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 1og0_1_D DATA FIRST_RESID 18 DATA SEQUENCE GAEEDVRILG YDPLASPALL QVQIPATPTS LETAKRGRRE AIDIITGKDD DATA SEQUENCE RVLVIVGPCS IHDLEAAQEY ALRLKKLSDE LKGDLSIIMR AYLEKPRXXX DATA SEQUENCE GWKGLINDPD VNNTFNINKG LQSARQLFVN LTNIGLPIGS EMLDTISPQY DATA SEQUENCE LADLVSFGAI GARTTESQLH RELASGLSFP VGFKNGTDGT LNVAVDACQA DATA SEQUENCE AAHSHHFMSV TKHGVAAITT TKGNEHCFVI LRGGKKGTNY DAKSVAEAKA DATA SEQUENCE QLPAGSNGLM IDYSHGNSNK DFRNQPKVND VVCEQIANGE NAITGVMIES DATA SEQUENCE NINEGNQGIP AEGKAGLKYG VSITDACIGW ETTEDVLRKL AAAVRQRREV DATA SEQUENCE NKK 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 18 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 18 G C 0.000 174.902 174.900 0.003 0.000 0.946 18 G CA 0.000 45.101 45.100 0.002 0.000 0.502 19 A N -0.053 122.769 122.820 0.004 0.000 2.561 19 A HA 0.453 4.773 4.320 -0.001 0.000 0.234 19 A C 0.333 177.921 177.584 0.007 0.000 1.055 19 A CA 1.215 53.255 52.037 0.005 0.000 0.756 19 A CB 0.007 19.011 19.000 0.006 0.000 0.986 19 A HN 0.703 nan 8.150 nan 0.000 0.505 20 E N 2.057 122.261 120.200 0.008 0.000 2.183 20 E HA 0.357 4.707 4.350 -0.001 0.000 0.250 20 E C -0.434 176.173 176.600 0.012 0.000 0.901 20 E CA -0.200 56.205 56.400 0.008 0.000 0.741 20 E CB 0.332 30.035 29.700 0.005 0.000 1.182 20 E HN 0.773 nan 8.360 nan 0.000 0.425 21 E N 2.190 122.400 120.200 0.017 0.000 2.428 21 E HA 0.165 4.514 4.350 -0.001 0.000 0.259 21 E C -0.606 176.012 176.600 0.029 0.000 0.930 21 E CA -0.927 55.488 56.400 0.025 0.000 0.823 21 E CB 0.941 30.660 29.700 0.032 0.000 1.403 21 E HN 0.384 nan 8.360 nan 0.000 0.415 22 D N 0.404 120.829 120.400 0.041 0.000 2.844 22 D HA -0.180 4.459 4.640 -0.001 0.000 0.227 22 D C 1.270 177.575 176.300 0.008 0.000 1.169 22 D CA 1.114 55.137 54.000 0.038 0.000 0.680 22 D CB -1.597 39.256 40.800 0.089 0.000 1.062 22 D HN 0.331 nan 8.370 nan 0.000 0.421 23 V N -2.630 117.285 119.914 0.002 0.000 2.759 23 V HA -0.108 4.011 4.120 -0.001 0.000 0.256 23 V C 1.756 177.838 176.094 -0.022 0.000 1.080 23 V CA 1.285 63.581 62.300 -0.007 0.000 1.101 23 V CB -0.148 31.672 31.823 -0.005 0.000 0.698 23 V HN 0.187 nan 8.190 nan 0.000 0.477 24 R N 0.003 120.485 120.500 -0.029 0.000 2.468 24 R HA 0.427 4.767 4.340 -0.001 0.000 0.280 24 R C -0.347 175.908 176.300 -0.076 0.000 0.963 24 R CA -0.264 55.809 56.100 -0.046 0.000 1.083 24 R CB 0.599 30.875 30.300 -0.040 0.000 1.200 24 R HN 0.371 nan 8.270 nan 0.000 0.541 25 I N 2.218 122.738 120.570 -0.083 0.000 2.306 25 I HA 0.085 4.255 4.170 -0.001 0.000 0.288 25 I C 1.365 177.396 176.117 -0.143 0.000 1.036 25 I CA -0.226 60.981 61.300 -0.155 0.000 1.221 25 I CB 1.257 39.145 38.000 -0.185 0.000 1.385 25 I HN 0.079 nan 8.210 nan 0.000 0.472 26 L N 5.276 126.406 121.223 -0.155 0.000 2.362 26 L HA 0.093 4.433 4.340 -0.001 0.000 0.219 26 L C 1.040 177.843 176.870 -0.112 0.000 1.134 26 L CA 0.432 55.201 54.840 -0.118 0.000 0.807 26 L CB -0.344 41.642 42.059 -0.122 0.000 0.927 26 L HN 0.831 nan 8.230 nan 0.000 0.447 27 G N -2.054 106.632 108.800 -0.191 0.000 2.337 27 G HA2 0.171 4.131 3.960 -0.001 0.000 0.310 27 G HA3 0.171 4.131 3.960 -0.001 0.000 0.310 27 G C -1.730 173.036 174.900 -0.225 0.000 1.534 27 G CA -0.929 44.099 45.100 -0.120 0.000 0.982 27 G HN -0.179 nan 8.290 nan 0.000 0.672 28 Y N 0.227 120.515 120.300 -0.020 0.000 2.453 28 Y HA 0.706 5.255 4.550 -0.000 0.000 0.326 28 Y C 0.285 176.178 175.900 -0.010 0.000 1.186 28 Y CA -0.571 57.520 58.100 -0.014 0.000 1.200 28 Y CB 1.875 40.331 38.460 -0.007 0.000 1.247 28 Y HN 0.394 nan 8.280 nan 0.000 0.482 29 D N 1.492 121.984 120.400 0.153 0.000 2.671 29 D HA 0.292 4.932 4.640 -0.001 0.000 0.232 29 D C -2.551 173.800 176.300 0.085 0.000 1.114 29 D CA -1.314 52.739 54.000 0.088 0.000 0.858 29 D CB 1.796 42.623 40.800 0.046 0.000 1.544 29 D HN 0.324 nan 8.370 nan 0.000 0.471 30 P HA 0.186 nan 4.420 nan 0.000 0.268 30 P C -0.875 176.459 177.300 0.058 0.000 1.204 30 P CA -0.448 62.686 63.100 0.056 0.000 0.768 30 P CB 0.893 32.619 31.700 0.043 0.000 0.842 31 L N 2.685 123.950 121.223 0.069 0.000 2.376 31 L HA 0.611 4.950 4.340 -0.001 0.000 0.275 31 L C -0.258 176.680 176.870 0.113 0.000 0.987 31 L CA -0.852 54.038 54.840 0.083 0.000 0.828 31 L CB 1.569 43.686 42.059 0.097 0.000 1.249 31 L HN 0.581 nan 8.230 nan 0.000 0.409 32 A N 3.390 126.281 122.820 0.119 0.000 2.540 32 A HA 0.447 4.766 4.320 -0.001 0.000 0.239 32 A C 0.590 178.300 177.584 0.211 0.000 1.061 32 A CA 0.527 52.647 52.037 0.138 0.000 0.758 32 A CB -0.293 18.784 19.000 0.129 0.000 0.991 32 A HN 0.989 nan 8.150 nan 0.000 0.502 33 S N 2.742 118.505 115.700 0.106 0.000 2.600 33 S HA 0.347 4.817 4.470 -0.001 0.000 0.265 33 S C -1.863 172.620 174.600 -0.195 0.000 1.325 33 S CA -0.661 57.538 58.200 -0.002 0.000 1.002 33 S CB 0.507 63.699 63.200 -0.012 0.000 0.921 33 S HN 0.443 nan 8.310 nan 0.000 0.554 34 P HA -0.069 nan 4.420 nan 0.000 0.214 34 P C 1.749 178.846 177.300 -0.337 0.000 1.163 34 P CA 2.103 64.738 63.100 -0.776 0.000 0.883 34 P CB -0.337 30.909 31.700 -0.758 0.000 0.788 35 A N -0.693 121.940 122.820 -0.311 0.000 1.927 35 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 35 A C 2.187 179.692 177.584 -0.132 0.000 1.185 35 A CA 1.903 53.784 52.037 -0.260 0.000 0.639 35 A CB -1.775 16.944 19.000 -0.469 0.000 0.820 35 A HN 0.170 nan 8.150 nan 0.000 0.451 36 L N -0.881 120.292 121.223 -0.083 0.000 2.017 36 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 36 L C 2.208 179.081 176.870 0.006 0.000 1.073 36 L CA 1.580 56.413 54.840 -0.011 0.000 0.745 36 L CB -0.473 41.602 42.059 0.027 0.000 0.894 36 L HN 0.333 nan 8.230 nan 0.000 0.432 37 L N -0.420 120.815 121.223 0.020 0.000 2.083 37 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 37 L C 2.477 179.364 176.870 0.029 0.000 1.083 37 L CA 1.779 56.658 54.840 0.064 0.000 0.752 37 L CB -0.990 41.179 42.059 0.183 0.000 0.899 37 L HN 0.529 nan 8.230 nan 0.000 0.433 38 Q N -1.573 118.220 119.800 -0.011 0.000 2.364 38 Q HA -0.128 4.211 4.340 -0.001 0.000 0.207 38 Q C 2.062 178.060 176.000 -0.004 0.000 0.970 38 Q CA 0.867 56.663 55.803 -0.012 0.000 0.888 38 Q CB 0.230 28.941 28.738 -0.044 0.000 0.951 38 Q HN 0.383 nan 8.270 nan 0.000 0.469 39 V N -0.002 119.909 119.914 -0.005 0.000 2.575 39 V HA -0.165 3.955 4.120 -0.001 0.000 0.242 39 V C 1.945 178.047 176.094 0.013 0.000 1.045 39 V CA 1.145 63.447 62.300 0.003 0.000 1.065 39 V CB -0.234 31.590 31.823 0.002 0.000 0.717 39 V HN 0.293 nan 8.190 nan 0.000 0.467 40 Q N 0.045 119.856 119.800 0.018 0.000 2.061 40 Q HA -0.056 4.284 4.340 -0.001 0.000 0.204 40 Q C 0.634 176.648 176.000 0.022 0.000 0.984 40 Q CA 1.378 57.194 55.803 0.022 0.000 0.846 40 Q CB 0.020 28.774 28.738 0.028 0.000 0.902 40 Q HN 0.503 nan 8.270 nan 0.000 0.421 41 I N 2.339 122.924 120.570 0.025 0.000 2.620 41 I HA 0.243 4.413 4.170 -0.001 0.000 0.280 41 I C -2.268 173.866 176.117 0.029 0.000 1.143 41 I CA -2.109 59.207 61.300 0.027 0.000 1.163 41 I CB 0.948 38.965 38.000 0.029 0.000 1.461 41 I HN -0.043 nan 8.210 nan 0.000 0.530 42 P HA 0.154 nan 4.420 nan 0.000 0.272 42 P C -0.451 176.869 177.300 0.034 0.000 1.223 42 P CA -0.243 62.872 63.100 0.025 0.000 0.784 42 P CB 1.417 33.129 31.700 0.020 0.000 0.923 43 A N 2.233 125.074 122.820 0.036 0.000 2.289 43 A HA 0.490 4.809 4.320 -0.001 0.000 0.298 43 A C 0.866 178.471 177.584 0.035 0.000 1.208 43 A CA -0.320 51.743 52.037 0.044 0.000 0.845 43 A CB -0.394 18.636 19.000 0.051 0.000 1.125 43 A HN 0.640 nan 8.150 nan 0.000 0.517 44 T N 1.040 115.615 114.554 0.035 0.000 2.856 44 T HA 0.284 4.634 4.350 -0.001 0.000 0.306 44 T C -1.735 172.982 174.700 0.028 0.000 1.062 44 T CA -0.908 61.209 62.100 0.028 0.000 1.083 44 T CB 0.419 69.302 68.868 0.026 0.000 0.984 44 T HN 0.325 nan 8.240 nan 0.000 0.542 45 P HA -0.056 nan 4.420 nan 0.000 0.218 45 P C 1.611 178.925 177.300 0.024 0.000 1.148 45 P CA 1.059 64.172 63.100 0.023 0.000 0.822 45 P CB -0.181 31.530 31.700 0.019 0.000 0.784 46 T N -1.061 113.507 114.554 0.022 0.000 2.674 46 T HA -0.117 4.233 4.350 -0.001 0.000 0.265 46 T C 1.990 176.705 174.700 0.025 0.000 1.039 46 T CA 1.757 63.870 62.100 0.022 0.000 1.150 46 T CB -0.971 67.909 68.868 0.019 0.000 0.864 46 T HN 0.082 nan 8.240 nan 0.000 0.427 47 S N 1.431 117.149 115.700 0.030 0.000 2.365 47 S HA -0.049 4.421 4.470 -0.001 0.000 0.225 47 S C 2.029 176.652 174.600 0.038 0.000 1.039 47 S CA 1.091 59.312 58.200 0.036 0.000 1.033 47 S CB -0.560 62.669 63.200 0.048 0.000 0.887 47 S HN 0.364 nan 8.310 nan 0.000 0.447 48 L N 0.799 122.046 121.223 0.040 0.000 2.141 48 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 48 L C 2.655 179.549 176.870 0.040 0.000 1.094 48 L CA 1.087 55.953 54.840 0.043 0.000 0.763 48 L CB -0.447 41.637 42.059 0.040 0.000 0.908 48 L HN 0.251 nan 8.230 nan 0.000 0.437 49 E N 0.176 120.396 120.200 0.033 0.000 2.076 49 E HA -0.126 4.223 4.350 -0.001 0.000 0.190 49 E C 2.062 178.679 176.600 0.029 0.000 0.979 49 E CA 1.555 57.973 56.400 0.030 0.000 0.807 49 E CB -0.169 29.546 29.700 0.024 0.000 0.761 49 E HN 0.215 nan 8.360 nan 0.000 0.454 50 T N 0.515 115.084 114.554 0.025 0.000 2.720 50 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 50 T C 1.800 176.512 174.700 0.021 0.000 1.037 50 T CA 1.732 63.843 62.100 0.019 0.000 1.144 50 T CB -0.534 68.342 68.868 0.014 0.000 0.864 50 T HN 0.336 nan 8.240 nan 0.000 0.444 51 A N 1.672 124.507 122.820 0.026 0.000 1.902 51 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 51 A C 2.265 179.881 177.584 0.054 0.000 1.181 51 A CA 1.595 53.650 52.037 0.031 0.000 0.623 51 A CB -0.412 18.615 19.000 0.044 0.000 0.818 51 A HN 0.478 nan 8.150 nan 0.000 0.443 52 K N -0.874 119.561 120.400 0.058 0.000 2.057 52 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 52 K C 2.383 179.017 176.600 0.057 0.000 1.050 52 K CA 1.357 57.685 56.287 0.067 0.000 0.935 52 K CB -0.175 32.360 32.500 0.058 0.000 0.715 52 K HN 0.464 nan 8.250 nan 0.000 0.439 53 R N 0.769 121.294 120.500 0.041 0.000 2.073 53 R HA -0.133 4.207 4.340 -0.001 0.000 0.234 53 R C 2.386 178.705 176.300 0.031 0.000 1.134 53 R CA 1.803 57.921 56.100 0.031 0.000 0.952 53 R CB -0.601 29.711 30.300 0.021 0.000 0.850 53 R HN 0.303 nan 8.270 nan 0.000 0.433 54 G N 0.670 109.488 108.800 0.030 0.000 2.469 54 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.219 54 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.219 54 G C 1.400 176.332 174.900 0.053 0.000 1.150 54 G CA 0.919 46.037 45.100 0.030 0.000 0.763 54 G HN 0.360 nan 8.290 nan 0.000 0.561 55 R N -0.143 120.406 120.500 0.082 0.000 2.075 55 R HA 0.052 4.392 4.340 -0.001 0.000 0.232 55 R C 2.797 179.144 176.300 0.079 0.000 1.126 55 R CA 0.970 57.145 56.100 0.125 0.000 0.963 55 R CB -0.309 30.098 30.300 0.177 0.000 0.858 55 R HN 0.270 nan 8.270 nan 0.000 0.435 56 R N 0.975 121.508 120.500 0.056 0.000 2.070 56 R HA -0.144 4.196 4.340 -0.001 0.000 0.233 56 R C 2.213 178.512 176.300 -0.001 0.000 1.137 56 R CA 1.633 57.751 56.100 0.029 0.000 0.945 56 R CB -0.208 30.110 30.300 0.029 0.000 0.845 56 R HN 0.363 nan 8.270 nan 0.000 0.430 57 E N 0.305 120.504 120.200 -0.000 0.000 2.058 57 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 57 E C 2.054 178.630 176.600 -0.041 0.000 0.997 57 E CA 1.216 57.604 56.400 -0.020 0.000 0.801 57 E CB -0.133 29.558 29.700 -0.016 0.000 0.746 57 E HN 0.361 nan 8.360 nan 0.000 0.450 58 A N 1.242 124.047 122.820 -0.026 0.000 1.908 58 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 58 A C 2.185 179.718 177.584 -0.085 0.000 1.181 58 A CA 1.199 53.209 52.037 -0.044 0.000 0.627 58 A CB -0.647 18.379 19.000 0.043 0.000 0.818 58 A HN 0.151 nan 8.150 nan 0.000 0.445 59 I N -0.082 120.432 120.570 -0.094 0.000 2.179 59 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 59 I C 1.895 177.905 176.117 -0.179 0.000 1.088 59 I CA 1.603 62.761 61.300 -0.237 0.000 1.357 59 I CB -0.544 37.276 38.000 -0.301 0.000 1.051 59 I HN 0.278 nan 8.210 nan 0.000 0.409 60 D N 0.961 121.298 120.400 -0.105 0.000 2.117 60 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 60 D C 2.260 178.514 176.300 -0.077 0.000 0.987 60 D CA 1.375 55.331 54.000 -0.072 0.000 0.829 60 D CB -0.159 40.614 40.800 -0.045 0.000 0.961 60 D HN 0.362 nan 8.370 nan 0.000 0.460 61 I N 1.258 121.772 120.570 -0.093 0.000 2.202 61 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 61 I C 2.478 178.517 176.117 -0.130 0.000 1.091 61 I CA 0.791 62.028 61.300 -0.105 0.000 1.368 61 I CB -0.286 37.641 38.000 -0.121 0.000 1.058 61 I HN 0.012 nan 8.210 nan 0.000 0.410 62 I N -1.109 119.357 120.570 -0.173 0.000 3.111 62 I HA -0.103 4.066 4.170 -0.001 0.000 0.272 62 I C 1.967 178.034 176.117 -0.083 0.000 1.268 62 I CA 1.336 62.522 61.300 -0.191 0.000 1.467 62 I CB -0.575 37.246 38.000 -0.298 0.000 1.087 62 I HN 0.179 nan 8.210 nan 0.000 0.467 63 T N -2.897 111.617 114.554 -0.068 0.000 3.069 63 T HA 0.504 4.854 4.350 -0.001 0.000 0.252 63 T C 1.502 176.195 174.700 -0.012 0.000 1.053 63 T CA 0.300 62.389 62.100 -0.018 0.000 0.964 63 T CB 0.521 69.380 68.868 -0.015 0.000 1.005 63 T HN 0.643 nan 8.240 nan 0.000 0.532 64 G N 1.903 110.686 108.800 -0.028 0.000 2.195 64 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.246 64 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.246 64 G C 0.841 175.731 174.900 -0.017 0.000 0.984 64 G CA 0.286 45.375 45.100 -0.019 0.000 0.633 64 G HN 0.533 nan 8.290 nan 0.000 0.525 65 K N -0.016 120.371 120.400 -0.021 0.000 2.365 65 K HA 0.126 4.445 4.320 -0.001 0.000 0.199 65 K C 0.334 176.922 176.600 -0.020 0.000 1.045 65 K CA 0.973 57.251 56.287 -0.016 0.000 0.962 65 K CB 0.145 32.636 32.500 -0.015 0.000 0.759 65 K HN 0.396 nan 8.250 nan 0.000 0.469 66 D N 0.107 120.490 120.400 -0.030 0.000 2.780 66 D HA 0.019 4.659 4.640 -0.001 0.000 0.242 66 D C -0.666 175.615 176.300 -0.033 0.000 1.135 66 D CA -0.756 53.226 54.000 -0.030 0.000 0.859 66 D CB 1.519 42.298 40.800 -0.035 0.000 1.530 66 D HN -0.024 nan 8.370 nan 0.000 0.493 67 D N 1.582 121.966 120.400 -0.026 0.000 2.328 67 D HA 0.040 4.679 4.640 -0.001 0.000 0.226 67 D C 0.391 176.674 176.300 -0.029 0.000 1.066 67 D CA 0.033 54.018 54.000 -0.025 0.000 0.861 67 D CB 0.066 40.855 40.800 -0.017 0.000 0.912 67 D HN 0.094 nan 8.370 nan 0.000 0.521 68 R N -0.216 120.262 120.500 -0.036 0.000 2.649 68 R HA 0.520 4.860 4.340 -0.001 0.000 0.270 68 R C -0.531 175.737 176.300 -0.054 0.000 1.105 68 R CA -0.738 55.339 56.100 -0.040 0.000 1.193 68 R CB 1.185 31.462 30.300 -0.039 0.000 1.120 68 R HN -0.051 nan 8.270 nan 0.000 0.561 69 V N 2.613 122.493 119.914 -0.056 0.000 2.398 69 V HA 0.147 4.267 4.120 -0.001 0.000 0.286 69 V C -0.395 175.641 176.094 -0.097 0.000 1.026 69 V CA -0.783 61.472 62.300 -0.074 0.000 0.868 69 V CB 1.487 33.276 31.823 -0.056 0.000 0.982 69 V HN 0.427 nan 8.190 nan 0.000 0.443 70 L N 7.347 128.488 121.223 -0.136 0.000 2.418 70 L HA 0.403 4.742 4.340 -0.001 0.000 0.274 70 L C -0.276 176.487 176.870 -0.179 0.000 1.135 70 L CA 0.713 55.454 54.840 -0.166 0.000 0.870 70 L CB 0.965 42.885 42.059 -0.233 0.000 1.154 70 L HN 0.445 nan 8.230 nan 0.000 0.462 71 V N 7.147 126.966 119.914 -0.158 0.000 2.378 71 V HA 0.376 4.495 4.120 -0.001 0.000 0.288 71 V C -0.103 175.892 176.094 -0.164 0.000 1.016 71 V CA -0.598 61.604 62.300 -0.164 0.000 0.840 71 V CB 1.454 33.205 31.823 -0.120 0.000 0.994 71 V HN 0.503 nan 8.190 nan 0.000 0.431 72 I N 6.072 126.517 120.570 -0.208 0.000 2.310 72 I HA 0.409 4.579 4.170 -0.001 0.000 0.287 72 I C -0.086 175.972 176.117 -0.098 0.000 1.073 72 I CA -0.110 61.091 61.300 -0.165 0.000 1.216 72 I CB 1.035 38.883 38.000 -0.253 0.000 1.415 72 I HN 0.363 nan 8.210 nan 0.000 0.480 73 V N 5.683 125.578 119.914 -0.033 0.000 2.769 73 V HA 1.035 5.155 4.120 -0.001 0.000 0.312 73 V C 0.001 176.143 176.094 0.080 0.000 1.061 73 V CA 0.156 62.460 62.300 0.006 0.000 0.931 73 V CB 1.872 33.715 31.823 0.035 0.000 1.010 73 V HN 0.968 nan 8.190 nan 0.000 0.433 74 G N 5.096 113.913 108.800 0.028 0.000 2.359 74 G HA2 0.270 4.230 3.960 -0.001 0.000 0.293 74 G HA3 0.270 4.230 3.960 -0.001 0.000 0.293 74 G C -3.510 171.243 174.900 -0.245 0.000 1.300 74 G CA -0.593 44.429 45.100 -0.129 0.000 0.888 74 G HN 0.673 nan 8.290 nan 0.000 0.541 75 P HA 0.162 nan 4.420 nan 0.000 0.269 75 P C 1.253 178.459 177.300 -0.156 0.000 1.211 75 P CA 0.108 63.059 63.100 -0.250 0.000 0.781 75 P CB 0.789 32.340 31.700 -0.248 0.000 0.877 76 C N 1.254 120.493 119.300 -0.101 0.000 2.446 76 C HA 0.007 4.467 4.460 -0.001 0.000 0.277 76 C C 0.824 175.827 174.990 0.021 0.000 1.275 76 C CA 1.641 60.619 59.018 -0.066 0.000 1.727 76 C CB -1.415 26.324 27.740 -0.001 0.000 2.010 76 C HN 0.741 nan 8.230 nan 0.000 0.486 77 S N -0.041 115.726 115.700 0.111 0.000 2.537 77 S HA 0.638 5.108 4.470 -0.001 0.000 0.271 77 S C -1.262 173.495 174.600 0.261 0.000 1.148 77 S CA -0.769 57.594 58.200 0.273 0.000 0.868 77 S CB 0.910 64.368 63.200 0.431 0.000 1.115 77 S HN 0.195 nan 8.310 nan 0.000 0.461 78 I N 4.264 125.015 120.570 0.301 0.000 2.331 78 I HA 0.361 4.531 4.170 -0.001 0.000 0.292 78 I C 0.996 177.270 176.117 0.261 0.000 0.998 78 I CA -0.318 61.092 61.300 0.183 0.000 1.267 78 I CB 0.683 38.766 38.000 0.139 0.000 1.386 78 I HN 1.089 nan 8.210 nan 0.000 0.476 79 H N 2.655 121.654 119.070 -0.119 0.000 3.233 79 H HA 0.303 4.858 4.556 -0.001 0.000 0.263 79 H C -0.775 174.438 175.328 -0.191 0.000 1.168 79 H CA -0.262 55.597 56.048 -0.315 0.000 1.159 79 H CB 1.230 30.357 29.762 -1.059 0.000 1.593 79 H HN 0.510 nan 8.280 nan 0.000 0.580 80 D N 1.304 121.320 120.400 -0.640 0.000 2.476 80 D HA 0.146 4.786 4.640 -0.001 0.000 0.251 80 D C 0.497 176.658 176.300 -0.231 0.000 1.291 80 D CA -0.528 53.196 54.000 -0.461 0.000 0.939 80 D CB 1.699 42.100 40.800 -0.665 0.000 1.221 80 D HN 0.003 nan 8.370 nan 0.000 0.567 81 L N 3.292 124.452 121.223 -0.104 0.000 2.201 81 L HA -0.052 4.288 4.340 -0.001 0.000 0.212 81 L C 1.998 178.851 176.870 -0.027 0.000 1.105 81 L CA 1.388 56.205 54.840 -0.038 0.000 0.775 81 L CB -0.239 41.820 42.059 0.000 0.000 0.913 81 L HN 0.394 nan 8.230 nan 0.000 0.440 82 E N -0.366 119.820 120.200 -0.024 0.000 2.028 82 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 82 E C 2.378 178.999 176.600 0.033 0.000 0.988 82 E CA 1.340 57.755 56.400 0.025 0.000 0.799 82 E CB -0.627 29.111 29.700 0.064 0.000 0.755 82 E HN 0.374 nan 8.360 nan 0.000 0.447 83 A N 0.966 123.764 122.820 -0.036 0.000 1.940 83 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 83 A C 2.332 179.844 177.584 -0.121 0.000 1.176 83 A CA 2.000 53.924 52.037 -0.187 0.000 0.631 83 A CB -0.831 17.837 19.000 -0.554 0.000 0.814 83 A HN 0.268 nan 8.150 nan 0.000 0.446 84 A N -1.359 121.396 122.820 -0.109 0.000 1.969 84 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 84 A C 2.106 179.705 177.584 0.024 0.000 1.169 84 A CA 1.927 53.931 52.037 -0.056 0.000 0.635 84 A CB -0.353 18.616 19.000 -0.053 0.000 0.810 84 A HN 0.506 nan 8.150 nan 0.000 0.445 85 Q N -0.043 119.767 119.800 0.016 0.000 2.123 85 Q HA -0.093 4.247 4.340 -0.001 0.000 0.199 85 Q C 1.911 177.919 176.000 0.012 0.000 0.966 85 Q CA 1.882 57.699 55.803 0.023 0.000 0.845 85 Q CB -0.273 28.476 28.738 0.019 0.000 0.907 85 Q HN 0.760 nan 8.270 nan 0.000 0.439 86 E N -1.309 118.901 120.200 0.018 0.000 2.051 86 E HA -0.230 4.120 4.350 -0.001 0.000 0.192 86 E C 1.696 178.239 176.600 -0.095 0.000 0.991 86 E CA 1.084 57.474 56.400 -0.017 0.000 0.799 86 E CB -0.269 29.463 29.700 0.054 0.000 0.748 86 E HN 0.497 nan 8.360 nan 0.000 0.449 87 Y N 0.794 120.985 120.300 -0.182 0.000 2.165 87 Y HA -0.230 4.320 4.550 -0.001 0.000 0.286 87 Y C 2.050 177.813 175.900 -0.229 0.000 1.155 87 Y CA 1.796 59.746 58.100 -0.251 0.000 1.164 87 Y CB -0.563 37.809 38.460 -0.147 0.000 0.978 87 Y HN 0.136 nan 8.280 nan 0.000 0.513 88 A N 0.241 123.123 122.820 0.104 0.000 1.908 88 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 88 A C 2.153 179.686 177.584 -0.085 0.000 1.181 88 A CA 1.808 53.877 52.037 0.052 0.000 0.627 88 A CB -1.039 17.998 19.000 0.062 0.000 0.818 88 A HN 0.466 nan 8.150 nan 0.000 0.445 89 L N -0.281 120.871 121.223 -0.118 0.000 2.012 89 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 89 L C 2.659 179.395 176.870 -0.225 0.000 1.073 89 L CA 1.949 56.708 54.840 -0.136 0.000 0.748 89 L CB -1.471 40.518 42.059 -0.117 0.000 0.891 89 L HN 0.450 nan 8.230 nan 0.000 0.431 90 R N -0.704 119.533 120.500 -0.438 0.000 2.080 90 R HA -0.202 4.138 4.340 -0.001 0.000 0.236 90 R C 2.130 178.166 176.300 -0.439 0.000 1.137 90 R CA 1.210 56.910 56.100 -0.667 0.000 0.943 90 R CB -0.690 28.687 30.300 -1.538 0.000 0.846 90 R HN 0.177 nan 8.270 nan 0.000 0.431 91 L N 1.620 122.563 121.223 -0.466 0.000 2.131 91 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 91 L C 2.143 179.036 176.870 0.038 0.000 1.092 91 L CA 1.789 56.632 54.840 0.006 0.000 0.759 91 L CB -0.338 41.722 42.059 0.002 0.000 0.903 91 L HN -0.072 nan 8.230 nan 0.000 0.435 92 K N 0.072 120.454 120.400 -0.030 0.000 2.097 92 K HA -0.189 4.131 4.320 -0.001 0.000 0.205 92 K C 2.181 178.785 176.600 0.006 0.000 1.050 92 K CA 1.676 57.960 56.287 -0.005 0.000 0.938 92 K CB -0.230 32.258 32.500 -0.020 0.000 0.718 92 K HN 0.326 nan 8.250 nan 0.000 0.442 93 K N -0.089 120.309 120.400 -0.004 0.000 1.985 93 K HA -0.139 4.180 4.320 -0.001 0.000 0.210 93 K C 2.003 178.630 176.600 0.046 0.000 1.047 93 K CA 1.544 57.840 56.287 0.014 0.000 0.932 93 K CB -0.421 32.083 32.500 0.007 0.000 0.716 93 K HN 0.149 nan 8.250 nan 0.000 0.439 94 L N 1.112 122.392 121.223 0.096 0.000 2.043 94 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 94 L C 2.288 179.189 176.870 0.053 0.000 1.075 94 L CA 2.136 57.035 54.840 0.099 0.000 0.752 94 L CB -1.032 41.131 42.059 0.175 0.000 0.891 94 L HN 0.231 nan 8.230 nan 0.000 0.432 95 S N -1.106 114.626 115.700 0.054 0.000 2.419 95 S HA -0.201 4.269 4.470 -0.001 0.000 0.235 95 S C 1.664 176.274 174.600 0.016 0.000 1.019 95 S CA 1.552 59.769 58.200 0.029 0.000 0.982 95 S CB -0.479 62.738 63.200 0.029 0.000 0.789 95 S HN 0.626 nan 8.310 nan 0.000 0.490 96 D N 0.729 121.139 120.400 0.017 0.000 2.137 96 D HA -0.052 4.587 4.640 -0.001 0.000 0.202 96 D C 1.954 178.259 176.300 0.008 0.000 0.970 96 D CA 0.819 54.825 54.000 0.010 0.000 0.837 96 D CB -0.456 40.350 40.800 0.009 0.000 0.981 96 D HN 0.600 nan 8.370 nan 0.000 0.475 97 E N 0.409 120.616 120.200 0.012 0.000 2.051 97 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 97 E C 1.572 178.173 176.600 0.001 0.000 0.991 97 E CA 0.686 57.091 56.400 0.008 0.000 0.799 97 E CB 0.082 29.790 29.700 0.013 0.000 0.748 97 E HN 0.229 nan 8.360 nan 0.000 0.449 98 L N 0.949 122.172 121.223 -0.000 0.000 2.653 98 L HA 0.147 4.487 4.340 -0.001 0.000 0.231 98 L C 1.718 178.582 176.870 -0.010 0.000 1.153 98 L CA -0.077 54.758 54.840 -0.008 0.000 0.933 98 L CB -0.127 41.923 42.059 -0.014 0.000 1.175 98 L HN 0.027 nan 8.230 nan 0.000 0.473 99 K N 0.441 120.838 120.400 -0.006 0.000 2.574 99 K HA -0.002 4.317 4.320 -0.001 0.000 0.193 99 K C 1.621 178.214 176.600 -0.011 0.000 1.035 99 K CA 0.990 57.272 56.287 -0.009 0.000 0.982 99 K CB -0.129 32.368 32.500 -0.005 0.000 0.795 99 K HN 0.215 nan 8.250 nan 0.000 0.491 100 G N 0.921 109.714 108.800 -0.011 0.000 2.539 100 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.215 100 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.215 100 G C 0.733 175.624 174.900 -0.015 0.000 1.141 100 G CA 0.373 45.466 45.100 -0.011 0.000 0.806 100 G HN 0.325 nan 8.290 nan 0.000 0.533 101 D N -0.597 119.792 120.400 -0.017 0.000 2.504 101 D HA 0.167 4.806 4.640 -0.001 0.000 0.276 101 D C 0.732 177.015 176.300 -0.028 0.000 1.073 101 D CA 0.019 54.007 54.000 -0.021 0.000 0.905 101 D CB 0.676 41.464 40.800 -0.019 0.000 1.350 101 D HN 0.163 nan 8.370 nan 0.000 0.496 102 L N 1.172 122.379 121.223 -0.028 0.000 2.296 102 L HA 0.362 4.702 4.340 -0.001 0.000 0.286 102 L C 0.069 176.918 176.870 -0.035 0.000 1.023 102 L CA -0.537 54.281 54.840 -0.036 0.000 0.812 102 L CB 2.115 44.153 42.059 -0.036 0.000 1.223 102 L HN -0.161 nan 8.230 nan 0.000 0.421 103 S N 4.997 120.668 115.700 -0.047 0.000 2.466 103 S HA 0.517 4.986 4.470 -0.001 0.000 0.313 103 S C -0.221 174.348 174.600 -0.052 0.000 1.078 103 S CA -0.590 57.583 58.200 -0.044 0.000 1.115 103 S CB -0.218 62.950 63.200 -0.053 0.000 1.006 103 S HN 0.406 nan 8.310 nan 0.000 0.487 104 I N 4.972 125.522 120.570 -0.033 0.000 2.612 104 I HA 0.488 4.658 4.170 -0.001 0.000 0.295 104 I C -0.065 176.040 176.117 -0.019 0.000 1.011 104 I CA -0.675 60.609 61.300 -0.027 0.000 1.326 104 I CB 1.275 39.275 38.000 -0.000 0.000 1.427 104 I HN 0.487 nan 8.210 nan 0.000 0.537 105 I N 5.252 125.810 120.570 -0.021 0.000 2.610 105 I HA 0.281 4.450 4.170 -0.001 0.000 0.289 105 I C -0.465 175.666 176.117 0.024 0.000 1.163 105 I CA -0.494 60.801 61.300 -0.007 0.000 1.044 105 I CB 2.194 40.178 38.000 -0.028 0.000 1.251 105 I HN 0.576 nan 8.210 nan 0.000 0.424 106 M N 5.225 124.852 119.600 0.044 0.000 2.242 106 M HA 0.378 4.857 4.480 -0.001 0.000 0.344 106 M C -0.183 176.161 176.300 0.073 0.000 1.140 106 M CA -0.100 55.248 55.300 0.081 0.000 1.160 106 M CB 0.777 33.434 32.600 0.096 0.000 1.491 106 M HN 0.479 nan 8.290 nan 0.000 0.459 107 R N 2.999 123.547 120.500 0.080 0.000 2.210 107 R HA 0.390 4.729 4.340 -0.001 0.000 0.338 107 R C -0.817 175.574 176.300 0.152 0.000 1.062 107 R CA -0.161 56.028 56.100 0.148 0.000 0.902 107 R CB 0.552 30.839 30.300 -0.021 0.000 1.050 107 R HN 0.711 nan 8.270 nan 0.000 0.461 108 A N 4.857 127.801 122.820 0.206 0.000 3.047 108 A HA 0.267 4.587 4.320 -0.001 0.000 0.337 108 A C -1.186 176.589 177.584 0.317 0.000 1.143 108 A CA -0.483 51.636 52.037 0.137 0.000 0.905 108 A CB 0.153 19.032 19.000 -0.203 0.000 1.088 108 A HN 0.565 nan 8.150 nan 0.000 0.488 109 Y N 1.138 121.501 120.300 0.106 0.000 2.323 109 Y HA 0.342 4.891 4.550 -0.001 0.000 0.331 109 Y C 1.041 177.037 175.900 0.160 0.000 1.092 109 Y CA -0.997 57.180 58.100 0.129 0.000 1.150 109 Y CB 1.207 39.727 38.460 0.099 0.000 1.200 109 Y HN 0.384 nan 8.280 nan 0.000 0.472 110 L N 1.637 122.989 121.223 0.216 0.000 2.168 110 L HA 0.140 4.479 4.340 -0.001 0.000 0.203 110 L C 1.277 178.147 176.870 -0.000 0.000 1.078 110 L CA 1.050 55.963 54.840 0.122 0.000 0.780 110 L CB -1.308 40.756 42.059 0.009 0.000 0.939 110 L HN 0.752 nan 8.230 nan 0.000 0.451 111 E N -0.023 120.174 120.200 -0.005 0.000 2.339 111 E HA 0.570 4.920 4.350 -0.001 0.000 0.262 111 E C -0.499 176.131 176.600 0.050 0.000 0.934 111 E CA -0.840 55.500 56.400 -0.100 0.000 0.802 111 E CB 1.907 nan 29.700 nan 0.000 1.275 111 E HN -0.048 nan 8.360 nan 0.000 0.427 112 K N 1.373 121.780 120.400 0.012 0.000 2.324 112 K HA 0.496 4.816 4.320 -0.001 0.000 0.253 112 K C -2.606 174.003 176.600 0.015 0.000 0.932 112 K CA -1.929 54.396 56.287 0.065 0.000 0.799 112 K CB 1.552 34.113 32.500 0.102 0.000 1.154 112 K HN 0.328 nan 8.250 nan 0.000 0.425 113 P HA 0.024 nan 4.420 nan 0.000 0.256 113 P C -0.267 177.030 177.300 -0.005 0.000 1.189 113 P CA 0.415 63.509 63.100 -0.011 0.000 0.808 113 P CB 0.228 31.912 31.700 -0.026 0.000 0.793 119 W N 2.185 123.441 121.300 -0.075 0.000 2.561 119 W HA 0.160 4.820 4.660 -0.001 0.000 0.343 119 W C 1.218 177.685 176.519 -0.087 0.000 1.190 119 W CA 0.487 57.775 57.345 -0.094 0.000 1.232 119 W CB 0.389 29.787 29.460 -0.103 0.000 1.195 119 W HN 0.441 nan 8.180 nan 0.000 0.571 120 K N 5.477 125.588 120.400 -0.482 0.000 2.589 120 K HA 0.230 4.549 4.320 -0.001 0.000 0.192 120 K C 0.924 176.996 176.600 -0.880 0.000 1.029 120 K CA 0.704 56.658 56.287 -0.554 0.000 1.031 120 K CB -0.559 31.689 32.500 -0.419 0.000 0.821 120 K HN 0.770 nan 8.250 nan 0.000 0.502 121 G N 0.509 108.186 108.800 -1.873 0.000 2.570 121 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.686 121 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.686 121 G C -0.110 174.027 174.900 -1.272 0.000 1.257 121 G CA -0.757 43.257 45.100 -1.811 0.000 0.846 121 G HN 0.063 nan 8.290 nan 0.000 0.627 122 L N 0.682 121.606 121.223 -0.499 0.000 2.093 122 L HA 0.227 4.567 4.340 -0.001 0.000 0.208 122 L C 2.858 179.695 176.870 -0.056 0.000 1.085 122 L CA 2.111 57.008 54.840 0.096 0.000 0.755 122 L CB -0.483 41.715 42.059 0.233 0.000 0.904 122 L HN 0.674 nan 8.230 nan 0.000 0.435 123 I N -0.532 119.948 120.570 -0.149 0.000 2.179 123 I HA -0.325 3.844 4.170 -0.001 0.000 0.242 123 I C 2.062 178.092 176.117 -0.144 0.000 1.088 123 I CA 1.769 62.979 61.300 -0.150 0.000 1.357 123 I CB -0.398 37.501 38.000 -0.169 0.000 1.051 123 I HN 0.407 nan 8.210 nan 0.000 0.409 124 N N -0.289 118.290 118.700 -0.202 0.000 2.290 124 N HA -0.122 4.618 4.740 -0.001 0.000 0.179 124 N C 0.396 175.764 175.510 -0.237 0.000 1.016 124 N CA 0.792 53.730 53.050 -0.186 0.000 0.871 124 N CB 0.258 38.609 38.487 -0.226 0.000 0.987 124 N HN 0.168 nan 8.380 nan 0.000 0.431 125 D N 0.070 120.313 120.400 -0.261 0.000 2.861 125 D HA 0.150 4.789 4.640 -0.001 0.000 0.357 125 D C -1.883 174.506 176.300 0.147 0.000 1.250 125 D CA -2.022 51.900 54.000 -0.130 0.000 0.802 125 D CB 0.678 41.343 40.800 -0.226 0.000 1.141 125 D HN 0.019 nan 8.370 nan 0.000 0.489 126 P HA -0.138 nan 4.420 nan 0.000 0.222 126 P C 0.384 177.776 177.300 0.153 0.000 1.142 126 P CA 0.938 64.138 63.100 0.167 0.000 0.788 126 P CB 0.470 32.213 31.700 0.072 0.000 0.767 127 D N -0.689 119.782 120.400 0.117 0.000 2.350 127 D HA 0.043 4.683 4.640 -0.001 0.000 0.213 127 D C 0.636 176.979 176.300 0.072 0.000 1.031 127 D CA 0.131 54.177 54.000 0.076 0.000 0.861 127 D CB 0.240 41.069 40.800 0.049 0.000 0.926 127 D HN -0.098 nan 8.370 nan 0.000 0.520 128 V N 2.499 122.496 119.914 0.140 0.000 5.616 128 V HA -0.288 3.831 4.120 -0.001 0.000 0.301 128 V C 0.533 176.647 176.094 0.033 0.000 0.564 128 V CA 1.160 63.493 62.300 0.056 0.000 0.653 128 V CB -2.231 29.510 31.823 -0.137 0.000 0.372 128 V HN 0.431 nan 8.190 nan 0.000 1.029 129 N N -0.622 118.111 118.700 0.055 0.000 2.307 129 N HA 0.142 4.881 4.740 -0.001 0.000 0.248 129 N C 0.317 175.843 175.510 0.026 0.000 1.322 129 N CA 0.152 53.220 53.050 0.030 0.000 0.861 129 N CB 0.004 38.507 38.487 0.027 0.000 1.303 129 N HN 0.615 nan 8.380 nan 0.000 0.498 130 N N -0.091 118.619 118.700 0.017 0.000 2.714 130 N HA -0.203 4.537 4.740 -0.001 0.000 0.250 130 N C -0.889 174.597 175.510 -0.040 0.000 1.117 130 N CA 1.484 54.516 53.050 -0.031 0.000 0.719 130 N CB -1.512 36.985 38.487 0.018 0.000 1.081 130 N HN 0.730 nan 8.380 nan 0.000 0.557 131 T N -3.556 110.968 114.554 -0.050 0.000 2.949 131 T HA 0.713 5.063 4.350 -0.001 0.000 0.287 131 T C 0.025 174.686 174.700 -0.065 0.000 1.034 131 T CA -0.747 61.391 62.100 0.064 0.000 1.018 131 T CB 1.071 69.989 68.868 0.082 0.000 1.135 131 T HN 0.108 nan 8.240 nan 0.000 0.532 132 F N 0.957 120.906 119.950 -0.002 0.000 2.492 132 F HA 0.659 5.186 4.527 -0.001 0.000 0.327 132 F C 0.755 176.545 175.800 -0.016 0.000 1.079 132 F CA -0.868 57.121 58.000 -0.019 0.000 0.967 132 F CB 1.822 40.801 39.000 -0.033 0.000 1.169 132 F HN 0.633 nan 8.300 nan 0.000 0.472 133 N N 2.545 121.318 118.700 0.122 0.000 3.091 133 N HA 0.110 4.850 4.740 -0.001 0.000 0.185 133 N C 0.076 175.596 175.510 0.016 0.000 1.398 133 N CA 0.031 53.119 53.050 0.063 0.000 0.938 133 N CB -0.018 38.496 38.487 0.044 0.000 1.605 133 N HN 0.420 nan 8.380 nan 0.000 0.597 134 I N 0.882 121.458 120.570 0.011 0.000 2.151 134 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 134 I C 2.172 178.241 176.117 -0.079 0.000 1.080 134 I CA 1.103 62.374 61.300 -0.049 0.000 1.339 134 I CB -0.275 37.689 38.000 -0.059 0.000 1.039 134 I HN 0.464 nan 8.210 nan 0.000 0.409 135 N N 0.511 119.184 118.700 -0.046 0.000 2.061 135 N HA -0.258 4.482 4.740 -0.001 0.000 0.193 135 N C 1.967 177.454 175.510 -0.039 0.000 1.030 135 N CA 1.486 54.511 53.050 -0.042 0.000 0.856 135 N CB -0.309 38.176 38.487 -0.003 0.000 1.023 135 N HN 0.454 nan 8.380 nan 0.000 0.424 136 K N 0.491 120.878 120.400 -0.021 0.000 2.155 136 K HA -0.041 4.278 4.320 -0.001 0.000 0.203 136 K C 2.013 178.595 176.600 -0.029 0.000 1.052 136 K CA 1.124 57.404 56.287 -0.013 0.000 0.948 136 K CB -0.234 32.269 32.500 0.004 0.000 0.728 136 K HN 0.124 nan 8.250 nan 0.000 0.448 137 G N 1.461 110.233 108.800 -0.046 0.000 2.421 137 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 137 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 137 G C 1.452 176.286 174.900 -0.111 0.000 1.171 137 G CA 0.628 45.689 45.100 -0.065 0.000 0.775 137 G HN 0.209 nan 8.290 nan 0.000 0.543 138 L N -0.260 120.868 121.223 -0.159 0.000 2.131 138 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 138 L C 3.101 179.893 176.870 -0.131 0.000 1.092 138 L CA 0.961 55.668 54.840 -0.221 0.000 0.759 138 L CB -0.340 41.500 42.059 -0.365 0.000 0.903 138 L HN 0.293 nan 8.230 nan 0.000 0.435 139 Q N -0.704 119.051 119.800 -0.074 0.000 2.046 139 Q HA -0.157 4.182 4.340 -0.001 0.000 0.200 139 Q C 2.462 178.439 176.000 -0.039 0.000 0.975 139 Q CA 1.847 57.630 55.803 -0.035 0.000 0.836 139 Q CB 0.001 28.732 28.738 -0.012 0.000 0.896 139 Q HN 0.403 nan 8.270 nan 0.000 0.428 140 S N 0.797 116.475 115.700 -0.036 0.000 2.353 140 S HA -0.229 4.241 4.470 -0.001 0.000 0.222 140 S C 2.046 176.617 174.600 -0.050 0.000 1.035 140 S CA 1.073 59.262 58.200 -0.018 0.000 1.025 140 S CB -0.511 62.693 63.200 0.007 0.000 0.902 140 S HN 0.523 nan 8.310 nan 0.000 0.440 141 A N 1.942 124.691 122.820 -0.118 0.000 1.869 141 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 141 A C 2.122 179.478 177.584 -0.380 0.000 1.203 141 A CA 2.106 53.981 52.037 -0.269 0.000 0.638 141 A CB -0.740 18.046 19.000 -0.356 0.000 0.831 141 A HN 0.454 nan 8.150 nan 0.000 0.450 142 R N -1.225 119.114 120.500 -0.267 0.000 2.096 142 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 142 R C 2.431 178.721 176.300 -0.016 0.000 1.127 142 R CA 1.786 57.787 56.100 -0.164 0.000 0.968 142 R CB -0.234 30.030 30.300 -0.059 0.000 0.861 142 R HN 0.588 nan 8.270 nan 0.000 0.440 143 Q N 0.771 120.570 119.800 -0.003 0.000 2.050 143 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 143 Q C 1.942 177.991 176.000 0.082 0.000 0.980 143 Q CA 1.643 57.469 55.803 0.038 0.000 0.840 143 Q CB -0.441 28.313 28.738 0.025 0.000 0.898 143 Q HN 0.353 nan 8.270 nan 0.000 0.424 144 L N -0.408 120.873 121.223 0.096 0.000 1.971 144 L HA -0.159 4.180 4.340 -0.001 0.000 0.215 144 L C 1.949 179.000 176.870 0.300 0.000 1.072 144 L CA 1.936 56.882 54.840 0.176 0.000 0.758 144 L CB -0.969 41.216 42.059 0.210 0.000 0.889 144 L HN 0.246 nan 8.230 nan 0.000 0.433 145 F N -0.679 119.284 119.950 0.022 0.000 2.154 145 F HA -0.197 4.330 4.527 -0.001 0.000 0.301 145 F C 2.499 178.312 175.800 0.020 0.000 1.087 145 F CA 1.377 59.389 58.000 0.019 0.000 1.274 145 F CB -1.407 37.602 39.000 0.015 0.000 1.009 145 F HN -0.026 nan 8.300 nan 0.000 0.485 146 V N 0.162 120.208 119.914 0.219 0.000 2.323 146 V HA -0.260 3.860 4.120 -0.001 0.000 0.244 146 V C 2.226 178.374 176.094 0.090 0.000 1.041 146 V CA 1.735 64.111 62.300 0.125 0.000 1.025 146 V CB -0.649 31.228 31.823 0.090 0.000 0.656 146 V HN 0.278 nan 8.190 nan 0.000 0.451 147 N N 0.499 119.252 118.700 0.089 0.000 2.069 147 N HA -0.149 4.590 4.740 -0.001 0.000 0.191 147 N C 1.801 177.343 175.510 0.052 0.000 1.031 147 N CA 1.581 54.668 53.050 0.062 0.000 0.852 147 N CB -0.480 38.042 38.487 0.059 0.000 1.018 147 N HN 0.390 nan 8.380 nan 0.000 0.423 148 L N 0.625 121.885 121.223 0.061 0.000 1.973 148 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 148 L C 2.613 179.494 176.870 0.019 0.000 1.073 148 L CA 1.799 56.659 54.840 0.034 0.000 0.746 148 L CB -1.405 40.663 42.059 0.016 0.000 0.891 148 L HN 0.292 nan 8.230 nan 0.000 0.433 149 T N -2.939 111.624 114.554 0.015 0.000 2.897 149 T HA -0.216 4.134 4.350 -0.001 0.000 0.271 149 T C 1.547 176.260 174.700 0.022 0.000 1.084 149 T CA 1.693 63.799 62.100 0.010 0.000 1.123 149 T CB -0.656 68.221 68.868 0.015 0.000 0.865 149 T HN 0.251 nan 8.240 nan 0.000 0.496 150 N N 1.945 120.662 118.700 0.030 0.000 2.309 150 N HA -0.004 4.735 4.740 -0.001 0.000 0.182 150 N C 1.611 177.132 175.510 0.018 0.000 1.018 150 N CA 1.146 54.212 53.050 0.027 0.000 0.876 150 N CB -0.552 37.954 38.487 0.031 0.000 0.972 150 N HN 0.819 nan 8.380 nan 0.000 0.434 151 I N -4.156 116.423 120.570 0.015 0.000 3.749 151 I HA 0.416 4.586 4.170 -0.001 0.000 0.314 151 I C 0.940 177.061 176.117 0.007 0.000 1.267 151 I CA 0.359 61.664 61.300 0.008 0.000 1.169 151 I CB -0.308 37.694 38.000 0.003 0.000 1.009 151 I HN 0.098 nan 8.210 nan 0.000 0.444 152 G N 1.951 110.757 108.800 0.009 0.000 2.141 152 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.242 152 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.242 152 G C -0.316 174.588 174.900 0.007 0.000 0.982 152 G CA 0.150 45.255 45.100 0.008 0.000 0.662 152 G HN 0.405 nan 8.290 nan 0.000 0.527 153 L N 1.840 123.067 121.223 0.006 0.000 2.262 153 L HA 0.699 5.038 4.340 -0.001 0.000 0.288 153 L C -1.983 174.883 176.870 -0.006 0.000 1.035 153 L CA -2.519 52.325 54.840 0.006 0.000 0.820 153 L CB 1.021 43.090 42.059 0.016 0.000 1.204 153 L HN -0.118 nan 8.230 nan 0.000 0.424 154 P HA 0.254 nan 4.420 nan 0.000 0.270 154 P C -0.915 176.355 177.300 -0.050 0.000 1.223 154 P CA 0.065 63.149 63.100 -0.026 0.000 0.785 154 P CB 0.553 32.247 31.700 -0.010 0.000 0.923 155 I N -2.536 117.969 120.570 -0.108 0.000 2.934 155 I HA 0.914 5.084 4.170 -0.001 0.000 0.306 155 I C -0.433 175.593 176.117 -0.152 0.000 1.110 155 I CA -1.086 60.116 61.300 -0.163 0.000 1.019 155 I CB 2.538 40.319 38.000 -0.366 0.000 1.227 155 I HN 0.348 nan 8.210 nan 0.000 0.434 156 G N 1.126 109.893 108.800 -0.055 0.000 2.612 156 G HA2 0.670 4.630 3.960 -0.001 0.000 0.298 156 G HA3 0.670 4.630 3.960 -0.001 0.000 0.298 156 G C -1.721 173.142 174.900 -0.061 0.000 1.336 156 G CA -0.593 44.550 45.100 0.072 0.000 0.953 156 G HN 0.771 nan 8.290 nan 0.000 0.482 157 S N -0.802 114.702 115.700 -0.327 0.000 2.625 157 S HA 0.513 4.983 4.470 -0.001 0.000 0.271 157 S C -1.277 172.843 174.600 -0.800 0.000 1.161 157 S CA -0.657 57.163 58.200 -0.633 0.000 0.820 157 S CB 1.908 64.969 63.200 -0.232 0.000 1.137 157 S HN 0.717 nan 8.310 nan 0.000 0.470 158 E N 1.784 121.388 120.200 -0.993 0.000 2.283 158 E HA 0.248 4.597 4.350 -0.001 0.000 0.278 158 E C -0.528 175.913 176.600 -0.264 0.000 1.027 158 E CA -0.521 55.558 56.400 -0.534 0.000 0.843 158 E CB 0.492 29.984 29.700 -0.347 0.000 1.062 158 E HN 0.466 nan 8.360 nan 0.000 0.401 159 M N 6.472 125.969 119.600 -0.171 0.000 2.725 159 M HA 0.088 4.568 4.480 -0.001 0.000 0.322 159 M C 0.710 177.023 176.300 0.023 0.000 1.393 159 M CA 0.236 55.501 55.300 -0.057 0.000 1.452 159 M CB -0.436 32.141 32.600 -0.039 0.000 1.242 159 M HN 0.723 nan 8.290 nan 0.000 0.487 160 L N 0.980 122.204 121.223 0.002 0.000 1.989 160 L HA -0.189 4.151 4.340 -0.001 0.000 0.211 160 L C 1.172 178.108 176.870 0.110 0.000 1.071 160 L CA 1.428 56.295 54.840 0.045 0.000 0.749 160 L CB -0.389 41.664 42.059 -0.010 0.000 0.890 160 L HN 0.603 nan 8.230 nan 0.000 0.431 161 D N -3.269 117.134 120.400 0.006 0.000 2.812 161 D HA 0.065 4.704 4.640 -0.001 0.000 0.318 161 D C 0.175 176.403 176.300 -0.120 0.000 1.234 161 D CA 0.238 54.190 54.000 -0.080 0.000 0.989 161 D CB 1.395 42.177 40.800 -0.030 0.000 1.442 161 D HN -0.071 nan 8.370 nan 0.000 0.537 162 T N -2.283 112.197 114.554 -0.124 0.000 3.144 162 T HA 0.271 4.621 4.350 -0.001 0.000 0.249 162 T C 1.455 176.185 174.700 0.050 0.000 1.089 162 T CA 0.076 62.140 62.100 -0.060 0.000 0.989 162 T CB -0.462 68.365 68.868 -0.069 0.000 0.992 162 T HN 0.416 nan 8.240 nan 0.000 0.540 163 I N -0.049 120.555 120.570 0.057 0.000 3.673 163 I HA 0.066 4.236 4.170 -0.001 0.000 0.281 163 I C 2.465 178.701 176.117 0.198 0.000 1.182 163 I CA 0.040 61.414 61.300 0.123 0.000 1.391 163 I CB -0.095 37.981 38.000 0.127 0.000 1.383 163 I HN 0.139 nan 8.210 nan 0.000 0.456 164 S N 2.183 117.959 115.700 0.127 0.000 2.368 164 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 164 S C -0.566 174.146 174.600 0.186 0.000 1.044 164 S CA 1.808 60.080 58.200 0.119 0.000 1.062 164 S CB -1.744 61.458 63.200 0.003 0.000 0.931 164 S HN 0.247 nan 8.310 nan 0.000 0.440 165 P HA -0.164 nan 4.420 nan 0.000 0.218 165 P C 1.511 178.889 177.300 0.130 0.000 1.152 165 P CA 1.218 64.400 63.100 0.136 0.000 0.857 165 P CB -0.125 31.640 31.700 0.108 0.000 0.787 166 Q N -2.167 117.692 119.800 0.099 0.000 2.226 166 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 166 Q C 1.536 177.483 176.000 -0.088 0.000 0.975 166 Q CA 1.411 57.200 55.803 -0.023 0.000 0.866 166 Q CB -0.593 28.076 28.738 -0.115 0.000 0.915 166 Q HN 0.497 nan 8.270 nan 0.000 0.440 167 Y N -0.810 119.482 120.300 -0.013 0.000 2.490 167 Y HA 0.087 4.636 4.550 -0.001 0.000 0.281 167 Y C 1.477 177.352 175.900 -0.042 0.000 1.174 167 Y CA 0.427 58.504 58.100 -0.037 0.000 1.295 167 Y CB 0.521 38.942 38.460 -0.066 0.000 1.062 167 Y HN -0.012 nan 8.280 nan 0.000 0.522 168 L N -3.253 118.051 121.223 0.135 0.000 3.927 168 L HA 0.322 4.661 4.340 -0.001 0.000 0.374 168 L C 1.962 178.967 176.870 0.225 0.000 1.168 168 L CA 0.435 55.361 54.840 0.142 0.000 1.318 168 L CB -0.425 41.663 42.059 0.048 0.000 1.640 168 L HN -0.094 nan 8.230 nan 0.000 0.634 169 A N 1.632 124.583 122.820 0.219 0.000 1.948 169 A HA -0.268 4.052 4.320 -0.001 0.000 0.220 169 A C 1.961 179.715 177.584 0.284 0.000 1.177 169 A CA 2.312 54.545 52.037 0.326 0.000 0.636 169 A CB -0.596 18.568 19.000 0.273 0.000 0.815 169 A HN 0.646 nan 8.150 nan 0.000 0.449 170 D N 0.043 120.551 120.400 0.180 0.000 2.265 170 D HA -0.154 4.486 4.640 -0.001 0.000 0.208 170 D C 1.385 177.765 176.300 0.133 0.000 0.977 170 D CA 1.157 55.241 54.000 0.140 0.000 0.871 170 D CB -0.388 40.466 40.800 0.090 0.000 0.925 170 D HN 0.528 nan 8.370 nan 0.000 0.485 171 L N 0.278 121.591 121.223 0.150 0.000 2.693 171 L HA 0.215 4.554 4.340 -0.001 0.000 0.235 171 L C 0.178 177.056 176.870 0.013 0.000 1.127 171 L CA -0.264 54.646 54.840 0.116 0.000 0.914 171 L CB 1.168 43.350 42.059 0.204 0.000 1.193 171 L HN -0.191 nan 8.230 nan 0.000 0.502 172 V N -0.733 119.156 119.914 -0.041 0.000 2.472 172 V HA 0.230 4.350 4.120 -0.001 0.000 0.290 172 V C 0.828 176.694 176.094 -0.380 0.000 1.037 172 V CA 0.056 62.162 62.300 -0.322 0.000 0.908 172 V CB 1.884 33.358 31.823 -0.580 0.000 0.985 172 V HN 0.100 nan 8.190 nan 0.000 0.454 173 S N 3.161 118.683 115.700 -0.296 0.000 2.497 173 S HA 0.285 4.754 4.470 -0.001 0.000 0.218 173 S C -0.131 174.437 174.600 -0.053 0.000 1.023 173 S CA 0.197 58.338 58.200 -0.098 0.000 0.913 173 S CB 0.246 63.448 63.200 0.003 0.000 0.800 173 S HN 0.620 nan 8.310 nan 0.000 0.505 174 F N 1.215 120.943 119.950 -0.371 0.000 2.569 174 F HA 0.698 5.225 4.527 -0.001 0.000 0.312 174 F C -0.409 175.203 175.800 -0.314 0.000 1.109 174 F CA -0.806 57.076 58.000 -0.197 0.000 0.919 174 F CB 1.147 40.135 39.000 -0.020 0.000 1.211 174 F HN -0.032 nan 8.300 nan 0.000 0.446 175 G N 3.149 111.255 108.800 -1.157 0.000 2.461 175 G HA2 0.699 4.658 3.960 -0.001 0.000 0.323 175 G HA3 0.699 4.658 3.960 -0.001 0.000 0.323 175 G C -1.882 172.266 174.900 -1.253 0.000 1.229 175 G CA -0.724 43.811 45.100 -0.941 0.000 0.941 175 G HN 1.047 nan 8.290 nan 0.000 0.477 176 A N 2.922 125.243 122.820 -0.832 0.000 2.311 176 A HA 0.635 4.954 4.320 -0.001 0.000 0.306 176 A C -0.328 177.087 177.584 -0.282 0.000 1.189 176 A CA -0.577 51.184 52.037 -0.459 0.000 0.791 176 A CB 0.689 19.674 19.000 -0.025 0.000 1.172 176 A HN 0.556 nan 8.150 nan 0.000 0.481 177 I N 3.142 123.514 120.570 -0.330 0.000 2.352 177 I HA 0.238 4.407 4.170 -0.001 0.000 0.290 177 I C 1.279 177.353 176.117 -0.071 0.000 1.036 177 I CA 0.198 61.380 61.300 -0.198 0.000 1.336 177 I CB 0.446 38.310 38.000 -0.226 0.000 1.407 177 I HN 0.734 nan 8.210 nan 0.000 0.497 178 G N 4.240 113.006 108.800 -0.058 0.000 2.667 178 G HA2 0.299 4.259 3.960 -0.001 0.000 0.250 178 G HA3 0.299 4.259 3.960 -0.001 0.000 0.250 178 G C 0.996 175.881 174.900 -0.025 0.000 1.212 178 G CA 0.183 45.264 45.100 -0.032 0.000 0.874 178 G HN 0.770 nan 8.290 nan 0.000 0.561 179 A N 0.283 123.090 122.820 -0.021 0.000 1.908 179 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 179 A C 2.366 179.932 177.584 -0.030 0.000 1.181 179 A CA 1.484 53.516 52.037 -0.008 0.000 0.627 179 A CB -0.282 18.714 19.000 -0.007 0.000 0.818 179 A HN 0.641 nan 8.150 nan 0.000 0.445 180 R N -0.708 119.759 120.500 -0.056 0.000 2.316 180 R HA -0.029 4.310 4.340 -0.001 0.000 0.202 180 R C 1.128 177.359 176.300 -0.116 0.000 1.029 180 R CA 1.396 57.455 56.100 -0.069 0.000 1.018 180 R CB -0.121 30.140 30.300 -0.065 0.000 0.888 180 R HN 0.732 nan 8.270 nan 0.000 0.471 181 T N -5.317 109.141 114.554 -0.161 0.000 3.004 181 T HA 0.091 4.440 4.350 -0.001 0.000 0.266 181 T C 1.502 176.115 174.700 -0.145 0.000 0.986 181 T CA -0.174 61.751 62.100 -0.291 0.000 0.902 181 T CB 0.557 68.972 68.868 -0.755 0.000 1.118 181 T HN -0.136 nan 8.240 nan 0.000 0.522 182 T N 2.773 117.316 114.554 -0.018 0.000 2.822 182 T HA -0.108 4.242 4.350 -0.001 0.000 0.270 182 T C 1.609 176.289 174.700 -0.032 0.000 1.064 182 T CA 1.555 63.705 62.100 0.083 0.000 1.131 182 T CB -0.240 68.684 68.868 0.094 0.000 0.858 182 T HN 0.555 nan 8.240 nan 0.000 0.483 183 E N 0.622 120.794 120.200 -0.047 0.000 2.385 183 E HA 0.095 4.445 4.350 -0.001 0.000 0.194 183 E C 0.852 177.424 176.600 -0.046 0.000 1.013 183 E CA -0.220 56.144 56.400 -0.059 0.000 0.866 183 E CB 0.194 29.867 29.700 -0.046 0.000 0.832 183 E HN 0.183 nan 8.360 nan 0.000 0.500 184 S N 1.289 116.974 115.700 -0.024 0.000 2.509 184 S HA -0.069 4.401 4.470 -0.001 0.000 0.287 184 S C 1.004 175.620 174.600 0.028 0.000 1.248 184 S CA -0.271 57.947 58.200 0.030 0.000 1.089 184 S CB 0.874 64.145 63.200 0.118 0.000 0.900 184 S HN 0.102 nan 8.310 nan 0.000 0.496 185 Q N 4.708 124.494 119.800 -0.024 0.000 2.112 185 Q HA -0.133 4.207 4.340 -0.001 0.000 0.206 185 Q C 1.665 177.588 176.000 -0.129 0.000 0.987 185 Q CA 2.013 57.765 55.803 -0.085 0.000 0.858 185 Q CB -0.544 28.150 28.738 -0.073 0.000 0.905 185 Q HN 0.810 nan 8.270 nan 0.000 0.420 186 L N -0.273 120.897 121.223 -0.089 0.000 2.042 186 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 186 L C 1.731 178.410 176.870 -0.318 0.000 1.076 186 L CA 2.165 56.878 54.840 -0.211 0.000 0.749 186 L CB -0.615 41.349 42.059 -0.158 0.000 0.893 186 L HN 0.386 nan 8.230 nan 0.000 0.432 187 H N -1.563 117.419 119.070 -0.147 0.000 2.529 187 H HA 0.087 4.643 4.556 -0.001 0.000 0.277 187 H C 2.219 177.529 175.328 -0.031 0.000 0.999 187 H CA 0.839 56.831 56.048 -0.094 0.000 1.256 187 H CB 0.053 29.808 29.762 -0.012 0.000 1.402 187 H HN 0.282 nan 8.280 nan 0.000 0.566 188 R N 0.362 120.877 120.500 0.025 0.000 2.093 188 R HA -0.037 4.303 4.340 -0.001 0.000 0.224 188 R C 1.769 177.986 176.300 -0.139 0.000 1.101 188 R CA 1.080 57.185 56.100 0.009 0.000 0.979 188 R CB 0.104 30.324 30.300 -0.134 0.000 0.877 188 R HN 0.475 nan 8.270 nan 0.000 0.441 189 E N 0.844 120.821 120.200 -0.372 0.000 2.072 189 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 189 E C 1.947 178.331 176.600 -0.359 0.000 0.985 189 E CA 0.927 57.052 56.400 -0.458 0.000 0.801 189 E CB -0.123 29.245 29.700 -0.554 0.000 0.750 189 E HN 0.108 nan 8.360 nan 0.000 0.452 190 L N 1.201 122.111 121.223 -0.522 0.000 2.042 190 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 190 L C 2.251 179.052 176.870 -0.115 0.000 1.076 190 L CA 2.050 56.652 54.840 -0.396 0.000 0.749 190 L CB -0.505 41.324 42.059 -0.383 0.000 0.893 190 L HN 0.035 nan 8.230 nan 0.000 0.432 191 A N -0.764 122.026 122.820 -0.050 0.000 1.972 191 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 191 A C 2.403 180.007 177.584 0.033 0.000 1.169 191 A CA 1.656 53.687 52.037 -0.010 0.000 0.635 191 A CB -1.134 17.929 19.000 0.104 0.000 0.810 191 A HN 0.684 nan 8.150 nan 0.000 0.446 192 S N -1.149 114.618 115.700 0.112 0.000 2.547 192 S HA 0.173 4.642 4.470 -0.001 0.000 0.235 192 S C 1.289 175.962 174.600 0.122 0.000 0.980 192 S CA 1.061 59.363 58.200 0.169 0.000 0.941 192 S CB -0.311 63.105 63.200 0.360 0.000 0.763 192 S HN 0.765 nan 8.310 nan 0.000 0.532 193 G N 0.303 109.155 108.800 0.088 0.000 3.695 193 G HA2 0.441 4.400 3.960 -0.001 0.000 0.277 193 G HA3 0.441 4.400 3.960 -0.001 0.000 0.277 193 G C -0.013 174.845 174.900 -0.071 0.000 1.001 193 G CA -0.492 44.645 45.100 0.062 0.000 0.837 193 G HN 0.410 nan 8.290 nan 0.000 0.492 194 L N 1.081 122.183 121.223 -0.202 0.000 2.375 194 L HA 0.276 4.616 4.340 -0.001 0.000 0.271 194 L C 0.898 177.427 176.870 -0.568 0.000 1.107 194 L CA -0.461 54.070 54.840 -0.514 0.000 0.806 194 L CB 1.730 43.309 42.059 -0.800 0.000 1.146 194 L HN -0.037 nan 8.230 nan 0.000 0.447 195 S N 2.437 117.742 115.700 -0.659 0.000 2.763 195 S HA 0.260 4.730 4.470 -0.001 0.000 0.237 195 S C -0.494 174.027 174.600 -0.132 0.000 0.966 195 S CA -0.183 57.846 58.200 -0.285 0.000 1.017 195 S CB -0.832 62.330 63.200 -0.064 0.000 0.780 195 S HN 0.450 nan 8.310 nan 0.000 0.476 196 F N -2.345 117.656 119.950 0.085 0.000 2.779 196 F HA 0.638 5.165 4.527 -0.001 0.000 0.316 196 F C -3.545 172.351 175.800 0.159 0.000 1.164 196 F CA -3.310 54.767 58.000 0.129 0.000 0.924 196 F CB -0.143 38.912 39.000 0.092 0.000 1.348 196 F HN -0.331 nan 8.300 nan 0.000 0.467 197 P HA 0.337 nan 4.420 nan 0.000 0.268 197 P C -1.037 176.501 177.300 0.398 0.000 1.205 197 P CA -0.181 63.229 63.100 0.517 0.000 0.771 197 P CB 1.161 33.220 31.700 0.598 0.000 0.858 198 V N 3.095 123.095 119.914 0.143 0.000 2.540 198 V HA 0.641 4.761 4.120 -0.001 0.000 0.302 198 V C 0.602 176.309 176.094 -0.644 0.000 1.035 198 V CA -0.499 61.644 62.300 -0.261 0.000 0.873 198 V CB 1.924 33.529 31.823 -0.363 0.000 0.992 198 V HN 0.696 nan 8.190 nan 0.000 0.428 199 G N 3.230 111.581 108.800 -0.749 0.000 2.335 199 G HA2 0.633 4.593 3.960 -0.001 0.000 0.316 199 G HA3 0.633 4.593 3.960 -0.001 0.000 0.316 199 G C -1.161 173.415 174.900 -0.541 0.000 1.129 199 G CA -0.265 44.276 45.100 -0.933 0.000 0.899 199 G HN 0.405 nan 8.290 nan 0.000 0.448 200 F N 2.074 121.890 119.950 -0.224 0.000 2.385 200 F HA 0.360 4.886 4.527 -0.001 0.000 0.360 200 F C 1.050 176.836 175.800 -0.023 0.000 1.122 200 F CA -0.593 57.354 58.000 -0.088 0.000 1.090 200 F CB 1.705 40.669 39.000 -0.061 0.000 1.150 200 F HN 0.180 nan 8.300 nan 0.000 0.472 201 K N 3.606 124.103 120.400 0.162 0.000 2.258 201 K HA 0.132 4.451 4.320 -0.001 0.000 0.264 201 K C 0.366 177.038 176.600 0.120 0.000 1.007 201 K CA -0.613 55.753 56.287 0.132 0.000 0.941 201 K CB 0.608 33.165 32.500 0.094 0.000 0.966 201 K HN 0.684 nan 8.250 nan 0.000 0.480 202 N N 0.106 118.868 118.700 0.103 0.000 2.354 202 N HA 0.015 4.754 4.740 -0.001 0.000 0.246 202 N C 0.313 175.854 175.510 0.052 0.000 1.285 202 N CA -0.490 52.605 53.050 0.075 0.000 0.925 202 N CB 0.295 38.826 38.487 0.074 0.000 1.174 202 N HN 0.536 nan 8.380 nan 0.000 0.478 203 G N -0.905 107.915 108.800 0.033 0.000 2.630 203 G HA2 0.034 3.993 3.960 -0.001 0.000 0.236 203 G HA3 0.034 3.993 3.960 -0.001 0.000 0.236 203 G C 1.215 176.129 174.900 0.023 0.000 1.248 203 G CA 0.123 45.234 45.100 0.019 0.000 0.844 203 G HN 0.732 nan 8.290 nan 0.000 0.588 204 T N -1.630 112.932 114.554 0.014 0.000 3.051 204 T HA -0.106 4.243 4.350 -0.001 0.000 0.269 204 T C 1.301 176.013 174.700 0.020 0.000 1.127 204 T CA 1.322 63.432 62.100 0.017 0.000 1.107 204 T CB -0.047 68.826 68.868 0.008 0.000 0.898 204 T HN 0.583 nan 8.240 nan 0.000 0.517 205 D N 0.674 121.083 120.400 0.016 0.000 2.325 205 D HA 0.255 4.895 4.640 -0.001 0.000 0.225 205 D C 1.595 177.906 176.300 0.018 0.000 1.096 205 D CA 0.291 54.300 54.000 0.014 0.000 0.844 205 D CB -0.690 40.115 40.800 0.008 0.000 0.925 205 D HN 0.497 nan 8.370 nan 0.000 0.513 206 G N 0.008 108.823 108.800 0.025 0.000 2.179 206 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 206 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 206 G C 0.464 175.380 174.900 0.026 0.000 0.977 206 G CA 0.541 45.658 45.100 0.029 0.000 0.641 206 G HN 0.591 nan 8.290 nan 0.000 0.533 207 T N -0.007 114.560 114.554 0.022 0.000 2.899 207 T HA 0.677 5.027 4.350 -0.001 0.000 0.284 207 T C 1.570 176.286 174.700 0.026 0.000 1.004 207 T CA -0.224 61.888 62.100 0.019 0.000 1.043 207 T CB 1.819 70.694 68.868 0.010 0.000 1.013 207 T HN 0.172 nan 8.240 nan 0.000 0.518 208 L N 0.521 121.760 121.223 0.027 0.000 2.609 208 L HA 0.144 4.484 4.340 -0.001 0.000 0.230 208 L C 1.878 178.759 176.870 0.019 0.000 1.087 208 L CA -0.036 54.825 54.840 0.034 0.000 0.874 208 L CB -0.586 41.501 42.059 0.046 0.000 1.114 208 L HN 0.509 nan 8.230 nan 0.000 0.488 209 N N 1.394 120.099 118.700 0.008 0.000 2.060 209 N HA -0.218 4.522 4.740 -0.001 0.000 0.195 209 N C 1.945 177.441 175.510 -0.024 0.000 1.028 209 N CA 1.973 55.020 53.050 -0.005 0.000 0.861 209 N CB -0.779 37.704 38.487 -0.006 0.000 1.029 209 N HN 0.317 nan 8.380 nan 0.000 0.428 210 V N -1.925 117.972 119.914 -0.028 0.000 2.407 210 V HA -0.070 4.049 4.120 -0.001 0.000 0.248 210 V C 2.096 178.135 176.094 -0.093 0.000 1.055 210 V CA 1.828 64.094 62.300 -0.055 0.000 1.049 210 V CB -1.259 30.540 31.823 -0.040 0.000 0.662 210 V HN 0.321 nan 8.190 nan 0.000 0.455 211 A N 0.052 122.844 122.820 -0.046 0.000 1.968 211 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 211 A C 2.337 179.873 177.584 -0.081 0.000 1.169 211 A CA 1.713 53.723 52.037 -0.046 0.000 0.638 211 A CB -0.641 18.402 19.000 0.071 0.000 0.812 211 A HN 0.427 nan 8.150 nan 0.000 0.446 212 V N 0.755 120.648 119.914 -0.034 0.000 2.358 212 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 212 V C 2.041 178.095 176.094 -0.066 0.000 1.047 212 V CA 2.185 64.475 62.300 -0.016 0.000 1.035 212 V CB -0.697 31.132 31.823 0.011 0.000 0.658 212 V HN 0.511 nan 8.190 nan 0.000 0.452 213 D N 0.597 120.941 120.400 -0.095 0.000 2.144 213 D HA -0.114 4.526 4.640 -0.001 0.000 0.199 213 D C 2.234 178.412 176.300 -0.203 0.000 0.984 213 D CA 1.538 55.471 54.000 -0.111 0.000 0.834 213 D CB -0.297 40.444 40.800 -0.099 0.000 0.955 213 D HN 0.444 nan 8.370 nan 0.000 0.465 214 A N 0.713 123.308 122.820 -0.375 0.000 1.883 214 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 214 A C 2.570 179.751 177.584 -0.671 0.000 1.186 214 A CA 1.433 53.009 52.037 -0.767 0.000 0.624 214 A CB -1.020 17.066 19.000 -1.523 0.000 0.822 214 A HN 0.349 nan 8.150 nan 0.000 0.444 215 C N -0.689 118.370 119.300 -0.402 0.000 2.429 215 C HA -0.115 4.345 4.460 -0.001 0.000 0.277 215 C C 2.936 177.953 174.990 0.046 0.000 1.262 215 C CA 1.105 60.110 59.018 -0.022 0.000 1.733 215 C CB -1.196 26.608 27.740 0.105 0.000 2.010 215 C HN 0.616 nan 8.230 nan 0.000 0.483 216 Q N 0.861 120.669 119.800 0.014 0.000 2.050 216 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 216 Q C 2.565 178.656 176.000 0.152 0.000 0.980 216 Q CA 1.949 57.804 55.803 0.087 0.000 0.840 216 Q CB -0.724 28.042 28.738 0.048 0.000 0.898 216 Q HN 0.741 nan 8.270 nan 0.000 0.424 217 A N 1.417 124.267 122.820 0.050 0.000 1.877 217 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 217 A C 2.336 180.099 177.584 0.298 0.000 1.186 217 A CA 1.773 53.876 52.037 0.111 0.000 0.620 217 A CB -0.723 18.271 19.000 -0.010 0.000 0.822 217 A HN 0.375 nan 8.150 nan 0.000 0.443 218 A N -0.518 122.415 122.820 0.189 0.000 2.178 218 A HA 0.241 4.561 4.320 -0.001 0.000 0.218 218 A C 2.192 179.924 177.584 0.246 0.000 1.157 218 A CA 1.662 53.856 52.037 0.262 0.000 0.689 218 A CB -0.657 18.541 19.000 0.330 0.000 0.787 218 A HN 1.004 nan 8.150 nan 0.000 0.465 219 A N -1.153 121.806 122.820 0.231 0.000 2.123 219 A HA 0.210 4.530 4.320 -0.001 0.000 0.214 219 A C 0.952 178.566 177.584 0.050 0.000 1.152 219 A CA 0.370 52.483 52.037 0.128 0.000 0.728 219 A CB -0.318 18.738 19.000 0.094 0.000 0.814 219 A HN 0.596 nan 8.150 nan 0.000 0.464 220 H N -0.819 118.258 119.070 0.013 0.000 2.505 220 H HA 0.483 5.038 4.556 -0.001 0.000 0.358 220 H C 0.443 175.641 175.328 -0.216 0.000 1.304 220 H CA 0.166 56.140 56.048 -0.123 0.000 1.393 220 H CB 0.726 30.361 29.762 -0.212 0.000 1.591 220 H HN 0.150 nan 8.280 nan 0.000 0.595 221 S N 0.805 116.425 115.700 -0.133 0.000 2.537 221 S HA 0.221 4.690 4.470 -0.001 0.000 0.275 221 S C -0.914 173.512 174.600 -0.290 0.000 1.272 221 S CA -0.550 57.583 58.200 -0.111 0.000 1.050 221 S CB -0.041 63.130 63.200 -0.049 0.000 0.961 221 S HN 0.523 nan 8.310 nan 0.000 0.496 222 H N 2.485 121.675 119.070 0.199 0.000 2.797 222 H HA 0.363 4.918 4.556 -0.001 0.000 0.372 222 H C -0.864 174.683 175.328 0.366 0.000 1.168 222 H CA -0.582 55.614 56.048 0.248 0.000 1.163 222 H CB 1.455 31.376 29.762 0.265 0.000 1.778 222 H HN 0.728 nan 8.280 nan 0.000 0.551 223 H N 2.225 121.461 119.070 0.276 0.000 2.792 223 H HA 0.190 4.746 4.556 -0.001 0.000 0.298 223 H C -0.708 174.738 175.328 0.197 0.000 1.042 223 H CA -0.389 55.737 56.048 0.129 0.000 1.300 223 H CB 0.634 30.435 29.762 0.065 0.000 1.431 223 H HN 0.384 nan 8.280 nan 0.000 0.496 224 F N 0.650 120.641 119.950 0.069 0.000 2.740 224 F HA 0.655 5.182 4.527 -0.001 0.000 0.357 224 F C -1.009 174.778 175.800 -0.021 0.000 1.141 224 F CA -1.540 56.474 58.000 0.024 0.000 1.044 224 F CB 1.336 40.341 39.000 0.008 0.000 1.430 224 F HN 0.063 nan 8.300 nan 0.000 0.518 225 M N 1.915 121.668 119.600 0.254 0.000 2.167 225 M HA 0.635 5.115 4.480 -0.001 0.000 0.333 225 M C -0.297 176.123 176.300 0.200 0.000 1.030 225 M CA -0.106 55.248 55.300 0.090 0.000 0.963 225 M CB 1.252 33.897 32.600 0.075 0.000 1.589 225 M HN 1.062 nan 8.290 nan 0.000 0.431 226 S N 2.150 117.882 115.700 0.053 0.000 2.903 226 S HA 0.891 5.361 4.470 -0.001 0.000 0.314 226 S C -0.696 173.919 174.600 0.024 0.000 1.177 226 S CA -0.740 57.526 58.200 0.111 0.000 0.859 226 S CB 1.153 64.461 63.200 0.181 0.000 1.265 226 S HN 0.659 nan 8.310 nan 0.000 0.584 227 V N 0.298 120.229 119.914 0.029 0.000 2.769 227 V HA 0.898 5.017 4.120 -0.001 0.000 0.312 227 V C 0.333 176.409 176.094 -0.030 0.000 1.058 227 V CA 0.273 62.575 62.300 0.003 0.000 0.952 227 V CB 0.842 32.680 31.823 0.026 0.000 1.019 227 V HN 1.328 nan 8.190 nan 0.000 0.445 228 T N 1.224 115.756 114.554 -0.037 0.000 2.732 228 T HA 0.340 4.690 4.350 -0.001 0.000 0.287 228 T C 0.956 175.600 174.700 -0.094 0.000 0.993 228 T CA -0.325 61.743 62.100 -0.053 0.000 0.966 228 T CB 0.486 69.344 68.868 -0.017 0.000 1.047 228 T HN 0.711 nan 8.240 nan 0.000 0.527 229 K N -0.141 120.176 120.400 -0.138 0.000 2.280 229 K HA -0.093 4.227 4.320 -0.001 0.000 0.202 229 K C 1.562 177.971 176.600 -0.319 0.000 1.047 229 K CA 1.110 57.243 56.287 -0.256 0.000 0.942 229 K CB -0.363 31.963 32.500 -0.290 0.000 0.739 229 K HN 0.612 nan 8.250 nan 0.000 0.457 230 H N -0.571 118.447 119.070 -0.087 0.000 2.524 230 H HA 0.106 4.661 4.556 -0.001 0.000 0.280 230 H C 0.902 176.198 175.328 -0.054 0.000 1.018 230 H CA 0.701 56.709 56.048 -0.066 0.000 1.165 230 H CB 0.394 30.127 29.762 -0.049 0.000 1.411 230 H HN 0.382 nan 8.280 nan 0.000 0.569 231 G N 0.961 109.770 108.800 0.014 0.000 2.143 231 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.248 231 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.248 231 G C 0.142 175.061 174.900 0.032 0.000 0.991 231 G CA 0.487 45.602 45.100 0.025 0.000 0.689 231 G HN 0.234 nan 8.290 nan 0.000 0.522 232 V N 0.328 120.258 119.914 0.028 0.000 2.630 232 V HA 0.829 4.949 4.120 -0.001 0.000 0.305 232 V C 0.880 176.974 176.094 -0.000 0.000 1.046 232 V CA -0.548 61.759 62.300 0.012 0.000 0.934 232 V CB 1.730 33.557 31.823 0.008 0.000 1.003 232 V HN 1.123 nan 8.190 nan 0.000 0.451 233 A N 2.861 125.678 122.820 -0.005 0.000 2.440 233 A HA 0.800 5.119 4.320 -0.001 0.000 0.251 233 A C 0.249 177.815 177.584 -0.030 0.000 1.089 233 A CA 0.446 52.478 52.037 -0.009 0.000 0.779 233 A CB 0.211 19.209 19.000 -0.003 0.000 1.022 233 A HN 1.626 nan 8.150 nan 0.000 0.492 234 A N 1.972 124.762 122.820 -0.051 0.000 2.609 234 A HA 0.663 4.982 4.320 -0.001 0.000 0.291 234 A C -0.728 176.777 177.584 -0.132 0.000 1.096 234 A CA -0.627 51.361 52.037 -0.083 0.000 0.684 234 A CB 0.676 19.623 19.000 -0.089 0.000 1.282 234 A HN 0.750 nan 8.150 nan 0.000 0.412 235 I N 2.239 122.714 120.570 -0.158 0.000 2.308 235 I HA 0.224 4.394 4.170 -0.001 0.000 0.293 235 I C 0.149 176.048 176.117 -0.363 0.000 1.078 235 I CA 0.147 61.307 61.300 -0.233 0.000 1.292 235 I CB 0.903 38.782 38.000 -0.202 0.000 1.423 235 I HN 0.561 nan 8.210 nan 0.000 0.493 236 T N 4.430 118.670 114.554 -0.523 0.000 2.909 236 T HA 0.320 4.670 4.350 -0.001 0.000 0.289 236 T C 0.186 174.512 174.700 -0.622 0.000 1.005 236 T CA -0.296 61.419 62.100 -0.642 0.000 1.084 236 T CB 1.092 69.321 68.868 -1.064 0.000 0.975 236 T HN 0.487 nan 8.240 nan 0.000 0.509 237 T N 2.708 117.022 114.554 -0.399 0.000 2.890 237 T HA 0.494 4.843 4.350 -0.001 0.000 0.295 237 T C 0.329 175.011 174.700 -0.031 0.000 0.993 237 T CA -0.909 61.087 62.100 -0.174 0.000 0.979 237 T CB 1.076 69.876 68.868 -0.114 0.000 0.967 237 T HN 0.773 nan 8.240 nan 0.000 0.441 238 T N 0.164 114.774 114.554 0.095 0.000 2.918 238 T HA 0.450 4.800 4.350 -0.001 0.000 0.283 238 T C 1.134 175.880 174.700 0.076 0.000 1.001 238 T CA -0.884 61.282 62.100 0.111 0.000 1.041 238 T CB 1.922 70.932 68.868 0.237 0.000 1.028 238 T HN 0.522 nan 8.240 nan 0.000 0.511 239 K N 0.433 120.858 120.400 0.042 0.000 2.262 239 K HA 0.345 4.664 4.320 -0.001 0.000 0.200 239 K C 0.780 177.381 176.600 0.000 0.000 1.049 239 K CA 0.610 56.903 56.287 0.009 0.000 0.979 239 K CB -0.439 32.054 32.500 -0.011 0.000 0.773 239 K HN 1.160 nan 8.250 nan 0.000 0.474 240 G N 1.040 109.857 108.800 0.029 0.000 2.770 240 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 240 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 240 G C -1.732 173.168 174.900 0.000 0.000 1.180 240 G CA -0.728 44.390 45.100 0.030 0.000 0.767 240 G HN 0.248 nan 8.290 nan 0.000 0.646 241 N N 0.931 119.648 118.700 0.029 0.000 2.443 241 N HA 0.358 5.098 4.740 -0.001 0.000 0.269 241 N C 1.110 176.618 175.510 -0.003 0.000 0.985 241 N CA -0.344 52.696 53.050 -0.017 0.000 0.921 241 N CB 1.462 39.964 38.487 0.026 0.000 1.195 241 N HN 0.718 nan 8.380 nan 0.000 0.492 242 E N 2.777 122.905 120.200 -0.121 0.000 2.465 242 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 242 E C -0.469 176.225 176.600 0.157 0.000 1.053 242 E CA 0.390 56.778 56.400 -0.020 0.000 0.869 242 E CB -0.448 29.220 29.700 -0.052 0.000 0.977 242 E HN 0.652 nan 8.360 nan 0.000 0.483 243 H N 0.080 119.245 119.070 0.158 0.000 2.533 243 H HA 0.339 4.895 4.556 -0.001 0.000 0.281 243 H C -0.659 174.853 175.328 0.307 0.000 1.238 243 H CA -0.804 55.378 56.048 0.223 0.000 1.024 243 H CB 0.091 29.977 29.762 0.205 0.000 1.604 243 H HN 0.073 nan 8.280 nan 0.000 0.531 244 C N 2.126 121.658 119.300 0.387 0.000 2.303 244 C HA 0.439 4.899 4.460 -0.001 0.000 0.326 244 C C -0.041 175.192 174.990 0.405 0.000 1.285 244 C CA -0.859 58.354 59.018 0.325 0.000 1.675 244 C CB -1.115 26.844 27.740 0.365 0.000 2.289 244 C HN 0.563 nan 8.230 nan 0.000 0.512 245 F N 1.189 121.302 119.950 0.271 0.000 2.654 245 F HA 0.896 5.422 4.527 -0.001 0.000 0.334 245 F C -0.642 175.314 175.800 0.259 0.000 1.078 245 F CA -1.464 56.673 58.000 0.229 0.000 0.986 245 F CB 0.204 39.309 39.000 0.175 0.000 1.362 245 F HN 0.199 nan 8.300 nan 0.000 0.498 246 V N 2.237 122.387 119.914 0.395 0.000 2.539 246 V HA 0.428 4.547 4.120 -0.001 0.000 0.292 246 V C -0.054 176.233 176.094 0.321 0.000 1.045 246 V CA -0.689 61.776 62.300 0.275 0.000 0.945 246 V CB 1.543 33.493 31.823 0.211 0.000 0.993 246 V HN 0.605 nan 8.190 nan 0.000 0.464 247 I N 5.123 125.834 120.570 0.236 0.000 2.406 247 I HA 0.409 4.579 4.170 -0.001 0.000 0.290 247 I C -0.641 175.590 176.117 0.190 0.000 0.999 247 I CA -0.480 60.965 61.300 0.240 0.000 1.124 247 I CB 1.723 39.855 38.000 0.220 0.000 1.289 247 I HN 0.330 nan 8.210 nan 0.000 0.441 248 L N 7.092 128.428 121.223 0.188 0.000 2.265 248 L HA 0.411 4.750 4.340 -0.001 0.000 0.288 248 L C 0.356 177.337 176.870 0.185 0.000 1.058 248 L CA -0.422 54.518 54.840 0.166 0.000 0.809 248 L CB 0.633 42.787 42.059 0.159 0.000 1.179 248 L HN 0.684 nan 8.230 nan 0.000 0.429 249 R N 1.327 121.928 120.500 0.169 0.000 2.592 249 R HA 0.512 4.851 4.340 -0.001 0.000 0.439 249 R C 0.273 176.676 176.300 0.172 0.000 0.995 249 R CA -0.116 56.098 56.100 0.191 0.000 1.141 249 R CB 0.211 30.626 30.300 0.192 0.000 1.495 249 R HN 0.655 nan 8.270 nan 0.000 0.579 250 G N -0.792 108.094 108.800 0.143 0.000 2.632 250 G HA2 0.260 4.220 3.960 -0.001 0.000 0.224 250 G HA3 0.260 4.220 3.960 -0.001 0.000 0.224 250 G C 0.135 175.085 174.900 0.084 0.000 1.341 250 G CA -0.143 45.025 45.100 0.114 0.000 0.880 250 G HN 1.146 nan 8.290 nan 0.000 0.566 251 G N -2.234 106.607 108.800 0.068 0.000 2.351 251 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 251 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 251 G C 0.389 175.311 174.900 0.038 0.000 1.297 251 G CA 0.508 45.638 45.100 0.051 0.000 0.886 251 G HN 0.946 nan 8.290 nan 0.000 0.493 252 K N 0.172 120.589 120.400 0.028 0.000 2.155 252 K HA 0.104 4.424 4.320 -0.001 0.000 0.203 252 K C 2.563 179.172 176.600 0.015 0.000 1.052 252 K CA 1.589 57.888 56.287 0.021 0.000 0.948 252 K CB -0.184 32.326 32.500 0.016 0.000 0.728 252 K HN 0.543 nan 8.250 nan 0.000 0.448 253 K N 1.728 122.136 120.400 0.013 0.000 2.611 253 K HA 0.086 4.406 4.320 -0.001 0.000 0.193 253 K C 0.576 177.176 176.600 0.000 0.000 1.026 253 K CA 0.844 57.134 56.287 0.006 0.000 1.063 253 K CB -1.157 31.346 32.500 0.005 0.000 0.839 253 K HN 0.484 nan 8.250 nan 0.000 0.505 254 G N -0.574 108.230 108.800 0.008 0.000 2.712 254 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.683 254 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.683 254 G C 0.125 175.026 174.900 0.001 0.000 1.320 254 G CA -0.129 44.972 45.100 0.002 0.000 0.847 254 G HN 1.251 nan 8.290 nan 0.000 0.553 255 T N -1.428 113.120 114.554 -0.010 0.000 2.932 255 T HA 0.422 4.772 4.350 -0.001 0.000 0.312 255 T C 0.859 175.483 174.700 -0.125 0.000 1.071 255 T CA 0.637 62.729 62.100 -0.012 0.000 1.128 255 T CB 1.062 69.933 68.868 0.006 0.000 0.984 255 T HN 1.884 nan 8.240 nan 0.000 0.549 256 N N 0.438 119.100 118.700 -0.064 0.000 2.517 256 N HA 0.078 4.818 4.740 -0.001 0.000 0.285 256 N C 0.050 175.543 175.510 -0.027 0.000 1.528 256 N CA -0.845 52.156 53.050 -0.083 0.000 0.892 256 N CB -0.520 37.971 38.487 0.006 0.000 1.356 256 N HN 0.860 nan 8.380 nan 0.000 0.495 257 Y N -0.721 119.600 120.300 0.036 0.000 2.503 257 Y HA 0.297 4.847 4.550 -0.001 0.000 0.278 257 Y C 0.193 176.101 175.900 0.014 0.000 1.111 257 Y CA -0.943 57.178 58.100 0.035 0.000 1.270 257 Y CB -0.577 37.891 38.460 0.014 0.000 1.063 257 Y HN 0.032 nan 8.280 nan 0.000 0.548 258 D N 1.189 121.431 120.400 -0.264 0.000 2.362 258 D HA 0.188 4.827 4.640 -0.001 0.000 0.238 258 D C 1.643 177.926 176.300 -0.028 0.000 1.212 258 D CA 0.377 54.315 54.000 -0.103 0.000 0.902 258 D CB 1.022 41.684 40.800 -0.230 0.000 1.180 258 D HN 0.261 nan 8.370 nan 0.000 0.445 259 A N 0.911 123.730 122.820 -0.002 0.000 1.908 259 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 259 A C 2.038 179.618 177.584 -0.007 0.000 1.181 259 A CA 2.091 54.131 52.037 0.006 0.000 0.627 259 A CB -0.910 18.095 19.000 0.008 0.000 0.818 259 A HN 0.734 nan 8.150 nan 0.000 0.445 260 K N -0.273 120.112 120.400 -0.026 0.000 2.026 260 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 260 K C 2.195 178.781 176.600 -0.023 0.000 1.048 260 K CA 1.665 57.938 56.287 -0.025 0.000 0.929 260 K CB -0.228 32.251 32.500 -0.035 0.000 0.713 260 K HN 0.416 nan 8.250 nan 0.000 0.439 261 S N 0.489 116.164 115.700 -0.041 0.000 2.382 261 S HA -0.111 4.358 4.470 -0.001 0.000 0.228 261 S C 1.894 176.497 174.600 0.004 0.000 1.027 261 S CA 1.312 59.495 58.200 -0.030 0.000 0.991 261 S CB -0.129 63.033 63.200 -0.063 0.000 0.823 261 S HN 0.147 nan 8.310 nan 0.000 0.469 262 V N 1.714 121.637 119.914 0.015 0.000 2.626 262 V HA -0.140 3.979 4.120 -0.001 0.000 0.252 262 V C 2.493 178.606 176.094 0.032 0.000 1.067 262 V CA 1.484 63.807 62.300 0.038 0.000 1.081 262 V CB -1.073 30.779 31.823 0.048 0.000 0.686 262 V HN 0.534 nan 8.190 nan 0.000 0.468 263 A N -0.216 122.616 122.820 0.020 0.000 1.872 263 A HA -0.181 4.138 4.320 -0.001 0.000 0.214 263 A C 2.154 179.750 177.584 0.020 0.000 1.187 263 A CA 1.516 53.565 52.037 0.019 0.000 0.614 263 A CB -0.395 18.612 19.000 0.011 0.000 0.826 263 A HN 0.566 nan 8.150 nan 0.000 0.442 264 E N 0.004 120.213 120.200 0.015 0.000 2.058 264 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 264 E C 2.311 178.926 176.600 0.025 0.000 0.997 264 E CA 1.141 57.550 56.400 0.016 0.000 0.801 264 E CB -0.319 29.387 29.700 0.009 0.000 0.746 264 E HN 0.613 nan 8.360 nan 0.000 0.450 265 A N 1.726 124.566 122.820 0.033 0.000 1.845 265 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 265 A C 2.017 179.631 177.584 0.049 0.000 1.195 265 A CA 1.355 53.420 52.037 0.048 0.000 0.616 265 A CB -0.367 18.670 19.000 0.062 0.000 0.832 265 A HN -0.003 nan 8.150 nan 0.000 0.443 266 K N -0.412 120.016 120.400 0.046 0.000 2.127 266 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 266 K C 2.197 178.820 176.600 0.038 0.000 1.047 266 K CA 1.407 57.720 56.287 0.044 0.000 0.927 266 K CB -0.430 32.092 32.500 0.037 0.000 0.716 266 K HN 0.493 nan 8.250 nan 0.000 0.450 267 A N 1.008 123.847 122.820 0.032 0.000 1.929 267 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 267 A C 1.964 179.565 177.584 0.028 0.000 1.176 267 A CA 1.070 53.123 52.037 0.027 0.000 0.628 267 A CB -0.251 18.761 19.000 0.020 0.000 0.816 267 A HN 0.378 nan 8.150 nan 0.000 0.444 268 Q N -0.299 119.520 119.800 0.031 0.000 2.311 268 Q HA 0.145 4.485 4.340 -0.001 0.000 0.203 268 Q C -0.093 175.930 176.000 0.037 0.000 0.954 268 Q CA 0.014 55.835 55.803 0.031 0.000 0.885 268 Q CB -0.231 28.524 28.738 0.030 0.000 0.963 268 Q HN 0.568 nan 8.270 nan 0.000 0.471 269 L N 2.728 123.980 121.223 0.047 0.000 2.455 269 L HA 0.136 4.476 4.340 -0.001 0.000 0.272 269 L C -2.028 174.872 176.870 0.050 0.000 1.174 269 L CA -1.627 53.247 54.840 0.057 0.000 0.869 269 L CB -0.236 41.865 42.059 0.070 0.000 1.130 269 L HN -0.098 nan 8.230 nan 0.000 0.474 270 P HA 0.129 nan 4.420 nan 0.000 0.275 270 P C -0.725 176.604 177.300 0.048 0.000 1.266 270 P CA -0.509 62.618 63.100 0.046 0.000 0.793 270 P CB 0.562 32.292 31.700 0.049 0.000 1.074 271 A N 0.855 123.700 122.820 0.041 0.000 2.492 271 A HA 0.455 4.774 4.320 -0.001 0.000 0.254 271 A C 1.280 178.892 177.584 0.046 0.000 1.091 271 A CA 0.673 52.733 52.037 0.039 0.000 0.768 271 A CB -1.478 17.542 19.000 0.032 0.000 1.028 271 A HN 0.843 nan 8.150 nan 0.000 0.498 272 G N 2.071 110.900 108.800 0.049 0.000 2.157 272 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.239 272 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.239 272 G C 0.482 175.427 174.900 0.075 0.000 0.982 272 G CA 0.238 45.372 45.100 0.056 0.000 0.650 272 G HN 1.116 nan 8.290 nan 0.000 0.527 273 S N 0.978 116.726 115.700 0.079 0.000 2.579 273 S HA 0.396 4.866 4.470 -0.001 0.000 0.275 273 S C 0.889 175.555 174.600 0.110 0.000 1.345 273 S CA -0.328 57.935 58.200 0.104 0.000 1.031 273 S CB 0.699 63.960 63.200 0.101 0.000 0.892 273 S HN 0.487 nan 8.310 nan 0.000 0.529 274 N N 0.564 119.353 118.700 0.150 0.000 2.366 274 N HA 0.303 5.042 4.740 -0.001 0.000 0.277 274 N C 0.783 176.355 175.510 0.104 0.000 1.275 274 N CA -0.187 52.942 53.050 0.131 0.000 0.964 274 N CB -0.075 38.529 38.487 0.194 0.000 1.167 274 N HN 0.673 nan 8.380 nan 0.000 0.568 275 G N -0.433 108.383 108.800 0.027 0.000 2.684 275 G HA2 0.365 4.325 3.960 -0.001 0.000 0.255 275 G HA3 0.365 4.325 3.960 -0.001 0.000 0.255 275 G C -0.167 174.769 174.900 0.060 0.000 1.219 275 G CA -0.332 44.768 45.100 -0.000 0.000 0.901 275 G HN 0.322 nan 8.290 nan 0.000 0.548 276 L N -0.153 121.106 121.223 0.061 0.000 2.334 276 L HA 0.574 4.913 4.340 -0.001 0.000 0.275 276 L C 0.228 177.160 176.870 0.103 0.000 1.036 276 L CA -0.587 54.334 54.840 0.136 0.000 0.807 276 L CB 1.938 44.069 42.059 0.119 0.000 1.231 276 L HN 0.508 nan 8.230 nan 0.000 0.438 277 M N 2.987 122.711 119.600 0.207 0.000 2.535 277 M HA 0.591 5.071 4.480 -0.001 0.000 0.314 277 M C -1.564 174.841 176.300 0.176 0.000 1.153 277 M CA -0.370 55.029 55.300 0.165 0.000 0.924 277 M CB 2.184 34.978 32.600 0.323 0.000 1.710 277 M HN 0.435 nan 8.290 nan 0.000 0.451 278 I N 2.926 123.578 120.570 0.137 0.000 2.447 278 I HA 0.267 4.437 4.170 -0.001 0.000 0.287 278 I C -1.208 175.008 176.117 0.166 0.000 1.023 278 I CA -0.769 60.648 61.300 0.195 0.000 1.083 278 I CB 1.843 40.002 38.000 0.266 0.000 1.245 278 I HN 0.615 nan 8.210 nan 0.000 0.434 279 D N 5.628 126.146 120.400 0.198 0.000 2.316 279 D HA 0.121 4.761 4.640 -0.001 0.000 0.245 279 D C 0.478 176.937 176.300 0.265 0.000 1.171 279 D CA 0.048 54.147 54.000 0.165 0.000 0.856 279 D CB 0.748 41.677 40.800 0.216 0.000 1.090 279 D HN 0.257 nan 8.370 nan 0.000 0.476 280 Y N 1.757 122.047 120.300 -0.017 0.000 2.509 280 Y HA -0.007 4.543 4.550 -0.001 0.000 0.293 280 Y C 1.622 177.465 175.900 -0.096 0.000 1.133 280 Y CA 0.138 58.189 58.100 -0.082 0.000 1.283 280 Y CB -0.770 37.626 38.460 -0.108 0.000 1.001 280 Y HN 0.340 nan 8.280 nan 0.000 0.555 281 S N -1.902 113.812 115.700 0.024 0.000 2.667 281 S HA 0.485 4.954 4.470 -0.001 0.000 0.292 281 S C -0.009 174.522 174.600 -0.115 0.000 1.108 281 S CA 0.113 58.221 58.200 -0.155 0.000 0.992 281 S CB 1.754 64.698 63.200 -0.427 0.000 1.269 281 S HN 0.506 nan 8.310 nan 0.000 0.528 282 H N -0.486 118.630 119.070 0.076 0.000 1.452 282 H HA -0.229 4.326 4.556 -0.001 0.000 0.090 282 H C 1.626 177.002 175.328 0.080 0.000 0.623 282 H CA 1.138 57.229 56.048 0.071 0.000 1.901 282 H CB -1.762 28.040 29.762 0.066 0.000 2.257 282 H HN 0.813 nan 8.280 nan 0.000 0.961 283 G N -0.047 108.903 108.800 0.250 0.000 2.422 283 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 283 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 283 G C 1.268 176.265 174.900 0.162 0.000 1.146 283 G CA 1.356 46.555 45.100 0.166 0.000 0.769 283 G HN 0.525 nan 8.290 nan 0.000 0.547 284 N N 0.678 119.494 118.700 0.193 0.000 2.457 284 N HA -0.064 4.675 4.740 -0.001 0.000 0.180 284 N C 2.325 177.925 175.510 0.149 0.000 1.050 284 N CA 1.202 54.399 53.050 0.245 0.000 0.906 284 N CB 0.027 38.704 38.487 0.317 0.000 0.968 284 N HN 0.457 nan 8.380 nan 0.000 0.445 285 S N -0.588 115.159 115.700 0.078 0.000 2.575 285 S HA 0.048 4.518 4.470 -0.001 0.000 0.215 285 S C 0.773 175.398 174.600 0.042 0.000 0.966 285 S CA 0.506 58.718 58.200 0.021 0.000 0.911 285 S CB -1.189 62.014 63.200 0.006 0.000 0.780 285 S HN 0.443 nan 8.310 nan 0.000 0.514 286 N N 0.174 118.920 118.700 0.077 0.000 2.642 286 N HA -0.026 4.714 4.740 -0.001 0.000 0.269 286 N C 0.680 176.221 175.510 0.052 0.000 1.073 286 N CA 1.288 54.379 53.050 0.067 0.000 0.748 286 N CB -2.807 nan 38.487 nan 0.000 0.894 286 N HN 2.048 nan 8.380 nan 0.000 0.548 287 K N -2.122 118.317 120.400 0.065 0.000 3.130 287 K HA -0.184 4.136 4.320 -0.001 0.000 0.282 287 K C -0.022 176.617 176.600 0.065 0.000 1.145 287 K CA 1.954 58.280 56.287 0.066 0.000 0.831 287 K CB -1.861 30.672 32.500 0.054 0.000 1.226 287 K HN 1.972 nan 8.250 nan 0.000 0.478 288 D N -1.461 118.970 120.400 0.052 0.000 2.970 288 D HA 0.553 5.192 4.640 -0.001 0.000 0.230 288 D C 0.773 177.080 176.300 0.012 0.000 1.276 288 D CA -0.354 53.658 54.000 0.021 0.000 0.910 288 D CB 0.738 41.499 40.800 -0.065 0.000 1.590 288 D HN 0.356 nan 8.370 nan 0.000 0.551 289 F N 2.848 122.784 119.950 -0.024 0.000 2.558 289 F HA 0.210 4.737 4.527 -0.001 0.000 0.298 289 F C 1.635 177.413 175.800 -0.037 0.000 1.119 289 F CA 0.315 58.294 58.000 -0.035 0.000 1.451 289 F CB -0.263 38.718 39.000 -0.031 0.000 1.091 289 F HN 0.159 nan 8.300 nan 0.000 0.563 290 R N 0.652 120.676 120.500 -0.795 0.000 2.237 290 R HA -0.039 4.301 4.340 -0.001 0.000 0.219 290 R C 0.735 176.871 176.300 -0.273 0.000 1.080 290 R CA 0.961 56.710 56.100 -0.585 0.000 0.995 290 R CB -0.609 29.343 30.300 -0.580 0.000 0.875 290 R HN 0.296 nan 8.270 nan 0.000 0.462 291 N N 0.829 119.406 118.700 -0.204 0.000 2.362 291 N HA -0.019 4.721 4.740 -0.001 0.000 0.204 291 N C 0.817 176.220 175.510 -0.178 0.000 1.166 291 N CA 0.393 53.346 53.050 -0.161 0.000 0.831 291 N CB 0.516 38.934 38.487 -0.116 0.000 1.008 291 N HN 0.415 nan 8.380 nan 0.000 0.472 292 Q N -0.065 119.658 119.800 -0.128 0.000 2.204 292 Q HA 0.050 4.390 4.340 -0.001 0.000 0.198 292 Q C -0.770 175.120 176.000 -0.184 0.000 0.946 292 Q CA 0.779 56.517 55.803 -0.109 0.000 0.859 292 Q CB -0.573 28.192 28.738 0.045 0.000 0.946 292 Q HN 0.266 nan 8.270 nan 0.000 0.474 293 P HA -0.116 nan 4.420 nan 0.000 0.221 293 P C 0.703 177.877 177.300 -0.212 0.000 1.150 293 P CA 1.210 64.227 63.100 -0.139 0.000 0.800 293 P CB 0.042 31.685 31.700 -0.095 0.000 0.787 294 K N -0.646 119.620 120.400 -0.225 0.000 2.097 294 K HA -0.036 4.284 4.320 -0.001 0.000 0.205 294 K C 1.834 178.214 176.600 -0.367 0.000 1.050 294 K CA 1.094 57.244 56.287 -0.229 0.000 0.938 294 K CB -0.714 31.680 32.500 -0.178 0.000 0.718 294 K HN 0.039 nan 8.250 nan 0.000 0.442 295 V N 1.891 121.458 119.914 -0.577 0.000 2.548 295 V HA -0.200 3.919 4.120 -0.001 0.000 0.249 295 V C 2.025 177.564 176.094 -0.926 0.000 1.055 295 V CA 1.652 63.365 62.300 -0.978 0.000 1.065 295 V CB -0.613 30.537 31.823 -1.121 0.000 0.681 295 V HN 0.360 nan 8.190 nan 0.000 0.462 296 N N 0.700 118.874 118.700 -0.877 0.000 2.084 296 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 296 N C 1.522 176.857 175.510 -0.291 0.000 1.030 296 N CA 1.794 54.460 53.050 -0.641 0.000 0.849 296 N CB -0.244 38.094 38.487 -0.248 0.000 1.012 296 N HN 0.417 nan 8.380 nan 0.000 0.423 297 D N -0.165 120.097 120.400 -0.230 0.000 2.103 297 D HA -0.141 4.499 4.640 -0.001 0.000 0.190 297 D C 2.046 178.283 176.300 -0.105 0.000 0.997 297 D CA 1.257 55.178 54.000 -0.131 0.000 0.833 297 D CB -0.689 40.045 40.800 -0.111 0.000 0.961 297 D HN 0.091 nan 8.370 nan 0.000 0.447 298 V N 0.783 120.627 119.914 -0.117 0.000 2.453 298 V HA -0.208 3.911 4.120 -0.001 0.000 0.252 298 V C 2.558 178.653 176.094 0.002 0.000 1.068 298 V CA 1.066 63.356 62.300 -0.017 0.000 1.070 298 V CB -0.325 31.562 31.823 0.107 0.000 0.664 298 V HN 0.056 nan 8.190 nan 0.000 0.461 299 V N -1.640 118.233 119.914 -0.068 0.000 2.446 299 V HA -0.191 3.929 4.120 -0.001 0.000 0.244 299 V C 2.447 178.552 176.094 0.018 0.000 1.039 299 V CA 1.842 64.143 62.300 0.002 0.000 1.045 299 V CB -0.326 31.497 31.823 0.001 0.000 0.681 299 V HN 0.628 nan 8.190 nan 0.000 0.459 300 C N -0.101 119.194 119.300 -0.008 0.000 2.413 300 C HA -0.161 4.299 4.460 -0.001 0.000 0.277 300 C C 2.764 177.756 174.990 0.003 0.000 1.265 300 C CA 1.242 60.263 59.018 0.005 0.000 1.752 300 C CB -0.867 26.867 27.740 -0.010 0.000 1.998 300 C HN 0.646 nan 8.230 nan 0.000 0.489 301 E N 0.816 121.014 120.200 -0.003 0.000 2.085 301 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 301 E C 2.047 178.654 176.600 0.010 0.000 0.994 301 E CA 1.528 57.929 56.400 0.001 0.000 0.801 301 E CB -0.281 29.419 29.700 0.001 0.000 0.743 301 E HN 0.701 nan 8.360 nan 0.000 0.453 302 Q N -0.089 119.723 119.800 0.020 0.000 2.167 302 Q HA -0.068 4.272 4.340 -0.001 0.000 0.202 302 Q C 2.388 178.401 176.000 0.022 0.000 0.970 302 Q CA 1.061 56.879 55.803 0.025 0.000 0.855 302 Q CB 0.053 28.814 28.738 0.038 0.000 0.911 302 Q HN 0.395 nan 8.270 nan 0.000 0.438 303 I N 0.370 120.953 120.570 0.022 0.000 2.233 303 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 303 I C 2.429 178.552 176.117 0.009 0.000 1.093 303 I CA 0.800 62.111 61.300 0.018 0.000 1.380 303 I CB -0.448 37.564 38.000 0.020 0.000 1.067 303 I HN 0.150 nan 8.210 nan 0.000 0.413 304 A N 0.919 123.742 122.820 0.006 0.000 1.865 304 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 304 A C 1.868 179.454 177.584 0.003 0.000 1.191 304 A CA 1.782 53.820 52.037 0.002 0.000 0.623 304 A CB -0.909 18.090 19.000 -0.001 0.000 0.826 304 A HN 0.457 nan 8.150 nan 0.000 0.444 305 N N -0.144 118.559 118.700 0.005 0.000 2.680 305 N HA 0.006 4.746 4.740 -0.001 0.000 0.197 305 N C 0.977 176.490 175.510 0.006 0.000 1.288 305 N CA 1.003 54.056 53.050 0.005 0.000 0.924 305 N CB -0.135 38.356 38.487 0.006 0.000 1.025 305 N HN 0.749 nan 8.380 nan 0.000 0.447 306 G N 1.223 110.027 108.800 0.006 0.000 2.141 306 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.242 306 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.242 306 G C -0.050 174.855 174.900 0.008 0.000 0.982 306 G CA -0.070 45.033 45.100 0.006 0.000 0.662 306 G HN 0.399 nan 8.290 nan 0.000 0.527 307 E N 0.781 120.988 120.200 0.012 0.000 2.220 307 E HA 0.340 4.689 4.350 -0.001 0.000 0.272 307 E C 1.198 177.806 176.600 0.013 0.000 1.099 307 E CA 0.157 56.566 56.400 0.016 0.000 0.907 307 E CB -0.336 29.378 29.700 0.023 0.000 1.022 307 E HN 0.476 nan 8.360 nan 0.000 0.428 308 N N 3.175 121.882 118.700 0.011 0.000 2.392 308 N HA 0.026 4.765 4.740 -0.001 0.000 0.177 308 N C 0.839 176.353 175.510 0.007 0.000 1.066 308 N CA 0.488 53.541 53.050 0.006 0.000 0.895 308 N CB 0.299 38.788 38.487 0.005 0.000 0.988 308 N HN 0.502 nan 8.380 nan 0.000 0.457 309 A N 0.828 123.659 122.820 0.017 0.000 2.206 309 A HA 0.108 4.427 4.320 -0.001 0.000 0.211 309 A C 0.900 178.498 177.584 0.024 0.000 1.158 309 A CA 0.301 52.352 52.037 0.023 0.000 0.761 309 A CB -0.193 18.828 19.000 0.035 0.000 0.801 309 A HN 0.163 nan 8.150 nan 0.000 0.473 310 I N 1.611 122.194 120.570 0.021 0.000 2.276 310 I HA 0.064 4.234 4.170 -0.001 0.000 0.290 310 I C 1.328 177.439 176.117 -0.010 0.000 1.109 310 I CA 0.039 61.354 61.300 0.025 0.000 1.229 310 I CB 0.983 39.010 38.000 0.046 0.000 1.452 310 I HN 0.313 nan 8.210 nan 0.000 0.497 311 T N 0.471 114.997 114.554 -0.047 0.000 3.044 311 T HA 0.269 4.619 4.350 -0.001 0.000 0.250 311 T C 0.738 175.353 174.700 -0.141 0.000 1.081 311 T CA -0.123 61.918 62.100 -0.099 0.000 1.040 311 T CB 0.517 69.299 68.868 -0.143 0.000 0.962 311 T HN 0.560 nan 8.240 nan 0.000 0.506 312 G N 0.737 109.461 108.800 -0.127 0.000 2.720 312 G HA2 0.577 4.536 3.960 -0.001 0.000 0.295 312 G HA3 0.577 4.536 3.960 -0.001 0.000 0.295 312 G C -1.257 173.586 174.900 -0.096 0.000 1.437 312 G CA -0.283 44.726 45.100 -0.152 0.000 0.886 312 G HN 0.754 nan 8.290 nan 0.000 0.509 313 V N -0.956 118.862 119.914 -0.160 0.000 3.155 313 V HA 0.948 5.068 4.120 -0.001 0.000 0.313 313 V C -0.496 175.407 176.094 -0.319 0.000 1.162 313 V CA -1.341 60.808 62.300 -0.252 0.000 1.048 313 V CB 2.182 33.740 31.823 -0.441 0.000 1.092 313 V HN 0.966 nan 8.190 nan 0.000 0.447 314 M N 2.259 121.610 119.600 -0.414 0.000 2.271 314 M HA 0.713 5.193 4.480 -0.001 0.000 0.285 314 M C -2.071 174.011 176.300 -0.362 0.000 1.059 314 M CA -0.377 54.755 55.300 -0.278 0.000 0.940 314 M CB 1.776 34.324 32.600 -0.086 0.000 1.636 314 M HN 0.786 nan 8.290 nan 0.000 0.460 315 I N 2.841 123.250 120.570 -0.269 0.000 2.689 315 I HA 0.384 4.553 4.170 -0.001 0.000 0.299 315 I C -0.602 175.449 176.117 -0.109 0.000 1.059 315 I CA -0.631 60.559 61.300 -0.184 0.000 1.055 315 I CB 2.395 40.303 38.000 -0.153 0.000 1.243 315 I HN 0.618 nan 8.210 nan 0.000 0.425 316 E N 3.742 123.890 120.200 -0.087 0.000 2.070 316 E HA 0.301 4.651 4.350 -0.001 0.000 0.261 316 E C -0.892 175.688 176.600 -0.033 0.000 0.926 316 E CA -0.255 56.087 56.400 -0.097 0.000 0.760 316 E CB 1.620 31.231 29.700 -0.149 0.000 1.133 316 E HN 0.540 nan 8.360 nan 0.000 0.420 317 S N 3.409 119.114 115.700 0.009 0.000 2.718 317 S HA 0.556 5.025 4.470 -0.001 0.000 0.300 317 S C -0.413 174.235 174.600 0.082 0.000 1.117 317 S CA -0.515 57.760 58.200 0.124 0.000 1.002 317 S CB 1.332 64.705 63.200 0.288 0.000 1.092 317 S HN 0.465 nan 8.310 nan 0.000 0.542 318 N N 0.238 119.092 118.700 0.258 0.000 3.116 318 N HA 0.352 5.092 4.740 -0.001 0.000 0.244 318 N C 0.734 176.493 175.510 0.414 0.000 1.485 318 N CA -0.479 52.673 53.050 0.170 0.000 0.884 318 N CB 0.727 39.197 38.487 -0.028 0.000 1.415 318 N HN 0.605 nan 8.380 nan 0.000 0.524 319 I N 0.435 121.185 120.570 0.300 0.000 2.226 319 I HA -0.155 4.014 4.170 -0.001 0.000 0.245 319 I C 0.065 176.296 176.117 0.190 0.000 1.100 319 I CA 1.104 62.548 61.300 0.239 0.000 1.374 319 I CB -0.099 37.943 38.000 0.071 0.000 1.057 319 I HN 0.285 nan 8.210 nan 0.000 0.413 320 N N 0.855 119.612 118.700 0.096 0.000 2.238 320 N HA 0.209 4.949 4.740 -0.001 0.000 0.302 320 N C -0.839 174.670 175.510 -0.002 0.000 1.072 320 N CA -0.535 52.555 53.050 0.066 0.000 0.792 320 N CB 1.511 40.026 38.487 0.047 0.000 1.425 320 N HN 0.188 nan 8.380 nan 0.000 0.478 321 E N 0.308 120.506 120.200 -0.004 0.000 2.410 321 E HA 0.458 4.808 4.350 -0.001 0.000 0.255 321 E C 0.806 177.208 176.600 -0.330 0.000 1.194 321 E CA -0.398 55.918 56.400 -0.140 0.000 0.955 321 E CB 0.301 30.048 29.700 0.079 0.000 0.988 321 E HN 0.657 nan 8.360 nan 0.000 0.461 322 G N 0.953 109.229 108.800 -0.873 0.000 2.542 322 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.235 322 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.235 322 G C -0.561 174.075 174.900 -0.440 0.000 1.286 322 G CA 0.025 44.681 45.100 -0.740 0.000 0.904 322 G HN 1.359 nan 8.290 nan 0.000 0.577 323 N N -0.697 117.857 118.700 -0.244 0.000 3.339 323 N HA 0.556 5.295 4.740 -0.001 0.000 0.275 323 N C -0.943 174.499 175.510 -0.113 0.000 1.514 323 N CA 0.290 53.238 53.050 -0.169 0.000 0.879 323 N CB 0.819 39.216 38.487 -0.151 0.000 1.557 323 N HN 1.830 nan 8.380 nan 0.000 0.524 324 Q N -1.115 118.620 119.800 -0.109 0.000 2.578 324 Q HA 0.601 4.940 4.340 -0.001 0.000 0.284 324 Q C -1.209 174.735 176.000 -0.094 0.000 0.960 324 Q CA -1.120 54.631 55.803 -0.086 0.000 0.809 324 Q CB 1.292 29.978 28.738 -0.086 0.000 1.462 324 Q HN 0.766 nan 8.270 nan 0.000 0.392 325 G N 0.891 109.651 108.800 -0.066 0.000 2.462 325 G HA2 0.573 4.533 3.960 -0.001 0.000 0.319 325 G HA3 0.573 4.533 3.960 -0.001 0.000 0.319 325 G C -0.281 174.573 174.900 -0.076 0.000 1.171 325 G CA -1.083 43.981 45.100 -0.060 0.000 0.920 325 G HN 0.554 nan 8.290 nan 0.000 0.499 326 I N 2.030 122.555 120.570 -0.076 0.000 2.533 326 I HA 0.106 4.276 4.170 -0.001 0.000 0.284 326 I C -1.524 174.566 176.117 -0.045 0.000 1.109 326 I CA -1.193 60.059 61.300 -0.080 0.000 1.412 326 I CB 1.005 38.961 38.000 -0.073 0.000 1.396 326 I HN 0.281 nan 8.210 nan 0.000 0.543 327 P HA 0.075 nan 4.420 nan 0.000 0.280 327 P C 0.444 177.736 177.300 -0.015 0.000 1.278 327 P CA -0.277 62.809 63.100 -0.023 0.000 0.787 327 P CB 0.563 32.250 31.700 -0.021 0.000 1.163 328 A N -0.083 122.732 122.820 -0.008 0.000 1.872 328 A HA -0.132 4.188 4.320 -0.001 0.000 0.214 328 A C 1.514 179.097 177.584 -0.003 0.000 1.187 328 A CA 1.311 53.346 52.037 -0.003 0.000 0.614 328 A CB -1.318 17.682 19.000 -0.000 0.000 0.826 328 A HN 0.600 nan 8.150 nan 0.000 0.442 329 E N 0.449 120.646 120.200 -0.004 0.000 2.520 329 E HA 0.346 4.695 4.350 -0.001 0.000 0.201 329 E C 1.221 177.817 176.600 -0.006 0.000 1.122 329 E CA 0.479 56.877 56.400 -0.003 0.000 0.896 329 E CB -0.922 28.776 29.700 -0.003 0.000 0.891 329 E HN 0.735 nan 8.360 nan 0.000 0.533 330 G N 1.987 110.781 108.800 -0.011 0.000 2.578 330 G HA2 -0.486 3.474 3.960 -0.001 0.000 0.284 330 G HA3 -0.486 3.474 3.960 -0.001 0.000 0.284 330 G C 0.702 175.586 174.900 -0.026 0.000 1.283 330 G CA 0.220 45.310 45.100 -0.018 0.000 0.944 330 G HN 0.356 nan 8.290 nan 0.000 0.558 331 K N 0.554 120.936 120.400 -0.030 0.000 2.588 331 K HA 0.053 4.372 4.320 -0.001 0.000 0.196 331 K C 2.294 178.887 176.600 -0.011 0.000 1.044 331 K CA 1.824 58.093 56.287 -0.030 0.000 0.934 331 K CB -0.546 31.941 32.500 -0.023 0.000 0.773 331 K HN 0.843 nan 8.250 nan 0.000 0.489 332 A N -0.773 122.042 122.820 -0.008 0.000 2.252 332 A HA 0.182 4.502 4.320 -0.001 0.000 0.213 332 A C 1.727 179.312 177.584 0.000 0.000 1.188 332 A CA 0.522 52.559 52.037 -0.001 0.000 0.863 332 A CB 0.359 19.359 19.000 -0.001 0.000 0.893 332 A HN 0.368 nan 8.150 nan 0.000 0.495 333 G N -0.641 108.155 108.800 -0.006 0.000 3.126 333 G HA2 0.371 4.331 3.960 -0.001 0.000 0.224 333 G HA3 0.371 4.331 3.960 -0.001 0.000 0.224 333 G C 0.390 175.286 174.900 -0.007 0.000 1.142 333 G CA -0.268 44.829 45.100 -0.006 0.000 0.759 333 G HN 0.323 nan 8.290 nan 0.000 0.550 334 L N 1.493 122.711 121.223 -0.009 0.000 2.455 334 L HA 0.186 4.526 4.340 -0.001 0.000 0.272 334 L C 0.261 177.147 176.870 0.026 0.000 1.174 334 L CA -0.066 54.768 54.840 -0.011 0.000 0.869 334 L CB 0.790 42.839 42.059 -0.018 0.000 1.130 334 L HN 0.072 nan 8.230 nan 0.000 0.474 335 K N 3.033 123.444 120.400 0.018 0.000 2.350 335 K HA 0.089 4.409 4.320 -0.001 0.000 0.279 335 K C -0.392 176.261 176.600 0.088 0.000 1.027 335 K CA -0.437 55.881 56.287 0.052 0.000 0.969 335 K CB 0.531 33.047 32.500 0.026 0.000 0.954 335 K HN 0.261 nan 8.250 nan 0.000 0.474 336 Y N 1.001 121.297 120.300 -0.006 0.000 2.511 336 Y HA 0.012 4.562 4.550 -0.001 0.000 0.347 336 Y C 1.435 177.335 175.900 0.000 0.000 1.257 336 Y CA 1.388 59.483 58.100 -0.008 0.000 1.469 336 Y CB 0.423 38.874 38.460 -0.014 0.000 1.353 336 Y HN 0.944 nan 8.280 nan 0.000 0.617 337 G N 2.762 111.044 108.800 -0.865 0.000 2.439 337 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.305 337 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.305 337 G C -0.740 174.042 174.900 -0.196 0.000 0.966 337 G CA 0.663 45.430 45.100 -0.554 0.000 0.890 337 G HN 0.615 nan 8.290 nan 0.000 0.513 338 V N 0.134 119.974 119.914 -0.124 0.000 2.444 338 V HA 0.566 4.685 4.120 -0.001 0.000 0.294 338 V C 0.844 176.892 176.094 -0.076 0.000 1.022 338 V CA -0.251 61.997 62.300 -0.086 0.000 0.850 338 V CB 1.640 33.422 31.823 -0.068 0.000 0.992 338 V HN 0.508 nan 8.190 nan 0.000 0.426 339 S N 4.275 119.914 115.700 -0.101 0.000 2.559 339 S HA 0.167 4.637 4.470 -0.001 0.000 0.282 339 S C 0.957 175.440 174.600 -0.195 0.000 1.336 339 S CA 0.033 58.168 58.200 -0.109 0.000 1.037 339 S CB 0.231 63.367 63.200 -0.107 0.000 0.853 339 S HN 0.713 nan 8.310 nan 0.000 0.523 340 I N 1.069 121.450 120.570 -0.315 0.000 3.974 340 I HA 0.260 4.430 4.170 -0.001 0.000 0.334 340 I C 0.647 176.682 176.117 -0.137 0.000 1.437 340 I CA -0.423 60.677 61.300 -0.333 0.000 1.113 340 I CB -0.370 37.241 38.000 -0.649 0.000 1.063 340 I HN 0.599 nan 8.210 nan 0.000 0.400 341 T N -2.366 112.155 114.554 -0.056 0.000 1.594 341 T HA 0.305 4.655 4.350 -0.001 0.000 0.179 341 T C 0.095 174.801 174.700 0.010 0.000 0.686 341 T CA -0.332 61.791 62.100 0.038 0.000 1.183 341 T CB -0.162 68.782 68.868 0.127 0.000 3.378 341 T HN -0.033 nan 8.240 nan 0.000 0.412 342 D N 1.832 122.251 120.400 0.032 0.000 2.382 342 D HA 0.544 5.184 4.640 -0.001 0.000 0.240 342 D C 0.121 176.386 176.300 -0.058 0.000 1.146 342 D CA 0.004 54.015 54.000 0.018 0.000 0.897 342 D CB 0.834 41.671 40.800 0.062 0.000 1.197 342 D HN 0.763 nan 8.370 nan 0.000 0.432 343 A N 1.028 123.797 122.820 -0.084 0.000 2.351 343 A HA 0.461 4.781 4.320 -0.001 0.000 0.257 343 A C -0.116 177.313 177.584 -0.259 0.000 1.087 343 A CA -0.355 51.527 52.037 -0.258 0.000 0.798 343 A CB 0.337 19.138 19.000 -0.332 0.000 1.033 343 A HN 0.659 nan 8.150 nan 0.000 0.488 344 C N 0.421 119.477 119.300 -0.407 0.000 3.044 344 C HA 0.697 5.157 4.460 -0.001 0.000 0.315 344 C C 0.217 175.122 174.990 -0.142 0.000 1.320 344 C CA -0.681 58.221 59.018 -0.193 0.000 1.582 344 C CB 0.874 28.541 27.740 -0.121 0.000 2.039 344 C HN 0.864 nan 8.230 nan 0.000 0.466 345 I N 0.935 121.560 120.570 0.092 0.000 2.612 345 I HA 0.677 4.847 4.170 -0.001 0.000 0.295 345 I C 0.703 176.894 176.117 0.123 0.000 1.011 345 I CA 0.074 61.492 61.300 0.197 0.000 1.326 345 I CB 0.222 38.319 38.000 0.163 0.000 1.427 345 I HN 0.761 nan 8.210 nan 0.000 0.537 346 G N 3.214 112.097 108.800 0.137 0.000 2.684 346 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.255 346 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.255 346 G C 0.252 175.258 174.900 0.177 0.000 1.219 346 G CA -0.515 44.675 45.100 0.150 0.000 0.901 346 G HN 1.064 nan 8.290 nan 0.000 0.548 347 W N 0.146 121.483 121.300 0.061 0.000 2.355 347 W HA -0.123 4.536 4.660 -0.001 0.000 0.309 347 W C 2.061 178.584 176.519 0.006 0.000 1.206 347 W CA 1.660 59.020 57.345 0.024 0.000 1.284 347 W CB 0.066 29.517 29.460 -0.017 0.000 1.145 347 W HN 0.684 nan 8.180 nan 0.000 0.502 348 E N 0.319 120.467 120.200 -0.086 0.000 2.033 348 E HA -0.239 4.110 4.350 -0.001 0.000 0.199 348 E C 2.036 178.496 176.600 -0.232 0.000 1.011 348 E CA 2.973 59.270 56.400 -0.171 0.000 0.815 348 E CB -1.250 28.445 29.700 -0.009 0.000 0.755 348 E HN 0.069 nan 8.360 nan 0.000 0.451 349 T N 0.390 114.871 114.554 -0.122 0.000 2.737 349 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 349 T C 1.826 176.424 174.700 -0.171 0.000 1.040 349 T CA 1.829 63.869 62.100 -0.100 0.000 1.142 349 T CB -0.576 68.284 68.868 -0.014 0.000 0.861 349 T HN 0.248 nan 8.240 nan 0.000 0.456 350 T N 1.374 115.764 114.554 -0.272 0.000 2.867 350 T HA -0.019 4.330 4.350 -0.001 0.000 0.268 350 T C 1.855 176.264 174.700 -0.486 0.000 1.057 350 T CA 0.799 62.693 62.100 -0.343 0.000 1.136 350 T CB -0.085 68.559 68.868 -0.373 0.000 0.874 350 T HN 0.479 nan 8.240 nan 0.000 0.466 351 E N 0.596 120.403 120.200 -0.655 0.000 2.107 351 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 351 E C 1.712 178.151 176.600 -0.267 0.000 0.982 351 E CA 0.757 56.844 56.400 -0.521 0.000 0.809 351 E CB 0.088 29.476 29.700 -0.520 0.000 0.756 351 E HN 0.378 nan 8.360 nan 0.000 0.459 352 D N 0.061 120.331 120.400 -0.217 0.000 2.084 352 D HA -0.130 4.509 4.640 -0.001 0.000 0.196 352 D C 2.074 178.310 176.300 -0.107 0.000 0.985 352 D CA 0.783 54.705 54.000 -0.130 0.000 0.826 352 D CB -0.280 40.458 40.800 -0.102 0.000 0.978 352 D HN 0.034 nan 8.370 nan 0.000 0.456 353 V N 1.255 121.105 119.914 -0.107 0.000 2.332 353 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 353 V C 2.644 178.710 176.094 -0.047 0.000 1.055 353 V CA 1.230 63.498 62.300 -0.054 0.000 1.038 353 V CB -0.465 31.348 31.823 -0.017 0.000 0.651 353 V HN 0.185 nan 8.190 nan 0.000 0.450 354 L N -0.871 120.294 121.223 -0.097 0.000 2.056 354 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 354 L C 2.774 179.606 176.870 -0.063 0.000 1.078 354 L CA 1.573 56.363 54.840 -0.083 0.000 0.749 354 L CB -0.548 41.438 42.059 -0.123 0.000 0.901 354 L HN 0.196 nan 8.230 nan 0.000 0.433 355 R N -0.279 120.176 120.500 -0.076 0.000 2.081 355 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 355 R C 2.374 178.650 176.300 -0.040 0.000 1.131 355 R CA 0.912 56.979 56.100 -0.055 0.000 0.960 355 R CB -0.222 30.042 30.300 -0.061 0.000 0.856 355 R HN 0.087 nan 8.270 nan 0.000 0.436 356 K N 1.023 121.399 120.400 -0.041 0.000 2.103 356 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 356 K C 1.925 178.515 176.600 -0.017 0.000 1.048 356 K CA 1.181 57.450 56.287 -0.030 0.000 0.930 356 K CB -0.273 32.206 32.500 -0.034 0.000 0.716 356 K HN 0.099 nan 8.250 nan 0.000 0.444 357 L N 0.353 121.570 121.223 -0.010 0.000 2.179 357 L HA 0.045 4.385 4.340 -0.001 0.000 0.208 357 L C 2.075 178.940 176.870 -0.009 0.000 1.096 357 L CA 1.710 56.553 54.840 0.004 0.000 0.779 357 L CB -0.570 41.501 42.059 0.019 0.000 0.922 357 L HN 0.106 nan 8.230 nan 0.000 0.443 358 A N -0.517 122.292 122.820 -0.019 0.000 1.929 358 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 358 A C 2.445 180.019 177.584 -0.016 0.000 1.176 358 A CA 1.358 53.383 52.037 -0.020 0.000 0.628 358 A CB -0.992 17.994 19.000 -0.024 0.000 0.816 358 A HN 0.506 nan 8.150 nan 0.000 0.444 359 A N 0.156 122.966 122.820 -0.017 0.000 1.883 359 A HA 0.080 4.400 4.320 -0.001 0.000 0.217 359 A C 2.476 180.053 177.584 -0.011 0.000 1.186 359 A CA 2.230 54.258 52.037 -0.015 0.000 0.624 359 A CB -1.034 17.956 19.000 -0.017 0.000 0.822 359 A HN 1.103 nan 8.150 nan 0.000 0.444 360 A N -0.821 121.994 122.820 -0.009 0.000 2.015 360 A HA 0.091 4.410 4.320 -0.001 0.000 0.219 360 A C 2.125 179.706 177.584 -0.004 0.000 1.163 360 A CA 1.624 53.658 52.037 -0.004 0.000 0.646 360 A CB -0.628 18.373 19.000 0.001 0.000 0.806 360 A HN 0.401 nan 8.150 nan 0.000 0.448 361 V N -0.303 119.606 119.914 -0.007 0.000 2.488 361 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 361 V C 2.537 178.625 176.094 -0.010 0.000 1.046 361 V CA 1.826 64.121 62.300 -0.010 0.000 1.053 361 V CB -0.748 31.066 31.823 -0.015 0.000 0.679 361 V HN 0.508 nan 8.190 nan 0.000 0.458 362 R N 0.007 120.501 120.500 -0.010 0.000 2.066 362 R HA -0.175 4.165 4.340 -0.001 0.000 0.232 362 R C 2.410 178.706 176.300 -0.007 0.000 1.131 362 R CA 1.502 57.597 56.100 -0.009 0.000 0.955 362 R CB -0.350 29.944 30.300 -0.010 0.000 0.851 362 R HN 0.393 nan 8.270 nan 0.000 0.432 363 Q N 1.233 121.029 119.800 -0.007 0.000 2.226 363 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 363 Q C 1.862 177.860 176.000 -0.004 0.000 0.975 363 Q CA 1.559 57.359 55.803 -0.005 0.000 0.866 363 Q CB -0.124 28.611 28.738 -0.005 0.000 0.915 363 Q HN 0.172 nan 8.270 nan 0.000 0.440 364 R N -0.581 119.917 120.500 -0.004 0.000 2.119 364 R HA 0.006 4.346 4.340 -0.001 0.000 0.222 364 R C 2.241 178.539 176.300 -0.003 0.000 1.088 364 R CA 0.849 56.948 56.100 -0.002 0.000 0.984 364 R CB -0.103 30.196 30.300 -0.002 0.000 0.884 364 R HN 0.187 nan 8.270 nan 0.000 0.447 365 R N 0.392 120.889 120.500 -0.005 0.000 2.096 365 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 365 R C 1.808 178.105 176.300 -0.004 0.000 1.127 365 R CA 1.893 57.990 56.100 -0.005 0.000 0.968 365 R CB -0.044 30.252 30.300 -0.007 0.000 0.861 365 R HN 0.172 nan 8.270 nan 0.000 0.440 366 E N 0.029 120.226 120.200 -0.004 0.000 2.001 366 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 366 E C 1.710 178.309 176.600 -0.002 0.000 1.002 366 E CA 1.790 58.188 56.400 -0.003 0.000 0.819 366 E CB -0.297 29.401 29.700 -0.003 0.000 0.769 366 E HN 0.101 nan 8.360 nan 0.000 0.454 367 V N 1.483 121.396 119.914 -0.002 0.000 3.061 367 V HA -0.270 3.850 4.120 -0.001 0.000 0.269 367 V C 1.246 177.340 176.094 0.000 0.000 1.154 367 V CA 2.116 64.416 62.300 -0.000 0.000 1.168 367 V CB -0.896 30.927 31.823 0.000 0.000 0.758 367 V HN 0.336 nan 8.190 nan 0.000 0.530 368 N N -0.918 117.782 118.700 -0.001 0.000 2.184 368 N HA 0.122 4.861 4.740 -0.001 0.000 0.206 368 N C 0.721 176.231 175.510 -0.000 0.000 1.151 368 N CA 0.148 53.198 53.050 -0.000 0.000 0.878 368 N CB 0.260 38.747 38.487 -0.001 0.000 1.014 368 N HN 0.532 nan 8.380 nan 0.000 0.512 369 K N 1.905 122.304 120.400 -0.001 0.000 2.401 369 K HA 0.550 4.870 4.320 -0.001 0.000 0.278 369 K C 0.208 176.808 176.600 -0.000 0.000 1.018 369 K CA 0.221 56.508 56.287 -0.001 0.000 0.981 369 K CB 0.027 32.526 32.500 -0.001 0.000 0.933 369 K HN 0.339 nan 8.250 nan 0.000 0.477 370 K N 0.000 120.400 120.400 0.000 0.000 2.780 370 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 370 K CA 0.000 nan 56.287 nan 0.000 0.838 370 K CB 0.000 nan 32.500 nan 0.000 1.064 370 K HN 0.000 nan 8.250 nan 0.000 0.543