K C 0.983 177.505 176.600 -0.130 0.000 0.916 169 K CA 1.059 57.179 56.287 -0.278 0.000 0.718 169 K CB -1.492 30.782 32.500 -0.377 0.000 1.477 169 K HN 1.241 nan 8.250 nan 0.000 0.452 170 G N -0.304 108.383 108.800 -0.188 0.000 2.527 170 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 170 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 170 G C 0.206 174.822 174.900 -0.473 0.000 1.177 170 G CA 0.020 44.846 45.100 -0.457 0.000 0.695 170 G HN 0.251 nan 8.290 nan 0.000 0.517 171 L N 1.991 123.169 121.223 -0.076 0.000 2.410 171 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 171 L C 0.414 177.294 176.870 0.017 0.000 1.144 171 L CA -0.413 54.441 54.840 0.024 0.000 0.863 171 L CB 1.296 43.465 42.059 0.184 0.000 1.140 171 L HN 0.089 nan 8.230 nan 0.000 0.463 172 V N 4.645 124.487 119.914 -0.120 0.000 2.370 172 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 172 V C -0.137 175.850 176.094 -0.179 0.000 1.029 172 V CA -0.343 61.925 62.300 -0.053 0.000 0.870 172 V CB 1.056 32.854 31.823 -0.042 0.000 0.984 172 V HN 0.363 nan 8.190 nan 0.000 0.451 173 F N 2.405 122.398 119.950 0.072 0.000 2.523 173 F HA 0.876 5.403 4.527 -0.000 0.000 0.329 173 F C 0.419 176.363 175.800 0.241 0.000 1.061 173 F CA -0.583 57.508 58.000 0.151 0.000 0.967 173 F CB 2.024 41.109 39.000 0.141 0.000 1.218 173 F HN 0.563 nan 8.300 nan 0.000 0.480 174 A N 1.930 124.994 122.820 0.407 0.000 2.475 174 A HA 0.713 5.033 4.320 -0.000 0.000 0.301 174 A C -1.581 175.854 177.584 -0.249 0.000 1.059 174 A CA -0.618 51.480 52.037 0.102 0.000 0.710 174 A CB 1.832 20.725 19.000 -0.178 0.000 1.288 174 A HN 0.662 nan 8.150 nan 0.000 0.408 175 N N 0.517 118.820 118.700 -0.661 0.000 2.287 175 N HA 0.301 5.041 4.740 -0.000 0.000 0.289 175 N C -0.328 174.816 175.510 -0.609 0.000 1.066 175 N CA -0.515 51.981 53.050 -0.922 0.000 0.841 175 N CB 1.360 38.738 38.487 -1.849 0.000 1.599 175 N HN 0.725 nan 8.380 nan 0.000 0.476 176 W N 0.285 121.434 121.300 -0.253 0.000 2.481 176 W HA 0.107 4.767 4.660 0.000 0.000 0.293 176 W C 0.648 177.092 176.519 -0.124 0.000 1.201 176 W CA -0.123 57.138 57.345 -0.139 0.000 1.328 176 W CB 0.113 29.524 29.460 -0.081 0.000 1.112 176 W HN 0.438 nan 8.180 nan 0.000 0.546 177 D N 0.603 121.063 120.400 0.101 0.000 2.371 177 D HA -0.002 4.638 4.640 -0.000 0.000 0.256 177 D C 1.296 177.588 176.300 -0.014 0.000 1.193 177 D CA 0.098 54.151 54.000 0.089 0.000 0.881 177 D CB 1.737 42.660 40.800 0.205 0.000 1.143 177 D HN 0.005 nan 8.370 nan 0.000 0.473 178 V N 1.767 121.695 119.914 0.024 0.000 2.871 178 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 178 V C 1.596 177.675 176.094 -0.026 0.000 1.082 178 V CA 1.078 63.377 62.300 -0.002 0.000 1.105 178 V CB -0.624 31.212 31.823 0.022 0.000 0.713 178 V HN 0.481 nan 8.190 nan 0.000 0.473 179 Q N 0.715 120.513 119.800 -0.004 0.000 2.360 179 Q HA 0.444 4.784 4.340 -0.000 0.000 0.202 179 Q C 1.145 176.932 176.000 -0.355 0.000 0.915 179 Q CA 0.385 56.168 55.803 -0.033 0.000 0.943 179 Q CB 0.326 29.152 28.738 0.146 0.000 1.064 179 Q HN 0.779 nan 8.270 nan 0.000 0.511 180 A N 2.331 124.847 122.820 -0.506 0.000 2.407 180 A HA 0.336 4.656 4.320 -0.000 0.000 0.248 180 A C -2.277 174.958 177.584 -0.581 0.000 1.082 180 A CA -1.161 50.245 52.037 -1.051 0.000 0.785 180 A CB -0.081 18.552 19.000 -0.612 0.000 1.020 180 A HN -0.032 nan 8.150 nan 0.000 0.489 181 P HA 0.247 nan 4.420 nan 0.000 0.275 181 P C -0.788 176.610 177.300 0.165 0.000 1.227 181 P CA -0.265 62.733 63.100 -0.169 0.000 0.781 181 P CB 0.411 31.997 31.700 -0.189 0.000 0.906 182 D N 1.604 122.075 120.400 0.117 0.000 2.419 182 D HA -0.076 4.564 4.640 -0.000 0.000 0.236 182 D C 1.178 177.408 176.300 -0.116 0.000 1.165 182 D CA -0.426 53.650 54.000 0.127 0.000 0.882 182 D CB 0.295 41.106 40.800 0.018 0.000 1.201 182 D HN 0.118 nan 8.370 nan 0.000 0.443 183 L N 0.600 121.397 121.223 -0.710 0.000 2.089 183 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 183 L C 1.969 178.575 176.870 -0.440 0.000 1.079 183 L CA 1.879 56.068 54.840 -1.084 0.000 0.758 183 L CB -0.627 40.595 42.059 -1.395 0.000 0.891 183 L HN 0.480 nan 8.230 nan 0.000 0.433 184 E N -0.767 119.271 120.200 -0.269 0.000 2.038 184 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 184 E C 2.054 178.608 176.600 -0.077 0.000 1.000 184 E CA 2.099 58.419 56.400 -0.134 0.000 0.803 184 E CB -0.616 29.046 29.700 -0.063 0.000 0.750 184 E HN 0.586 nan 8.360 nan 0.000 0.448 185 T N 0.720 115.243 114.554 -0.050 0.000 2.788 185 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 185 T C 1.767 176.486 174.700 0.032 0.000 1.044 185 T CA 1.233 63.312 62.100 -0.034 0.000 1.139 185 T CB -0.521 68.303 68.868 -0.073 0.000 0.867 185 T HN 0.243 nan 8.240 nan 0.000 0.454 186 Y N 1.636 121.927 120.300 -0.015 0.000 2.224 186 Y HA -0.059 4.491 4.550 -0.000 0.000 0.289 186 Y C 1.933 178.025 175.900 0.321 0.000 1.146 186 Y CA 1.101 59.350 58.100 0.248 0.000 1.182 186 Y CB -0.374 38.260 38.460 0.290 0.000 0.983 186 Y HN 0.124 nan 8.280 nan 0.000 0.524 187 L N -0.731 120.558 121.223 0.110 0.000 2.072 187 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 187 L C 1.937 178.825 176.870 0.030 0.000 1.079 187 L CA 0.668 55.442 54.840 -0.111 0.000 0.752 187 L CB -1.199 40.659 42.059 -0.335 0.000 0.906 187 L HN 0.502 nan 8.230 nan 0.000 0.436 188 G N 1.299 110.138 108.800 0.064 0.000 2.547 188 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.271 188 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.271 188 G C 0.331 175.315 174.900 0.140 0.000 1.209 188 G CA 0.324 45.499 45.100 0.125 0.000 0.959 188 G HN 0.503 nan 8.290 nan 0.000 0.563 189 D N 1.136 121.677 120.400 0.236 0.000 2.358 189 D HA 0.359 4.999 4.640 -0.000 0.000 0.241 189 D C 1.857 178.372 176.300 0.358 0.000 1.094 189 D CA 1.474 55.641 54.000 0.279 0.000 0.907 189 D CB -0.474 40.534 40.800 0.347 0.000 0.893 189 D HN 1.067 nan 8.370 nan 0.000 0.528 190 A N 0.288 123.318 122.820 0.351 0.000 2.218 190 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 190 A C 2.187 179.852 177.584 0.135 0.000 1.168 190 A CA -0.123 52.113 52.037 0.332 0.000 0.804 190 A CB -0.268 18.942 19.000 0.350 0.000 0.834 190 A HN 0.079 nan 8.150 nan 0.000 0.482 191 R N 0.104 120.620 120.500 0.027 0.000 2.081 191 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 191 R C -0.842 175.457 176.300 -0.002 0.000 1.131 191 R CA 1.703 57.785 56.100 -0.030 0.000 0.960 191 R CB -1.351 28.939 30.300 -0.015 0.000 0.856 191 R HN 0.353 nan 8.270 nan 0.000 0.436 192 P HA -0.160 nan 4.420 nan 0.000 0.218 192 P C 0.483 177.548 177.300 -0.391 0.000 1.148 192 P CA 1.383 64.306 63.100 -0.294 0.000 0.822 192 P CB -0.039 31.367 31.700 -0.489 0.000 0.784 193 Y N -2.020 118.168 120.300 -0.187 0.000 2.475 193 Y HA 0.063 4.613 4.550 -0.000 0.000 0.289 193 Y C 2.412 178.315 175.900 0.004 0.000 1.121 193 Y CA 0.633 58.623 58.100 -0.183 0.000 1.257 193 Y CB -0.792 37.496 38.460 -0.286 0.000 1.026 193 Y HN -0.120 nan 8.280 nan 0.000 0.555 194 M N -0.468 119.245 119.600 0.187 0.000 2.236 194 M HA -0.151 4.329 4.480 -0.000 0.000 0.266 194 M C 1.036 177.406 176.300 0.117 0.000 1.070 194 M CA 1.263 56.684 55.300 0.201 0.000 1.137 194 M CB -0.133 32.581 32.600 0.189 0.000 1.378 194 M HN 0.088 nan 8.290 nan 0.000 0.426 195 D N 0.299 120.750 120.400 0.085 0.000 2.310 195 D HA -0.079 4.561 4.640 -0.000 0.000 0.212 195 D C 2.030 178.306 176.300 -0.040 0.000 0.965 195 D CA 0.886 54.896 54.000 0.018 0.000 0.879 195 D CB -0.171 40.618 40.800 -0.018 0.000 0.921 195 D HN 0.164 nan 8.370 nan 0.000 0.510 196 V N 0.808 120.705 119.914 -0.029 0.000 2.407 196 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 196 V C 2.255 178.385 176.094 0.060 0.000 1.055 196 V CA 1.381 63.669 62.300 -0.020 0.000 1.049 196 V CB -0.272 31.568 31.823 0.029 0.000 0.662 196 V HN 0.253 nan 8.190 nan 0.000 0.455 197 M N -1.478 118.175 119.600 0.088 0.000 2.615 197 M HA 0.154 4.634 4.480 -0.000 0.000 0.262 197 M C 1.693 178.004 176.300 0.018 0.000 1.198 197 M CA 1.229 56.591 55.300 0.105 0.000 1.165 197 M CB 0.359 32.991 32.600 0.052 0.000 1.310 197 M HN 0.226 nan 8.290 nan 0.000 0.494 198 L N -0.709 120.508 121.223 -0.012 0.000 2.513 198 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 198 L C 0.077 176.917 176.870 -0.051 0.000 1.096 198 L CA 0.297 55.123 54.840 -0.024 0.000 0.857 198 L CB 0.203 42.259 42.059 -0.005 0.000 1.026 198 L HN 0.142 nan 8.230 nan 0.000 0.469 199 D N -0.456 119.904 120.400 -0.067 0.000 2.749 199 D HA 0.172 4.812 4.640 -0.000 0.000 0.338 199 D C 1.140 177.365 176.300 -0.125 0.000 1.236 199 D CA 0.007 53.945 54.000 -0.103 0.000 0.845 199 D CB 0.450 41.179 40.800 -0.118 0.000 1.080 199 D HN -0.077 nan 8.370 nan 0.000 0.497 200 R N -0.651 119.784 120.500 -0.109 0.000 2.195 200 R HA 0.184 4.524 4.340 -0.000 0.000 0.197 200 R C 0.441 176.666 176.300 -0.124 0.000 0.990 200 R CA 0.611 56.625 56.100 -0.143 0.000 1.048 200 R CB 0.591 30.812 30.300 -0.131 0.000 0.997 200 R HN 0.286 nan 8.270 nan 0.000 0.502 201 T N -1.973 112.532 114.554 -0.081 0.000 2.909 201 T HA 0.289 4.639 4.350 -0.000 0.000 0.299 201 T C -2.364 172.300 174.700 -0.061 0.000 1.073 201 T CA -1.872 60.190 62.100 -0.064 0.000 0.999 201 T CB 2.502 71.356 68.868 -0.024 0.000 1.098 201 T HN -0.201 nan 8.240 nan 0.000 0.477 202 P HA 0.053 nan 4.420 nan 0.000 0.231 202 P C 1.297 178.573 177.300 -0.039 0.000 1.158 202 P CA 0.482 63.550 63.100 -0.053 0.000 0.763 202 P CB -0.247 31.425 31.700 -0.047 0.000 0.805 203 A N -0.188 122.616 122.820 -0.028 0.000 2.016 203 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 203 A C 1.270 178.845 177.584 -0.015 0.000 1.162 203 A CA 1.042 53.069 52.037 -0.016 0.000 0.662 203 A CB -1.142 17.855 19.000 -0.004 0.000 0.812 203 A HN 0.402 nan 8.150 nan 0.000 0.450 204 G N -1.464 107.324 108.800 -0.020 0.000 2.756 204 G HA2 0.104 4.064 3.960 -0.000 0.000 0.678 204 G HA3 0.104 4.064 3.960 -0.000 0.000 0.678 204 G C -0.002 174.905 174.900 0.011 0.000 1.349 204 G CA -0.162 44.931 45.100 -0.011 0.000 0.847 204 G HN 1.413 nan 8.290 nan 0.000 0.548 205 T N -2.736 111.844 114.554 0.044 0.000 2.918 205 T HA 0.716 5.066 4.350 -0.000 0.000 0.283 205 T C 0.006 174.718 174.700 0.021 0.000 1.001 205 T CA -0.101 62.016 62.100 0.028 0.000 1.041 205 T CB 2.123 71.009 68.868 0.029 0.000 1.028 205 T HN 1.998 nan 8.240 nan 0.000 0.511 206 V N 0.954 120.789 119.914 -0.131 0.000 2.656 206 V HA 0.721 4.841 4.120 -0.000 0.000 0.307 206 V C -0.151 175.706 176.094 -0.395 0.000 1.051 206 V CA -0.959 61.191 62.300 -0.251 0.000 0.893 206 V CB 1.461 33.220 31.823 -0.106 0.000 0.999 206 V HN 1.396 nan 8.190 nan 0.000 0.426 207 A N 7.122 129.565 122.820 -0.628 0.000 2.409 207 A HA 0.585 4.905 4.320 -0.000 0.000 0.267 207 A C 0.030 177.518 177.584 -0.160 0.000 1.127 207 A CA -0.269 51.536 52.037 -0.385 0.000 0.795 207 A CB -0.130 18.492 19.000 -0.631 0.000 1.061 207 A HN 0.830 nan 8.150 nan 0.000 0.502 208 I N 2.869 123.424 120.570 -0.024 0.000 2.598 208 I HA 0.083 4.253 4.170 -0.000 0.000 0.284 208 I C 1.540 177.699 176.117 0.070 0.000 1.140 208 I CA 0.201 61.516 61.300 0.025 0.000 1.420 208 I CB 0.315 38.352 38.000 0.061 0.000 1.387 208 I HN 0.799 nan 8.210 nan 0.000 0.553 209 G N 4.424 113.251 108.800 0.045 0.000 2.464 209 G HA2 0.366 4.326 3.960 -0.000 0.000 0.231 209 G HA3 0.366 4.326 3.960 -0.000 0.000 0.231 209 G C 0.378 175.329 174.900 0.085 0.000 1.267 209 G CA 0.366 45.503 45.100 0.062 0.000 0.863 209 G HN 1.208 nan 8.290 nan 0.000 0.559 210 G N -0.103 108.743 108.800 0.077 0.000 2.785 210 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 210 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 210 G C -0.576 174.385 174.900 0.102 0.000 1.155 210 G CA 0.074 45.213 45.100 0.065 0.000 0.760 210 G HN 1.374 nan 8.290 nan 0.000 0.624 211 M N 1.445 121.076 119.600 0.051 0.000 2.271 211 M HA 0.518 4.998 4.480 -0.000 0.000 0.285 211 M C -0.276 176.055 176.300 0.051 0.000 1.059 211 M CA -0.674 54.675 55.300 0.081 0.000 0.940 211 M CB 1.574 34.156 32.600 -0.030 0.000 1.636 211 M HN 0.659 nan 8.290 nan 0.000 0.460 212 Q N 4.063 123.965 119.800 0.170 0.000 2.267 212 Q HA 0.438 4.778 4.340 -0.000 0.000 0.255 212 Q C -1.216 174.919 176.000 0.225 0.000 0.923 212 Q CA -0.199 55.751 55.803 0.244 0.000 0.925 212 Q CB 1.462 30.456 28.738 0.426 0.000 1.195 212 Q HN 0.480 nan 8.270 nan 0.000 0.417 213 K N 2.903 123.391 120.400 0.148 0.000 2.463 213 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 213 K C -1.376 175.435 176.600 0.350 0.000 0.942 213 K CA -0.575 55.703 56.287 -0.015 0.000 0.814 213 K CB 1.344 33.553 32.500 -0.485 0.000 1.122 213 K HN 0.606 nan 8.250 nan 0.000 0.425 214 W N 0.003 121.389 121.300 0.143 0.000 3.042 214 W HA 0.649 5.309 4.660 -0.000 0.000 0.342 214 W C -1.756 174.907 176.519 0.241 0.000 1.240 214 W CA -1.121 56.325 57.345 0.169 0.000 1.166 214 W CB 0.568 30.120 29.460 0.153 0.000 1.469 214 W HN 0.061 nan 8.180 nan 0.000 0.579 215 V N 3.099 123.239 119.914 0.376 0.000 2.378 215 V HA 0.431 4.551 4.120 -0.000 0.000 0.288 215 V C -0.220 176.058 176.094 0.307 0.000 1.016 215 V CA -0.836 61.617 62.300 0.255 0.000 0.840 215 V CB 0.943 32.887 31.823 0.202 0.000 0.994 215 V HN 0.509 nan 8.190 nan 0.000 0.431 216 I N 7.047 127.784 120.570 0.278 0.000 2.378 216 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 216 I C -2.195 174.055 176.117 0.222 0.000 0.992 216 I CA -2.102 59.385 61.300 0.311 0.000 1.154 216 I CB 2.681 40.946 38.000 0.443 0.000 1.315 216 I HN 0.409 nan 8.210 nan 0.000 0.448 217 P HA 0.109 nan 4.420 nan 0.000 0.230 217 P C -0.665 176.715 177.300 0.133 0.000 1.791 217 P CA -0.122 63.057 63.100 0.132 0.000 1.020 217 P CB -0.363 31.400 31.700 0.105 0.000 1.977 218 C N 0.036 119.421 119.300 0.142 0.000 3.241 218 C HA 0.503 4.963 4.460 -0.000 0.000 0.312 218 C C -0.105 174.944 174.990 0.098 0.000 1.350 218 C CA -1.238 57.863 59.018 0.140 0.000 1.415 218 C CB 1.195 29.035 27.740 0.166 0.000 1.770 218 C HN 0.345 nan 8.230 nan 0.000 0.466 219 N N 1.643 120.408 118.700 0.109 0.000 2.492 219 N HA 0.040 4.780 4.740 -0.000 0.000 0.260 219 N C 1.217 176.604 175.510 -0.205 0.000 1.215 219 N CA 0.345 53.354 53.050 -0.067 0.000 0.923 219 N CB 0.634 38.975 38.487 -0.244 0.000 1.092 219 N HN 1.001 nan 8.380 nan 0.000 0.448 220 W N 4.724 125.935 121.300 -0.148 0.000 2.392 220 W HA -0.073 4.587 4.660 -0.000 0.000 0.279 220 W C 0.801 177.085 176.519 -0.391 0.000 1.225 220 W CA 0.263 57.465 57.345 -0.237 0.000 1.233 220 W CB -0.465 28.996 29.460 0.002 0.000 1.122 220 W HN 0.521 nan 8.180 nan 0.000 0.561 221 K N 0.327 120.050 120.400 -1.129 0.000 2.211 221 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 221 K C 1.887 178.095 176.600 -0.653 0.000 1.050 221 K CA 1.498 57.134 56.287 -1.085 0.000 0.945 221 K CB -0.594 31.168 32.500 -1.230 0.000 0.732 221 K HN 0.134 nan 8.250 nan 0.000 0.451 222 F N 0.791 120.387 119.950 -0.590 0.000 2.146 222 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 222 F C 2.553 177.795 175.800 -0.930 0.000 1.096 222 F CA 0.758 58.321 58.000 -0.729 0.000 1.275 222 F CB -0.202 38.219 39.000 -0.964 0.000 1.008 222 F HN 0.040 nan 8.300 nan 0.000 0.480 223 A N 0.051 122.195 122.820 -1.128 0.000 1.929 223 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 223 A C 2.312 179.441 177.584 -0.759 0.000 1.176 223 A CA 1.428 52.619 52.037 -1.410 0.000 0.628 223 A CB -1.118 16.522 19.000 -2.268 0.000 0.816 223 A HN 0.302 nan 8.150 nan 0.000 0.444 224 A N -0.467 121.992 122.820 -0.602 0.000 1.930 224 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 224 A C 2.061 179.648 177.584 0.005 0.000 1.175 224 A CA 1.667 53.632 52.037 -0.121 0.000 0.627 224 A CB -0.446 18.591 19.000 0.062 0.000 0.815 224 A HN 0.610 nan 8.150 nan 0.000 0.443 225 E N -0.559 119.573 120.200 -0.112 0.000 2.107 225 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 225 E C 2.164 178.799 176.600 0.057 0.000 0.982 225 E CA 1.104 57.482 56.400 -0.037 0.000 0.809 225 E CB -0.168 29.534 29.700 0.003 0.000 0.756 225 E HN 0.749 nan 8.360 nan 0.000 0.459 226 Q N -0.705 119.138 119.800 0.073 0.000 2.124 226 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 226 Q C 1.668 177.642 176.000 -0.043 0.000 0.977 226 Q CA 1.294 57.116 55.803 0.031 0.000 0.850 226 Q CB 0.004 28.815 28.738 0.120 0.000 0.901 226 Q HN 0.274 nan 8.270 nan 0.000 0.429 227 F N -1.452 118.566 119.950 0.114 0.000 2.664 227 F HA -0.048 4.479 4.527 -0.000 0.000 0.296 227 F C 2.310 178.278 175.800 0.280 0.000 1.125 227 F CA 0.150 58.267 58.000 0.195 0.000 1.444 227 F CB -0.306 38.882 39.000 0.314 0.000 1.114 227 F HN 0.249 nan 8.300 nan 0.000 0.576 228 C N -1.509 117.990 119.300 0.332 0.000 2.500 228 C HA 0.011 4.471 4.460 -0.000 0.000 0.279 228 C C 2.687 177.855 174.990 0.297 0.000 1.288 228 C CA 1.588 60.768 59.018 0.269 0.000 1.710 228 C CB -0.652 27.176 27.740 0.146 0.000 2.052 228 C HN 0.425 nan 8.230 nan 0.000 0.488 229 S N -1.639 114.167 115.700 0.177 0.000 2.684 229 S HA 0.176 4.646 4.470 -0.000 0.000 0.268 229 S C -0.350 174.281 174.600 0.050 0.000 1.075 229 S CA -0.037 58.257 58.200 0.157 0.000 1.184 229 S CB -0.279 62.971 63.200 0.084 0.000 1.129 229 S HN 0.599 nan 8.310 nan 0.000 0.630 230 D N 1.875 122.194 120.400 -0.135 0.000 2.500 230 D HA 0.331 4.971 4.640 -0.000 0.000 0.219 230 D C 0.389 176.663 176.300 -0.043 0.000 1.137 230 D CA -0.146 53.850 54.000 -0.008 0.000 0.946 230 D CB 1.091 41.912 40.800 0.036 0.000 1.022 230 D HN 0.276 nan 8.370 nan 0.000 0.518 231 M N 3.272 122.921 119.600 0.082 0.000 2.516 231 M HA 0.111 4.591 4.480 -0.000 0.000 0.259 231 M C 1.270 177.821 176.300 0.419 0.000 1.146 231 M CA 0.507 55.906 55.300 0.164 0.000 1.122 231 M CB -0.115 32.521 32.600 0.059 0.000 1.341 231 M HN 0.465 nan 8.290 nan 0.000 0.478 232 Y N 0.488 120.972 120.300 0.306 0.000 2.181 232 Y HA -0.400 4.150 4.550 -0.000 0.000 0.284 232 Y C 2.540 178.461 175.900 0.036 0.000 1.179 232 Y CA 2.068 60.237 58.100 0.115 0.000 1.179 232 Y CB -0.172 38.340 38.460 0.086 0.000 0.973 232 Y HN 0.544 nan 8.280 nan 0.000 0.519 233 H N -1.373 117.704 119.070 0.011 0.000 2.462 233 H HA 0.051 4.607 4.556 0.000 0.000 0.292 233 H C 1.934 177.236 175.328 -0.044 0.000 1.049 233 H CA 1.109 57.082 56.048 -0.125 0.000 1.334 233 H CB -0.514 29.188 29.762 -0.100 0.000 1.404 233 H HN 0.395 nan 8.280 nan 0.000 0.544 234 A N 1.091 123.605 122.820 -0.510 0.000 2.021 234 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 234 A C 2.608 180.248 177.584 0.093 0.000 1.163 234 A CA 0.731 52.697 52.037 -0.118 0.000 0.676 234 A CB -0.755 18.256 19.000 0.018 0.000 0.818 234 A HN 0.544 nan 8.150 nan 0.000 0.453 235 G N -0.898 107.983 108.800 0.135 0.000 2.920 235 G HA2 0.223 4.183 3.960 -0.000 0.000 0.208 235 G HA3 0.223 4.183 3.960 -0.000 0.000 0.208 235 G C 1.082 175.938 174.900 -0.073 0.000 1.159 235 G CA 1.499 46.691 45.100 0.153 0.000 0.784 235 G HN 0.605 nan 8.290 nan 0.000 0.535 236 T N -2.497 111.961 114.554 -0.160 0.000 2.709 236 T HA 0.173 4.523 4.350 -0.000 0.000 0.174 236 T C 2.091 176.697 174.700 -0.156 0.000 0.774 236 T CA 1.399 63.372 62.100 -0.212 0.000 1.309 236 T CB 0.096 68.728 68.868 -0.393 0.000 2.586 236 T HN 0.053 nan 8.240 nan 0.000 0.401 237 T N -1.132 113.309 114.554 -0.188 0.000 3.018 237 T HA 0.155 4.505 4.350 -0.000 0.000 0.246 237 T C 2.083 176.676 174.700 -0.179 0.000 1.026 237 T CA 0.890 62.894 62.100 -0.160 0.000 1.081 237 T CB -1.003 67.772 68.868 -0.155 0.000 0.970 237 T HN 0.377 nan 8.240 nan 0.000 0.475 238 T N 1.891 116.305 114.554 -0.234 0.000 2.635 238 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 238 T C 1.138 175.608 174.700 -0.384 0.000 1.040 238 T CA 1.587 63.479 62.100 -0.348 0.000 1.156 238 T CB -0.464 68.137 68.868 -0.445 0.000 0.863 238 T HN 0.508 nan 8.240 nan 0.000 0.430 239 H N 0.608 119.607 119.070 -0.119 0.000 2.524 239 H HA 0.377 4.933 4.556 -0.000 0.000 0.299 239 H C 1.630 176.798 175.328 -0.266 0.000 1.074 239 H CA -0.241 55.665 56.048 -0.237 0.000 1.115 239 H CB -0.413 29.264 29.762 -0.141 0.000 1.522 239 H HN 0.290 nan 8.280 nan 0.000 0.543 240 L N 0.526 121.682 121.223 -0.111 0.000 2.046 240 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 240 L C 2.478 179.264 176.870 -0.140 0.000 1.077 240 L CA 1.718 56.496 54.840 -0.104 0.000 0.747 240 L CB -0.248 41.755 42.059 -0.093 0.000 0.896 240 L HN 0.299 nan 8.230 nan 0.000 0.432 241 S N -0.635 114.964 115.700 -0.168 0.000 2.428 241 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 241 S C 2.060 176.502 174.600 -0.262 0.000 1.014 241 S CA 0.678 58.773 58.200 -0.176 0.000 0.957 241 S CB -0.758 62.353 63.200 -0.149 0.000 0.784 241 S HN 0.413 nan 8.310 nan 0.000 0.499 242 G N 2.002 110.527 108.800 -0.458 0.000 2.422 242 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 242 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 242 G C 1.368 175.934 174.900 -0.557 0.000 1.146 242 G CA 0.914 45.491 45.100 -0.872 0.000 0.769 242 G HN 0.574 nan 8.290 nan 0.000 0.547 243 I N -0.160 120.212 120.570 -0.330 0.000 2.353 243 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 243 I C 2.466 178.547 176.117 -0.061 0.000 1.119 243 I CA 0.267 61.526 61.300 -0.067 0.000 1.417 243 I CB -0.108 37.891 38.000 -0.002 0.000 1.078 243 I HN 0.121 nan 8.210 nan 0.000 0.421 244 L N 1.134 122.300 121.223 -0.095 0.000 2.131 244 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 244 L C 2.485 179.316 176.870 -0.065 0.000 1.092 244 L CA 1.885 56.683 54.840 -0.070 0.000 0.759 244 L CB -0.597 41.415 42.059 -0.078 0.000 0.903 244 L HN 0.194 nan 8.230 nan 0.000 0.435 245 A N -1.050 121.717 122.820 -0.088 0.000 2.014 245 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 245 A C 2.255 179.820 177.584 -0.032 0.000 1.163 245 A CA 1.248 53.243 52.037 -0.069 0.000 0.652 245 A CB -1.154 17.788 19.000 -0.096 0.000 0.808 245 A HN 0.499 nan 8.150 nan 0.000 0.449 246 G N 0.578 109.371 108.800 -0.012 0.000 2.417 246 G HA2 0.173 4.133 3.960 -0.000 0.000 0.212 246 G HA3 0.173 4.133 3.960 -0.000 0.000 0.212 246 G C 0.890 175.799 174.900 0.015 0.000 1.187 246 G CA 0.548 45.663 45.100 0.024 0.000 0.804 246 G HN 0.738 nan 8.290 nan 0.000 0.534 247 I N 0.306 120.879 120.570 0.005 0.000 2.813 247 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 247 I C -2.377 173.740 176.117 -0.001 0.000 1.196 247 I CA -1.754 59.548 61.300 0.003 0.000 1.421 247 I CB 0.123 38.123 38.000 -0.001 0.000 1.365 247 I HN -0.112 nan 8.210 nan 0.000 0.591 248 P HA 0.070 nan 4.420 nan 0.000 0.265 248 P C -1.921 175.375 177.300 -0.006 0.000 1.187 248 P CA -0.916 62.183 63.100 -0.001 0.000 0.766 248 P CB -0.146 31.555 31.700 0.002 0.000 0.820 249 P HA -0.215 nan 4.420 nan 0.000 0.218 249 P C 0.762 178.055 177.300 -0.011 0.000 1.146 249 P CA 1.600 64.693 63.100 -0.012 0.000 0.820 249 P CB -0.086 31.607 31.700 -0.012 0.000 0.778 250 E N -1.156 119.039 120.200 -0.008 0.000 2.445 250 E HA 0.118 4.468 4.350 -0.000 0.000 0.189 250 E C 0.729 177.325 176.600 -0.007 0.000 1.069 250 E CA 0.196 56.592 56.400 -0.007 0.000 0.871 250 E CB -0.282 29.416 29.700 -0.004 0.000 0.991 250 E HN 0.346 nan 8.360 nan 0.000 0.481 251 M N 1.663 121.258 119.600 -0.008 0.000 2.619 251 M HA 0.261 4.741 4.480 -0.000 0.000 0.297 251 M C -0.983 175.310 176.300 -0.012 0.000 1.229 251 M CA -0.893 54.402 55.300 -0.008 0.000 0.860 251 M CB 2.285 34.882 32.600 -0.005 0.000 1.741 251 M HN -0.060 nan 8.290 nan 0.000 0.462 252 D N 0.784 121.176 120.400 -0.013 0.000 2.585 252 D HA 0.353 4.993 4.640 -0.000 0.000 0.254 252 D C 0.408 176.698 176.300 -0.017 0.000 1.067 252 D CA -0.672 53.317 54.000 -0.018 0.000 1.090 252 D CB 0.836 41.625 40.800 -0.018 0.000 1.408 252 D HN 0.574 nan 8.370 nan 0.000 0.554 253 L N 0.041 121.251 121.223 -0.022 0.000 2.127 253 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 253 L C 2.565 179.426 176.870 -0.015 0.000 1.089 253 L CA 1.423 56.250 54.840 -0.021 0.000 0.757 253 L CB -0.534 41.507 42.059 -0.030 0.000 0.899 253 L HN 0.455 nan 8.230 nan 0.000 0.434 254 S N 0.308 116.000 115.700 -0.014 0.000 2.359 254 S HA -0.243 4.227 4.470 -0.000 0.000 0.223 254 S C 1.318 175.915 174.600 -0.005 0.000 1.039 254 S CA 1.534 59.728 58.200 -0.010 0.000 1.042 254 S CB -0.228 62.966 63.200 -0.010 0.000 0.915 254 S HN 0.626 nan 8.310 nan 0.000 0.439 255 Q N 0.754 120.551 119.800 -0.005 0.000 3.207 255 Q HA 0.658 4.998 4.340 -0.000 0.000 0.335 255 Q C -0.598 175.402 176.000 0.001 0.000 1.374 255 Q CA -0.383 55.419 55.803 -0.001 0.000 1.023 255 Q CB 0.174 28.912 28.738 -0.000 0.000 1.576 255 Q HN 0.386 nan 8.270 nan 0.000 0.515 256 A N 1.549 124.369 122.820 0.001 0.000 2.488 256 A HA 0.418 4.738 4.320 -0.000 0.000 0.295 256 A C -1.423 176.164 177.584 0.005 0.000 1.045 256 A CA -0.747 51.292 52.037 0.003 0.000 0.703 256 A CB 1.952 20.953 19.000 0.001 0.000 1.271 256 A HN 0.411 nan 8.150 nan 0.000 0.400 257 Q N 1.703 121.506 119.800 0.006 0.000 2.261 257 Q HA 0.524 4.864 4.340 -0.000 0.000 0.252 257 Q C -0.684 175.318 176.000 0.002 0.000 0.915 257 Q CA -0.215 55.592 55.803 0.007 0.000 0.915 257 Q CB 0.669 29.412 28.738 0.008 0.000 1.204 257 Q HN 0.597 nan 8.270 nan 0.000 0.421 258 I N 6.800 127.378 120.570 0.013 0.000 2.337 258 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 258 I C -1.929 174.194 176.117 0.010 0.000 1.046 258 I CA -2.161 59.151 61.300 0.021 0.000 1.324 258 I CB 0.579 38.607 38.000 0.047 0.000 1.409 258 I HN 0.621 nan 8.210 nan 0.000 0.494 259 P HA 0.089 nan 4.420 nan 0.000 0.266 259 P C 0.646 177.967 177.300 0.035 0.000 1.195 259 P CA 0.251 63.207 63.100 -0.240 0.000 0.768 259 P CB 0.678 31.796 31.700 -0.970 0.000 0.838 260 T N -1.265 113.353 114.554 0.107 0.000 3.250 260 T HA 0.147 4.497 4.350 -0.000 0.000 0.265 260 T C 0.383 175.234 174.700 0.251 0.000 0.973 260 T CA -0.284 62.001 62.100 0.308 0.000 1.040 260 T CB -0.201 68.857 68.868 0.316 0.000 1.167 260 T HN 0.133 nan 8.240 nan 0.000 0.471 261 K N 2.132 122.654 120.400 0.203 0.000 2.448 261 K HA 0.518 4.838 4.320 -0.000 0.000 0.278 261 K C 0.414 177.106 176.600 0.155 0.000 1.009 261 K CA 0.598 57.013 56.287 0.212 0.000 0.995 261 K CB 0.420 33.028 32.500 0.181 0.000 0.917 261 K HN 0.673 nan 8.250 nan 0.000 0.481 262 G N 1.617 110.438 108.800 0.035 0.000 2.341 262 G HA2 0.054 4.014 3.960 -0.000 0.000 0.293 262 G HA3 0.054 4.014 3.960 -0.000 0.000 0.293 262 G C -1.731 172.865 174.900 -0.506 0.000 1.298 262 G CA -0.860 44.103 45.100 -0.230 0.000 0.868 262 G HN 0.534 nan 8.290 nan 0.000 0.540 263 N N -0.502 117.571 118.700 -1.045 0.000 2.525 263 N HA 0.550 5.290 4.740 -0.000 0.000 0.270 263 N C -1.263 173.315 175.510 -1.554 0.000 1.321 263 N CA -0.556 51.779 53.050 -1.191 0.000 0.797 263 N CB 2.612 40.403 38.487 -1.160 0.000 1.529 263 N HN 0.686 nan 8.380 nan 0.000 0.491 264 Q N 0.627 119.823 119.800 -1.008 0.000 2.413 264 Q HA 0.505 4.845 4.340 -0.000 0.000 0.276 264 Q C -1.807 173.973 176.000 -0.366 0.000 1.099 264 Q CA -0.643 54.732 55.803 -0.712 0.000 0.814 264 Q CB 2.228 30.733 28.738 -0.387 0.000 1.379 264 Q HN 0.527 nan 8.270 nan 0.000 0.436 265 F N 2.917 122.667 119.950 -0.333 0.000 2.507 265 F HA 0.502 5.029 4.527 -0.000 0.000 0.328 265 F C -1.312 174.410 175.800 -0.130 0.000 1.136 265 F CA -0.706 57.184 58.000 -0.184 0.000 0.930 265 F CB 1.252 40.060 39.000 -0.321 0.000 1.166 265 F HN 0.433 nan 8.300 nan 0.000 0.436 266 R N 5.148 125.188 120.500 -0.765 0.000 2.338 266 R HA 0.738 5.078 4.340 -0.000 0.000 0.317 266 R C -0.644 174.967 176.300 -1.149 0.000 0.968 266 R CA -0.534 55.114 56.100 -0.753 0.000 0.849 266 R CB 1.267 31.354 30.300 -0.356 0.000 1.128 266 R HN 0.897 nan 8.270 nan 0.000 0.448 267 A N 3.185 125.424 122.820 -0.969 0.000 2.425 267 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 267 A C 1.215 178.684 177.584 -0.192 0.000 1.077 267 A CA 0.521 52.256 52.037 -0.504 0.000 0.781 267 A CB 0.535 19.500 19.000 -0.059 0.000 1.020 267 A HN 0.984 nan 8.150 nan 0.000 0.494 268 A N 0.990 123.833 122.820 0.038 0.000 1.933 268 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 268 A C 0.566 178.248 177.584 0.163 0.000 1.175 268 A CA 1.624 53.723 52.037 0.103 0.000 0.628 268 A CB -0.243 18.859 19.000 0.170 0.000 0.814 268 A HN 1.224 nan 8.150 nan 0.000 0.444 269 W N -3.485 117.767 121.300 -0.079 0.000 3.296 269 W HA 0.440 5.100 4.660 -0.000 0.000 0.314 269 W C 0.505 176.793 176.519 -0.387 0.000 1.238 269 W CA 0.191 57.443 57.345 -0.155 0.000 1.193 269 W CB 0.889 30.309 29.460 -0.066 0.000 1.383 269 W HN 0.799 nan 8.180 nan 0.000 0.545 270 G N 1.495 109.310 108.800 -1.642 0.000 2.201 270 G HA2 0.167 4.127 3.960 -0.000 0.000 0.212 270 G HA3 0.167 4.127 3.960 -0.000 0.000 0.212 270 G C 1.030 174.634 174.900 -2.160 0.000 0.994 270 G CA 0.675 44.328 45.100 -2.411 0.000 0.644 270 G HN 2.253 nan 8.290 nan 0.000 0.508 271 G N -0.334 107.681 108.800 -1.308 0.000 2.148 271 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 271 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 271 G C 0.310 174.921 174.900 -0.482 0.000 0.981 271 G CA 0.965 45.590 45.100 -0.793 0.000 0.670 271 G HN 1.380 nan 8.290 nan 0.000 0.528 272 H N 0.288 119.229 119.070 -0.215 0.000 2.603 272 H HA 0.613 5.169 4.556 -0.000 0.000 0.370 272 H C 0.817 176.095 175.328 -0.084 0.000 1.225 272 H CA 0.590 56.611 56.048 -0.046 0.000 1.410 272 H CB 1.353 31.135 29.762 0.033 0.000 1.495 272 H HN 0.889 nan 8.280 nan 0.000 0.602 273 G N -0.873 108.021 108.800 0.157 0.000 2.632 273 G HA2 0.409 4.369 3.960 -0.000 0.000 0.292 273 G HA3 0.409 4.369 3.960 -0.000 0.000 0.292 273 G C -1.371 173.636 174.900 0.178 0.000 1.465 273 G CA -0.379 44.771 45.100 0.083 0.000 0.824 273 G HN 0.647 nan 8.290 nan 0.000 0.509 274 S N -1.407 114.393 115.700 0.167 0.000 2.570 274 S HA 0.899 5.369 4.470 -0.000 0.000 0.270 274 S C -0.368 174.144 174.600 -0.147 0.000 1.149 274 S CA 0.188 58.406 58.200 0.029 0.000 0.837 274 S CB 1.795 65.034 63.200 0.065 0.000 1.124 274 S HN 1.989 nan 8.310 nan 0.000 0.465 275 G N 1.458 109.878 108.800 -0.634 0.000 2.667 275 G HA2 0.727 4.687 3.960 -0.000 0.000 0.298 275 G HA3 0.727 4.687 3.960 -0.000 0.000 0.298 275 G C -1.725 172.897 174.900 -0.462 0.000 1.377 275 G CA -0.634 44.028 45.100 -0.730 0.000 0.964 275 G HN 0.958 nan 8.290 nan 0.000 0.493 276 W N 0.673 121.661 121.300 -0.521 0.000 3.213 276 W HA 0.714 5.374 4.660 -0.000 0.000 0.318 276 W C -1.853 174.428 176.519 -0.395 0.000 1.248 276 W CA -2.021 55.074 57.345 -0.417 0.000 1.187 276 W CB 0.931 30.239 29.460 -0.254 0.000 1.403 276 W HN 0.518 nan 8.180 nan 0.000 0.556 277 Y N 1.555 121.887 120.300 0.054 0.000 2.299 277 Y HA 0.517 5.067 4.550 -0.000 0.000 0.326 277 Y C 0.304 176.314 175.900 0.183 0.000 1.164 277 Y CA -1.111 56.997 58.100 0.014 0.000 1.234 277 Y CB 1.505 39.990 38.460 0.041 0.000 1.219 277 Y HN 0.190 nan 8.280 nan 0.000 0.497 278 V N 3.467 123.581 119.914 0.333 0.000 2.417 278 V HA 0.138 4.258 4.120 -0.000 0.000 0.291 278 V C -0.541 175.715 176.094 0.269 0.000 1.024 278 V CA -1.077 61.438 62.300 0.359 0.000 0.861 278 V CB 1.260 33.321 31.823 0.396 0.000 0.985 278 V HN 0.906 nan 8.190 nan 0.000 0.436 279 D N 3.585 124.135 120.400 0.249 0.000 2.705 279 D HA -0.172 4.468 4.640 -0.000 0.000 0.240 279 D C 0.198 176.584 176.300 0.143 0.000 1.137 279 D CA 0.896 55.004 54.000 0.181 0.000 0.677 279 D CB -0.402 40.492 40.800 0.157 0.000 1.049 279 D HN 0.829 nan 8.370 nan 0.000 0.427 280 E N -0.607 119.682 120.200 0.150 0.000 3.935 280 E HA 0.248 4.598 4.350 -0.000 0.000 0.226 280 E C -1.966 174.686 176.600 0.087 0.000 1.220 280 E CA -1.260 55.188 56.400 0.080 0.000 1.226 280 E CB 0.927 30.629 29.700 0.004 0.000 1.237 280 E HN -0.014 nan 8.360 nan 0.000 0.417 281 P HA 0.012 nan 4.420 nan 0.000 0.226 281 P C 1.280 178.622 177.300 0.070 0.000 1.153 281 P CA 0.612 63.773 63.100 0.101 0.000 0.777 281 P CB 0.432 32.192 31.700 0.100 0.000 0.794 282 G N 0.332 109.159 108.800 0.045 0.000 2.471 282 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 282 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 282 G C 1.655 176.572 174.900 0.029 0.000 1.125 282 G CA 1.019 46.136 45.100 0.029 0.000 0.775 282 G HN 0.423 nan 8.290 nan 0.000 0.548 283 S N 0.249 115.968 115.700 0.032 0.000 2.377 283 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 283 S C 2.236 176.908 174.600 0.120 0.000 1.030 283 S CA 1.001 59.242 58.200 0.068 0.000 0.970 283 S CB -0.336 62.893 63.200 0.049 0.000 0.830 283 S HN 0.143 nan 8.310 nan 0.000 0.473 284 L N 1.043 122.341 121.223 0.126 0.000 2.093 284 L HA 0.218 4.558 4.340 -0.000 0.000 0.208 284 L C 2.266 179.147 176.870 0.019 0.000 1.085 284 L CA 1.311 56.223 54.840 0.120 0.000 0.755 284 L CB -0.931 41.177 42.059 0.082 0.000 0.904 284 L HN 0.421 nan 8.230 nan 0.000 0.435 285 L N -0.353 120.880 121.223 0.016 0.000 2.083 285 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 285 L C 2.406 179.255 176.870 -0.036 0.000 1.083 285 L CA 1.978 56.808 54.840 -0.017 0.000 0.752 285 L CB -0.757 41.307 42.059 0.009 0.000 0.899 285 L HN 0.265 nan 8.230 nan 0.000 0.433 286 A N -1.852 120.967 122.820 -0.002 0.000 2.014 286 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 286 A C 2.054 179.638 177.584 -0.000 0.000 1.163 286 A CA 1.557 53.603 52.037 0.016 0.000 0.652 286 A CB -0.481 18.551 19.000 0.054 0.000 0.808 286 A HN 0.307 nan 8.150 nan 0.000 0.449 287 V N -1.349 118.514 119.914 -0.085 0.000 2.581 287 V HA 0.003 4.123 4.120 -0.000 0.000 0.240 287 V C 2.256 178.142 176.094 -0.347 0.000 1.054 287 V CA 1.252 63.397 62.300 -0.259 0.000 1.076 287 V CB -0.276 31.195 31.823 -0.587 0.000 0.748 287 V HN 0.419 nan 8.190 nan 0.000 0.474 288 M N -0.637 118.735 119.600 -0.379 0.000 2.514 288 M HA 0.395 4.875 4.480 -0.000 0.000 0.258 288 M C 1.043 176.817 176.300 -0.877 0.000 1.159 288 M CA 1.136 56.084 55.300 -0.586 0.000 1.116 288 M CB 0.129 32.543 32.600 -0.310 0.000 1.333 288 M HN 0.530 nan 8.290 nan 0.000 0.487 289 G N 0.701 109.213 108.800 -0.479 0.000 2.592 289 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.684 289 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.684 289 G C -2.584 172.228 174.900 -0.148 0.000 1.291 289 G CA -0.752 44.166 45.100 -0.303 0.000 0.891 289 G HN 0.035 nan 8.290 nan 0.000 0.544 290 P HA -0.012 nan 4.420 nan 0.000 0.215 290 P C 1.833 179.133 177.300 0.000 0.000 1.157 290 P CA 1.908 65.000 63.100 -0.014 0.000 0.863 290 P CB 0.001 31.704 31.700 0.006 0.000 0.787 291 K N -0.672 119.720 120.400 -0.013 0.000 2.057 291 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 291 K C 1.984 178.602 176.600 0.029 0.000 1.050 291 K CA 1.092 57.388 56.287 0.015 0.000 0.935 291 K CB -0.790 31.713 32.500 0.005 0.000 0.715 291 K HN -0.017 nan 8.250 nan 0.000 0.439 292 V N 1.313 121.182 119.914 -0.074 0.000 2.358 292 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 292 V C 2.085 178.253 176.094 0.123 0.000 1.047 292 V CA 1.997 64.243 62.300 -0.089 0.000 1.035 292 V CB -0.585 30.978 31.823 -0.434 0.000 0.658 292 V HN 0.381 nan 8.190 nan 0.000 0.452 293 T N -0.843 113.749 114.554 0.064 0.000 2.720 293 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 293 T C 1.978 176.794 174.700 0.194 0.000 1.037 293 T CA 1.329 63.509 62.100 0.134 0.000 1.144 293 T CB -0.261 68.649 68.868 0.069 0.000 0.864 293 T HN 0.358 nan 8.240 nan 0.000 0.444 294 Q N -0.042 119.851 119.800 0.154 0.000 2.096 294 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 294 Q C 2.063 178.185 176.000 0.202 0.000 0.982 294 Q CA 1.485 57.378 55.803 0.151 0.000 0.850 294 Q CB -0.466 28.343 28.738 0.119 0.000 0.901 294 Q HN 0.689 nan 8.270 nan 0.000 0.422 295 Y N -0.814 119.568 120.300 0.138 0.000 2.333 295 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 295 Y C 1.926 177.961 175.900 0.225 0.000 1.144 295 Y CA 1.272 59.475 58.100 0.171 0.000 1.228 295 Y CB -0.117 38.469 38.460 0.210 0.000 0.985 295 Y HN 0.237 nan 8.280 nan 0.000 0.542 296 W N 0.339 121.708 121.300 0.115 0.000 2.588 296 W HA -0.086 4.574 4.660 0.000 0.000 0.277 296 W C 1.906 178.427 176.519 0.004 0.000 1.221 296 W CA 1.935 59.317 57.345 0.063 0.000 1.355 296 W CB -0.116 29.434 29.460 0.150 0.000 1.083 296 W HN 0.235 nan 8.180 nan 0.000 0.581 297 T N -2.031 112.638 114.554 0.192 0.000 3.082 297 T HA 0.034 4.384 4.350 -0.000 0.000 0.235 297 T C 0.547 175.256 174.700 0.016 0.000 0.991 297 T CA 0.230 62.391 62.100 0.100 0.000 1.220 297 T CB 0.012 68.975 68.868 0.157 0.000 0.909 297 T HN -0.170 nan 8.240 nan 0.000 0.424 298 E N 0.554 120.775 120.200 0.035 0.000 2.280 298 E HA 0.530 4.880 4.350 -0.000 0.000 0.261 298 E C 0.336 176.922 176.600 -0.023 0.000 1.088 298 E CA 0.787 57.192 56.400 0.009 0.000 0.915 298 E CB 0.866 30.585 29.700 0.033 0.000 1.141 298 E HN 0.899 nan 8.360 nan 0.000 0.433 299 G N 1.686 110.469 108.800 -0.028 0.000 2.661 299 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.685 299 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.685 299 G C -2.135 172.719 174.900 -0.076 0.000 1.298 299 G CA -0.487 44.590 45.100 -0.038 0.000 0.855 299 G HN 0.506 nan 8.290 nan 0.000 0.560 300 P HA 0.082 nan 4.420 nan 0.000 0.217 300 P C 2.195 179.421 177.300 -0.124 0.000 1.151 300 P CA 2.641 65.696 63.100 -0.075 0.000 0.828 300 P CB -0.001 31.674 31.700 -0.042 0.000 0.788 301 A N 0.127 122.847 122.820 -0.168 0.000 1.930 301 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 301 A C 2.306 179.667 177.584 -0.371 0.000 1.175 301 A CA 1.925 53.798 52.037 -0.273 0.000 0.627 301 A CB -1.522 17.238 19.000 -0.400 0.000 0.815 301 A HN 0.196 nan 8.150 nan 0.000 0.443 302 A N -0.292 122.307 122.820 -0.368 0.000 1.929 302 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 302 A C 1.902 179.327 177.584 -0.266 0.000 1.176 302 A CA 1.503 53.324 52.037 -0.359 0.000 0.628 302 A CB -0.406 18.428 19.000 -0.277 0.000 0.816 302 A HN 0.609 nan 8.150 nan 0.000 0.444 303 E N -0.733 119.353 120.200 -0.190 0.000 2.072 303 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 303 E C 1.884 178.393 176.600 -0.151 0.000 0.985 303 E CA 1.090 57.403 56.400 -0.145 0.000 0.801 303 E CB -0.202 29.437 29.700 -0.102 0.000 0.750 303 E HN 0.490 nan 8.360 nan 0.000 0.452 304 L N 0.715 121.844 121.223 -0.158 0.000 2.131 304 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 304 L C 2.079 178.836 176.870 -0.189 0.000 1.092 304 L CA 1.659 56.408 54.840 -0.151 0.000 0.759 304 L CB -0.352 41.629 42.059 -0.131 0.000 0.903 304 L HN 0.036 nan 8.230 nan 0.000 0.435 305 A N -0.948 121.731 122.820 -0.235 0.000 1.873 305 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 305 A C 2.327 179.757 177.584 -0.255 0.000 1.186 305 A CA 1.632 53.506 52.037 -0.272 0.000 0.616 305 A CB -0.668 18.110 19.000 -0.372 0.000 0.823 305 A HN 0.540 nan 8.150 nan 0.000 0.442 306 E N -0.352 119.708 120.200 -0.234 0.000 2.204 306 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 306 E C 2.102 178.606 176.600 -0.160 0.000 0.989 306 E CA 1.338 57.623 56.400 -0.192 0.000 0.824 306 E CB -0.030 29.573 29.700 -0.161 0.000 0.756 306 E HN 0.876 nan 8.360 nan 0.000 0.477 307 Q N -0.493 119.213 119.800 -0.157 0.000 2.331 307 Q HA 0.003 4.343 4.340 -0.000 0.000 0.203 307 Q C 1.808 177.661 176.000 -0.244 0.000 0.944 307 Q CA 0.630 56.356 55.803 -0.129 0.000 0.892 307 Q CB 0.052 28.738 28.738 -0.087 0.000 0.983 307 Q HN 0.026 nan 8.270 nan 0.000 0.482 308 R N -0.054 120.252 120.500 -0.324 0.000 2.119 308 R HA 0.179 4.519 4.340 -0.000 0.000 0.222 308 R C 1.421 177.400 176.300 -0.536 0.000 1.088 308 R CA 0.934 56.723 56.100 -0.518 0.000 0.984 308 R CB 0.095 30.196 30.300 -0.332 0.000 0.884 308 R HN 0.274 nan 8.270 nan 0.000 0.447 309 L N -0.877 120.159 121.223 -0.313 0.000 2.640 309 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 309 L C 1.901 178.686 176.870 -0.141 0.000 1.123 309 L CA -0.102 54.607 54.840 -0.219 0.000 0.900 309 L CB 0.590 42.522 42.059 -0.211 0.000 1.146 309 L HN 0.224 nan 8.230 nan 0.000 0.484 310 G N -1.326 107.412 108.800 -0.104 0.000 2.598 310 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 310 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 310 G C 1.119 176.074 174.900 0.091 0.000 1.131 310 G CA 0.221 45.309 45.100 -0.019 0.000 0.785 310 G HN 0.333 nan 8.290 nan 0.000 0.539 311 H N 0.918 119.934 119.070 -0.091 0.000 2.387 311 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 311 H C 2.876 178.155 175.328 -0.082 0.000 1.090 311 H CA 1.667 57.667 56.048 -0.079 0.000 1.332 311 H CB -0.489 29.227 29.762 -0.076 0.000 1.386 311 H HN 0.475 nan 8.280 nan 0.000 0.516 312 T N -3.515 111.054 114.554 0.025 0.000 3.065 312 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 312 T C 1.298 175.955 174.700 -0.073 0.000 1.099 312 T CA 0.406 62.475 62.100 -0.051 0.000 1.063 312 T CB -0.117 68.677 68.868 -0.122 0.000 0.948 312 T HN 0.552 nan 8.240 nan 0.000 0.506 313 G N 1.351 110.111 108.800 -0.066 0.000 2.531 313 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.283 313 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.283 313 G C -0.561 174.258 174.900 -0.135 0.000 1.068 313 G CA 0.042 45.091 45.100 -0.084 0.000 1.273 313 G HN 0.717 nan 8.290 nan 0.000 0.532 314 M N 2.526 122.036 119.600 -0.150 0.000 2.322 314 M HA 0.492 4.972 4.480 -0.000 0.000 0.285 314 M C -2.521 173.694 176.300 -0.143 0.000 1.119 314 M CA -1.834 53.356 55.300 -0.182 0.000 0.953 314 M CB 2.942 35.429 32.600 -0.189 0.000 1.701 314 M HN 0.027 nan 8.290 nan 0.000 0.479 315 P HA 0.127 nan 4.420 nan 0.000 0.238 315 P C 0.688 177.989 177.300 0.001 0.000 1.794 315 P CA -0.293 62.774 63.100 -0.056 0.000 1.088 315 P CB -0.213 31.468 31.700 -0.032 0.000 1.923 316 V N 1.033 120.901 119.914 -0.077 0.000 2.913 316 V HA -0.113 4.007 4.120 -0.000 0.000 0.260 316 V C 1.902 177.926 176.094 -0.117 0.000 1.098 316 V CA 0.911 63.151 62.300 -0.101 0.000 1.121 316 V CB -1.195 30.493 31.823 -0.224 0.000 0.714 316 V HN 0.193 nan 8.190 nan 0.000 0.487 317 R N 0.425 120.854 120.500 -0.119 0.000 2.276 317 R HA 0.139 4.479 4.340 -0.000 0.000 0.203 317 R C 2.025 178.388 176.300 0.106 0.000 1.017 317 R CA 0.866 56.912 56.100 -0.089 0.000 1.010 317 R CB -0.143 30.102 30.300 -0.092 0.000 0.900 317 R HN 0.511 nan 8.270 nan 0.000 0.469 318 R N 0.319 120.908 120.500 0.149 0.000 2.437 318 R HA 0.210 4.550 4.340 -0.000 0.000 0.257 318 R C 0.295 176.782 176.300 0.312 0.000 0.927 318 R CA -0.027 56.205 56.100 0.219 0.000 1.078 318 R CB 0.572 30.985 30.300 0.188 0.000 1.161 318 R HN 0.114 nan 8.270 nan 0.000 0.529 319 M N 0.821 120.621 119.600 0.333 0.000 2.101 319 M HA 0.479 4.959 4.480 -0.000 0.000 0.340 319 M C -0.360 176.173 176.300 0.389 0.000 1.057 319 M CA -0.861 54.655 55.300 0.361 0.000 0.984 319 M CB 1.536 34.228 32.600 0.153 0.000 1.560 319 M HN -0.214 nan 8.290 nan 0.000 0.435 320 V N 0.240 120.342 119.914 0.312 0.000 3.155 320 V HA 0.975 5.095 4.120 -0.000 0.000 0.313 320 V C 0.636 176.782 176.094 0.086 0.000 1.162 320 V CA 0.001 62.383 62.300 0.137 0.000 1.048 320 V CB 1.131 33.041 31.823 0.145 0.000 1.092 320 V HN 1.164 nan 8.190 nan 0.000 0.447 321 G N 0.334 109.053 108.800 -0.134 0.000 2.283 321 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.280 321 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.280 321 G C 0.196 174.950 174.900 -0.245 0.000 1.029 321 G CA 0.947 45.953 45.100 -0.155 0.000 0.840 321 G HN 1.250 nan 8.290 nan 0.000 0.505 322 Q N 0.113 119.735 119.800 -0.298 0.000 2.337 322 Q HA 0.431 4.771 4.340 -0.000 0.000 0.270 322 Q C 0.659 176.596 176.000 -0.106 0.000 1.002 322 Q CA -0.040 55.676 55.803 -0.145 0.000 0.888 322 Q CB 0.286 29.001 28.738 -0.039 0.000 1.222 322 Q HN 0.854 nan 8.270 nan 0.000 0.400 323 H N 2.013 121.087 119.070 0.008 0.000 2.679 323 H HA 0.748 5.304 4.556 0.000 0.000 0.367 323 H C -1.069 174.330 175.328 0.118 0.000 1.162 323 H CA -1.103 54.994 56.048 0.082 0.000 1.181 323 H CB 1.453 31.239 29.762 0.040 0.000 1.693 323 H HN 0.603 nan 8.280 nan 0.000 0.538 324 M N 1.791 121.519 119.600 0.213 0.000 2.414 324 M HA 0.422 4.902 4.480 -0.000 0.000 0.287 324 M C -1.824 174.382 176.300 -0.158 0.000 1.181 324 M CA -0.229 55.065 55.300 -0.010 0.000 0.933 324 M CB 2.532 35.048 32.600 -0.139 0.000 1.732 324 M HN 0.889 nan 8.290 nan 0.000 0.486 325 T N 4.617 119.161 114.554 -0.017 0.000 2.848 325 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 325 T C -0.794 173.971 174.700 0.108 0.000 0.995 325 T CA -0.553 61.566 62.100 0.033 0.000 0.970 325 T CB 1.291 70.299 68.868 0.234 0.000 0.976 325 T HN 0.420 nan 8.240 nan 0.000 0.441 326 I N 3.625 124.277 120.570 0.135 0.000 2.297 326 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 326 I C 0.173 176.592 176.117 0.503 0.000 1.033 326 I CA -1.021 60.488 61.300 0.348 0.000 1.253 326 I CB 0.183 38.350 38.000 0.278 0.000 1.396 326 I HN 0.652 nan 8.210 nan 0.000 0.476 327 F N 10.211 130.459 119.950 0.496 0.000 2.607 327 F HA 0.143 4.670 4.527 -0.000 0.000 0.374 327 F C -1.419 174.616 175.800 0.392 0.000 1.104 327 F CA -0.589 57.589 58.000 0.296 0.000 1.296 327 F CB 0.695 39.712 39.000 0.028 0.000 1.085 327 F HN 0.375 nan 8.300 nan 0.000 0.584 328 P HA 0.032 nan 4.420 nan 0.000 0.216 328 P C -0.184 177.003 177.300 -0.188 0.000 1.151 328 P CA 0.987 63.456 63.100 -1.052 0.000 0.863 328 P CB 0.132 30.900 31.700 -1.553 0.000 0.790 329 T N -2.899 111.629 114.554 -0.043 0.000 3.327 329 T HA 0.499 4.849 4.350 -0.000 0.000 0.373 329 T C -0.702 174.064 174.700 0.110 0.000 1.589 329 T CA -0.728 61.494 62.100 0.204 0.000 1.497 329 T CB -1.042 67.925 68.868 0.164 0.000 1.032 329 T HN 0.127 nan 8.240 nan 0.000 0.640 330 C N 2.711 122.106 119.300 0.158 0.000 3.171 330 C HA 0.679 5.139 4.460 -0.000 0.000 0.336 330 C C -0.591 174.418 174.990 0.032 0.000 1.035 330 C CA -0.239 58.842 59.018 0.105 0.000 1.361 330 C CB -0.648 27.299 27.740 0.345 0.000 1.804 330 C HN 0.826 nan 8.230 nan 0.000 0.535 331 S N 4.023 119.632 115.700 -0.151 0.000 2.501 331 S HA 0.967 5.437 4.470 -0.000 0.000 0.301 331 S C -0.816 173.648 174.600 -0.227 0.000 1.096 331 S CA -0.380 57.683 58.200 -0.228 0.000 1.063 331 S CB 1.138 64.284 63.200 -0.090 0.000 1.042 331 S HN 0.803 nan 8.310 nan 0.000 0.494 332 F N -0.496 119.481 119.950 0.046 0.000 2.631 332 F HA 0.632 5.159 4.527 -0.000 0.000 0.308 332 F C -1.559 174.345 175.800 0.174 0.000 1.097 332 F CA -1.429 56.586 58.000 0.025 0.000 0.952 332 F CB 0.784 39.770 39.000 -0.024 0.000 1.307 332 F HN 0.240 nan 8.300 nan 0.000 0.450 333 L N 3.166 124.580 121.223 0.318 0.000 2.314 333 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 333 L C -1.917 174.982 176.870 0.048 0.000 1.068 333 L CA -1.554 53.375 54.840 0.148 0.000 0.894 333 L CB 1.097 43.192 42.059 0.060 0.000 1.275 333 L HN 0.428 nan 8.230 nan 0.000 0.432 334 P HA -0.150 nan 4.420 nan 0.000 0.216 334 P C 1.343 178.598 177.300 -0.075 0.000 1.153 334 P CA 1.342 64.503 63.100 0.101 0.000 0.858 334 P CB 0.173 31.988 31.700 0.192 0.000 0.789 335 T N -1.819 112.491 114.554 -0.407 0.000 2.904 335 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 335 T C 1.276 175.672 174.700 -0.506 0.000 1.059 335 T CA 1.061 62.625 62.100 -0.893 0.000 1.137 335 T CB -0.839 67.407 68.868 -1.036 0.000 0.879 335 T HN 0.174 nan 8.240 nan 0.000 0.467 336 F N 0.956 120.848 119.950 -0.097 0.000 2.776 336 F HA 0.275 4.802 4.527 -0.000 0.000 0.300 336 F C 0.762 176.669 175.800 0.179 0.000 1.116 336 F CA -0.713 57.332 58.000 0.075 0.000 1.375 336 F CB -0.329 38.697 39.000 0.044 0.000 1.109 336 F HN 0.002 nan 8.300 nan 0.000 0.585 337 N N 0.956 119.757 118.700 0.168 0.000 2.741 337 N HA -0.257 4.483 4.740 -0.000 0.000 0.250 337 N C -0.521 175.005 175.510 0.026 0.000 1.115 337 N CA 0.442 53.509 53.050 0.027 0.000 0.724 337 N CB -1.790 36.583 38.487 -0.189 0.000 1.090 337 N HN 0.387 nan 8.380 nan 0.000 0.558 338 N N 0.830 119.568 118.700 0.063 0.000 2.456 338 N HA 0.361 5.101 4.740 -0.000 0.000 0.288 338 N C -0.755 174.703 175.510 -0.086 0.000 1.059 338 N CA -0.140 52.911 53.050 0.002 0.000 0.946 338 N CB 0.716 39.211 38.487 0.013 0.000 1.150 338 N HN 0.041 nan 8.380 nan 0.000 0.479 339 I N 2.862 123.248 120.570 -0.306 0.000 2.545 339 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 339 I C -0.128 175.708 176.117 -0.468 0.000 1.040 339 I CA -0.726 60.303 61.300 -0.452 0.000 1.068 339 I CB 1.757 39.143 38.000 -1.023 0.000 1.251 339 I HN 0.576 nan 8.210 nan 0.000 0.424 340 R N 4.629 124.871 120.500 -0.430 0.000 2.626 340 R HA 0.810 5.150 4.340 -0.000 0.000 0.274 340 R C -1.830 174.005 176.300 -0.776 0.000 1.031 340 R CA -0.862 54.884 56.100 -0.590 0.000 0.898 340 R CB 2.034 31.828 30.300 -0.843 0.000 1.222 340 R HN 0.352 nan 8.270 nan 0.000 0.455 341 I N 1.458 121.626 120.570 -0.671 0.000 2.378 341 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 341 I C -0.862 174.738 176.117 -0.863 0.000 0.992 341 I CA -0.443 60.425 61.300 -0.720 0.000 1.154 341 I CB 1.213 38.904 38.000 -0.514 0.000 1.315 341 I HN 0.524 nan 8.210 nan 0.000 0.448 342 W N 5.270 126.364 121.300 -0.343 0.000 2.357 342 W HA 0.374 5.034 4.660 -0.000 0.000 0.317 342 W C 0.019 176.313 176.519 -0.375 0.000 1.101 342 W CA -0.588 56.592 57.345 -0.274 0.000 1.380 342 W CB 0.008 29.427 29.460 -0.067 0.000 1.266 342 W HN 0.340 nan 8.180 nan 0.000 0.419 343 H N 4.631 123.634 119.070 -0.111 0.000 2.723 343 H HA 0.173 4.729 4.556 0.000 0.000 0.294 343 H C -1.975 173.240 175.328 -0.188 0.000 1.079 343 H CA -2.264 53.616 56.048 -0.280 0.000 1.411 343 H CB 0.536 29.969 29.762 -0.548 0.000 1.439 343 H HN 0.103 nan 8.280 nan 0.000 0.474 344 P HA 0.126 nan 4.420 nan 0.000 0.275 344 P C 0.074 177.343 177.300 -0.052 0.000 1.227 344 P CA -0.447 62.607 63.100 -0.077 0.000 0.781 344 P CB 1.187 32.704 31.700 -0.305 0.000 0.906 345 R N 2.283 122.763 120.500 -0.032 0.000 2.653 345 R HA 0.488 4.828 4.340 -0.000 0.000 0.269 345 R C 0.543 176.718 176.300 -0.207 0.000 1.603 345 R CA -0.228 55.823 56.100 -0.082 0.000 1.671 345 R CB 0.446 30.709 30.300 -0.061 0.000 1.300 345 R HN 0.933 nan 8.270 nan 0.000 0.668 346 G N 2.388 110.857 108.800 -0.552 0.000 2.756 346 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.678 346 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.678 346 G C -1.946 172.397 174.900 -0.928 0.000 1.349 346 G CA -0.715 43.763 45.100 -1.036 0.000 0.847 346 G HN 0.149 nan 8.290 nan 0.000 0.548 347 P HA 0.003 nan 4.420 nan 0.000 0.225 347 P C 0.840 178.102 177.300 -0.063 0.000 1.156 347 P CA 1.043 64.033 63.100 -0.184 0.000 0.787 347 P CB 0.084 31.757 31.700 -0.044 0.000 0.802 348 N N -0.008 118.643 118.700 -0.080 0.000 2.251 348 N HA 0.102 4.842 4.740 -0.000 0.000 0.217 348 N C 0.150 175.672 175.510 0.019 0.000 1.124 348 N CA 0.264 53.313 53.050 -0.002 0.000 0.843 348 N CB 1.067 39.555 38.487 0.002 0.000 1.024 348 N HN 0.374 nan 8.380 nan 0.000 0.501 349 E N 0.596 120.802 120.200 0.009 0.000 2.388 349 E HA 0.380 4.730 4.350 -0.000 0.000 0.281 349 E C -1.592 175.047 176.600 0.064 0.000 1.046 349 E CA -0.590 55.836 56.400 0.045 0.000 0.825 349 E CB 1.839 31.552 29.700 0.021 0.000 1.243 349 E HN 0.078 nan 8.360 nan 0.000 0.438 350 I N -1.394 119.240 120.570 0.106 0.000 3.095 350 I HA 0.582 4.752 4.170 -0.000 0.000 0.310 350 I C -0.952 175.243 176.117 0.130 0.000 1.196 350 I CA -0.949 60.426 61.300 0.125 0.000 0.985 350 I CB 2.296 40.403 38.000 0.178 0.000 1.250 350 I HN 0.317 nan 8.210 nan 0.000 0.446 351 E N 2.238 122.513 120.200 0.124 0.000 2.171 351 E HA 0.541 4.891 4.350 -0.000 0.000 0.271 351 E C -1.334 175.347 176.600 0.136 0.000 0.916 351 E CA -0.941 55.565 56.400 0.177 0.000 0.774 351 E CB 2.872 32.740 29.700 0.281 0.000 1.128 351 E HN 0.411 nan 8.360 nan 0.000 0.403 352 V N 3.454 123.343 119.914 -0.041 0.000 2.350 352 V HA 0.224 4.344 4.120 -0.000 0.000 0.276 352 V C -0.979 175.018 176.094 -0.163 0.000 1.028 352 V CA -0.764 61.334 62.300 -0.337 0.000 0.860 352 V CB 0.165 31.400 31.823 -0.979 0.000 0.990 352 V HN 0.610 nan 8.190 nan 0.000 0.453 353 W N 3.731 124.796 121.300 -0.391 0.000 2.296 353 W HA 0.776 5.436 4.660 -0.000 0.000 0.316 353 W C 0.153 176.594 176.519 -0.130 0.000 1.022 353 W CA -1.026 56.228 57.345 -0.153 0.000 1.324 353 W CB 1.471 30.941 29.460 0.017 0.000 1.227 353 W HN 0.628 nan 8.180 nan 0.000 0.409 354 A N 5.000 127.930 122.820 0.182 0.000 2.350 354 A HA 0.967 5.287 4.320 -0.000 0.000 0.324 354 A C -1.230 176.562 177.584 0.346 0.000 1.118 354 A CA -0.497 51.653 52.037 0.189 0.000 0.783 354 A CB 0.975 20.146 19.000 0.285 0.000 1.236 354 A HN 0.569 nan 8.150 nan 0.000 0.457 355 F N -0.815 119.209 119.950 0.123 0.000 2.692 355 F HA 0.874 5.401 4.527 -0.000 0.000 0.320 355 F C -0.405 175.465 175.800 0.118 0.000 1.123 355 F CA -0.786 57.295 58.000 0.136 0.000 0.961 355 F CB 1.407 40.509 39.000 0.170 0.000 1.383 355 F HN 0.380 nan 8.300 nan 0.000 0.483 356 T N 2.303 116.986 114.554 0.217 0.000 2.887 356 T HA 0.673 5.023 4.350 -0.000 0.000 0.288 356 T C -0.772 173.967 174.700 0.065 0.000 1.021 356 T CA -0.626 61.518 62.100 0.073 0.000 1.000 356 T CB 1.739 70.684 68.868 0.129 0.000 1.034 356 T HN 0.574 nan 8.240 nan 0.000 0.467 357 L N 2.473 123.662 121.223 -0.056 0.000 2.330 357 L HA 0.914 5.254 4.340 -0.000 0.000 0.271 357 L C -0.376 176.376 176.870 -0.197 0.000 1.013 357 L CA -1.238 53.531 54.840 -0.118 0.000 0.816 357 L CB 1.796 43.778 42.059 -0.128 0.000 1.287 357 L HN 0.472 nan 8.230 nan 0.000 0.435 358 V N -2.834 116.966 119.914 -0.190 0.000 3.114 358 V HA 0.468 4.588 4.120 -0.000 0.000 0.308 358 V C -0.926 175.093 176.094 -0.125 0.000 1.168 358 V CA -1.092 61.074 62.300 -0.223 0.000 1.015 358 V CB 2.105 33.832 31.823 -0.159 0.000 1.050 358 V HN 0.592 nan 8.190 nan 0.000 0.433 359 D N 1.816 122.170 120.400 -0.076 0.000 2.425 359 D HA 0.301 4.941 4.640 -0.000 0.000 0.247 359 D C 1.170 177.468 176.300 -0.003 0.000 1.147 359 D CA 0.698 54.700 54.000 0.002 0.000 0.879 359 D CB 2.052 42.915 40.800 0.105 0.000 1.179 359 D HN 0.940 nan 8.370 nan 0.000 0.456 360 A N 2.948 125.767 122.820 -0.002 0.000 2.125 360 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 360 A C 1.095 178.685 177.584 0.010 0.000 1.156 360 A CA 1.064 53.099 52.037 -0.003 0.000 0.671 360 A CB -0.015 18.985 19.000 -0.001 0.000 0.794 360 A HN 0.562 nan 8.150 nan 0.000 0.459 361 D N -1.054 119.362 120.400 0.028 0.000 2.538 361 D HA 0.461 5.101 4.640 -0.000 0.000 0.231 361 D C 0.212 176.555 176.300 0.071 0.000 1.229 361 D CA 0.295 54.319 54.000 0.039 0.000 0.828 361 D CB -0.483 40.337 40.800 0.033 0.000 1.035 361 D HN 0.265 nan 8.370 nan 0.000 0.495 362 A N 1.064 123.925 122.820 0.068 0.000 2.316 362 A HA 0.590 4.910 4.320 -0.000 0.000 0.284 362 A C -2.355 175.250 177.584 0.036 0.000 1.115 362 A CA -1.240 50.843 52.037 0.077 0.000 0.812 362 A CB 0.137 19.125 19.000 -0.020 0.000 1.064 362 A HN 0.023 nan 8.150 nan 0.000 0.489 363 P HA 0.158 nan 4.420 nan 0.000 0.267 363 P C 0.823 178.129 177.300 0.010 0.000 1.200 363 P CA 0.617 63.737 63.100 0.034 0.000 0.772 363 P CB 0.717 32.449 31.700 0.054 0.000 0.855 364 A N 2.717 125.546 122.820 0.016 0.000 1.978 364 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 364 A C 2.097 179.690 177.584 0.016 0.000 1.170 364 A CA 1.794 53.840 52.037 0.014 0.000 0.636 364 A CB -1.110 17.899 19.000 0.015 0.000 0.810 364 A HN 0.685 nan 8.150 nan 0.000 0.448 365 E N -0.483 119.727 120.200 0.016 0.000 2.153 365 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 365 E C 1.625 178.228 176.600 0.006 0.000 0.988 365 E CA 1.215 57.624 56.400 0.016 0.000 0.811 365 E CB -0.054 29.659 29.700 0.022 0.000 0.746 365 E HN 0.565 nan 8.360 nan 0.000 0.466 366 I N 0.694 121.254 120.570 -0.017 0.000 2.494 366 I HA -0.124 4.046 4.170 -0.000 0.000 0.250 366 I C 2.104 178.253 176.117 0.053 0.000 1.112 366 I CA 0.952 62.216 61.300 -0.060 0.000 1.438 366 I CB -0.843 37.006 38.000 -0.251 0.000 1.111 366 I HN 0.060 nan 8.210 nan 0.000 0.431 367 K N 0.834 121.264 120.400 0.050 0.000 2.063 367 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 367 K C 2.019 178.686 176.600 0.113 0.000 1.048 367 K CA 1.760 58.102 56.287 0.093 0.000 0.928 367 K CB -0.113 32.406 32.500 0.032 0.000 0.713 367 K HN 0.124 nan 8.250 nan 0.000 0.442 368 E N 1.373 121.614 120.200 0.068 0.000 2.110 368 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 368 E C 1.773 178.417 176.600 0.074 0.000 0.988 368 E CA 1.466 57.902 56.400 0.059 0.000 0.804 368 E CB 0.026 29.746 29.700 0.033 0.000 0.745 368 E HN 0.181 nan 8.360 nan 0.000 0.458 369 E N -1.067 119.175 120.200 0.071 0.000 2.107 369 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 369 E C 1.598 178.260 176.600 0.103 0.000 0.982 369 E CA 1.105 57.553 56.400 0.081 0.000 0.809 369 E CB -0.341 29.355 29.700 -0.007 0.000 0.756 369 E HN 0.468 nan 8.360 nan 0.000 0.459 370 Y N 0.075 120.421 120.300 0.077 0.000 2.163 370 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 370 Y C 2.575 178.537 175.900 0.103 0.000 1.136 370 Y CA 1.732 59.886 58.100 0.090 0.000 1.147 370 Y CB -0.072 38.418 38.460 0.049 0.000 0.987 370 Y HN -0.027 nan 8.280 nan 0.000 0.509 371 R N 0.526 121.165 120.500 0.232 0.000 2.073 371 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 371 R C 2.279 178.637 176.300 0.096 0.000 1.134 371 R CA 1.532 57.720 56.100 0.147 0.000 0.952 371 R CB -0.135 30.225 30.300 0.099 0.000 0.850 371 R HN 0.291 nan 8.270 nan 0.000 0.433 372 R N -1.072 119.461 120.500 0.055 0.000 2.066 372 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 372 R C 2.113 178.343 176.300 -0.117 0.000 1.131 372 R CA 1.820 57.888 56.100 -0.054 0.000 0.955 372 R CB -0.384 29.844 30.300 -0.121 0.000 0.851 372 R HN 0.451 nan 8.270 nan 0.000 0.432 373 H N -0.229 118.826 119.070 -0.024 0.000 2.502 373 H HA 0.081 4.637 4.556 -0.000 0.000 0.283 373 H C 1.745 177.037 175.328 -0.061 0.000 1.015 373 H CA 0.775 56.778 56.048 -0.076 0.000 1.298 373 H CB 0.076 29.769 29.762 -0.115 0.000 1.411 373 H HN 0.225 nan 8.280 nan 0.000 0.556 374 N N 0.153 118.956 118.700 0.172 0.000 2.216 374 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 374 N C 1.546 177.143 175.510 0.145 0.000 1.017 374 N CA 1.005 54.204 53.050 0.249 0.000 0.861 374 N CB 0.177 38.840 38.487 0.292 0.000 0.986 374 N HN 0.326 nan 8.380 nan 0.000 0.428 375 I N 0.923 121.531 120.570 0.064 0.000 2.233 375 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 375 I C 2.654 178.734 176.117 -0.060 0.000 1.093 375 I CA 0.749 62.056 61.300 0.011 0.000 1.380 375 I CB -0.180 37.817 38.000 -0.006 0.000 1.067 375 I HN 0.041 nan 8.210 nan 0.000 0.413 376 R N 0.874 121.311 120.500 -0.105 0.000 2.120 376 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 376 R C 1.790 177.984 176.300 -0.177 0.000 1.123 376 R CA 1.575 57.587 56.100 -0.146 0.000 0.975 376 R CB 0.020 30.203 30.300 -0.195 0.000 0.866 376 R HN 0.434 nan 8.270 nan 0.000 0.446 377 N N -1.236 117.278 118.700 -0.310 0.000 2.545 377 N HA 0.005 4.745 4.740 -0.000 0.000 0.190 377 N C 0.178 175.325 175.510 -0.605 0.000 1.043 377 N CA 0.742 53.427 53.050 -0.608 0.000 0.879 377 N CB 0.424 38.081 38.487 -1.384 0.000 1.210 377 N HN 0.101 nan 8.380 nan 0.000 0.437 378 F N 0.943 120.934 119.950 0.067 0.000 2.764 378 F HA 0.329 4.856 4.527 -0.000 0.000 0.310 378 F C 1.007 176.880 175.800 0.122 0.000 1.124 378 F CA -0.912 57.171 58.000 0.139 0.000 1.252 378 F CB -0.133 38.975 39.000 0.180 0.000 1.010 378 F HN -0.186 nan 8.300 nan 0.000 0.518 379 S N 0.013 115.756 115.700 0.072 0.000 2.713 379 S HA 0.697 5.167 4.470 -0.000 0.000 0.277 379 S C 1.567 175.852 174.600 -0.526 0.000 1.168 379 S CA -0.104 58.009 58.200 -0.146 0.000 0.994 379 S CB 1.415 64.554 63.200 -0.103 0.000 1.054 379 S HN 0.125 nan 8.310 nan 0.000 0.555 380 A N 0.100 122.308 122.820 -1.020 0.000 2.076 380 A HA 0.182 4.502 4.320 -0.000 0.000 0.220 380 A C 1.766 179.041 177.584 -0.516 0.000 1.160 380 A CA 1.406 52.711 52.037 -1.221 0.000 0.653 380 A CB -1.415 16.903 19.000 -1.136 0.000 0.801 380 A HN 1.218 nan 8.150 nan 0.000 0.455 381 G N -0.716 107.889 108.800 -0.324 0.000 3.502 381 G HA2 0.429 4.389 3.960 -0.000 0.000 0.267 381 G HA3 0.429 4.389 3.960 -0.000 0.000 0.267 381 G C 0.606 175.422 174.900 -0.141 0.000 1.090 381 G CA 0.396 45.384 45.100 -0.187 0.000 0.795 381 G HN 0.675 nan 8.290 nan 0.000 0.535 382 G N 0.101 108.818 108.800 -0.140 0.000 2.442 382 G HA2 0.338 4.298 3.960 -0.000 0.000 0.249 382 G HA3 0.338 4.298 3.960 -0.000 0.000 0.249 382 G C 1.286 176.147 174.900 -0.064 0.000 1.263 382 G CA 0.262 45.306 45.100 -0.094 0.000 0.846 382 G HN 0.565 nan 8.290 nan 0.000 0.555 383 V N 0.051 119.918 119.914 -0.078 0.000 3.078 383 V HA -0.008 4.112 4.120 -0.000 0.000 0.265 383 V C 1.778 177.772 176.094 -0.166 0.000 1.122 383 V CA 1.272 63.503 62.300 -0.114 0.000 1.141 383 V CB -0.948 30.789 31.823 -0.143 0.000 0.735 383 V HN 0.532 nan 8.190 nan 0.000 0.498 384 F N 0.700 120.549 119.950 -0.167 0.000 2.343 384 F HA 0.261 4.788 4.527 -0.000 0.000 0.286 384 F C 2.403 178.282 175.800 0.131 0.000 1.057 384 F CA 1.173 59.115 58.000 -0.097 0.000 1.365 384 F CB -0.259 38.546 39.000 -0.325 0.000 1.114 384 F HN 0.168 nan 8.300 nan 0.000 0.545 385 E N 0.605 120.997 120.200 0.319 0.000 2.150 385 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 385 E C 1.951 178.638 176.600 0.146 0.000 0.985 385 E CA 1.397 57.986 56.400 0.316 0.000 0.814 385 E CB -0.261 29.635 29.700 0.327 0.000 0.752 385 E HN 0.396 nan 8.360 nan 0.000 0.466 386 Q N -0.134 119.697 119.800 0.052 0.000 2.112 386 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 386 Q C 1.373 177.355 176.000 -0.030 0.000 0.987 386 Q CA 1.680 57.476 55.803 -0.012 0.000 0.858 386 Q CB -0.074 28.636 28.738 -0.046 0.000 0.905 386 Q HN 0.370 nan 8.270 nan 0.000 0.420 387 D N -0.012 120.379 120.400 -0.017 0.000 2.234 387 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 387 D C 1.227 177.411 176.300 -0.194 0.000 0.962 387 D CA 0.627 54.572 54.000 -0.092 0.000 0.855 387 D CB -0.102 40.638 40.800 -0.100 0.000 0.951 387 D HN 0.175 nan 8.370 nan 0.000 0.500 388 D N 0.374 120.670 120.400 -0.174 0.000 2.097 388 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 388 D C 2.145 177.885 176.300 -0.933 0.000 0.984 388 D CA 1.227 54.874 54.000 -0.587 0.000 0.826 388 D CB -0.319 40.216 40.800 -0.442 0.000 0.973 388 D HN 0.255 nan 8.370 nan 0.000 0.460 389 G N 0.748 109.305 108.800 -0.405 0.000 2.402 389 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 389 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 389 G C 1.583 176.440 174.900 -0.071 0.000 1.162 389 G CA 0.880 45.910 45.100 -0.117 0.000 0.777 389 G HN 0.233 nan 8.290 nan 0.000 0.539 390 E N 1.303 121.441 120.200 -0.104 0.000 2.070 390 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 390 E C 2.180 178.720 176.600 -0.100 0.000 1.004 390 E CA 1.877 58.230 56.400 -0.078 0.000 0.805 390 E CB -0.551 29.096 29.700 -0.088 0.000 0.744 390 E HN 0.573 nan 8.360 nan 0.000 0.451 391 N N -0.934 117.651 118.700 -0.191 0.000 2.120 391 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 391 N C 1.315 176.782 175.510 -0.071 0.000 1.024 391 N CA 1.434 54.378 53.050 -0.177 0.000 0.852 391 N CB -0.223 38.108 38.487 -0.261 0.000 1.003 391 N HN 0.284 nan 8.380 nan 0.000 0.424 392 W N 0.737 121.944 121.300 -0.155 0.000 2.388 392 W HA 0.066 4.726 4.660 -0.000 0.000 0.294 392 W C 2.021 178.443 176.519 -0.162 0.000 1.212 392 W CA 0.108 57.321 57.345 -0.220 0.000 1.271 392 W CB -1.192 28.207 29.460 -0.102 0.000 1.126 392 W HN -0.097 nan 8.180 nan 0.000 0.535 393 V N 0.497 120.499 119.914 0.146 0.000 2.332 393 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 393 V C 2.186 178.291 176.094 0.018 0.000 1.055 393 V CA 2.376 64.728 62.300 0.086 0.000 1.038 393 V CB -0.803 31.066 31.823 0.077 0.000 0.651 393 V HN -0.014 nan 8.190 nan 0.000 0.450 394 E N -0.132 120.057 120.200 -0.019 0.000 2.152 394 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 394 E C 1.955 178.503 176.600 -0.086 0.000 0.983 394 E CA 0.901 57.273 56.400 -0.048 0.000 0.818 394 E CB -0.220 29.444 29.700 -0.060 0.000 0.758 394 E HN 0.618 nan 8.360 nan 0.000 0.467 395 I N 0.084 120.560 120.570 -0.157 0.000 2.252 395 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 395 I C 2.338 178.344 176.117 -0.185 0.000 1.102 395 I CA 1.041 62.177 61.300 -0.274 0.000 1.385 395 I CB -0.161 37.462 38.000 -0.629 0.000 1.064 395 I HN 0.134 nan 8.210 nan 0.000 0.414 396 Q N 1.425 121.156 119.800 -0.114 0.000 2.079 396 Q HA -0.240 4.100 4.340 -0.000 0.000 0.200 396 Q C 2.041 178.056 176.000 0.025 0.000 0.974 396 Q CA 1.731 57.545 55.803 0.019 0.000 0.840 396 Q CB -0.126 28.655 28.738 0.071 0.000 0.898 396 Q HN 0.210 nan 8.270 nan 0.000 0.430 397 K N -0.584 119.820 120.400 0.008 0.000 2.063 397 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 397 K C 1.843 178.449 176.600 0.010 0.000 1.048 397 K CA 1.906 58.201 56.287 0.013 0.000 0.928 397 K CB -1.032 31.473 32.500 0.007 0.000 0.713 397 K HN 0.292 nan 8.250 nan 0.000 0.442 398 G N 0.419 109.213 108.800 -0.010 0.000 2.448 398 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 398 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 398 G C 1.232 176.139 174.900 0.012 0.000 1.127 398 G CA 0.802 45.896 45.100 -0.009 0.000 0.766 398 G HN 0.328 nan 8.290 nan 0.000 0.552 399 L N -0.155 121.085 121.223 0.028 0.000 2.627 399 L HA 0.185 4.525 4.340 -0.000 0.000 0.233 399 L C 2.686 179.596 176.870 0.067 0.000 1.144 399 L CA -0.102 54.773 54.840 0.058 0.000 0.892 399 L CB -0.049 42.071 42.059 0.102 0.000 1.039 399 L HN 0.148 nan 8.230 nan 0.000 0.442 400 R N 0.252 120.786 120.500 0.056 0.000 2.148 400 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 400 R C 1.256 177.600 176.300 0.074 0.000 1.088 400 R CA 0.503 56.640 56.100 0.062 0.000 0.985 400 R CB -0.125 30.204 30.300 0.049 0.000 0.880 400 R HN 0.323 nan 8.270 nan 0.000 0.451 401 G N -0.775 108.065 108.800 0.067 0.000 2.503 401 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.257 401 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.257 401 G C -0.041 174.928 174.900 0.116 0.000 1.214 401 G CA -0.440 44.711 45.100 0.086 0.000 0.839 401 G HN 0.154 nan 8.290 nan 0.000 0.559 402 Y N 1.055 121.370 120.300 0.025 0.000 2.133 402 Y HA -0.050 4.500 4.550 0.000 0.000 0.287 402 Y C 2.481 178.396 175.900 0.026 0.000 1.134 402 Y CA 1.851 59.967 58.100 0.027 0.000 1.133 402 Y CB 0.180 38.652 38.460 0.020 0.000 0.987 402 Y HN 0.349 nan 8.280 nan 0.000 0.502 403 K N 0.537 120.861 120.400 -0.126 0.000 2.283 403 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 403 K C 2.059 178.574 176.600 -0.141 0.000 1.048 403 K CA 0.883 57.043 56.287 -0.212 0.000 0.948 403 K CB -0.628 31.846 32.500 -0.044 0.000 0.742 403 K HN 0.443 nan 8.250 nan 0.000 0.458 404 A N 1.071 123.849 122.820 -0.070 0.000 2.209 404 A HA -0.081 4.239 4.320 -0.000 0.000 0.212 404 A C 1.458 179.019 177.584 -0.039 0.000 1.158 404 A CA 1.097 53.110 52.037 -0.039 0.000 0.742 404 A CB -0.031 18.966 19.000 -0.006 0.000 0.790 404 A HN 0.192 nan 8.150 nan 0.000 0.472 405 K N -0.683 119.666 120.400 -0.085 0.000 2.438 405 K HA 0.066 4.386 4.320 -0.000 0.000 0.206 405 K C 1.454 177.985 176.600 -0.115 0.000 1.081 405 K CA 0.717 56.968 56.287 -0.059 0.000 1.053 405 K CB 0.587 33.080 32.500 -0.012 0.000 0.908 405 K HN 0.511 nan 8.250 nan 0.000 0.556 406 S N 0.232 115.812 115.700 -0.199 0.000 2.425 406 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 406 S C 0.842 175.377 174.600 -0.108 0.000 1.024 406 S CA 0.118 58.188 58.200 -0.215 0.000 0.951 406 S CB 0.067 63.064 63.200 -0.339 0.000 0.796 406 S HN 0.152 nan 8.310 nan 0.000 0.498 407 Q N 2.352 122.102 119.800 -0.083 0.000 2.282 407 Q HA 0.495 4.835 4.340 -0.000 0.000 0.260 407 Q C -2.715 173.262 176.000 -0.038 0.000 0.964 407 Q CA -2.722 53.050 55.803 -0.052 0.000 0.880 407 Q CB 1.640 30.351 28.738 -0.045 0.000 1.286 407 Q HN 0.279 nan 8.270 nan 0.000 0.445 408 P HA 0.031 nan 4.420 nan 0.000 0.269 408 P C -0.802 176.479 177.300 -0.033 0.000 1.215 408 P CA 0.087 63.166 63.100 -0.035 0.000 0.780 408 P CB 0.781 32.459 31.700 -0.037 0.000 0.898 409 L N 1.953 123.153 121.223 -0.037 0.000 2.334 409 L HA 0.283 4.623 4.340 -0.000 0.000 0.277 409 L C 1.087 177.929 176.870 -0.046 0.000 1.075 409 L CA -0.667 54.155 54.840 -0.031 0.000 0.804 409 L CB 0.335 42.389 42.059 -0.009 0.000 1.174 409 L HN 0.388 nan 8.230 nan 0.000 0.438 410 N N 1.770 120.453 118.700 -0.029 0.000 2.416 410 N HA 0.285 5.025 4.740 -0.000 0.000 0.265 410 N C -0.264 175.229 175.510 -0.029 0.000 1.195 410 N CA -0.003 53.032 53.050 -0.025 0.000 0.943 410 N CB 0.791 39.273 38.487 -0.008 0.000 1.115 410 N HN 0.690 nan 8.380 nan 0.000 0.481 411 A N 3.792 126.585 122.820 -0.045 0.000 3.113 411 A HA 0.174 4.494 4.320 -0.000 0.000 0.307 411 A C 0.491 178.058 177.584 -0.030 0.000 1.025 411 A CA -0.455 51.559 52.037 -0.039 0.000 1.012 411 A CB 0.077 19.033 19.000 -0.075 0.000 1.085 411 A HN 0.822 nan 8.150 nan 0.000 0.519 412 Q N -0.223 119.561 119.800 -0.027 0.000 2.194 412 Q HA 0.345 4.685 4.340 -0.000 0.000 0.214 412 Q C 0.283 176.264 176.000 -0.033 0.000 0.838 412 Q CA -0.134 55.652 55.803 -0.028 0.000 0.972 412 Q CB 0.198 28.922 28.738 -0.024 0.000 1.131 412 Q HN 0.778 nan 8.270 nan 0.000 0.498 413 M N -0.072 119.504 119.600 -0.041 0.000 2.188 413 M HA 0.219 4.699 4.480 -0.000 0.000 0.354 413 M C 0.499 176.775 176.300 -0.040 0.000 1.342 413 M CA 0.923 56.185 55.300 -0.063 0.000 1.117 413 M CB 0.571 33.101 32.600 -0.118 0.000 1.670 413 M HN 0.347 nan 8.290 nan 0.000 0.466 414 G N 4.514 113.298 108.800 -0.026 0.000 2.295 414 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.287 414 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.287 414 G C -0.465 174.425 174.900 -0.015 0.000 1.055 414 G CA -0.167 44.928 45.100 -0.008 0.000 0.922 414 G HN 0.680 nan 8.290 nan 0.000 0.503 415 L N 0.439 121.650 121.223 -0.020 0.000 2.530 415 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 415 L C 1.619 178.477 176.870 -0.019 0.000 1.141 415 L CA 1.765 56.592 54.840 -0.023 0.000 0.905 415 L CB 0.302 42.346 42.059 -0.024 0.000 1.202 415 L HN 1.466 nan 8.230 nan 0.000 0.473 416 G N 3.886 112.673 108.800 -0.022 0.000 2.168 416 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 416 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 416 G C 1.159 176.056 174.900 -0.005 0.000 0.997 416 G CA 0.686 45.776 45.100 -0.016 0.000 0.708 416 G HN 0.657 nan 8.290 nan 0.000 0.520 417 R N -0.145 120.354 120.500 -0.002 0.000 2.359 417 R HA 0.246 4.586 4.340 -0.000 0.000 0.231 417 R C 0.494 176.806 176.300 0.020 0.000 0.913 417 R CA 0.415 56.520 56.100 0.009 0.000 1.075 417 R CB 0.331 30.637 30.300 0.009 0.000 1.087 417 R HN 0.334 nan 8.270 nan 0.000 0.515 418 S N 1.430 117.137 115.700 0.012 0.000 2.541 418 S HA 0.237 4.707 4.470 -0.000 0.000 0.283 418 S C -0.384 174.239 174.600 0.039 0.000 1.196 418 S CA -0.705 57.507 58.200 0.020 0.000 1.062 418 S CB 1.534 64.729 63.200 -0.008 0.000 1.009 418 S HN 0.185 nan 8.310 nan 0.000 0.502 419 Q N -0.168 119.675 119.800 0.072 0.000 2.389 419 Q HA 0.499 4.839 4.340 -0.000 0.000 0.277 419 Q C 0.092 176.170 176.000 0.129 0.000 1.082 419 Q CA -0.983 54.874 55.803 0.090 0.000 0.810 419 Q CB 0.983 29.779 28.738 0.096 0.000 1.374 419 Q HN 0.580 nan 8.270 nan 0.000 0.422 420 T N -2.346 112.283 114.554 0.124 0.000 3.088 420 T HA 0.144 4.494 4.350 -0.000 0.000 0.259 420 T C 0.871 175.678 174.700 0.179 0.000 1.122 420 T CA 0.470 62.663 62.100 0.156 0.000 1.095 420 T CB -0.148 68.796 68.868 0.127 0.000 0.930 420 T HN 0.679 nan 8.240 nan 0.000 0.508 421 G N 0.865 109.763 108.800 0.162 0.000 2.475 421 G HA2 0.500 4.460 3.960 -0.000 0.000 0.322 421 G HA3 0.500 4.460 3.960 -0.000 0.000 0.322 421 G C -1.272 173.757 174.900 0.215 0.000 1.044 421 G CA -0.513 44.680 45.100 0.155 0.000 1.047 421 G HN 0.609 nan 8.290 nan 0.000 0.436 422 H N 2.861 122.009 119.070 0.129 0.000 2.856 422 H HA 0.451 5.007 4.556 0.000 0.000 0.355 422 H C -1.576 173.808 175.328 0.094 0.000 1.079 422 H CA -1.417 54.718 56.048 0.145 0.000 1.240 422 H CB 3.055 32.965 29.762 0.246 0.000 1.701 422 H HN 0.240 nan 8.280 nan 0.000 0.527 423 P HA -0.065 nan 4.420 nan 0.000 0.223 423 P C 0.059 177.272 177.300 -0.146 0.000 1.151 423 P CA 1.078 64.073 63.100 -0.174 0.000 0.787 423 P CB 0.751 32.320 31.700 -0.218 0.000 0.788 424 D N -1.622 118.698 120.400 -0.133 0.000 2.470 424 D HA 0.135 4.775 4.640 -0.000 0.000 0.238 424 D C 0.152 176.144 176.300 -0.515 0.000 1.054 424 D CA 0.481 54.247 54.000 -0.390 0.000 0.896 424 D CB 0.330 40.728 40.800 -0.670 0.000 1.118 424 D HN 0.209 nan 8.370 nan 0.000 0.497 425 F N 1.930 122.163 119.950 0.472 0.000 2.518 425 F HA 0.375 4.902 4.527 0.000 0.000 0.323 425 F C -2.188 173.790 175.800 0.296 0.000 1.129 425 F CA -2.185 56.005 58.000 0.316 0.000 0.920 425 F CB 2.331 41.591 39.000 0.433 0.000 1.160 425 F HN -0.293 nan 8.300 nan 0.000 0.440 426 P HA 0.487 nan 4.420 nan 0.000 0.278 426 P C 0.199 177.772 177.300 0.454 0.000 1.258 426 P CA 0.053 63.331 63.100 0.298 0.000 0.811 426 P CB 1.428 33.209 31.700 0.136 0.000 1.063 427 G N 0.995 110.039 108.800 0.406 0.000 2.725 427 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 427 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 427 G C -0.416 174.712 174.900 0.380 0.000 1.357 427 G CA -0.468 44.931 45.100 0.498 0.000 0.866 427 G HN 0.797 nan 8.290 nan 0.000 0.548 428 N N -0.300 118.545 118.700 0.242 0.000 2.400 428 N HA 0.415 5.155 4.740 -0.000 0.000 0.267 428 N C -0.141 175.434 175.510 0.107 0.000 1.208 428 N CA 0.236 53.350 53.050 0.106 0.000 0.951 428 N CB 0.577 39.052 38.487 -0.020 0.000 1.227 428 N HN 0.729 nan 8.380 nan 0.000 0.488 429 V N 2.142 122.140 119.914 0.140 0.000 2.540 429 V HA 0.822 4.942 4.120 -0.000 0.000 0.302 429 V C 0.877 176.973 176.094 0.003 0.000 1.035 429 V CA -0.583 61.771 62.300 0.090 0.000 0.873 429 V CB 1.392 33.301 31.823 0.144 0.000 0.992 429 V HN 0.718 nan 8.190 nan 0.000 0.428 430 G N 1.896 110.652 108.800 -0.073 0.000 3.222 430 G HA2 0.502 4.462 3.960 -0.000 0.000 0.263 430 G HA3 0.502 4.462 3.960 -0.000 0.000 0.263 430 G C -1.577 173.272 174.900 -0.086 0.000 1.312 430 G CA -0.681 44.393 45.100 -0.044 0.000 0.934 430 G HN 0.439 nan 8.290 nan 0.000 0.577 431 Y N -0.280 119.928 120.300 -0.154 0.000 2.379 431 Y HA 0.280 4.830 4.550 -0.000 0.000 0.337 431 Y C 1.633 177.365 175.900 -0.280 0.000 1.238 431 Y CA 0.142 58.131 58.100 -0.185 0.000 1.405 431 Y CB 1.614 40.021 38.460 -0.088 0.000 1.310 431 Y HN 0.243 nan 8.280 nan 0.000 0.569 432 V N 5.598 124.854 119.914 -1.097 0.000 2.407 432 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 432 V C -0.094 175.528 176.094 -0.787 0.000 1.055 432 V CA 1.584 63.258 62.300 -1.043 0.000 1.049 432 V CB -0.688 30.417 31.823 -1.196 0.000 0.662 432 V HN 0.656 nan 8.190 nan 0.000 0.455 433 Y N 1.058 120.984 120.300 -0.624 0.000 2.691 433 Y HA 0.710 5.260 4.550 -0.000 0.000 0.338 433 Y C 0.299 176.114 175.900 -0.141 0.000 1.148 433 Y CA -0.312 57.643 58.100 -0.242 0.000 1.430 433 Y CB -0.096 38.313 38.460 -0.085 0.000 1.303 433 Y HN 0.279 nan 8.280 nan 0.000 0.499 434 A N 1.520 124.327 122.820 -0.022 0.000 2.588 434 A HA 0.766 5.086 4.320 -0.000 0.000 0.290 434 A C -0.394 177.172 177.584 -0.030 0.000 1.136 434 A CA -0.934 51.084 52.037 -0.032 0.000 0.681 434 A CB 1.320 20.303 19.000 -0.027 0.000 1.282 434 A HN 0.532 nan 8.150 nan 0.000 0.421 435 E N -0.368 119.817 120.200 -0.026 0.000 3.157 435 E HA 0.126 4.476 4.350 -0.000 0.000 0.203 435 E C 0.158 176.755 176.600 -0.005 0.000 0.982 435 E CA -0.084 56.318 56.400 0.003 0.000 1.217 435 E CB 0.949 30.659 29.700 0.016 0.000 1.123 435 E HN 0.645 nan 8.360 nan 0.000 0.457 436 E N 1.030 121.209 120.200 -0.034 0.000 2.107 436 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 436 E C 1.845 178.400 176.600 -0.075 0.000 0.982 436 E CA 1.404 57.770 56.400 -0.057 0.000 0.809 436 E CB 0.066 29.721 29.700 -0.074 0.000 0.756 436 E HN 0.304 nan 8.360 nan 0.000 0.459 437 A N 0.606 123.380 122.820 -0.077 0.000 1.969 437 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 437 A C 2.363 179.918 177.584 -0.048 0.000 1.169 437 A CA 1.650 53.631 52.037 -0.093 0.000 0.635 437 A CB -0.778 18.185 19.000 -0.061 0.000 0.810 437 A HN 0.355 nan 8.150 nan 0.000 0.445 438 A N 0.017 122.846 122.820 0.016 0.000 1.873 438 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 438 A C 2.231 179.915 177.584 0.167 0.000 1.186 438 A CA 1.454 53.548 52.037 0.095 0.000 0.616 438 A CB -0.473 18.636 19.000 0.182 0.000 0.823 438 A HN 0.517 nan 8.150 nan 0.000 0.442 439 R N -0.894 119.666 120.500 0.099 0.000 2.105 439 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 439 R C 2.330 178.656 176.300 0.043 0.000 1.135 439 R CA 1.134 57.282 56.100 0.079 0.000 0.967 439 R CB -0.568 29.731 30.300 -0.002 0.000 0.861 439 R HN 0.553 nan 8.270 nan 0.000 0.442 440 G N 0.577 109.354 108.800 -0.039 0.000 2.402 440 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 440 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 440 G C 1.384 176.193 174.900 -0.151 0.000 1.162 440 G CA 0.322 45.363 45.100 -0.099 0.000 0.777 440 G HN 0.166 nan 8.290 nan 0.000 0.539 441 M N -0.801 118.692 119.600 -0.177 0.000 2.132 441 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 441 M C 2.314 178.425 176.300 -0.316 0.000 1.065 441 M CA 1.288 56.409 55.300 -0.298 0.000 1.122 441 M CB -0.059 32.368 32.600 -0.288 0.000 1.365 441 M HN 0.384 nan 8.290 nan 0.000 0.411 442 Y N -1.724 118.531 120.300 -0.075 0.000 2.395 442 Y HA -0.216 4.334 4.550 -0.000 0.000 0.293 442 Y C 2.398 178.321 175.900 0.038 0.000 1.123 442 Y CA 1.470 59.537 58.100 -0.056 0.000 1.227 442 Y CB -0.471 37.920 38.460 -0.115 0.000 1.012 442 Y HN 0.403 nan 8.280 nan 0.000 0.552 443 H N -1.143 117.949 119.070 0.037 0.000 2.326 443 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 443 H C 2.146 177.405 175.328 -0.116 0.000 1.081 443 H CA 2.203 58.235 56.048 -0.025 0.000 1.334 443 H CB -0.224 29.506 29.762 -0.054 0.000 1.385 443 H HN 0.348 nan 8.280 nan 0.000 0.504 444 H N -1.319 117.532 119.070 -0.365 0.000 2.423 444 H HA -0.116 4.440 4.556 0.000 0.000 0.297 444 H C 2.025 177.003 175.328 -0.583 0.000 1.075 444 H CA 1.743 57.416 56.048 -0.623 0.000 1.342 444 H CB -0.479 28.742 29.762 -0.902 0.000 1.395 444 H HN 0.548 nan 8.280 nan 0.000 0.530 445 W N 0.503 121.422 121.300 -0.635 0.000 2.354 445 W HA -0.250 4.410 4.660 -0.000 0.000 0.315 445 W C 2.378 178.710 176.519 -0.313 0.000 1.206 445 W CA 1.924 59.055 57.345 -0.356 0.000 1.290 445 W CB -0.328 29.066 29.460 -0.110 0.000 1.152 445 W HN 0.214 nan 8.180 nan 0.000 0.489 446 M N 1.003 120.547 119.600 -0.093 0.000 2.213 446 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 446 M C 1.878 177.904 176.300 -0.457 0.000 1.062 446 M CA 1.859 56.994 55.300 -0.275 0.000 1.105 446 M CB -0.711 31.869 32.600 -0.032 0.000 1.385 446 M HN 0.137 nan 8.290 nan 0.000 0.417 447 R N -0.528 119.652 120.500 -0.533 0.000 2.073 447 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 447 R C 2.241 178.223 176.300 -0.529 0.000 1.120 447 R CA 1.532 57.321 56.100 -0.518 0.000 0.967 447 R CB -0.219 29.752 30.300 -0.548 0.000 0.862 447 R HN 0.454 nan 8.270 nan 0.000 0.436 448 M N -0.291 118.907 119.600 -0.671 0.000 2.254 448 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 448 M C 2.069 178.043 176.300 -0.543 0.000 1.066 448 M CA 1.180 56.114 55.300 -0.609 0.000 1.123 448 M CB -0.014 32.239 32.600 -0.579 0.000 1.388 448 M HN 0.125 nan 8.290 nan 0.000 0.425 449 M N -0.344 118.862 119.600 -0.657 0.000 2.254 449 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 449 M C 2.308 178.353 176.300 -0.426 0.000 1.066 449 M CA 1.537 56.458 55.300 -0.632 0.000 1.123 449 M CB -0.845 31.155 32.600 -1.000 0.000 1.388 449 M HN 0.318 nan 8.290 nan 0.000 0.425 450 S N -0.987 114.485 115.700 -0.379 0.000 2.475 450 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 450 S C 0.586 175.060 174.600 -0.209 0.000 1.042 450 S CA -0.206 57.844 58.200 -0.250 0.000 0.935 450 S CB -0.165 62.908 63.200 -0.211 0.000 0.801 450 S HN 0.421 nan 8.310 nan 0.000 0.509 451 E N 3.289 123.340 120.200 -0.249 0.000 2.130 451 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 451 E C -1.836 174.620 176.600 -0.240 0.000 1.018 451 E CA -2.254 54.019 56.400 -0.210 0.000 0.817 451 E CB 1.243 30.821 29.700 -0.203 0.000 1.078 451 E HN 0.297 nan 8.360 nan 0.000 0.396 452 P HA -0.080 nan 4.420 nan 0.000 0.222 452 P C 0.284 177.472 177.300 -0.186 0.000 1.153 452 P CA 0.625 63.623 63.100 -0.170 0.000 0.798 452 P CB 0.564 32.201 31.700 -0.105 0.000 0.796 453 S N -1.669 113.934 115.700 -0.161 0.000 2.536 453 S HA 0.337 4.807 4.470 -0.000 0.000 0.298 453 S C -0.033 174.509 174.600 -0.096 0.000 1.083 453 S CA -0.737 57.403 58.200 -0.100 0.000 0.995 453 S CB 0.466 63.661 63.200 -0.009 0.000 1.058 453 S HN -0.025 nan 8.310 nan 0.000 0.488 454 W N 2.711 124.032 121.300 0.035 0.000 2.611 454 W HA 0.068 4.728 4.660 0.000 0.000 0.251 454 W C 2.270 178.815 176.519 0.044 0.000 1.265 454 W CA 0.465 57.847 57.345 0.061 0.000 1.295 454 W CB -0.111 29.390 29.460 0.068 0.000 1.129 454 W HN 0.887 nan 8.180 nan 0.000 0.630 455 A N 0.072 123.018 122.820 0.211 0.000 1.972 455 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 455 A C 1.992 179.641 177.584 0.107 0.000 1.169 455 A CA 2.424 54.540 52.037 0.132 0.000 0.635 455 A CB -1.035 18.014 19.000 0.083 0.000 0.810 455 A HN 0.317 nan 8.150 nan 0.000 0.446 456 T N -3.340 111.269 114.554 0.092 0.000 3.034 456 T HA 0.240 4.590 4.350 -0.000 0.000 0.248 456 T C 1.776 176.555 174.700 0.132 0.000 1.040 456 T CA 0.608 62.755 62.100 0.078 0.000 1.107 456 T CB -0.294 68.591 68.868 0.028 0.000 0.932 456 T HN 0.200 nan 8.240 nan 0.000 0.474 457 L N 1.280 122.603 121.223 0.166 0.000 2.156 457 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 457 L C 1.348 178.570 176.870 0.585 0.000 1.095 457 L CA 0.490 55.507 54.840 0.296 0.000 0.770 457 L CB -0.396 41.688 42.059 0.043 0.000 0.914 457 L HN 0.411 nan 8.230 nan 0.000 0.439 458 K N 0.793 121.459 120.400 0.442 0.000 2.518 458 K HA 0.074 4.394 4.320 -0.000 0.000 0.276 458 K C -2.254 174.187 176.600 -0.264 0.000 0.974 458 K CA -1.172 55.176 56.287 0.102 0.000 0.986 458 K CB -0.625 31.902 32.500 0.046 0.000 0.901 458 K HN -0.162 nan 8.250 nan 0.000 0.497 459 P HA 0.000 nan 4.420 nan 0.000 0.216 459 P CA 0.000 62.588 63.100 -0.854 0.000 0.800 459 P CB 0.000 31.197 31.700 -0.838 0.000 0.726