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 3lcx_1_C DATA FIRST_RESID 4 DATA SEQUENCE NLRGVMAALL TPFDQQQALD KASLRRLVQF NIQQGIDGLY VGGSTGEAFV DATA SEQUENCE QSLSERAQVL EIVAEEAKGK IKLIAHVGCV STAESQQLAA SAKRHGFDAV DATA SEQUENCE SAVTPFYYPF SLEEHCDHYR AIIDSADGLP MVVYNIPALS GVKLTLGQIY DATA SEQUENCE TLVTLPGVGA LKQTSGDLYQ MEQIRREHPD LVLYNGYDEI FASGLLAGAD DATA SEQUENCE GGIGSTYNIM GWRYQGIVKA LKEGDIQTAQ KLQTECNKVI DLLIKTGIFR DATA SEQUENCE GLKTVLHYMD VISVPLCRKP FGPVDEKCLP ELKALAQQLM Q 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.545 175.510 0.059 0.000 1.280 4 N CA 0.000 53.071 53.050 0.035 0.000 0.885 4 N CB 0.000 38.506 38.487 0.032 0.000 1.341 5 L N 1.388 122.653 121.223 0.071 0.000 2.590 5 L HA 0.366 4.706 4.340 0.000 0.000 0.227 5 L C 1.169 178.136 176.870 0.163 0.000 1.099 5 L CA 0.168 55.092 54.840 0.139 0.000 0.872 5 L CB -0.417 41.742 42.059 0.166 0.000 1.088 5 L HN 0.249 nan 8.230 nan 0.000 0.479 6 R N 0.004 120.533 120.500 0.048 0.000 2.734 6 R HA 0.427 4.767 4.340 0.000 0.000 0.266 6 R C 0.162 176.524 176.300 0.103 0.000 1.044 6 R CA 0.995 57.092 56.100 -0.005 0.000 1.128 6 R CB 0.208 30.488 30.300 -0.034 0.000 1.010 6 R HN 0.245 nan 8.270 nan 0.000 0.461 7 G N 0.786 109.670 108.800 0.141 0.000 2.334 7 G HA2 -0.022 3.939 3.960 0.000 0.000 0.315 7 G HA3 -0.022 3.939 3.960 0.000 0.000 0.315 7 G C -1.647 173.410 174.900 0.261 0.000 1.284 7 G CA -0.526 44.679 45.100 0.176 0.000 0.985 7 G HN 0.547 nan 8.290 nan 0.000 0.504 8 V N 1.919 121.941 119.914 0.180 0.000 2.364 8 V HA 0.655 4.775 4.120 0.000 0.000 0.272 8 V C 0.405 176.578 176.094 0.130 0.000 1.036 8 V CA -0.193 62.187 62.300 0.132 0.000 0.880 8 V CB 1.084 32.866 31.823 -0.068 0.000 0.991 8 V HN 0.640 nan 8.190 nan 0.000 0.460 9 M N 4.257 123.986 119.600 0.214 0.000 2.253 9 M HA 0.630 5.111 4.480 0.000 0.000 0.314 9 M C -0.143 176.295 176.300 0.230 0.000 1.019 9 M CA -0.514 54.877 55.300 0.151 0.000 0.932 9 M CB 1.890 34.505 32.600 0.024 0.000 1.606 9 M HN 0.580 nan 8.290 nan 0.000 0.430 10 A N 2.520 125.460 122.820 0.200 0.000 2.401 10 A HA 0.690 5.010 4.320 0.000 0.000 0.259 10 A C 0.349 177.922 177.584 -0.018 0.000 1.103 10 A CA -0.432 51.680 52.037 0.124 0.000 0.789 10 A CB 0.250 19.327 19.000 0.129 0.000 1.035 10 A HN 0.952 nan 8.150 nan 0.000 0.491 11 A N 2.564 125.295 122.820 -0.150 0.000 2.310 11 A HA 0.502 4.822 4.320 0.000 0.000 0.300 11 A C -0.114 177.415 177.584 -0.093 0.000 1.269 11 A CA -0.380 51.605 52.037 -0.086 0.000 0.909 11 A CB -0.248 18.651 19.000 -0.168 0.000 1.144 11 A HN 1.034 nan 8.150 nan 0.000 0.540 12 L N 4.382 125.564 121.223 -0.068 0.000 2.418 12 L HA 0.204 4.544 4.340 0.000 0.000 0.274 12 L C 0.019 176.787 176.870 -0.171 0.000 1.135 12 L CA 0.034 54.819 54.840 -0.093 0.000 0.870 12 L CB 0.188 42.207 42.059 -0.066 0.000 1.154 12 L HN 0.546 nan 8.230 nan 0.000 0.462 13 L N 3.371 124.485 121.223 -0.182 0.000 2.466 13 L HA 0.308 4.648 4.340 0.000 0.000 0.257 13 L C 0.628 177.335 176.870 -0.272 0.000 1.189 13 L CA -0.111 54.573 54.840 -0.260 0.000 0.813 13 L CB 0.915 42.850 42.059 -0.206 0.000 1.118 13 L HN 0.737 nan 8.230 nan 0.000 0.471 14 T N 0.274 114.597 114.554 -0.386 0.000 2.892 14 T HA 0.508 4.859 4.350 0.000 0.000 0.311 14 T C -2.614 171.585 174.700 -0.836 0.000 1.033 14 T CA -1.828 59.958 62.100 -0.524 0.000 0.991 14 T CB 1.543 70.092 68.868 -0.532 0.000 0.981 14 T HN 0.193 nan 8.240 nan 0.000 0.457 15 P HA 0.398 nan 4.420 nan 0.000 0.269 15 P C -0.987 175.974 177.300 -0.564 0.000 1.209 15 P CA -0.204 62.642 63.100 -0.422 0.000 0.776 15 P CB 0.218 31.795 31.700 -0.205 0.000 0.876 16 F N 0.388 120.321 119.950 -0.027 0.000 2.631 16 F HA 0.393 4.920 4.527 0.000 0.000 0.328 16 F C 0.562 176.355 175.800 -0.011 0.000 1.067 16 F CA -0.565 57.425 58.000 -0.017 0.000 0.969 16 F CB 0.912 39.906 39.000 -0.011 0.000 1.332 16 F HN 0.262 nan 8.300 nan 0.000 0.490 17 D N -0.859 119.671 120.400 0.218 0.000 2.487 17 D HA 0.205 4.845 4.640 0.000 0.000 0.262 17 D C 0.600 176.953 176.300 0.088 0.000 1.130 17 D CA -0.524 53.544 54.000 0.112 0.000 1.038 17 D CB 0.456 41.303 40.800 0.078 0.000 1.142 17 D HN 0.269 nan 8.370 nan 0.000 0.575 18 Q N -0.915 118.916 119.800 0.052 0.000 2.308 18 Q HA -0.165 4.175 4.340 0.000 0.000 0.209 18 Q C 1.023 177.035 176.000 0.020 0.000 0.985 18 Q CA 1.423 57.245 55.803 0.031 0.000 0.881 18 Q CB -0.201 28.550 28.738 0.022 0.000 0.917 18 Q HN 0.510 nan 8.270 nan 0.000 0.443 19 Q N -0.095 119.720 119.800 0.025 0.000 2.280 19 Q HA 0.077 4.417 4.340 0.000 0.000 0.202 19 Q C -0.073 175.921 176.000 -0.010 0.000 0.903 19 Q CA 0.004 55.812 55.803 0.009 0.000 0.948 19 Q CB 0.307 29.055 28.738 0.016 0.000 1.058 19 Q HN 0.244 nan 8.270 nan 0.000 0.493 20 Q N -2.003 117.789 119.800 -0.012 0.000 2.468 20 Q HA -0.244 4.096 4.340 0.000 0.000 0.256 20 Q C -0.420 175.525 176.000 -0.091 0.000 0.984 20 Q CA 0.744 56.473 55.803 -0.122 0.000 1.110 20 Q CB -1.993 26.618 28.738 -0.212 0.000 1.527 20 Q HN 0.443 nan 8.270 nan 0.000 0.535 21 A N 0.601 123.472 122.820 0.086 0.000 2.294 21 A HA 0.615 4.936 4.320 0.000 0.000 0.330 21 A C 0.002 177.776 177.584 0.315 0.000 1.133 21 A CA -0.609 51.521 52.037 0.156 0.000 0.836 21 A CB 0.746 19.796 19.000 0.083 0.000 1.190 21 A HN 0.272 nan 8.150 nan 0.000 0.492 22 L N 1.168 122.570 121.223 0.298 0.000 2.628 22 L HA 0.046 4.386 4.340 0.000 0.000 0.274 22 L C -0.014 176.891 176.870 0.058 0.000 1.209 22 L CA 0.529 55.462 54.840 0.155 0.000 0.930 22 L CB -0.094 42.006 42.059 0.069 0.000 1.183 22 L HN 0.626 nan 8.230 nan 0.000 0.492 23 D N 4.631 125.027 120.400 -0.007 0.000 2.563 23 D HA 0.065 4.705 4.640 0.000 0.000 0.222 23 D C 1.014 177.288 176.300 -0.043 0.000 1.145 23 D CA -0.041 53.951 54.000 -0.013 0.000 1.001 23 D CB 0.373 41.162 40.800 -0.018 0.000 1.049 23 D HN 0.649 nan 8.370 nan 0.000 0.515 24 K N 1.332 121.715 120.400 -0.028 0.000 2.077 24 K HA -0.244 4.076 4.320 0.000 0.000 0.213 24 K C 1.846 178.426 176.600 -0.034 0.000 1.051 24 K CA 1.713 57.980 56.287 -0.034 0.000 0.929 24 K CB -0.050 32.438 32.500 -0.021 0.000 0.715 24 K HN 0.373 nan 8.250 nan 0.000 0.451 25 A N 1.001 123.807 122.820 -0.024 0.000 1.933 25 A HA -0.148 4.172 4.320 0.000 0.000 0.218 25 A C 2.234 179.800 177.584 -0.030 0.000 1.175 25 A CA 1.876 53.900 52.037 -0.022 0.000 0.628 25 A CB -0.446 18.545 19.000 -0.015 0.000 0.814 25 A HN 0.202 nan 8.150 nan 0.000 0.444 26 S N -0.525 115.152 115.700 -0.039 0.000 2.406 26 S HA -0.012 4.458 4.470 0.000 0.000 0.228 26 S C 1.810 176.373 174.600 -0.062 0.000 1.020 26 S CA 0.857 59.026 58.200 -0.052 0.000 0.965 26 S CB -0.359 62.807 63.200 -0.057 0.000 0.798 26 S HN 0.525 nan 8.310 nan 0.000 0.488 27 L N 1.664 122.843 121.223 -0.074 0.000 1.955 27 L HA -0.184 4.156 4.340 0.000 0.000 0.213 27 L C 2.623 179.468 176.870 -0.041 0.000 1.072 27 L CA 1.603 56.396 54.840 -0.079 0.000 0.755 27 L CB -0.342 41.664 42.059 -0.090 0.000 0.888 27 L HN 0.275 nan 8.230 nan 0.000 0.432 28 R N -0.609 119.872 120.500 -0.032 0.000 2.113 28 R HA -0.244 4.096 4.340 0.000 0.000 0.244 28 R C 2.319 178.623 176.300 0.006 0.000 1.142 28 R CA 1.788 57.879 56.100 -0.014 0.000 0.953 28 R CB -0.470 29.820 30.300 -0.016 0.000 0.860 28 R HN 0.405 nan 8.270 nan 0.000 0.438 29 R N 0.370 120.870 120.500 0.000 0.000 2.091 29 R HA -0.163 4.177 4.340 0.000 0.000 0.238 29 R C 2.328 178.666 176.300 0.063 0.000 1.136 29 R CA 1.367 57.477 56.100 0.017 0.000 0.959 29 R CB -0.422 29.865 30.300 -0.022 0.000 0.856 29 R HN 0.118 nan 8.270 nan 0.000 0.437 30 L N 0.436 121.682 121.223 0.039 0.000 2.027 30 L HA -0.129 4.211 4.340 0.000 0.000 0.206 30 L C 2.023 178.978 176.870 0.143 0.000 1.074 30 L CA 1.556 56.456 54.840 0.100 0.000 0.745 30 L CB -0.520 41.554 42.059 0.026 0.000 0.898 30 L HN -0.071 nan 8.230 nan 0.000 0.433 31 V N -0.107 119.847 119.914 0.066 0.000 2.231 31 V HA -0.351 3.769 4.120 0.000 0.000 0.248 31 V C 2.728 178.863 176.094 0.068 0.000 1.054 31 V CA 2.050 64.380 62.300 0.050 0.000 1.015 31 V CB -0.758 31.073 31.823 0.014 0.000 0.638 31 V HN 0.541 nan 8.190 nan 0.000 0.444 32 Q N -1.239 118.606 119.800 0.074 0.000 2.170 32 Q HA -0.189 4.151 4.340 0.000 0.000 0.203 32 Q C 2.029 178.100 176.000 0.118 0.000 0.976 32 Q CA 1.684 57.530 55.803 0.073 0.000 0.858 32 Q CB -0.591 28.186 28.738 0.065 0.000 0.907 32 Q HN 0.703 nan 8.270 nan 0.000 0.433 33 F N 1.961 121.920 119.950 0.016 0.000 2.234 33 F HA -0.101 4.427 4.527 0.000 0.000 0.299 33 F C 1.727 177.563 175.800 0.061 0.000 1.087 33 F CA 0.957 58.979 58.000 0.036 0.000 1.340 33 F CB -0.092 38.931 39.000 0.040 0.000 1.031 33 F HN 0.069 nan 8.300 nan 0.000 0.500 34 N N 0.562 119.267 118.700 0.008 0.000 2.142 34 N HA -0.141 4.599 4.740 0.000 0.000 0.186 34 N C 1.853 177.314 175.510 -0.080 0.000 1.023 34 N CA 1.439 54.452 53.050 -0.062 0.000 0.852 34 N CB -0.252 38.259 38.487 0.040 0.000 0.998 34 N HN 0.240 nan 8.380 nan 0.000 0.424 35 I N 2.281 122.829 120.570 -0.038 0.000 2.163 35 I HA -0.243 3.927 4.170 0.000 0.000 0.243 35 I C 2.367 178.446 176.117 -0.064 0.000 1.085 35 I CA 1.149 62.428 61.300 -0.034 0.000 1.347 35 I CB -0.776 37.216 38.000 -0.014 0.000 1.044 35 I HN 0.147 nan 8.210 nan 0.000 0.408 36 Q N -0.243 119.502 119.800 -0.091 0.000 2.152 36 Q HA -0.279 4.061 4.340 0.000 0.000 0.206 36 Q C 2.198 178.102 176.000 -0.159 0.000 0.985 36 Q CA 1.565 57.299 55.803 -0.114 0.000 0.863 36 Q CB -0.300 28.374 28.738 -0.108 0.000 0.904 36 Q HN 0.642 nan 8.270 nan 0.000 0.422 37 Q N -0.971 118.703 119.800 -0.210 0.000 2.172 37 Q HA -0.022 4.318 4.340 0.000 0.000 0.200 37 Q C 0.799 176.790 176.000 -0.016 0.000 0.964 37 Q CA 0.825 56.565 55.803 -0.104 0.000 0.855 37 Q CB 0.366 29.079 28.738 -0.040 0.000 0.918 37 Q HN 0.542 nan 8.270 nan 0.000 0.444 38 G N 1.160 109.942 108.800 -0.030 0.000 2.226 38 G HA2 -0.186 3.775 3.960 0.000 0.000 0.176 38 G HA3 -0.186 3.775 3.960 0.000 0.000 0.176 38 G C -0.420 174.483 174.900 0.005 0.000 1.042 38 G CA -0.470 44.626 45.100 -0.006 0.000 0.732 38 G HN 0.183 nan 8.290 nan 0.000 0.494 39 I N 0.578 121.148 120.570 -0.000 0.000 2.638 39 I HA 0.379 4.549 4.170 0.000 0.000 0.286 39 I C 1.118 177.248 176.117 0.021 0.000 1.088 39 I CA -0.480 60.826 61.300 0.010 0.000 1.397 39 I CB 0.798 38.811 38.000 0.022 0.000 1.414 39 I HN 0.150 nan 8.210 nan 0.000 0.566 40 D N 4.460 124.882 120.400 0.037 0.000 2.289 40 D HA 0.187 4.827 4.640 0.000 0.000 0.207 40 D C 0.575 176.907 176.300 0.053 0.000 0.966 40 D CA 0.853 54.882 54.000 0.050 0.000 0.868 40 D CB 0.289 41.133 40.800 0.074 0.000 0.943 40 D HN 0.658 nan 8.370 nan 0.000 0.514 41 G N -0.666 108.168 108.800 0.058 0.000 2.430 41 G HA2 0.514 4.475 3.960 0.000 0.000 0.300 41 G HA3 0.514 4.475 3.960 0.000 0.000 0.300 41 G C -2.005 172.932 174.900 0.062 0.000 1.330 41 G CA -0.824 44.308 45.100 0.054 0.000 0.813 41 G HN 0.031 nan 8.290 nan 0.000 0.487 42 L N -0.259 121.002 121.223 0.064 0.000 2.401 42 L HA 0.516 4.856 4.340 0.000 0.000 0.266 42 L C -1.488 175.442 176.870 0.100 0.000 0.991 42 L CA -0.984 53.898 54.840 0.072 0.000 0.818 42 L CB 2.730 44.819 42.059 0.050 0.000 1.321 42 L HN 0.626 nan 8.230 nan 0.000 0.413 43 Y N 2.834 123.091 120.300 -0.070 0.000 2.353 43 Y HA 0.609 5.160 4.550 0.000 0.000 0.340 43 Y C -0.831 175.019 175.900 -0.083 0.000 0.972 43 Y CA -0.480 57.553 58.100 -0.111 0.000 1.157 43 Y CB 1.495 39.811 38.460 -0.239 0.000 1.157 43 Y HN 0.272 nan 8.280 nan 0.000 0.495 44 V N 6.091 125.806 119.914 -0.331 0.000 2.680 44 V HA 0.699 4.819 4.120 0.000 0.000 0.309 44 V C 0.314 176.212 176.094 -0.326 0.000 1.052 44 V CA 0.135 62.289 62.300 -0.243 0.000 0.908 44 V CB 1.376 33.156 31.823 -0.071 0.000 1.001 44 V HN 1.070 nan 8.190 nan 0.000 0.431 45 G N 3.965 112.626 108.800 -0.232 0.000 2.132 45 G HA2 -0.089 3.871 3.960 0.000 0.000 0.228 45 G HA3 -0.089 3.871 3.960 0.000 0.000 0.228 45 G C 0.374 175.220 174.900 -0.091 0.000 1.000 45 G CA 0.305 45.293 45.100 -0.187 0.000 0.693 45 G HN 1.551 nan 8.290 nan 0.000 0.515 46 G N -0.952 107.756 108.800 -0.153 0.000 2.795 46 G HA2 0.648 4.609 3.960 0.000 0.000 0.267 46 G HA3 0.648 4.609 3.960 0.000 0.000 0.267 46 G C 1.223 176.049 174.900 -0.123 0.000 1.362 46 G CA 0.895 45.900 45.100 -0.157 0.000 1.048 46 G HN 0.615 nan 8.290 nan 0.000 0.547 47 S N -0.511 115.233 115.700 0.073 0.000 2.378 47 S HA -0.208 4.262 4.470 0.000 0.000 0.229 47 S C 2.452 177.007 174.600 -0.074 0.000 1.052 47 S CA 2.267 60.602 58.200 0.224 0.000 1.084 47 S CB -0.625 62.796 63.200 0.369 0.000 0.950 47 S HN 0.627 nan 8.310 nan 0.000 0.440 48 T N 1.003 115.408 114.554 -0.248 0.000 2.977 48 T HA -0.007 4.343 4.350 0.000 0.000 0.271 48 T C 1.653 175.941 174.700 -0.687 0.000 1.105 48 T CA 1.138 62.772 62.100 -0.776 0.000 1.116 48 T CB -0.403 68.218 68.868 -0.412 0.000 0.878 48 T HN 0.561 nan 8.240 nan 0.000 0.509 49 G N 0.524 109.101 108.800 -0.372 0.000 3.141 49 G HA2 0.151 4.111 3.960 0.000 0.000 0.218 49 G HA3 0.151 4.111 3.960 0.000 0.000 0.218 49 G C 0.194 174.979 174.900 -0.192 0.000 1.170 49 G CA -0.287 44.643 45.100 -0.283 0.000 0.769 49 G HN 0.560 nan 8.290 nan 0.000 0.546 50 E N -1.323 118.771 120.200 -0.177 0.000 2.586 50 E HA -0.298 4.052 4.350 0.000 0.000 0.259 50 E C 1.648 178.281 176.600 0.054 0.000 1.107 50 E CA 0.092 56.532 56.400 0.066 0.000 0.754 50 E CB -1.481 28.339 29.700 0.200 0.000 1.335 50 E HN 0.523 nan 8.360 nan 0.000 0.411 51 A N -0.268 122.461 122.820 -0.151 0.000 2.019 51 A HA -0.079 4.241 4.320 0.000 0.000 0.219 51 A C 1.428 178.852 177.584 -0.267 0.000 1.164 51 A CA 1.107 52.984 52.037 -0.267 0.000 0.644 51 A CB -0.302 18.436 19.000 -0.438 0.000 0.805 51 A HN 0.288 nan 8.150 nan 0.000 0.449 52 F N -1.655 118.419 119.950 0.207 0.000 2.811 52 F HA 0.192 4.719 4.527 0.000 0.000 0.301 52 F C 1.258 177.159 175.800 0.168 0.000 1.151 52 F CA 0.267 58.394 58.000 0.212 0.000 1.412 52 F CB 0.251 39.394 39.000 0.238 0.000 1.113 52 F HN 0.033 nan 8.300 nan 0.000 0.579 53 V N 0.145 120.206 119.914 0.246 0.000 2.909 53 V HA 0.286 4.406 4.120 0.000 0.000 0.362 53 V C -0.331 175.831 176.094 0.114 0.000 1.356 53 V CA 0.140 62.549 62.300 0.182 0.000 1.195 53 V CB -0.116 31.848 31.823 0.235 0.000 1.256 53 V HN 0.165 nan 8.190 nan 0.000 0.567 54 Q N 0.054 119.914 119.800 0.100 0.000 2.416 54 Q HA 0.534 4.874 4.340 0.000 0.000 0.281 54 Q C -0.352 175.680 176.000 0.054 0.000 1.067 54 Q CA -0.470 55.377 55.803 0.073 0.000 0.809 54 Q CB 2.722 31.506 28.738 0.078 0.000 1.418 54 Q HN 0.461 nan 8.270 nan 0.000 0.411 55 S N 0.182 115.907 115.700 0.041 0.000 2.645 55 S HA 0.339 4.810 4.470 0.000 0.000 0.266 55 S C 1.125 175.734 174.600 0.017 0.000 1.258 55 S CA -0.645 57.573 58.200 0.031 0.000 0.990 55 S CB 0.498 63.713 63.200 0.025 0.000 0.967 55 S HN 0.660 nan 8.310 nan 0.000 0.556 56 L N 1.238 122.467 121.223 0.010 0.000 2.046 56 L HA -0.116 4.224 4.340 0.000 0.000 0.208 56 L C 3.123 179.988 176.870 -0.008 0.000 1.077 56 L CA 1.631 56.467 54.840 -0.007 0.000 0.747 56 L CB -0.954 41.101 42.059 -0.008 0.000 0.896 56 L HN 0.977 nan 8.230 nan 0.000 0.432 57 S N -0.450 115.251 115.700 0.002 0.000 2.383 57 S HA -0.207 4.263 4.470 0.000 0.000 0.227 57 S C 1.745 176.349 174.600 0.008 0.000 1.026 57 S CA 1.222 59.426 58.200 0.007 0.000 0.981 57 S CB -0.317 62.889 63.200 0.011 0.000 0.818 57 S HN 0.459 nan 8.310 nan 0.000 0.472 58 E N 1.061 121.269 120.200 0.013 0.000 2.110 58 E HA -0.090 4.260 4.350 0.000 0.000 0.193 58 E C 2.526 179.125 176.600 -0.002 0.000 0.988 58 E CA 1.061 57.474 56.400 0.021 0.000 0.804 58 E CB -0.115 29.614 29.700 0.048 0.000 0.745 58 E HN 0.565 nan 8.360 nan 0.000 0.458 59 R N 0.435 120.923 120.500 -0.019 0.000 2.073 59 R HA -0.094 4.246 4.340 0.000 0.000 0.234 59 R C 2.431 178.692 176.300 -0.065 0.000 1.134 59 R CA 1.145 57.211 56.100 -0.057 0.000 0.952 59 R CB -0.357 29.895 30.300 -0.079 0.000 0.850 59 R HN 0.100 nan 8.270 nan 0.000 0.433 60 A N 1.256 124.053 122.820 -0.038 0.000 1.883 60 A HA -0.289 4.031 4.320 0.000 0.000 0.217 60 A C 2.143 179.726 177.584 -0.003 0.000 1.186 60 A CA 1.707 53.742 52.037 -0.003 0.000 0.624 60 A CB -0.702 18.317 19.000 0.031 0.000 0.822 60 A HN 0.449 nan 8.150 nan 0.000 0.444 61 Q N -0.239 119.554 119.800 -0.012 0.000 2.135 61 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 61 Q C 1.859 177.821 176.000 -0.063 0.000 0.981 61 Q CA 2.079 57.863 55.803 -0.032 0.000 0.856 61 Q CB -0.227 28.504 28.738 -0.012 0.000 0.902 61 Q HN 0.427 nan 8.270 nan 0.000 0.425 62 V N 0.986 120.865 119.914 -0.058 0.000 2.379 62 V HA -0.242 3.878 4.120 0.000 0.000 0.245 62 V C 2.374 178.441 176.094 -0.046 0.000 1.044 62 V CA 1.257 63.517 62.300 -0.065 0.000 1.036 62 V CB -0.472 31.303 31.823 -0.081 0.000 0.664 62 V HN 0.385 nan 8.190 nan 0.000 0.453 63 L N -0.062 121.130 121.223 -0.052 0.000 2.012 63 L HA -0.260 4.080 4.340 0.000 0.000 0.210 63 L C 2.605 179.524 176.870 0.083 0.000 1.073 63 L CA 2.225 57.090 54.840 0.041 0.000 0.748 63 L CB -0.596 41.394 42.059 -0.115 0.000 0.891 63 L HN 0.441 nan 8.230 nan 0.000 0.431 64 E N 0.466 120.516 120.200 -0.251 0.000 2.031 64 E HA -0.240 4.111 4.350 0.000 0.000 0.193 64 E C 2.330 178.792 176.600 -0.229 0.000 0.994 64 E CA 1.246 57.307 56.400 -0.566 0.000 0.800 64 E CB 0.120 29.385 29.700 -0.725 0.000 0.752 64 E HN 0.323 nan 8.360 nan 0.000 0.447 65 I N 0.958 121.446 120.570 -0.136 0.000 2.163 65 I HA -0.252 3.918 4.170 0.000 0.000 0.243 65 I C 2.539 178.620 176.117 -0.061 0.000 1.085 65 I CA 0.964 62.214 61.300 -0.083 0.000 1.347 65 I CB -1.112 36.850 38.000 -0.064 0.000 1.044 65 I HN 0.130 nan 8.210 nan 0.000 0.408 66 V N 1.407 121.304 119.914 -0.028 0.000 2.295 66 V HA -0.278 3.842 4.120 0.000 0.000 0.246 66 V C 2.864 178.915 176.094 -0.073 0.000 1.049 66 V CA 1.871 64.163 62.300 -0.013 0.000 1.024 66 V CB -1.190 30.671 31.823 0.063 0.000 0.648 66 V HN 0.471 nan 8.190 nan 0.000 0.447 67 A N 0.008 122.767 122.820 -0.102 0.000 1.851 67 A HA -0.291 4.029 4.320 0.000 0.000 0.216 67 A C 2.146 179.650 177.584 -0.133 0.000 1.195 67 A CA 2.113 54.015 52.037 -0.224 0.000 0.622 67 A CB -0.661 18.235 19.000 -0.172 0.000 0.831 67 A HN 0.635 nan 8.150 nan 0.000 0.444 68 E N -0.454 119.690 120.200 -0.093 0.000 2.171 68 E HA -0.210 4.140 4.350 0.000 0.000 0.197 68 E C 1.728 178.294 176.600 -0.057 0.000 0.997 68 E CA 1.271 57.633 56.400 -0.063 0.000 0.810 68 E CB -0.120 29.547 29.700 -0.055 0.000 0.738 68 E HN 0.573 nan 8.360 nan 0.000 0.467 69 E N -0.891 119.273 120.200 -0.060 0.000 2.385 69 E HA 0.044 4.394 4.350 0.000 0.000 0.194 69 E C 1.148 177.716 176.600 -0.053 0.000 1.013 69 E CA 0.637 57.010 56.400 -0.045 0.000 0.866 69 E CB 0.866 30.545 29.700 -0.034 0.000 0.832 69 E HN 0.248 nan 8.360 nan 0.000 0.500 70 A N 0.421 123.191 122.820 -0.083 0.000 2.530 70 A HA 0.078 4.398 4.320 0.000 0.000 0.214 70 A C 0.946 178.457 177.584 -0.122 0.000 1.352 70 A CA -0.348 51.635 52.037 -0.091 0.000 1.035 70 A CB 0.156 19.105 19.000 -0.086 0.000 1.296 70 A HN -0.026 nan 8.150 nan 0.000 0.563 71 K N 1.079 121.383 120.400 -0.160 0.000 2.160 71 K HA 0.283 4.603 4.320 0.000 0.000 0.263 71 K C 1.005 177.546 176.600 -0.097 0.000 1.120 71 K CA 1.077 57.264 56.287 -0.167 0.000 1.115 71 K CB -0.699 31.703 32.500 -0.163 0.000 0.971 71 K HN 0.677 nan 8.250 nan 0.000 0.400 72 G N 3.588 112.338 108.800 -0.082 0.000 3.898 72 G HA2 -0.233 3.727 3.960 0.000 0.000 0.196 72 G HA3 -0.233 3.727 3.960 0.000 0.000 0.196 72 G C 0.806 175.682 174.900 -0.039 0.000 1.322 72 G CA 0.056 45.125 45.100 -0.051 0.000 0.942 72 G HN 0.486 nan 8.290 nan 0.000 0.400 73 K N 1.445 121.821 120.400 -0.040 0.000 2.148 73 K HA 0.257 4.577 4.320 0.000 0.000 0.204 73 K C 1.240 177.827 176.600 -0.022 0.000 1.050 73 K CA 1.740 58.010 56.287 -0.028 0.000 0.942 73 K CB -0.328 32.156 32.500 -0.027 0.000 0.724 73 K HN 0.926 nan 8.250 nan 0.000 0.446 74 I N -4.299 116.253 120.570 -0.029 0.000 3.279 74 I HA 0.437 4.608 4.170 0.000 0.000 0.315 74 I C -1.042 175.062 176.117 -0.021 0.000 1.187 74 I CA -1.436 59.855 61.300 -0.015 0.000 0.953 74 I CB 1.558 39.553 38.000 -0.008 0.000 1.279 74 I HN -0.418 nan 8.210 nan 0.000 0.465 75 K N 1.807 122.211 120.400 0.006 0.000 2.185 75 K HA 0.595 4.915 4.320 0.000 0.000 0.271 75 K C -1.140 175.465 176.600 0.008 0.000 1.013 75 K CA -0.513 55.783 56.287 0.015 0.000 0.943 75 K CB 1.183 33.718 32.500 0.059 0.000 0.998 75 K HN 0.391 nan 8.250 nan 0.000 0.468 76 L N 3.359 124.581 121.223 -0.002 0.000 2.406 76 L HA 0.483 4.823 4.340 0.000 0.000 0.272 76 L C -0.468 176.549 176.870 0.245 0.000 0.980 76 L CA -0.286 54.571 54.840 0.028 0.000 0.831 76 L CB 1.238 43.092 42.059 -0.342 0.000 1.253 76 L HN 0.490 nan 8.230 nan 0.000 0.406 77 I N 2.576 123.303 120.570 0.262 0.000 2.441 77 I HA 0.687 4.857 4.170 0.000 0.000 0.295 77 I C 0.068 176.180 176.117 -0.009 0.000 0.994 77 I CA -0.749 60.665 61.300 0.191 0.000 1.144 77 I CB 2.083 40.176 38.000 0.154 0.000 1.314 77 I HN 0.677 nan 8.210 nan 0.000 0.445 78 A N 4.367 127.078 122.820 -0.183 0.000 2.273 78 A HA 0.358 4.678 4.320 0.000 0.000 0.320 78 A C -0.607 176.722 177.584 -0.425 0.000 1.358 78 A CA -0.400 51.320 52.037 -0.528 0.000 0.910 78 A CB -0.187 18.270 19.000 -0.906 0.000 1.159 78 A HN 0.770 nan 8.150 nan 0.000 0.526 79 H N 2.556 121.267 119.070 -0.598 0.000 2.955 79 H HA 0.330 4.886 4.556 0.000 0.000 0.290 79 H C 0.210 175.398 175.328 -0.234 0.000 1.047 79 H CA 0.355 56.165 56.048 -0.398 0.000 1.484 79 H CB 0.762 30.270 29.762 -0.422 0.000 1.501 79 H HN 0.198 nan 8.280 nan 0.000 0.521 80 V N 4.450 123.977 119.914 -0.644 0.000 3.528 80 V HA 0.237 4.357 4.120 0.000 0.000 0.294 80 V C 1.463 177.305 176.094 -0.420 0.000 1.404 80 V CA 0.530 62.560 62.300 -0.450 0.000 1.065 80 V CB 0.166 31.822 31.823 -0.278 0.000 0.904 80 V HN 0.970 nan 8.190 nan 0.000 0.435 81 G N -0.436 107.960 108.800 -0.674 0.000 2.398 81 G HA2 0.349 4.309 3.960 0.000 0.000 0.246 81 G HA3 0.349 4.309 3.960 0.000 0.000 0.246 81 G C -0.358 174.647 174.900 0.176 0.000 1.289 81 G CA 0.241 45.267 45.100 -0.123 0.000 0.869 81 G HN 0.374 nan 8.290 nan 0.000 0.543 82 C N 0.588 120.004 119.300 0.194 0.000 3.259 82 C HA 0.415 4.875 4.460 0.000 0.000 0.328 82 C C 1.696 176.700 174.990 0.024 0.000 1.425 82 C CA -0.501 58.634 59.018 0.196 0.000 1.465 82 C CB 1.404 29.203 27.740 0.098 0.000 1.890 82 C HN 0.524 nan 8.230 nan 0.000 0.450 83 V N 0.875 120.711 119.914 -0.130 0.000 2.407 83 V HA -0.050 4.070 4.120 0.000 0.000 0.245 83 V C 1.305 177.329 176.094 -0.117 0.000 1.041 83 V CA 1.761 63.902 62.300 -0.265 0.000 1.040 83 V CB -0.350 31.336 31.823 -0.229 0.000 0.671 83 V HN 0.851 nan 8.190 nan 0.000 0.455 84 S N -0.162 115.526 115.700 -0.021 0.000 2.533 84 S HA 0.020 4.491 4.470 0.000 0.000 0.282 84 S C 1.385 176.021 174.600 0.061 0.000 1.304 84 S CA 0.230 58.433 58.200 0.005 0.000 1.063 84 S CB 1.142 64.348 63.200 0.009 0.000 0.881 84 S HN 0.516 nan 8.310 nan 0.000 0.493 85 T N 5.309 119.896 114.554 0.054 0.000 2.732 85 T HA -0.031 4.319 4.350 0.000 0.000 0.261 85 T C 2.188 176.840 174.700 -0.079 0.000 1.040 85 T CA 1.263 63.362 62.100 -0.001 0.000 1.145 85 T CB -0.701 68.150 68.868 -0.028 0.000 0.866 85 T HN 0.788 nan 8.240 nan 0.000 0.427 86 A N 1.830 124.617 122.820 -0.055 0.000 1.927 86 A HA -0.250 4.070 4.320 0.000 0.000 0.220 86 A C 2.181 179.734 177.584 -0.051 0.000 1.185 86 A CA 2.056 54.060 52.037 -0.055 0.000 0.639 86 A CB -0.712 18.265 19.000 -0.039 0.000 0.820 86 A HN 0.611 nan 8.150 nan 0.000 0.451 87 E N -0.397 119.784 120.200 -0.032 0.000 2.106 87 E HA -0.097 4.253 4.350 0.000 0.000 0.192 87 E C 2.289 178.858 176.600 -0.052 0.000 0.984 87 E CA 1.136 57.519 56.400 -0.029 0.000 0.806 87 E CB -0.127 29.572 29.700 -0.003 0.000 0.750 87 E HN 0.619 nan 8.360 nan 0.000 0.458 88 S N 1.052 116.715 115.700 -0.062 0.000 2.383 88 S HA -0.174 4.296 4.470 0.000 0.000 0.227 88 S C 1.897 176.412 174.600 -0.141 0.000 1.026 88 S CA 0.957 59.090 58.200 -0.111 0.000 0.981 88 S CB -0.113 62.996 63.200 -0.151 0.000 0.818 88 S HN 0.278 nan 8.310 nan 0.000 0.472 89 Q N 0.775 120.496 119.800 -0.131 0.000 2.119 89 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 89 Q C 2.363 178.308 176.000 -0.092 0.000 0.972 89 Q CA 0.954 56.687 55.803 -0.117 0.000 0.847 89 Q CB -0.168 28.507 28.738 -0.104 0.000 0.903 89 Q HN 0.570 nan 8.270 nan 0.000 0.433 90 Q N 0.282 120.035 119.800 -0.078 0.000 2.061 90 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 90 Q C 1.837 177.792 176.000 -0.076 0.000 0.984 90 Q CA 1.028 56.792 55.803 -0.066 0.000 0.846 90 Q CB 0.101 28.809 28.738 -0.050 0.000 0.902 90 Q HN 0.249 nan 8.270 nan 0.000 0.421 91 L N 0.090 121.257 121.223 -0.094 0.000 2.141 91 L HA -0.077 4.263 4.340 0.000 0.000 0.209 91 L C 2.195 178.983 176.870 -0.138 0.000 1.094 91 L CA 1.708 56.477 54.840 -0.119 0.000 0.763 91 L CB -1.077 40.893 42.059 -0.148 0.000 0.908 91 L HN 0.230 nan 8.230 nan 0.000 0.437 92 A N -0.766 121.978 122.820 -0.127 0.000 1.873 92 A HA -0.116 4.204 4.320 0.000 0.000 0.215 92 A C 2.492 180.024 177.584 -0.087 0.000 1.186 92 A CA 1.622 53.591 52.037 -0.114 0.000 0.616 92 A CB -0.831 18.106 19.000 -0.105 0.000 0.823 92 A HN 0.374 nan 8.150 nan 0.000 0.442 93 A N -0.393 122.379 122.820 -0.080 0.000 1.933 93 A HA -0.075 4.245 4.320 0.000 0.000 0.218 93 A C 2.410 179.944 177.584 -0.083 0.000 1.175 93 A CA 2.104 54.099 52.037 -0.070 0.000 0.628 93 A CB -0.809 18.152 19.000 -0.064 0.000 0.814 93 A HN 0.469 nan 8.150 nan 0.000 0.444 94 S N 0.004 115.651 115.700 -0.089 0.000 2.402 94 S HA 0.029 4.499 4.470 0.000 0.000 0.229 94 S C 2.261 176.821 174.600 -0.068 0.000 1.021 94 S CA 0.980 59.121 58.200 -0.098 0.000 0.974 94 S CB -0.423 62.753 63.200 -0.039 0.000 0.800 94 S HN 0.792 nan 8.310 nan 0.000 0.484 95 A N 2.126 124.898 122.820 -0.081 0.000 1.877 95 A HA -0.171 4.149 4.320 0.000 0.000 0.216 95 A C 2.034 179.687 177.584 0.116 0.000 1.186 95 A CA 2.056 54.056 52.037 -0.063 0.000 0.620 95 A CB -0.568 18.332 19.000 -0.166 0.000 0.822 95 A HN 0.372 nan 8.150 nan 0.000 0.443 96 K N 0.020 120.435 120.400 0.026 0.000 1.985 96 K HA -0.123 4.198 4.320 0.000 0.000 0.210 96 K C 2.150 178.754 176.600 0.007 0.000 1.047 96 K CA 1.907 58.212 56.287 0.030 0.000 0.932 96 K CB -0.474 32.020 32.500 -0.009 0.000 0.716 96 K HN 0.371 nan 8.250 nan 0.000 0.439 97 R N -0.586 119.863 120.500 -0.086 0.000 2.134 97 R HA -0.177 4.163 4.340 0.000 0.000 0.248 97 R C 1.493 177.668 176.300 -0.209 0.000 1.143 97 R CA 1.968 57.949 56.100 -0.199 0.000 0.957 97 R CB -0.344 29.740 30.300 -0.360 0.000 0.867 97 R HN 0.455 nan 8.270 nan 0.000 0.441 98 H N -1.213 117.932 119.070 0.125 0.000 2.524 98 H HA 0.157 4.714 4.556 0.000 0.000 0.280 98 H C 0.553 175.927 175.328 0.077 0.000 1.018 98 H CA 0.728 56.852 56.048 0.128 0.000 1.165 98 H CB 0.290 30.191 29.762 0.232 0.000 1.411 98 H HN 0.491 nan 8.280 nan 0.000 0.569 99 G N 1.376 110.261 108.800 0.141 0.000 2.359 99 G HA2 -0.285 3.675 3.960 0.000 0.000 0.298 99 G HA3 -0.285 3.675 3.960 0.000 0.000 0.298 99 G C -0.367 174.539 174.900 0.009 0.000 1.030 99 G CA -0.151 44.987 45.100 0.063 0.000 1.149 99 G HN 0.203 nan 8.290 nan 0.000 0.512 100 F N -0.104 119.858 119.950 0.020 0.000 2.370 100 F HA 0.363 4.890 4.527 0.000 0.000 0.324 100 F C 1.632 177.439 175.800 0.012 0.000 1.116 100 F CA -0.429 57.579 58.000 0.013 0.000 1.123 100 F CB 0.833 39.833 39.000 0.001 0.000 1.238 100 F HN 0.143 nan 8.300 nan 0.000 0.536 101 D N 1.024 121.502 120.400 0.130 0.000 2.194 101 D HA 0.128 4.769 4.640 0.000 0.000 0.204 101 D C 0.291 176.668 176.300 0.129 0.000 0.964 101 D CA 1.001 55.059 54.000 0.098 0.000 0.846 101 D CB 0.214 41.056 40.800 0.071 0.000 0.962 101 D HN 0.394 nan 8.370 nan 0.000 0.490 102 A N -0.301 122.624 122.820 0.175 0.000 2.609 102 A HA 0.560 4.880 4.320 0.000 0.000 0.291 102 A C -1.058 176.595 177.584 0.115 0.000 1.096 102 A CA -0.559 51.562 52.037 0.139 0.000 0.684 102 A CB 1.545 20.634 19.000 0.148 0.000 1.282 102 A HN -0.090 nan 8.150 nan 0.000 0.412 103 V N 0.056 120.015 119.914 0.076 0.000 2.994 103 V HA 0.921 5.041 4.120 0.000 0.000 0.318 103 V C 0.241 176.383 176.094 0.081 0.000 1.085 103 V CA -0.092 62.218 62.300 0.016 0.000 0.998 103 V CB 2.090 33.909 31.823 -0.008 0.000 1.063 103 V HN 1.256 nan 8.190 nan 0.000 0.447 104 S N 0.835 116.575 115.700 0.066 0.000 2.547 104 S HA 0.860 5.330 4.470 0.000 0.000 0.270 104 S C -1.495 173.251 174.600 0.244 0.000 1.150 104 S CA 0.158 58.501 58.200 0.238 0.000 0.850 104 S CB 1.785 65.207 63.200 0.370 0.000 1.118 104 S HN 1.584 nan 8.310 nan 0.000 0.461 105 A N 2.414 125.515 122.820 0.468 0.000 2.480 105 A HA 0.610 4.930 4.320 0.000 0.000 0.289 105 A C -0.332 177.673 177.584 0.702 0.000 1.044 105 A CA -0.408 51.894 52.037 0.442 0.000 0.761 105 A CB 0.578 19.653 19.000 0.125 0.000 1.289 105 A HN 1.706 nan 8.150 nan 0.000 0.401 106 V N 0.988 121.458 119.914 0.928 0.000 3.032 106 V HA 0.451 4.571 4.120 0.000 0.000 0.307 106 V C 0.917 177.269 176.094 0.431 0.000 1.097 106 V CA 0.291 62.931 62.300 0.566 0.000 1.191 106 V CB -0.013 32.068 31.823 0.429 0.000 0.964 106 V HN 1.308 nan 8.190 nan 0.000 0.494 107 T N 2.093 116.852 114.554 0.342 0.000 2.867 107 T HA 0.219 4.569 4.350 0.000 0.000 0.297 107 T C -2.023 172.848 174.700 0.285 0.000 0.989 107 T CA -0.921 61.361 62.100 0.303 0.000 1.159 107 T CB 0.173 69.112 68.868 0.117 0.000 0.928 107 T HN 0.866 nan 8.240 nan 0.000 0.538 108 P HA 0.120 nan 4.420 nan 0.000 0.264 108 P C -0.320 177.125 177.300 0.242 0.000 1.193 108 P CA -0.207 62.856 63.100 -0.063 0.000 0.763 108 P CB 0.138 31.542 31.700 -0.493 0.000 0.810 109 F N 2.029 122.100 119.950 0.201 0.000 2.561 109 F HA 0.486 5.013 4.527 0.000 0.000 0.384 109 F C 1.779 177.669 175.800 0.149 0.000 1.131 109 F CA -1.229 56.854 58.000 0.139 0.000 1.133 109 F CB -0.653 38.346 39.000 -0.002 0.000 1.506 109 F HN 0.395 nan 8.300 nan 0.000 0.499 110 Y N -1.052 119.371 120.300 0.204 0.000 2.720 110 Y HA -0.400 4.150 4.550 0.000 0.000 0.481 110 Y C -0.239 175.513 175.900 -0.245 0.000 1.080 110 Y CA 1.558 59.609 58.100 -0.081 0.000 2.975 110 Y CB -1.804 36.518 38.460 -0.229 0.000 1.020 110 Y HN 0.505 nan 8.280 nan 0.000 0.585 111 Y N 4.451 124.731 120.300 -0.032 0.000 2.336 111 Y HA 0.365 4.916 4.550 0.000 0.000 0.331 111 Y C -1.830 173.630 175.900 -0.733 0.000 1.211 111 Y CA -1.829 56.020 58.100 -0.418 0.000 1.346 111 Y CB -0.140 37.970 38.460 -0.583 0.000 1.271 111 Y HN 0.050 nan 8.280 nan 0.000 0.538 112 P HA 0.260 nan 4.420 nan 0.000 0.285 112 P C -1.282 175.711 177.300 -0.512 0.000 1.259 112 P CA -0.019 62.891 63.100 -0.317 0.000 0.794 112 P CB 0.730 32.339 31.700 -0.152 0.000 0.940 113 F N 0.030 119.972 119.950 -0.013 0.000 2.577 113 F HA 0.336 4.863 4.527 0.000 0.000 0.318 113 F C 1.154 176.922 175.800 -0.054 0.000 1.065 113 F CA -0.546 57.365 58.000 -0.148 0.000 0.929 113 F CB 1.646 40.359 39.000 -0.479 0.000 1.237 113 F HN 0.250 nan 8.300 nan 0.000 0.468 114 S N 1.875 117.678 115.700 0.171 0.000 2.624 114 S HA 0.262 4.733 4.470 0.000 0.000 0.263 114 S C 1.095 175.842 174.600 0.245 0.000 1.287 114 S CA -0.733 57.569 58.200 0.169 0.000 0.990 114 S CB 0.753 64.020 63.200 0.112 0.000 0.950 114 S HN 0.836 nan 8.310 nan 0.000 0.561 115 L N 0.597 121.963 121.223 0.238 0.000 2.042 115 L HA -0.154 4.186 4.340 0.000 0.000 0.210 115 L C 2.677 179.674 176.870 0.212 0.000 1.076 115 L CA 1.923 56.916 54.840 0.256 0.000 0.749 115 L CB -0.712 41.444 42.059 0.161 0.000 0.893 115 L HN 0.865 nan 8.230 nan 0.000 0.432 116 E N -0.314 119.971 120.200 0.142 0.000 2.118 116 E HA -0.274 4.076 4.350 0.000 0.000 0.195 116 E C 1.942 178.597 176.600 0.091 0.000 0.992 116 E CA 1.560 58.023 56.400 0.105 0.000 0.804 116 E CB -0.035 29.710 29.700 0.075 0.000 0.741 116 E HN 0.621 nan 8.360 nan 0.000 0.458 117 E N -0.209 120.028 120.200 0.061 0.000 2.072 117 E HA -0.155 4.195 4.350 0.000 0.000 0.190 117 E C 1.943 178.516 176.600 -0.044 0.000 0.982 117 E CA 0.849 57.225 56.400 -0.040 0.000 0.803 117 E CB -0.114 29.525 29.700 -0.102 0.000 0.755 117 E HN 0.400 nan 8.360 nan 0.000 0.453 118 H N -0.421 118.697 119.070 0.081 0.000 2.352 118 H HA -0.126 4.430 4.556 0.000 0.000 0.299 118 H C 2.218 177.723 175.328 0.296 0.000 1.097 118 H CA 1.357 57.501 56.048 0.160 0.000 1.311 118 H CB -0.076 29.827 29.762 0.234 0.000 1.377 118 H HN 0.186 nan 8.280 nan 0.000 0.504 119 C N 0.519 120.015 119.300 0.328 0.000 2.413 119 C HA -0.150 4.311 4.460 0.000 0.000 0.277 119 C C 2.274 177.384 174.990 0.200 0.000 1.228 119 C CA 1.174 60.343 59.018 0.251 0.000 1.731 119 C CB -0.447 27.383 27.740 0.149 0.000 2.042 119 C HN 0.647 nan 8.230 nan 0.000 0.468 120 D N -1.026 119.447 120.400 0.123 0.000 2.218 120 D HA -0.121 4.519 4.640 0.000 0.000 0.204 120 D C 1.710 178.036 176.300 0.042 0.000 0.976 120 D CA 1.297 55.335 54.000 0.063 0.000 0.853 120 D CB -0.563 40.250 40.800 0.022 0.000 0.939 120 D HN 0.696 nan 8.370 nan 0.000 0.481 121 H N -0.754 118.285 119.070 -0.053 0.000 2.363 121 H HA -0.108 4.448 4.556 0.000 0.000 0.301 121 H C 1.629 176.867 175.328 -0.150 0.000 1.074 121 H CA 1.523 57.472 56.048 -0.166 0.000 1.354 121 H CB -0.177 29.412 29.762 -0.289 0.000 1.397 121 H HN 0.103 nan 8.280 nan 0.000 0.516 122 Y N 0.422 120.738 120.300 0.026 0.000 2.263 122 Y HA -0.060 4.490 4.550 0.000 0.000 0.292 122 Y C 2.707 178.572 175.900 -0.059 0.000 1.130 122 Y CA 1.272 59.359 58.100 -0.021 0.000 1.179 122 Y CB -0.095 38.405 38.460 0.066 0.000 0.998 122 Y HN 0.114 nan 8.280 nan 0.000 0.532 123 R N -0.165 120.398 120.500 0.104 0.000 2.083 123 R HA -0.198 4.142 4.340 0.000 0.000 0.237 123 R C 2.539 178.828 176.300 -0.019 0.000 1.137 123 R CA 1.329 57.454 56.100 0.042 0.000 0.951 123 R CB -0.736 29.586 30.300 0.036 0.000 0.851 123 R HN 0.326 nan 8.270 nan 0.000 0.434 124 A N 1.185 123.964 122.820 -0.067 0.000 1.883 124 A HA -0.181 4.139 4.320 0.000 0.000 0.217 124 A C 2.178 179.686 177.584 -0.127 0.000 1.186 124 A CA 1.510 53.485 52.037 -0.103 0.000 0.624 124 A CB -0.569 18.348 19.000 -0.138 0.000 0.822 124 A HN 0.223 nan 8.150 nan 0.000 0.444 125 I N -0.576 119.880 120.570 -0.189 0.000 2.315 125 I HA -0.216 3.954 4.170 0.000 0.000 0.248 125 I C 2.265 178.335 176.117 -0.077 0.000 1.117 125 I CA 1.046 62.243 61.300 -0.171 0.000 1.404 125 I CB -0.331 37.518 38.000 -0.252 0.000 1.071 125 I HN 0.290 nan 8.210 nan 0.000 0.419 126 I N 0.777 121.329 120.570 -0.030 0.000 2.163 126 I HA -0.343 3.827 4.170 0.000 0.000 0.243 126 I C 2.428 178.538 176.117 -0.012 0.000 1.085 126 I CA 1.634 62.937 61.300 0.005 0.000 1.347 126 I CB -0.494 37.525 38.000 0.031 0.000 1.044 126 I HN 0.321 nan 8.210 nan 0.000 0.408 127 D N 0.885 121.272 120.400 -0.022 0.000 2.106 127 D HA -0.188 4.452 4.640 0.000 0.000 0.191 127 D C 2.142 178.422 176.300 -0.032 0.000 0.997 127 D CA 1.966 55.951 54.000 -0.024 0.000 0.834 127 D CB -0.061 40.721 40.800 -0.029 0.000 0.956 127 D HN 0.175 nan 8.370 nan 0.000 0.448 128 S N -0.336 115.335 115.700 -0.048 0.000 2.474 128 S HA 0.034 4.504 4.470 0.000 0.000 0.235 128 S C 1.859 176.432 174.600 -0.046 0.000 0.997 128 S CA 0.710 58.878 58.200 -0.052 0.000 0.949 128 S CB -0.106 63.052 63.200 -0.071 0.000 0.766 128 S HN 0.479 nan 8.310 nan 0.000 0.517 129 A N 1.106 123.904 122.820 -0.037 0.000 2.206 129 A HA 0.142 4.462 4.320 0.000 0.000 0.211 129 A C 0.698 178.277 177.584 -0.010 0.000 1.158 129 A CA 0.484 52.507 52.037 -0.024 0.000 0.761 129 A CB -0.436 18.558 19.000 -0.011 0.000 0.801 129 A HN 0.410 nan 8.150 nan 0.000 0.473 130 D N -2.372 118.020 120.400 -0.013 0.000 2.904 130 D HA -0.064 4.576 4.640 0.000 0.000 0.231 130 D C 1.050 177.352 176.300 0.002 0.000 1.185 130 D CA 1.696 55.691 54.000 -0.008 0.000 0.783 130 D CB -1.352 39.441 40.800 -0.012 0.000 0.961 130 D HN 1.275 nan 8.370 nan 0.000 0.409 131 G N -0.084 108.720 108.800 0.006 0.000 2.267 131 G HA2 -0.330 3.630 3.960 0.000 0.000 0.257 131 G HA3 -0.330 3.630 3.960 0.000 0.000 0.257 131 G C 0.370 175.283 174.900 0.022 0.000 0.998 131 G CA 0.203 45.311 45.100 0.013 0.000 0.620 131 G HN 0.622 nan 8.290 nan 0.000 0.529 132 L N 3.423 124.662 121.223 0.027 0.000 2.485 132 L HA 0.380 4.720 4.340 0.000 0.000 0.275 132 L C -1.103 175.795 176.870 0.046 0.000 1.207 132 L CA -1.241 53.625 54.840 0.043 0.000 0.855 132 L CB 0.088 42.179 42.059 0.052 0.000 1.114 132 L HN 0.105 nan 8.230 nan 0.000 0.485 133 P HA 0.149 nan 4.420 nan 0.000 0.275 133 P C -0.773 176.574 177.300 0.080 0.000 1.227 133 P CA -0.668 62.468 63.100 0.060 0.000 0.781 133 P CB 1.033 32.771 31.700 0.062 0.000 0.906 134 M N 3.953 123.600 119.600 0.078 0.000 2.277 134 M HA 0.278 4.758 4.480 0.000 0.000 0.350 134 M C -1.286 175.088 176.300 0.125 0.000 1.180 134 M CA -0.350 55.017 55.300 0.112 0.000 1.103 134 M CB 0.825 33.502 32.600 0.128 0.000 1.577 134 M HN 0.032 nan 8.290 nan 0.000 0.459 135 V N 6.304 126.327 119.914 0.181 0.000 2.313 135 V HA 0.369 4.489 4.120 0.000 0.000 0.278 135 V C -0.493 175.744 176.094 0.239 0.000 1.017 135 V CA -0.860 61.563 62.300 0.205 0.000 0.823 135 V CB 1.130 33.108 31.823 0.257 0.000 1.010 135 V HN 0.744 nan 8.190 nan 0.000 0.443 136 V N 5.404 125.398 119.914 0.134 0.000 2.715 136 V HA 0.169 4.289 4.120 0.000 0.000 0.299 136 V C -0.399 175.863 176.094 0.279 0.000 1.054 136 V CA -0.190 62.180 62.300 0.117 0.000 1.077 136 V CB 0.917 32.609 31.823 -0.218 0.000 0.972 136 V HN 0.720 nan 8.190 nan 0.000 0.484 137 Y N 5.424 125.865 120.300 0.234 0.000 2.338 137 Y HA 0.377 4.927 4.550 0.000 0.000 0.328 137 Y C -0.087 175.899 175.900 0.144 0.000 0.965 137 Y CA -1.823 56.385 58.100 0.181 0.000 1.208 137 Y CB 1.207 39.831 38.460 0.272 0.000 1.132 137 Y HN 0.741 nan 8.280 nan 0.000 0.469 138 N N 7.568 126.409 118.700 0.236 0.000 2.511 138 N HA 0.350 5.090 4.740 0.000 0.000 0.249 138 N C -1.453 174.006 175.510 -0.084 0.000 0.971 138 N CA -0.168 52.897 53.050 0.026 0.000 0.938 138 N CB 0.648 39.163 38.487 0.045 0.000 1.131 138 N HN 0.822 nan 8.380 nan 0.000 0.505 139 I N 5.923 126.346 120.570 -0.245 0.000 2.867 139 I HA 0.327 4.497 4.170 0.000 0.000 0.282 139 I C -2.169 173.856 176.117 -0.152 0.000 1.437 139 I CA -2.218 58.927 61.300 -0.258 0.000 0.918 139 I CB 1.484 39.170 38.000 -0.524 0.000 1.612 139 I HN 0.395 nan 8.210 nan 0.000 0.592 140 P HA -0.261 nan 4.420 nan 0.000 0.217 140 P C 1.582 178.869 177.300 -0.023 0.000 1.162 140 P CA 2.196 65.282 63.100 -0.022 0.000 0.901 140 P CB 0.215 31.926 31.700 0.018 0.000 0.793 141 A N -1.426 121.402 122.820 0.012 0.000 1.978 141 A HA -0.166 4.154 4.320 0.000 0.000 0.220 141 A C 2.126 179.685 177.584 -0.041 0.000 1.170 141 A CA 1.623 53.671 52.037 0.018 0.000 0.636 141 A CB -1.355 17.709 19.000 0.108 0.000 0.810 141 A HN 0.162 nan 8.150 nan 0.000 0.448 142 L N -1.032 120.133 121.223 -0.097 0.000 2.362 142 L HA 0.003 4.343 4.340 0.000 0.000 0.204 142 L C 2.773 179.472 176.870 -0.285 0.000 1.060 142 L CA 1.091 55.823 54.840 -0.179 0.000 0.827 142 L CB -0.456 41.492 42.059 -0.187 0.000 1.027 142 L HN 0.497 nan 8.230 nan 0.000 0.474 143 S N -0.114 115.440 115.700 -0.243 0.000 2.436 143 S HA 0.033 4.503 4.470 0.000 0.000 0.228 143 S C 1.715 176.290 174.600 -0.042 0.000 1.014 143 S CA 0.769 58.862 58.200 -0.178 0.000 0.950 143 S CB 0.074 63.248 63.200 -0.044 0.000 0.784 143 S HN 0.530 nan 8.310 nan 0.000 0.504 144 G N 0.305 109.075 108.800 -0.050 0.000 2.184 144 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 144 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 144 G C 0.040 174.947 174.900 0.012 0.000 0.975 144 G CA 0.159 45.245 45.100 -0.023 0.000 0.642 144 G HN 0.841 nan 8.290 nan 0.000 0.536 145 V N 1.002 120.934 119.914 0.030 0.000 2.334 145 V HA 0.466 4.586 4.120 0.000 0.000 0.267 145 V C 0.198 176.299 176.094 0.012 0.000 1.040 145 V CA -0.537 61.789 62.300 0.045 0.000 0.866 145 V CB 1.288 33.150 31.823 0.065 0.000 1.019 145 V HN 0.275 nan 8.190 nan 0.000 0.468 146 K N 5.751 126.161 120.400 0.016 0.000 2.267 146 K HA 0.538 4.858 4.320 0.000 0.000 0.282 146 K C -0.643 175.963 176.600 0.010 0.000 1.078 146 K CA 0.020 56.315 56.287 0.012 0.000 0.903 146 K CB 0.830 33.340 32.500 0.016 0.000 1.111 146 K HN 0.547 nan 8.250 nan 0.000 0.475 147 L N 2.887 124.111 121.223 0.002 0.000 2.292 147 L HA 0.351 4.691 4.340 0.000 0.000 0.284 147 L C 0.785 177.661 176.870 0.010 0.000 1.065 147 L CA -0.689 54.151 54.840 -0.001 0.000 0.806 147 L CB 1.278 43.327 42.059 -0.017 0.000 1.175 147 L HN 0.724 nan 8.230 nan 0.000 0.431 148 T N -0.613 113.951 114.554 0.018 0.000 2.849 148 T HA 0.200 4.550 4.350 0.000 0.000 0.284 148 T C 1.300 176.013 174.700 0.022 0.000 1.004 148 T CA -0.749 61.361 62.100 0.016 0.000 1.021 148 T CB 1.287 70.168 68.868 0.021 0.000 1.013 148 T HN 0.525 nan 8.240 nan 0.000 0.527 149 L N 1.127 122.355 121.223 0.009 0.000 2.013 149 L HA -0.042 4.298 4.340 0.000 0.000 0.212 149 L C 2.773 179.691 176.870 0.080 0.000 1.073 149 L CA 2.277 57.132 54.840 0.025 0.000 0.753 149 L CB -1.214 40.830 42.059 -0.025 0.000 0.890 149 L HN 1.053 nan 8.230 nan 0.000 0.432 150 G N -1.277 107.555 108.800 0.055 0.000 2.432 150 G HA2 -0.279 3.682 3.960 0.000 0.000 0.219 150 G HA3 -0.279 3.682 3.960 0.000 0.000 0.219 150 G C 1.399 176.380 174.900 0.135 0.000 1.135 150 G CA 0.519 45.669 45.100 0.083 0.000 0.767 150 G HN 0.484 nan 8.290 nan 0.000 0.550 151 Q N -0.396 119.457 119.800 0.088 0.000 2.123 151 Q HA 0.141 4.481 4.340 0.000 0.000 0.199 151 Q C 2.557 178.591 176.000 0.055 0.000 0.966 151 Q CA 0.559 56.407 55.803 0.074 0.000 0.845 151 Q CB -0.084 28.681 28.738 0.046 0.000 0.907 151 Q HN 0.500 nan 8.270 nan 0.000 0.439 152 I N -0.146 120.456 120.570 0.054 0.000 2.226 152 I HA -0.295 3.876 4.170 0.000 0.000 0.245 152 I C 2.203 178.327 176.117 0.012 0.000 1.100 152 I CA 1.160 62.466 61.300 0.010 0.000 1.374 152 I CB -0.285 37.728 38.000 0.023 0.000 1.057 152 I HN 0.224 nan 8.210 nan 0.000 0.413 153 Y N 1.962 122.282 120.300 0.034 0.000 2.053 153 Y HA -0.359 4.191 4.550 0.000 0.000 0.277 153 Y C 2.765 178.686 175.900 0.034 0.000 1.159 153 Y CA 2.504 60.669 58.100 0.108 0.000 1.125 153 Y CB -0.762 37.781 38.460 0.138 0.000 0.969 153 Y HN 0.071 nan 8.280 nan 0.000 0.492 154 T N 1.432 116.056 114.554 0.118 0.000 2.665 154 T HA -0.248 4.102 4.350 0.000 0.000 0.268 154 T C 2.011 176.654 174.700 -0.094 0.000 1.035 154 T CA 2.038 64.155 62.100 0.028 0.000 1.151 154 T CB -0.646 68.283 68.868 0.102 0.000 0.862 154 T HN 0.326 nan 8.240 nan 0.000 0.438 155 L N 1.194 122.350 121.223 -0.111 0.000 2.027 155 L HA -0.052 4.288 4.340 0.000 0.000 0.206 155 L C 2.744 179.455 176.870 -0.265 0.000 1.074 155 L CA 1.042 55.763 54.840 -0.199 0.000 0.745 155 L CB -0.770 41.132 42.059 -0.261 0.000 0.898 155 L HN 0.256 nan 8.230 nan 0.000 0.433 156 V N -3.682 116.048 119.914 -0.306 0.000 3.380 156 V HA -0.063 4.057 4.120 0.000 0.000 0.268 156 V C 1.812 177.710 176.094 -0.328 0.000 1.168 156 V CA 1.461 63.556 62.300 -0.343 0.000 1.156 156 V CB -1.143 30.403 31.823 -0.461 0.000 0.785 156 V HN 0.586 nan 8.190 nan 0.000 0.487 157 T N -2.449 111.903 114.554 -0.337 0.000 3.186 157 T HA 0.406 4.756 4.350 0.000 0.000 0.257 157 T C 0.210 174.817 174.700 -0.156 0.000 1.029 157 T CA -0.363 61.573 62.100 -0.273 0.000 0.916 157 T CB -0.075 68.545 68.868 -0.413 0.000 1.041 157 T HN 0.253 nan 8.240 nan 0.000 0.562 158 L N 4.117 125.260 121.223 -0.133 0.000 2.416 158 L HA 0.383 4.723 4.340 0.000 0.000 0.272 158 L C -2.011 174.831 176.870 -0.047 0.000 1.161 158 L CA -2.185 52.615 54.840 -0.066 0.000 0.845 158 L CB 0.395 42.423 42.059 -0.052 0.000 1.119 158 L HN 0.063 nan 8.230 nan 0.000 0.464 159 P HA 0.152 nan 4.420 nan 0.000 0.264 159 P C 0.568 177.866 177.300 -0.004 0.000 1.193 159 P CA 0.715 63.807 63.100 -0.013 0.000 0.763 159 P CB 0.841 32.539 31.700 -0.003 0.000 0.810 160 G N 1.732 110.530 108.800 -0.004 0.000 2.259 160 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 160 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 160 G C -0.076 174.830 174.900 0.010 0.000 1.001 160 G CA -0.183 44.922 45.100 0.009 0.000 0.627 160 G HN 0.535 nan 8.290 nan 0.000 0.501 161 V N 1.794 121.700 119.914 -0.013 0.000 2.508 161 V HA 0.557 4.677 4.120 0.000 0.000 0.281 161 V C 1.509 177.587 176.094 -0.027 0.000 1.041 161 V CA 1.122 63.407 62.300 -0.025 0.000 1.016 161 V CB 1.297 33.068 31.823 -0.087 0.000 0.984 161 V HN 0.688 nan 8.190 nan 0.000 0.478 162 G N 3.070 111.872 108.800 0.003 0.000 2.944 162 G HA2 0.627 4.587 3.960 0.000 0.000 0.220 162 G HA3 0.627 4.587 3.960 0.000 0.000 0.220 162 G C 0.211 175.110 174.900 -0.002 0.000 1.100 162 G CA 0.737 45.839 45.100 0.003 0.000 0.780 162 G HN 1.007 nan 8.290 nan 0.000 0.539 163 A N -0.758 122.072 122.820 0.017 0.000 2.599 163 A HA 0.745 5.065 4.320 0.000 0.000 0.290 163 A C -2.357 175.251 177.584 0.039 0.000 1.101 163 A CA -0.567 51.482 52.037 0.019 0.000 0.674 163 A CB 1.429 20.500 19.000 0.119 0.000 1.277 163 A HN 0.615 nan 8.150 nan 0.000 0.419 164 L N 0.325 121.571 121.223 0.040 0.000 2.409 164 L HA 0.631 4.971 4.340 0.000 0.000 0.272 164 L C -0.435 176.536 176.870 0.168 0.000 0.980 164 L CA -0.231 54.650 54.840 0.067 0.000 0.826 164 L CB 1.783 43.832 42.059 -0.016 0.000 1.268 164 L HN 0.701 nan 8.230 nan 0.000 0.407 165 K N 3.942 124.446 120.400 0.175 0.000 2.264 165 K HA 0.341 4.661 4.320 0.000 0.000 0.277 165 K C -0.808 175.874 176.600 0.137 0.000 1.067 165 K CA -0.512 55.837 56.287 0.102 0.000 0.900 165 K CB 0.773 33.107 32.500 -0.276 0.000 1.124 165 K HN 0.533 nan 8.250 nan 0.000 0.469 166 Q N 3.045 122.904 119.800 0.098 0.000 2.509 166 Q HA 0.136 4.476 4.340 0.000 0.000 0.230 166 Q C -0.949 175.069 176.000 0.030 0.000 1.089 166 Q CA -0.036 55.812 55.803 0.076 0.000 0.901 166 Q CB 1.394 30.170 28.738 0.064 0.000 1.208 166 Q HN 0.535 nan 8.270 nan 0.000 0.529 167 T N 1.322 115.874 114.554 -0.003 0.000 3.477 167 T HA 0.273 4.623 4.350 0.000 0.000 0.347 167 T C -0.095 174.513 174.700 -0.153 0.000 1.567 167 T CA -0.016 61.935 62.100 -0.248 0.000 1.169 167 T CB 0.039 68.730 68.868 -0.296 0.000 1.196 167 T HN 0.261 nan 8.240 nan 0.000 0.768 168 S N 0.681 116.430 115.700 0.081 0.000 2.540 168 S HA 0.615 5.085 4.470 0.000 0.000 0.275 168 S C 0.978 175.793 174.600 0.359 0.000 1.123 168 S CA -0.572 57.787 58.200 0.265 0.000 0.907 168 S CB 1.512 64.794 63.200 0.136 0.000 1.081 168 S HN 0.491 nan 8.310 nan 0.000 0.476 169 G N 1.470 110.457 108.800 0.312 0.000 3.141 169 G HA2 0.126 4.087 3.960 0.000 0.000 0.218 169 G HA3 0.126 4.087 3.960 0.000 0.000 0.218 169 G C 0.039 175.009 174.900 0.116 0.000 1.170 169 G CA -0.156 45.048 45.100 0.173 0.000 0.769 169 G HN 0.679 nan 8.290 nan 0.000 0.546 170 D N 1.183 121.656 120.400 0.121 0.000 2.435 170 D HA 0.125 4.765 4.640 0.000 0.000 0.230 170 D C 1.455 177.823 176.300 0.113 0.000 1.215 170 D CA -0.310 53.755 54.000 0.107 0.000 0.947 170 D CB 0.374 41.228 40.800 0.090 0.000 1.048 170 D HN 0.071 nan 8.370 nan 0.000 0.512 171 L N 3.392 124.686 121.223 0.119 0.000 2.610 171 L HA -0.097 4.243 4.340 0.000 0.000 0.232 171 L C 1.489 178.459 176.870 0.166 0.000 1.149 171 L CA 0.225 55.135 54.840 0.117 0.000 0.872 171 L CB -0.303 41.811 42.059 0.091 0.000 0.992 171 L HN 0.449 nan 8.230 nan 0.000 0.447 172 Y N 0.967 121.284 120.300 0.029 0.000 2.269 172 Y HA -0.169 4.381 4.550 0.000 0.000 0.294 172 Y C 2.549 178.467 175.900 0.030 0.000 1.120 172 Y CA 1.279 59.393 58.100 0.024 0.000 1.159 172 Y CB -0.255 38.217 38.460 0.020 0.000 1.024 172 Y HN 0.152 nan 8.280 nan 0.000 0.532 173 Q N -0.538 119.247 119.800 -0.025 0.000 2.124 173 Q HA -0.225 4.116 4.340 0.000 0.000 0.202 173 Q C 2.266 178.249 176.000 -0.029 0.000 0.977 173 Q CA 1.869 57.604 55.803 -0.112 0.000 0.850 173 Q CB -0.149 28.562 28.738 -0.046 0.000 0.901 173 Q HN 0.506 nan 8.270 nan 0.000 0.429 174 M N 1.118 120.737 119.600 0.031 0.000 2.065 174 M HA -0.243 4.237 4.480 0.000 0.000 0.259 174 M C 1.766 178.088 176.300 0.036 0.000 1.069 174 M CA 2.386 57.711 55.300 0.041 0.000 1.110 174 M CB -0.277 32.356 32.600 0.055 0.000 1.328 174 M HN 0.291 nan 8.290 nan 0.000 0.405 175 E N -0.481 119.752 120.200 0.056 0.000 2.110 175 E HA -0.235 4.115 4.350 0.000 0.000 0.193 175 E C 1.826 178.447 176.600 0.034 0.000 0.988 175 E CA 1.937 58.374 56.400 0.060 0.000 0.804 175 E CB -0.821 28.944 29.700 0.108 0.000 0.745 175 E HN 0.756 nan 8.360 nan 0.000 0.458 176 Q N 0.001 119.790 119.800 -0.017 0.000 2.167 176 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 176 Q C 2.321 178.316 176.000 -0.008 0.000 0.970 176 Q CA 1.464 57.230 55.803 -0.060 0.000 0.855 176 Q CB -0.132 28.483 28.738 -0.205 0.000 0.911 176 Q HN 0.425 nan 8.270 nan 0.000 0.438 177 I N 0.258 120.847 120.570 0.032 0.000 2.252 177 I HA -0.250 3.920 4.170 0.000 0.000 0.245 177 I C 2.506 178.710 176.117 0.145 0.000 1.102 177 I CA 0.807 62.186 61.300 0.132 0.000 1.385 177 I CB -0.114 37.946 38.000 0.101 0.000 1.064 177 I HN 0.105 nan 8.210 nan 0.000 0.414 178 R N 1.681 122.222 120.500 0.069 0.000 2.070 178 R HA -0.184 4.156 4.340 0.000 0.000 0.233 178 R C 2.325 178.641 176.300 0.028 0.000 1.137 178 R CA 1.777 57.907 56.100 0.049 0.000 0.945 178 R CB -0.688 29.626 30.300 0.024 0.000 0.845 178 R HN 0.169 nan 8.270 nan 0.000 0.430 179 R N 0.075 120.581 120.500 0.010 0.000 2.105 179 R HA -0.110 4.230 4.340 0.000 0.000 0.239 179 R C 1.847 178.114 176.300 -0.055 0.000 1.135 179 R CA 1.779 57.872 56.100 -0.012 0.000 0.967 179 R CB -0.144 30.154 30.300 -0.005 0.000 0.861 179 R HN 0.248 nan 8.270 nan 0.000 0.442 180 E N -0.181 119.957 120.200 -0.103 0.000 2.112 180 E HA -0.077 4.273 4.350 0.000 0.000 0.190 180 E C -0.028 176.296 176.600 -0.461 0.000 0.979 180 E CA 1.063 57.289 56.400 -0.291 0.000 0.814 180 E CB 0.216 29.686 29.700 -0.383 0.000 0.762 180 E HN 0.549 nan 8.360 nan 0.000 0.460 181 H N -0.184 118.912 119.070 0.043 0.000 2.423 181 H HA 0.153 4.709 4.556 0.000 0.000 0.237 181 H C -1.800 173.527 175.328 -0.002 0.000 1.391 181 H CA -1.402 54.657 56.048 0.018 0.000 1.453 181 H CB 1.051 30.809 29.762 -0.007 0.000 1.484 181 H HN 0.031 nan 8.280 nan 0.000 0.505 182 P HA -0.127 nan 4.420 nan 0.000 0.226 182 P C 0.322 177.639 177.300 0.028 0.000 1.153 182 P CA 1.010 64.129 63.100 0.032 0.000 0.777 182 P CB 0.711 32.419 31.700 0.013 0.000 0.794 183 D N -0.505 119.919 120.400 0.041 0.000 2.333 183 D HA 0.025 4.665 4.640 0.000 0.000 0.208 183 D C 0.963 177.266 176.300 0.006 0.000 0.984 183 D CA 0.020 54.032 54.000 0.021 0.000 0.873 183 D CB -0.004 40.810 40.800 0.024 0.000 0.935 183 D HN 0.170 nan 8.370 nan 0.000 0.521 184 L N 1.857 123.092 121.223 0.020 0.000 2.453 184 L HA 0.024 4.364 4.340 0.000 0.000 0.272 184 L C -0.262 176.563 176.870 -0.076 0.000 1.182 184 L CA -0.022 54.800 54.840 -0.029 0.000 0.858 184 L CB 1.045 43.085 42.059 -0.032 0.000 1.120 184 L HN -0.307 nan 8.230 nan 0.000 0.474 185 V N 7.077 126.917 119.914 -0.124 0.000 2.508 185 V HA 0.170 4.290 4.120 0.000 0.000 0.281 185 V C 0.312 176.213 176.094 -0.321 0.000 1.041 185 V CA -0.201 61.950 62.300 -0.247 0.000 1.016 185 V CB 0.819 32.470 31.823 -0.287 0.000 0.984 185 V HN 0.559 nan 8.190 nan 0.000 0.478 186 L N 6.301 127.318 121.223 -0.344 0.000 2.345 186 L HA 0.496 4.836 4.340 0.000 0.000 0.274 186 L C -1.263 175.459 176.870 -0.247 0.000 0.999 186 L CA -0.552 54.150 54.840 -0.229 0.000 0.849 186 L CB 1.307 43.306 42.059 -0.099 0.000 1.220 186 L HN 0.576 nan 8.230 nan 0.000 0.422 187 Y N 2.276 122.569 120.300 -0.011 0.000 2.313 187 Y HA 0.194 4.744 4.550 0.000 0.000 0.332 187 Y C 0.600 176.499 175.900 -0.002 0.000 1.071 187 Y CA -0.493 57.602 58.100 -0.008 0.000 1.169 187 Y CB 0.838 39.254 38.460 -0.074 0.000 1.192 187 Y HN 0.534 nan 8.280 nan 0.000 0.487 188 N N 1.240 120.060 118.700 0.201 0.000 2.497 188 N HA 0.209 4.949 4.740 0.000 0.000 0.271 188 N C 0.925 176.511 175.510 0.126 0.000 1.142 188 N CA 0.357 53.504 53.050 0.162 0.000 0.965 188 N CB 0.975 39.582 38.487 0.200 0.000 1.077 188 N HN 0.877 nan 8.380 nan 0.000 0.462 189 G N 2.009 110.824 108.800 0.026 0.000 2.656 189 G HA2 -0.032 3.929 3.960 0.000 0.000 0.211 189 G HA3 -0.032 3.929 3.960 0.000 0.000 0.211 189 G C -0.414 174.377 174.900 -0.180 0.000 1.137 189 G CA 0.209 45.227 45.100 -0.137 0.000 0.802 189 G HN 0.538 nan 8.290 nan 0.000 0.527 190 Y N 2.023 122.368 120.300 0.075 0.000 2.434 190 Y HA 0.299 4.849 4.550 0.000 0.000 0.341 190 Y C 0.718 176.693 175.900 0.126 0.000 0.965 190 Y CA -1.585 56.559 58.100 0.074 0.000 1.205 190 Y CB 1.356 39.863 38.460 0.078 0.000 1.121 190 Y HN 0.025 nan 8.280 nan 0.000 0.507 191 D N 1.421 121.965 120.400 0.240 0.000 2.158 191 D HA -0.211 4.429 4.640 0.000 0.000 0.197 191 D C 1.296 177.816 176.300 0.366 0.000 0.995 191 D CA 1.622 55.773 54.000 0.252 0.000 0.846 191 D CB 0.071 40.959 40.800 0.147 0.000 0.941 191 D HN 0.618 nan 8.370 nan 0.000 0.456 192 E N 0.045 120.407 120.200 0.271 0.000 2.401 192 E HA -0.054 4.296 4.350 0.000 0.000 0.199 192 E C 1.505 178.224 176.600 0.198 0.000 1.023 192 E CA 0.512 57.032 56.400 0.200 0.000 0.859 192 E CB -0.349 29.415 29.700 0.106 0.000 0.780 192 E HN 0.626 nan 8.360 nan 0.000 0.523 193 I N -4.106 116.615 120.570 0.253 0.000 3.813 193 I HA 0.317 4.487 4.170 0.000 0.000 0.323 193 I C 0.895 177.165 176.117 0.255 0.000 1.536 193 I CA -0.549 60.876 61.300 0.207 0.000 1.083 193 I CB 0.094 38.184 38.000 0.150 0.000 1.265 193 I HN -0.186 nan 8.210 nan 0.000 0.507 194 F N 3.068 123.137 119.950 0.198 0.000 2.043 194 F HA -0.284 4.243 4.527 0.000 0.000 0.297 194 F C 2.530 178.419 175.800 0.149 0.000 1.118 194 F CA 2.558 60.683 58.000 0.209 0.000 1.202 194 F CB -0.316 38.894 39.000 0.351 0.000 0.965 194 F HN 0.253 nan 8.300 nan 0.000 0.482 195 A N -0.415 122.510 122.820 0.175 0.000 1.869 195 A HA -0.268 4.052 4.320 0.000 0.000 0.218 195 A C 2.382 179.941 177.584 -0.043 0.000 1.203 195 A CA 2.670 54.719 52.037 0.019 0.000 0.638 195 A CB -1.534 17.520 19.000 0.091 0.000 0.831 195 A HN 0.479 nan 8.150 nan 0.000 0.450 196 S N -0.560 115.152 115.700 0.020 0.000 2.383 196 S HA -0.103 4.367 4.470 0.000 0.000 0.229 196 S C 2.032 176.628 174.600 -0.007 0.000 1.030 196 S CA 1.264 59.473 58.200 0.015 0.000 1.002 196 S CB -0.746 62.481 63.200 0.045 0.000 0.829 196 S HN 0.835 nan 8.310 nan 0.000 0.467 197 G N 1.574 110.366 108.800 -0.013 0.000 2.421 197 G HA2 -0.125 3.835 3.960 0.000 0.000 0.216 197 G HA3 -0.125 3.835 3.960 0.000 0.000 0.216 197 G C 1.319 176.162 174.900 -0.095 0.000 1.171 197 G CA 0.622 45.708 45.100 -0.023 0.000 0.775 197 G HN 0.456 nan 8.290 nan 0.000 0.543 198 L N -0.267 120.822 121.223 -0.223 0.000 2.093 198 L HA -0.000 4.340 4.340 0.000 0.000 0.208 198 L C 2.653 179.455 176.870 -0.112 0.000 1.085 198 L CA 0.291 55.001 54.840 -0.218 0.000 0.755 198 L CB -0.452 41.397 42.059 -0.350 0.000 0.904 198 L HN 0.190 nan 8.230 nan 0.000 0.435 199 L N 0.555 121.726 121.223 -0.087 0.000 2.079 199 L HA -0.141 4.199 4.340 0.000 0.000 0.210 199 L C 2.499 179.357 176.870 -0.019 0.000 1.081 199 L CA 1.980 56.795 54.840 -0.042 0.000 0.752 199 L CB -0.720 41.324 42.059 -0.025 0.000 0.896 199 L HN 0.158 nan 8.230 nan 0.000 0.433 200 A N -1.623 121.191 122.820 -0.010 0.000 2.168 200 A HA 0.378 4.698 4.320 0.000 0.000 0.215 200 A C 1.756 179.347 177.584 0.011 0.000 1.152 200 A CA 0.926 52.972 52.037 0.016 0.000 0.716 200 A CB -0.586 18.437 19.000 0.037 0.000 0.794 200 A HN 0.774 nan 8.150 nan 0.000 0.465 201 G N -2.901 105.891 108.800 -0.013 0.000 2.370 201 G HA2 0.271 4.231 3.960 0.000 0.000 0.174 201 G HA3 0.271 4.231 3.960 0.000 0.000 0.174 201 G C 0.307 175.189 174.900 -0.031 0.000 1.002 201 G CA -0.004 45.087 45.100 -0.014 0.000 0.730 201 G HN 1.271 nan 8.290 nan 0.000 0.497 202 A N 0.870 123.662 122.820 -0.046 0.000 2.407 202 A HA 0.564 4.885 4.320 0.000 0.000 0.248 202 A C 1.038 178.572 177.584 -0.083 0.000 1.082 202 A CA 0.878 52.879 52.037 -0.060 0.000 0.785 202 A CB 0.376 19.346 19.000 -0.051 0.000 1.020 202 A HN 0.623 nan 8.150 nan 0.000 0.489 203 D N 0.312 120.658 120.400 -0.090 0.000 2.398 203 D HA 0.392 5.032 4.640 0.000 0.000 0.210 203 D C 0.590 176.867 176.300 -0.038 0.000 1.094 203 D CA 0.707 54.662 54.000 -0.076 0.000 0.839 203 D CB 0.314 41.063 40.800 -0.084 0.000 0.963 203 D HN 0.731 nan 8.370 nan 0.000 0.506 204 G N -1.668 107.129 108.800 -0.005 0.000 2.731 204 G HA2 0.647 4.608 3.960 0.000 0.000 0.309 204 G HA3 0.647 4.608 3.960 0.000 0.000 0.309 204 G C -1.036 174.079 174.900 0.359 0.000 1.273 204 G CA -0.479 44.726 45.100 0.174 0.000 0.798 204 G HN 0.513 nan 8.290 nan 0.000 0.509 205 G N -1.095 108.037 108.800 0.553 0.000 2.655 205 G HA2 0.551 4.511 3.960 0.000 0.000 0.296 205 G HA3 0.551 4.511 3.960 0.000 0.000 0.296 205 G C -1.783 173.378 174.900 0.435 0.000 1.485 205 G CA -0.573 44.874 45.100 0.579 0.000 0.869 205 G HN 0.652 nan 8.290 nan 0.000 0.540 206 I N 1.136 121.738 120.570 0.054 0.000 2.447 206 I HA 0.710 4.880 4.170 0.000 0.000 0.287 206 I C 0.437 176.097 176.117 -0.761 0.000 1.023 206 I CA -0.588 60.499 61.300 -0.355 0.000 1.083 206 I CB 2.281 39.891 38.000 -0.650 0.000 1.245 206 I HN 0.769 nan 8.210 nan 0.000 0.434 207 G N 2.136 110.025 108.800 -1.517 0.000 2.690 207 G HA2 0.377 4.337 3.960 0.000 0.000 0.293 207 G HA3 0.377 4.337 3.960 0.000 0.000 0.293 207 G C 0.272 174.630 174.900 -0.904 0.000 1.399 207 G CA -0.015 44.275 45.100 -1.349 0.000 0.890 207 G HN 0.570 nan 8.290 nan 0.000 0.485 208 S N -1.156 114.282 115.700 -0.436 0.000 2.395 208 S HA -0.116 4.354 4.470 0.000 0.000 0.225 208 S C 2.212 176.752 174.600 -0.101 0.000 1.027 208 S CA 2.082 60.168 58.200 -0.190 0.000 0.965 208 S CB -0.587 62.613 63.200 0.001 0.000 0.812 208 S HN 1.226 nan 8.310 nan 0.000 0.482 209 T N -1.768 112.742 114.554 -0.072 0.000 3.113 209 T HA 0.058 4.408 4.350 0.000 0.000 0.263 209 T C 1.329 176.148 174.700 0.197 0.000 1.143 209 T CA 0.241 62.392 62.100 0.085 0.000 1.090 209 T CB -0.740 68.225 68.868 0.162 0.000 0.922 209 T HN 0.357 nan 8.240 nan 0.000 0.521 210 Y N 2.497 122.735 120.300 -0.102 0.000 2.333 210 Y HA 0.029 4.579 4.550 0.000 0.000 0.290 210 Y C 2.404 178.286 175.900 -0.031 0.000 1.144 210 Y CA -0.386 57.653 58.100 -0.101 0.000 1.228 210 Y CB -1.008 37.328 38.460 -0.206 0.000 0.985 210 Y HN 0.365 nan 8.280 nan 0.000 0.542 211 N N 0.713 119.509 118.700 0.160 0.000 2.149 211 N HA -0.150 4.591 4.740 0.000 0.000 0.188 211 N C 1.680 177.350 175.510 0.266 0.000 1.019 211 N CA 1.920 55.077 53.050 0.178 0.000 0.857 211 N CB -0.235 38.332 38.487 0.132 0.000 0.997 211 N HN 0.544 nan 8.380 nan 0.000 0.426 212 I N -2.208 118.472 120.570 0.183 0.000 3.956 212 I HA 0.256 4.426 4.170 0.000 0.000 0.333 212 I C 0.891 176.956 176.117 -0.086 0.000 1.302 212 I CA 0.132 61.559 61.300 0.211 0.000 1.122 212 I CB 0.148 38.242 38.000 0.158 0.000 1.013 212 I HN -0.069 nan 8.210 nan 0.000 0.405 213 M N -1.172 118.225 119.600 -0.337 0.000 4.935 213 M HA 0.472 4.952 4.480 0.000 0.000 0.606 213 M C 0.893 176.727 176.300 -0.776 0.000 2.179 213 M CA -0.057 54.562 55.300 -1.135 0.000 0.481 213 M CB -0.355 31.724 32.600 -0.868 0.000 1.473 213 M HN -0.076 nan 8.290 nan 0.000 0.645 214 G N 1.783 110.415 108.800 -0.279 0.000 2.507 214 G HA2 -0.250 3.711 3.960 0.000 0.000 0.221 214 G HA3 -0.250 3.711 3.960 0.000 0.000 0.221 214 G C 0.934 175.752 174.900 -0.136 0.000 1.119 214 G CA 1.715 46.746 45.100 -0.115 0.000 0.751 214 G HN 0.945 nan 8.290 nan 0.000 0.574 215 W N 0.781 122.032 121.300 -0.082 0.000 2.363 215 W HA 0.046 4.706 4.660 0.000 0.000 0.296 215 W C 2.399 178.842 176.519 -0.126 0.000 1.212 215 W CA 0.745 58.032 57.345 -0.096 0.000 1.260 215 W CB -0.407 29.003 29.460 -0.083 0.000 1.131 215 W HN 0.028 nan 8.180 nan 0.000 0.530 216 R N -0.370 119.777 120.500 -0.589 0.000 2.081 216 R HA -0.176 4.164 4.340 0.000 0.000 0.235 216 R C 2.144 178.163 176.300 -0.468 0.000 1.131 216 R CA 2.054 57.859 56.100 -0.492 0.000 0.960 216 R CB -1.016 28.846 30.300 -0.730 0.000 0.856 216 R HN 0.289 nan 8.270 nan 0.000 0.436 217 Y N 0.927 120.989 120.300 -0.397 0.000 2.200 217 Y HA -0.177 4.373 4.550 0.000 0.000 0.290 217 Y C 2.677 178.441 175.900 -0.227 0.000 1.137 217 Y CA 1.006 58.785 58.100 -0.535 0.000 1.163 217 Y CB -0.279 37.487 38.460 -1.157 0.000 0.988 217 Y HN -0.017 nan 8.280 nan 0.000 0.518 218 Q N -0.324 119.441 119.800 -0.058 0.000 2.135 218 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 218 Q C 2.575 178.614 176.000 0.065 0.000 0.981 218 Q CA 1.452 57.273 55.803 0.030 0.000 0.856 218 Q CB -0.951 27.808 28.738 0.036 0.000 0.902 218 Q HN 0.612 nan 8.270 nan 0.000 0.425 219 G N 0.553 109.378 108.800 0.042 0.000 2.422 219 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 219 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 219 G C 1.582 176.522 174.900 0.066 0.000 1.140 219 G CA 0.349 45.481 45.100 0.054 0.000 0.775 219 G HN 0.281 nan 8.290 nan 0.000 0.545 220 I N 0.393 121.018 120.570 0.092 0.000 2.202 220 I HA -0.157 4.013 4.170 0.000 0.000 0.242 220 I C 2.777 178.993 176.117 0.165 0.000 1.091 220 I CA 0.540 61.934 61.300 0.157 0.000 1.368 220 I CB -0.366 37.825 38.000 0.319 0.000 1.058 220 I HN 0.009 nan 8.210 nan 0.000 0.410 221 V N 1.203 121.256 119.914 0.233 0.000 2.324 221 V HA -0.355 3.765 4.120 0.000 0.000 0.250 221 V C 2.547 178.692 176.094 0.085 0.000 1.060 221 V CA 2.201 64.596 62.300 0.157 0.000 1.042 221 V CB -0.754 31.184 31.823 0.192 0.000 0.650 221 V HN 0.441 nan 8.190 nan 0.000 0.450 222 K N 0.145 120.592 120.400 0.078 0.000 2.057 222 K HA -0.128 4.192 4.320 0.000 0.000 0.206 222 K C 2.218 178.843 176.600 0.042 0.000 1.050 222 K CA 1.397 57.715 56.287 0.052 0.000 0.935 222 K CB -0.347 32.181 32.500 0.047 0.000 0.715 222 K HN 0.408 nan 8.250 nan 0.000 0.439 223 A N 1.207 124.056 122.820 0.047 0.000 1.978 223 A HA -0.131 4.189 4.320 0.000 0.000 0.220 223 A C 2.023 179.625 177.584 0.029 0.000 1.170 223 A CA 1.348 53.407 52.037 0.037 0.000 0.636 223 A CB -0.483 18.541 19.000 0.040 0.000 0.810 223 A HN 0.346 nan 8.150 nan 0.000 0.448 224 L N -1.619 119.623 121.223 0.030 0.000 2.307 224 L HA -0.023 4.317 4.340 0.000 0.000 0.211 224 L C 2.423 179.300 176.870 0.012 0.000 1.099 224 L CA 1.148 55.997 54.840 0.015 0.000 0.816 224 L CB -0.224 41.837 42.059 0.003 0.000 0.952 224 L HN 0.271 nan 8.230 nan 0.000 0.455 225 K N 1.315 121.725 120.400 0.017 0.000 2.001 225 K HA -0.147 4.173 4.320 0.000 0.000 0.208 225 K C 1.616 178.224 176.600 0.013 0.000 1.048 225 K CA 1.490 57.785 56.287 0.014 0.000 0.932 225 K CB -0.062 32.450 32.500 0.020 0.000 0.715 225 K HN 0.218 nan 8.250 nan 0.000 0.437 226 E N -0.212 119.997 120.200 0.016 0.000 2.526 226 E HA 0.066 4.416 4.350 0.000 0.000 0.198 226 E C 0.078 176.685 176.600 0.012 0.000 1.091 226 E CA 0.352 56.760 56.400 0.014 0.000 0.880 226 E CB -0.261 29.448 29.700 0.016 0.000 0.873 226 E HN 0.518 nan 8.360 nan 0.000 0.527 227 G N 3.251 112.057 108.800 0.011 0.000 2.370 227 G HA2 -0.278 3.683 3.960 0.000 0.000 0.293 227 G HA3 -0.278 3.683 3.960 0.000 0.000 0.293 227 G C -0.501 174.405 174.900 0.010 0.000 0.992 227 G CA 0.772 45.877 45.100 0.009 0.000 1.247 227 G HN 0.369 nan 8.290 nan 0.000 0.505 228 D N -0.078 120.330 120.400 0.013 0.000 2.468 228 D HA 0.310 4.951 4.640 0.000 0.000 0.272 228 D C 1.749 178.059 176.300 0.016 0.000 1.221 228 D CA -0.225 53.783 54.000 0.014 0.000 0.860 228 D CB -0.193 40.616 40.800 0.015 0.000 1.190 228 D HN 0.456 nan 8.370 nan 0.000 0.509 229 I N -0.494 120.084 120.570 0.013 0.000 2.335 229 I HA -0.202 3.968 4.170 0.000 0.000 0.251 229 I C 1.974 178.101 176.117 0.017 0.000 1.129 229 I CA 0.913 62.222 61.300 0.015 0.000 1.402 229 I CB -0.191 37.816 38.000 0.012 0.000 1.069 229 I HN 0.245 nan 8.210 nan 0.000 0.424 230 Q N 1.992 121.801 119.800 0.015 0.000 2.045 230 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 230 Q C 2.371 178.381 176.000 0.017 0.000 0.991 230 Q CA 3.421 59.233 55.803 0.015 0.000 0.851 230 Q CB -0.675 28.070 28.738 0.012 0.000 0.911 230 Q HN 0.781 nan 8.270 nan 0.000 0.418 231 T N -3.100 111.465 114.554 0.018 0.000 3.067 231 T HA 0.255 4.605 4.350 0.000 0.000 0.261 231 T C 1.698 176.412 174.700 0.023 0.000 1.110 231 T CA 0.632 62.744 62.100 0.020 0.000 1.113 231 T CB -0.158 68.723 68.868 0.021 0.000 0.917 231 T HN 0.276 nan 8.240 nan 0.000 0.499 232 A N 1.755 124.592 122.820 0.028 0.000 1.872 232 A HA -0.037 4.284 4.320 0.000 0.000 0.214 232 A C 2.479 180.086 177.584 0.037 0.000 1.187 232 A CA 1.299 53.360 52.037 0.040 0.000 0.614 232 A CB -0.699 18.327 19.000 0.042 0.000 0.826 232 A HN 0.582 nan 8.150 nan 0.000 0.442 233 Q N -0.318 119.500 119.800 0.030 0.000 2.020 233 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 233 Q C 2.006 178.018 176.000 0.020 0.000 0.982 233 Q CA 1.449 57.270 55.803 0.028 0.000 0.838 233 Q CB -0.197 28.555 28.738 0.023 0.000 0.899 233 Q HN 0.387 nan 8.270 nan 0.000 0.423 234 K N 0.765 121.175 120.400 0.015 0.000 2.113 234 K HA -0.144 4.176 4.320 0.000 0.000 0.208 234 K C 2.064 178.663 176.600 -0.001 0.000 1.047 234 K CA 1.060 57.353 56.287 0.010 0.000 0.928 234 K CB -0.422 32.085 32.500 0.012 0.000 0.716 234 K HN 0.280 nan 8.250 nan 0.000 0.446 235 L N 0.511 121.730 121.223 -0.007 0.000 2.056 235 L HA -0.191 4.149 4.340 0.000 0.000 0.207 235 L C 2.707 179.535 176.870 -0.070 0.000 1.078 235 L CA 1.133 55.947 54.840 -0.044 0.000 0.749 235 L CB -0.356 41.674 42.059 -0.047 0.000 0.901 235 L HN 0.169 nan 8.230 nan 0.000 0.433 236 Q N -0.156 119.634 119.800 -0.017 0.000 2.167 236 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 236 Q C 1.975 177.980 176.000 0.010 0.000 0.970 236 Q CA 2.060 57.870 55.803 0.013 0.000 0.855 236 Q CB -0.199 28.587 28.738 0.080 0.000 0.911 236 Q HN 0.322 nan 8.270 nan 0.000 0.438 237 T N 0.848 115.407 114.554 0.008 0.000 2.788 237 T HA -0.109 4.241 4.350 0.000 0.000 0.268 237 T C 1.309 176.009 174.700 -0.000 0.000 1.044 237 T CA 1.330 63.437 62.100 0.011 0.000 1.139 237 T CB -0.131 68.744 68.868 0.011 0.000 0.867 237 T HN 0.290 nan 8.240 nan 0.000 0.454 238 E N 0.590 120.778 120.200 -0.019 0.000 2.072 238 E HA -0.046 4.305 4.350 0.000 0.000 0.190 238 E C 2.585 179.157 176.600 -0.047 0.000 0.982 238 E CA 0.566 56.949 56.400 -0.028 0.000 0.803 238 E CB -0.679 28.999 29.700 -0.037 0.000 0.755 238 E HN 0.475 nan 8.360 nan 0.000 0.453 239 C N 1.180 120.426 119.300 -0.089 0.000 2.413 239 C HA -0.102 4.358 4.460 0.000 0.000 0.276 239 C C 2.372 177.368 174.990 0.009 0.000 1.248 239 C CA 0.726 59.688 59.018 -0.094 0.000 1.742 239 C CB -1.319 26.317 27.740 -0.174 0.000 2.017 239 C HN 0.507 nan 8.230 nan 0.000 0.481 240 N N 0.206 118.922 118.700 0.026 0.000 2.331 240 N HA -0.101 4.640 4.740 0.000 0.000 0.180 240 N C 1.737 177.266 175.510 0.032 0.000 1.019 240 N CA 0.709 53.786 53.050 0.045 0.000 0.881 240 N CB -0.112 38.403 38.487 0.046 0.000 0.972 240 N HN 0.602 nan 8.380 nan 0.000 0.435 241 K N 0.809 121.221 120.400 0.021 0.000 2.097 241 K HA -0.065 4.255 4.320 0.000 0.000 0.206 241 K C 2.014 178.630 176.600 0.027 0.000 1.049 241 K CA 0.851 57.151 56.287 0.021 0.000 0.933 241 K CB -0.070 32.441 32.500 0.018 0.000 0.717 241 K HN 0.028 nan 8.250 nan 0.000 0.442 242 V N 1.780 121.710 119.914 0.026 0.000 2.323 242 V HA -0.201 3.919 4.120 0.000 0.000 0.244 242 V C 2.204 178.326 176.094 0.046 0.000 1.041 242 V CA 1.411 63.732 62.300 0.035 0.000 1.025 242 V CB -0.276 31.562 31.823 0.024 0.000 0.656 242 V HN 0.256 nan 8.190 nan 0.000 0.451 243 I N 0.129 120.732 120.570 0.055 0.000 2.335 243 I HA -0.252 3.919 4.170 0.000 0.000 0.251 243 I C 2.263 178.408 176.117 0.046 0.000 1.129 243 I CA 1.447 62.786 61.300 0.065 0.000 1.402 243 I CB -0.450 37.602 38.000 0.087 0.000 1.069 243 I HN 0.352 nan 8.210 nan 0.000 0.424 244 D N 0.659 121.081 120.400 0.037 0.000 2.104 244 D HA -0.192 4.448 4.640 0.000 0.000 0.194 244 D C 2.018 178.334 176.300 0.026 0.000 0.994 244 D CA 1.209 55.225 54.000 0.026 0.000 0.830 244 D CB -0.252 40.561 40.800 0.022 0.000 0.959 244 D HN 0.180 nan 8.370 nan 0.000 0.452 245 L N 0.667 121.909 121.223 0.032 0.000 2.017 245 L HA -0.101 4.239 4.340 0.000 0.000 0.208 245 L C 2.279 179.171 176.870 0.035 0.000 1.073 245 L CA 1.356 56.217 54.840 0.035 0.000 0.745 245 L CB -0.584 41.501 42.059 0.043 0.000 0.894 245 L HN 0.016 nan 8.230 nan 0.000 0.432 246 L N -1.025 120.222 121.223 0.041 0.000 2.127 246 L HA -0.240 4.100 4.340 0.000 0.000 0.211 246 L C 2.432 179.314 176.870 0.020 0.000 1.089 246 L CA 0.663 55.526 54.840 0.038 0.000 0.757 246 L CB -0.618 41.472 42.059 0.052 0.000 0.899 246 L HN 0.297 nan 8.230 nan 0.000 0.434 247 I N 0.150 120.731 120.570 0.019 0.000 2.202 247 I HA -0.251 3.919 4.170 0.000 0.000 0.242 247 I C 2.471 178.590 176.117 0.003 0.000 1.091 247 I CA 1.527 62.830 61.300 0.005 0.000 1.368 247 I CB -0.979 37.024 38.000 0.005 0.000 1.058 247 I HN 0.261 nan 8.210 nan 0.000 0.410 248 K N 0.430 120.836 120.400 0.011 0.000 2.074 248 K HA -0.194 4.126 4.320 0.000 0.000 0.209 248 K C 1.984 178.592 176.600 0.013 0.000 1.048 248 K CA 2.275 58.569 56.287 0.011 0.000 0.926 248 K CB -0.321 32.189 32.500 0.017 0.000 0.713 248 K HN 0.522 nan 8.250 nan 0.000 0.444 249 T N -2.624 111.941 114.554 0.018 0.000 3.043 249 T HA 0.167 4.517 4.350 0.000 0.000 0.263 249 T C 0.754 175.462 174.700 0.014 0.000 1.094 249 T CA 0.344 62.456 62.100 0.020 0.000 1.127 249 T CB 0.305 69.191 68.868 0.029 0.000 0.905 249 T HN 0.312 nan 8.240 nan 0.000 0.490 250 G N 0.389 109.189 108.800 0.001 0.000 3.367 250 G HA2 -0.026 3.934 3.960 0.000 0.000 0.686 250 G HA3 -0.026 3.934 3.960 0.000 0.000 0.686 250 G C 0.130 175.008 174.900 -0.036 0.000 1.146 250 G CA -0.376 44.713 45.100 -0.018 0.000 0.913 250 G HN 0.256 nan 8.290 nan 0.000 0.554 251 I N 2.119 122.630 120.570 -0.099 0.000 2.090 251 I HA -0.084 4.086 4.170 0.000 0.000 0.236 251 I C 2.639 178.802 176.117 0.076 0.000 1.064 251 I CA 1.443 62.712 61.300 -0.051 0.000 1.324 251 I CB -0.340 37.595 38.000 -0.109 0.000 1.044 251 I HN 0.545 nan 8.210 nan 0.000 0.399 252 F N 1.408 121.305 119.950 -0.087 0.000 2.102 252 F HA -0.187 4.340 4.527 0.000 0.000 0.298 252 F C 2.720 178.448 175.800 -0.119 0.000 1.105 252 F CA 1.526 59.441 58.000 -0.143 0.000 1.239 252 F CB -1.391 37.434 39.000 -0.292 0.000 0.991 252 F HN 0.147 nan 8.300 nan 0.000 0.474 253 R N 0.332 120.867 120.500 0.058 0.000 2.115 253 R HA -0.005 4.335 4.340 0.000 0.000 0.230 253 R C 2.323 178.631 176.300 0.014 0.000 1.111 253 R CA 1.468 57.581 56.100 0.021 0.000 0.976 253 R CB -1.397 28.912 30.300 0.015 0.000 0.870 253 R HN 0.273 nan 8.270 nan 0.000 0.445 254 G N 1.362 110.178 108.800 0.027 0.000 2.448 254 G HA2 -0.080 3.880 3.960 0.000 0.000 0.218 254 G HA3 -0.080 3.880 3.960 0.000 0.000 0.218 254 G C 1.468 176.390 174.900 0.036 0.000 1.135 254 G CA 0.287 45.404 45.100 0.028 0.000 0.784 254 G HN 0.178 nan 8.290 nan 0.000 0.543 255 L N -0.228 121.028 121.223 0.055 0.000 2.095 255 L HA 0.061 4.401 4.340 0.000 0.000 0.204 255 L C 2.904 179.789 176.870 0.024 0.000 1.080 255 L CA 0.935 55.809 54.840 0.057 0.000 0.759 255 L CB -0.252 41.853 42.059 0.077 0.000 0.914 255 L HN 0.112 nan 8.230 nan 0.000 0.439 256 K N -0.519 119.883 120.400 0.004 0.000 2.057 256 K HA -0.143 4.177 4.320 0.000 0.000 0.207 256 K C 2.097 178.665 176.600 -0.054 0.000 1.049 256 K CA 1.789 58.060 56.287 -0.027 0.000 0.931 256 K CB -0.301 32.181 32.500 -0.029 0.000 0.714 256 K HN 0.225 nan 8.250 nan 0.000 0.440 257 T N 1.077 115.578 114.554 -0.088 0.000 2.708 257 T HA -0.114 4.237 4.350 0.000 0.000 0.266 257 T C 1.991 176.568 174.700 -0.205 0.000 1.037 257 T CA 1.217 63.189 62.100 -0.213 0.000 1.146 257 T CB -0.148 68.607 68.868 -0.189 0.000 0.865 257 T HN -0.049 nan 8.240 nan 0.000 0.435 258 V N 1.561 121.451 119.914 -0.040 0.000 2.343 258 V HA -0.116 4.004 4.120 0.000 0.000 0.247 258 V C 2.479 178.600 176.094 0.044 0.000 1.051 258 V CA 1.423 63.762 62.300 0.065 0.000 1.036 258 V CB -0.646 31.239 31.823 0.102 0.000 0.654 258 V HN 0.460 nan 8.190 nan 0.000 0.451 259 L N -0.457 120.765 121.223 -0.003 0.000 2.131 259 L HA -0.218 4.123 4.340 0.000 0.000 0.210 259 L C 2.615 179.437 176.870 -0.079 0.000 1.092 259 L CA 1.890 56.689 54.840 -0.067 0.000 0.759 259 L CB -0.868 41.146 42.059 -0.075 0.000 0.903 259 L HN 0.523 nan 8.230 nan 0.000 0.435 260 H N -0.351 118.623 119.070 -0.160 0.000 2.357 260 H HA -0.191 4.365 4.556 0.000 0.000 0.301 260 H C 1.953 177.243 175.328 -0.062 0.000 1.082 260 H CA 1.650 57.601 56.048 -0.162 0.000 1.342 260 H CB 0.039 29.650 29.762 -0.252 0.000 1.389 260 H HN 0.241 nan 8.280 nan 0.000 0.511 261 Y N 0.129 120.465 120.300 0.061 0.000 2.616 261 Y HA -0.003 4.547 4.550 0.000 0.000 0.296 261 Y C 2.270 178.133 175.900 -0.062 0.000 1.154 261 Y CA 0.514 58.617 58.100 0.005 0.000 1.325 261 Y CB -0.211 38.295 38.460 0.076 0.000 1.007 261 Y HN 0.224 nan 8.280 nan 0.000 0.542 262 M N -0.920 118.704 119.600 0.041 0.000 2.383 262 M HA 0.041 4.521 4.480 0.000 0.000 0.247 262 M C -0.157 176.053 176.300 -0.151 0.000 1.117 262 M CA 0.388 55.660 55.300 -0.046 0.000 0.995 262 M CB 0.383 32.928 32.600 -0.092 0.000 1.480 262 M HN 0.068 nan 8.290 nan 0.000 0.485 263 D N -0.269 120.028 120.400 -0.173 0.000 2.945 263 D HA -0.157 4.483 4.640 0.000 0.000 0.225 263 D C 0.751 176.929 176.300 -0.204 0.000 1.158 263 D CA 0.418 54.299 54.000 -0.199 0.000 0.805 263 D CB -1.119 39.601 40.800 -0.134 0.000 1.098 263 D HN 0.238 nan 8.370 nan 0.000 0.426 264 V N -0.409 119.354 119.914 -0.252 0.000 2.581 264 V HA 0.105 4.225 4.120 0.000 0.000 0.240 264 V C 1.402 177.407 176.094 -0.149 0.000 1.054 264 V CA 0.771 62.915 62.300 -0.260 0.000 1.076 264 V CB 0.459 32.007 31.823 -0.459 0.000 0.748 264 V HN 0.158 nan 8.190 nan 0.000 0.474 265 I N -0.195 120.307 120.570 -0.114 0.000 2.460 265 I HA 0.269 4.439 4.170 0.000 0.000 0.298 265 I C 1.185 177.313 176.117 0.019 0.000 0.989 265 I CA -0.080 61.190 61.300 -0.050 0.000 1.173 265 I CB 2.086 40.060 38.000 -0.044 0.000 1.338 265 I HN 0.011 nan 8.210 nan 0.000 0.456 266 S N 3.629 119.347 115.700 0.030 0.000 2.335 266 S HA -0.004 4.466 4.470 0.000 0.000 0.216 266 S C 0.525 175.233 174.600 0.179 0.000 1.032 266 S CA 0.802 59.053 58.200 0.085 0.000 1.000 266 S CB 0.103 63.329 63.200 0.044 0.000 0.928 266 S HN 0.443 nan 8.310 nan 0.000 0.434 267 V N 3.650 123.614 119.914 0.084 0.000 2.443 267 V HA 0.297 4.417 4.120 0.000 0.000 0.293 267 V C -2.157 173.937 176.094 -0.001 0.000 1.021 267 V CA -1.626 60.687 62.300 0.023 0.000 0.848 267 V CB 1.825 33.666 31.823 0.029 0.000 0.998 267 V HN 0.217 nan 8.190 nan 0.000 0.424 268 P HA 0.037 nan 4.420 nan 0.000 0.271 268 P C -0.142 177.147 177.300 -0.019 0.000 1.535 268 P CA -0.047 63.009 63.100 -0.072 0.000 0.820 268 P CB 0.194 31.786 31.700 -0.179 0.000 1.606 269 L N 0.177 121.424 121.223 0.040 0.000 2.326 269 L HA 0.357 4.697 4.340 0.000 0.000 0.278 269 L C -0.454 176.532 176.870 0.194 0.000 1.092 269 L CA -0.248 54.642 54.840 0.083 0.000 0.810 269 L CB 0.605 42.706 42.059 0.069 0.000 1.153 269 L HN -0.054 nan 8.230 nan 0.000 0.439 270 C N 3.649 123.033 119.300 0.139 0.000 2.349 270 C HA 0.635 5.095 4.460 0.000 0.000 0.361 270 C C 0.453 175.477 174.990 0.057 0.000 1.189 270 C CA -0.902 58.211 59.018 0.159 0.000 2.155 270 C CB 1.325 29.059 27.740 -0.009 0.000 2.336 270 C HN 0.820 nan 8.230 nan 0.000 0.540 271 R N 1.283 121.749 120.500 -0.056 0.000 2.560 271 R HA 0.289 4.629 4.340 0.000 0.000 0.270 271 R C -0.284 176.092 176.300 0.128 0.000 1.074 271 R CA -0.588 55.432 56.100 -0.133 0.000 1.140 271 R CB 0.415 30.482 30.300 -0.388 0.000 1.073 271 R HN 0.536 nan 8.270 nan 0.000 0.527 272 K N 2.564 122.981 120.400 0.029 0.000 2.414 272 K HA 0.047 4.367 4.320 0.000 0.000 0.272 272 K C -1.280 175.317 176.600 -0.004 0.000 0.993 272 K CA -1.162 55.139 56.287 0.024 0.000 0.964 272 K CB 0.333 32.825 32.500 -0.013 0.000 0.925 272 K HN 0.483 nan 8.250 nan 0.000 0.487 273 P HA -0.008 nan 4.420 nan 0.000 0.247 273 P C -0.225 176.994 177.300 -0.134 0.000 1.225 273 P CA 0.078 63.102 63.100 -0.127 0.000 0.768 273 P CB 0.122 31.720 31.700 -0.171 0.000 1.020 274 F N 1.424 121.383 119.950 0.014 0.000 2.578 274 F HA 0.287 4.814 4.527 0.000 0.000 0.376 274 F C 1.869 177.673 175.800 0.007 0.000 1.085 274 F CA 0.489 58.502 58.000 0.021 0.000 1.260 274 F CB 0.137 39.174 39.000 0.062 0.000 1.095 274 F HN -0.070 nan 8.300 nan 0.000 0.573 275 G N 3.113 112.021 108.800 0.180 0.000 2.537 275 G HA2 0.608 4.568 3.960 0.000 0.000 0.297 275 G HA3 0.608 4.568 3.960 0.000 0.000 0.297 275 G C -2.730 172.229 174.900 0.099 0.000 1.310 275 G CA -1.323 43.837 45.100 0.100 0.000 1.027 275 G HN 0.390 nan 8.290 nan 0.000 0.505 276 P HA 0.375 nan 4.420 nan 0.000 0.278 276 P C -0.361 176.957 177.300 0.031 0.000 1.258 276 P CA -0.674 62.448 63.100 0.036 0.000 0.811 276 P CB 1.152 32.863 31.700 0.019 0.000 1.063 277 V N 1.621 121.544 119.914 0.015 0.000 2.637 277 V HA 0.018 4.138 4.120 0.000 0.000 0.296 277 V C 0.878 176.982 176.094 0.017 0.000 1.046 277 V CA -0.048 62.261 62.300 0.014 0.000 1.066 277 V CB 0.110 31.932 31.823 -0.000 0.000 0.968 277 V HN 0.608 nan 8.190 nan 0.000 0.483 278 D N 4.162 124.575 120.400 0.022 0.000 2.434 278 D HA -0.038 4.602 4.640 0.000 0.000 0.252 278 D C 1.241 177.557 176.300 0.027 0.000 1.185 278 D CA -0.086 53.928 54.000 0.022 0.000 0.886 278 D CB 1.068 41.881 40.800 0.022 0.000 1.148 278 D HN 0.558 nan 8.370 nan 0.000 0.483 279 E N 3.621 123.836 120.200 0.026 0.000 2.233 279 E HA -0.256 4.094 4.350 0.000 0.000 0.199 279 E C 1.707 178.330 176.600 0.039 0.000 1.004 279 E CA 1.086 57.505 56.400 0.032 0.000 0.819 279 E CB -0.181 29.534 29.700 0.026 0.000 0.738 279 E HN 0.724 nan 8.360 nan 0.000 0.478 280 K N -0.081 120.339 120.400 0.032 0.000 2.442 280 K HA -0.006 4.315 4.320 0.000 0.000 0.198 280 K C 1.859 178.483 176.600 0.040 0.000 1.042 280 K CA 1.175 57.481 56.287 0.032 0.000 0.958 280 K CB -0.130 32.385 32.500 0.024 0.000 0.766 280 K HN 0.015 nan 8.250 nan 0.000 0.474 281 C N 0.716 120.045 119.300 0.048 0.000 2.590 281 C HA 0.200 4.660 4.460 0.000 0.000 0.272 281 C C 2.092 177.137 174.990 0.091 0.000 1.338 281 C CA -0.444 58.610 59.018 0.059 0.000 1.746 281 C CB -0.710 27.061 27.740 0.052 0.000 2.020 281 C HN 0.388 nan 8.230 nan 0.000 0.531 282 L N 2.541 123.830 121.223 0.109 0.000 2.010 282 L HA -0.186 4.154 4.340 0.000 0.000 0.219 282 L C 0.061 177.028 176.870 0.161 0.000 1.077 282 L CA 2.599 57.556 54.840 0.195 0.000 0.773 282 L CB -2.302 39.875 42.059 0.196 0.000 0.892 282 L HN 0.194 nan 8.230 nan 0.000 0.436 283 P HA -0.238 nan 4.420 nan 0.000 0.217 283 P C 1.389 178.709 177.300 0.034 0.000 1.158 283 P CA 1.788 64.900 63.100 0.021 0.000 0.887 283 P CB 0.003 31.713 31.700 0.017 0.000 0.792 284 E N -0.319 119.916 120.200 0.057 0.000 2.051 284 E HA -0.120 4.230 4.350 0.000 0.000 0.192 284 E C 2.330 178.986 176.600 0.093 0.000 0.991 284 E CA 0.927 57.364 56.400 0.062 0.000 0.799 284 E CB -0.540 29.195 29.700 0.058 0.000 0.748 284 E HN 0.245 nan 8.360 nan 0.000 0.449 285 L N 0.949 122.260 121.223 0.145 0.000 2.131 285 L HA -0.194 4.147 4.340 0.000 0.000 0.210 285 L C 2.274 179.333 176.870 0.314 0.000 1.092 285 L CA 1.154 56.126 54.840 0.219 0.000 0.759 285 L CB -0.323 41.879 42.059 0.237 0.000 0.903 285 L HN 0.086 nan 8.230 nan 0.000 0.435 286 K N 0.345 120.856 120.400 0.185 0.000 2.031 286 K HA -0.030 4.290 4.320 0.000 0.000 0.205 286 K C 2.286 178.864 176.600 -0.038 0.000 1.049 286 K CA 1.199 57.390 56.287 -0.160 0.000 0.939 286 K CB -0.375 31.763 32.500 -0.602 0.000 0.717 286 K HN 0.183 nan 8.250 nan 0.000 0.438 287 A N 1.802 124.613 122.820 -0.015 0.000 1.978 287 A HA -0.166 4.154 4.320 0.000 0.000 0.220 287 A C 2.158 179.770 177.584 0.048 0.000 1.170 287 A CA 1.302 53.343 52.037 0.007 0.000 0.636 287 A CB -0.495 18.512 19.000 0.012 0.000 0.810 287 A HN 0.258 nan 8.150 nan 0.000 0.448 288 L N -0.601 120.670 121.223 0.081 0.000 2.068 288 L HA 0.120 4.460 4.340 0.000 0.000 0.204 288 L C 2.662 179.609 176.870 0.129 0.000 1.076 288 L CA 2.043 56.944 54.840 0.100 0.000 0.753 288 L CB -0.893 41.229 42.059 0.106 0.000 0.910 288 L HN 0.296 nan 8.230 nan 0.000 0.439 289 A N -0.844 122.072 122.820 0.159 0.000 1.978 289 A HA -0.233 4.087 4.320 0.000 0.000 0.220 289 A C 2.115 179.781 177.584 0.137 0.000 1.170 289 A CA 1.755 53.902 52.037 0.182 0.000 0.636 289 A CB -0.515 18.646 19.000 0.268 0.000 0.810 289 A HN 0.641 nan 8.150 nan 0.000 0.448 290 Q N -0.080 119.773 119.800 0.089 0.000 2.046 290 Q HA -0.227 4.113 4.340 0.000 0.000 0.200 290 Q C 2.323 178.368 176.000 0.075 0.000 0.975 290 Q CA 1.884 57.722 55.803 0.058 0.000 0.836 290 Q CB -0.664 28.084 28.738 0.017 0.000 0.896 290 Q HN 1.023 nan 8.270 nan 0.000 0.428 291 Q N -0.119 119.732 119.800 0.085 0.000 2.119 291 Q HA -0.074 4.267 4.340 0.000 0.000 0.201 291 Q C 1.937 178.024 176.000 0.145 0.000 0.972 291 Q CA 0.814 56.673 55.803 0.094 0.000 0.847 291 Q CB -0.239 28.549 28.738 0.084 0.000 0.903 291 Q HN 0.152 nan 8.270 nan 0.000 0.433 292 L N 0.580 121.925 121.223 0.203 0.000 2.131 292 L HA 0.034 4.374 4.340 0.000 0.000 0.210 292 L C 1.296 178.339 176.870 0.287 0.000 1.092 292 L CA 1.169 56.224 54.840 0.358 0.000 0.759 292 L CB -0.810 41.503 42.059 0.423 0.000 0.903 292 L HN 0.420 nan 8.230 nan 0.000 0.435 293 M N 1.195 120.901 119.600 0.178 0.000 2.429 293 M HA 0.134 4.614 4.480 0.000 0.000 0.334 293 M C 0.043 176.358 176.300 0.026 0.000 1.560 293 M CA 0.574 55.929 55.300 0.091 0.000 1.291 293 M CB -0.041 32.609 32.600 0.083 0.000 1.754 293 M HN 0.284 nan 8.290 nan 0.000 0.456 294 Q N 0.000 119.769 119.800 -0.052 0.000 2.315 294 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 294 Q CA 0.000 55.755 55.803 -0.081 0.000 1.022 294 Q CB 0.000 28.726 28.738 -0.020 0.000 1.108 294 Q HN 0.000 nan 8.270 nan 0.000 0.481