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 3k8z_1_C DATA FIRST_RESID 17 DATA SEQUENCE VLKSTQTVIH KALEKLGYPE EVYELLKEPM RLLTVKIPVR MDDGSVKIFT DATA SEQUENCE GYRAHNDSVG PTKGGIRFHP NVTEKEVKAL SIWMSLKCGI IDLPYGGGKG DATA SEQUENCE GIVCDPRDMS FRELERLSRG YVRAISQIVG PTKDVPAPDV FTNSQIMAWM DATA SEQUENCE MDEYSRIDEF NSPGFITGKP LVLGGSHGRE SATAKGVTIC IKEAAKKRGI DATA SEQUENCE DIKGARVVVQ GFGNAGSYLA KFMHDAGAKV VGISDAYGGL YDPEGLDIDY DATA SEQUENCE LLDRRDSFGT VTKLFNDTIT NQELLELDCD ILVPAAIENQ ITEENAHNIR DATA SEQUENCE AKIVVEAANG PTTLEGTKIL SDRDILLVPD VLASAGGVTV SYFEWVQNNQ DATA SEQUENCE GFYWSEEEVE EKLEKMMVKS FNNIYEMANN RRIDMRLAAY MVGVRKMAEA DATA SEQUENCE SRFRGWI 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.105 176.094 0.019 0.000 1.182 17 V CA 0.000 62.348 62.300 0.080 0.000 1.235 17 V CB 0.000 31.869 31.823 0.077 0.000 1.184 18 L N 1.341 122.527 121.223 -0.061 0.000 2.056 18 L HA 0.085 4.607 4.340 0.303 0.000 0.207 18 L C 2.277 179.111 176.870 -0.060 0.000 1.078 18 L CA 2.841 57.602 54.840 -0.132 0.000 0.749 18 L CB -0.684 41.295 42.059 -0.133 0.000 0.901 18 L HN 0.427 nan 8.230 nan 0.000 0.433 19 K N -0.813 119.575 120.400 -0.021 0.000 2.044 19 K HA -0.172 4.330 4.320 0.303 0.000 0.210 19 K C 2.161 178.777 176.600 0.026 0.000 1.049 19 K CA 1.943 58.234 56.287 0.006 0.000 0.927 19 K CB -0.245 32.257 32.500 0.003 0.000 0.713 19 K HN 0.382 nan 8.250 nan 0.000 0.443 20 S N -0.277 115.445 115.700 0.037 0.000 2.356 20 S HA -0.132 4.520 4.470 0.303 0.000 0.223 20 S C 1.847 176.500 174.600 0.089 0.000 1.032 20 S CA 1.805 60.041 58.200 0.060 0.000 1.005 20 S CB -0.423 62.829 63.200 0.088 0.000 0.867 20 S HN 0.438 nan 8.310 nan 0.000 0.449 21 T N 2.330 116.948 114.554 0.107 0.000 2.778 21 T HA -0.165 4.367 4.350 0.303 0.000 0.269 21 T C 1.812 176.624 174.700 0.187 0.000 1.050 21 T CA 1.311 63.508 62.100 0.162 0.000 1.137 21 T CB -0.283 68.453 68.868 -0.221 0.000 0.860 21 T HN 0.478 nan 8.240 nan 0.000 0.468 22 Q N 0.116 119.994 119.800 0.129 0.000 2.137 22 Q HA -0.029 4.493 4.340 0.303 0.000 0.198 22 Q C 2.644 178.797 176.000 0.255 0.000 0.960 22 Q CA 1.236 57.188 55.803 0.248 0.000 0.847 22 Q CB -0.187 28.688 28.738 0.228 0.000 0.915 22 Q HN 0.449 nan 8.270 nan 0.000 0.448 23 T N 0.469 115.085 114.554 0.102 0.000 2.708 23 T HA -0.122 4.410 4.350 0.303 0.000 0.266 23 T C 1.989 176.711 174.700 0.037 0.000 1.037 23 T CA 1.417 63.532 62.100 0.025 0.000 1.146 23 T CB -0.208 68.648 68.868 -0.019 0.000 0.865 23 T HN 0.054 nan 8.240 nan 0.000 0.435 24 V N 1.337 121.234 119.914 -0.028 0.000 2.427 24 V HA -0.067 4.235 4.120 0.303 0.000 0.248 24 V C 2.390 178.486 176.094 0.003 0.000 1.051 24 V CA 1.176 63.363 62.300 -0.188 0.000 1.048 24 V CB -0.648 30.769 31.823 -0.677 0.000 0.666 24 V HN 0.487 nan 8.190 nan 0.000 0.456 25 I N -0.517 120.210 120.570 0.261 0.000 2.252 25 I HA -0.236 4.116 4.170 0.303 0.000 0.245 25 I C 2.591 178.892 176.117 0.307 0.000 1.102 25 I CA 1.735 63.278 61.300 0.406 0.000 1.385 25 I CB -0.703 37.538 38.000 0.402 0.000 1.064 25 I HN 0.433 nan 8.210 nan 0.000 0.414 26 H N 1.856 121.034 119.070 0.181 0.000 2.290 26 H HA -0.235 4.537 4.556 0.360 0.000 0.298 26 H C 2.209 177.520 175.328 -0.029 0.000 1.087 26 H CA 2.195 58.206 56.048 -0.062 0.000 1.291 26 H CB 0.157 29.622 29.762 -0.496 0.000 1.369 26 H HN 0.058 nan 8.280 nan 0.000 0.492 27 K N 0.961 121.416 120.400 0.092 0.000 2.032 27 K HA -0.094 4.408 4.320 0.303 0.000 0.209 27 K C 2.320 178.931 176.600 0.019 0.000 1.048 27 K CA 1.726 58.034 56.287 0.036 0.000 0.927 27 K CB -0.869 31.642 32.500 0.019 0.000 0.712 27 K HN 0.309 nan 8.250 nan 0.000 0.441 28 A N 0.819 123.679 122.820 0.067 0.000 1.842 28 A HA -0.196 4.306 4.320 0.303 0.000 0.217 28 A C 2.058 179.704 177.584 0.102 0.000 1.206 28 A CA 1.982 54.085 52.037 0.109 0.000 0.630 28 A CB -1.098 18.029 19.000 0.212 0.000 0.839 28 A HN 0.301 nan 8.150 nan 0.000 0.447 29 L N 0.019 121.303 121.223 0.102 0.000 1.991 29 L HA -0.281 4.241 4.340 0.303 0.000 0.221 29 L C 2.562 179.508 176.870 0.127 0.000 1.079 29 L CA 2.605 57.519 54.840 0.124 0.000 0.778 29 L CB -1.224 40.864 42.059 0.047 0.000 0.893 29 L HN 0.732 nan 8.230 nan 0.000 0.437 30 E N -0.517 119.651 120.200 -0.053 0.000 2.058 30 E HA -0.319 4.213 4.350 0.303 0.000 0.194 30 E C 2.215 178.804 176.600 -0.018 0.000 0.997 30 E CA 1.632 57.986 56.400 -0.077 0.000 0.801 30 E CB -0.060 29.533 29.700 -0.179 0.000 0.746 30 E HN 0.241 nan 8.360 nan 0.000 0.450 31 K N 0.192 120.590 120.400 -0.003 0.000 2.218 31 K HA -0.138 4.364 4.320 0.303 0.000 0.205 31 K C 1.726 178.326 176.600 0.001 0.000 1.046 31 K CA 0.974 57.262 56.287 0.001 0.000 0.933 31 K CB -0.119 32.389 32.500 0.012 0.000 0.728 31 K HN 0.163 nan 8.250 nan 0.000 0.454 32 L N -0.824 120.418 121.223 0.031 0.000 2.591 32 L HA 0.255 4.777 4.340 0.303 0.000 0.228 32 L C 0.992 177.759 176.870 -0.173 0.000 1.133 32 L CA 0.794 55.624 54.840 -0.016 0.000 0.880 32 L CB 0.203 42.335 42.059 0.123 0.000 1.033 32 L HN 0.386 nan 8.230 nan 0.000 0.450 33 G N -1.655 107.078 108.800 -0.111 0.000 2.171 33 G HA2 -0.320 3.822 3.960 0.303 0.000 0.238 33 G HA3 -0.320 3.822 3.960 0.303 0.000 0.238 33 G C -0.141 174.640 174.900 -0.198 0.000 1.039 33 G CA -0.490 44.520 45.100 -0.150 0.000 0.759 33 G HN 0.165 nan 8.290 nan 0.000 0.501 34 Y N 0.135 120.410 120.300 -0.041 0.000 2.301 34 Y HA 0.505 5.237 4.550 0.303 0.000 0.325 34 Y C -1.273 174.608 175.900 -0.032 0.000 1.203 34 Y CA -2.033 56.047 58.100 -0.033 0.000 1.255 34 Y CB 0.745 39.191 38.460 -0.023 0.000 1.232 34 Y HN 0.054 nan 8.280 nan 0.000 0.501 35 P HA -0.017 nan 4.420 nan 0.000 0.267 35 P C 0.436 177.803 177.300 0.111 0.000 1.200 35 P CA 0.023 63.188 63.100 0.108 0.000 0.772 35 P CB 0.818 32.579 31.700 0.102 0.000 0.855 36 E N 1.878 122.132 120.200 0.091 0.000 2.171 36 E HA -0.258 4.274 4.350 0.303 0.000 0.197 36 E C 1.316 178.014 176.600 0.163 0.000 0.997 36 E CA 1.743 58.218 56.400 0.125 0.000 0.810 36 E CB -0.310 29.468 29.700 0.129 0.000 0.738 36 E HN 0.546 nan 8.360 nan 0.000 0.467 37 E N -0.519 119.752 120.200 0.118 0.000 2.171 37 E HA -0.195 4.337 4.350 0.303 0.000 0.197 37 E C 2.095 178.744 176.600 0.081 0.000 0.997 37 E CA 1.429 57.887 56.400 0.097 0.000 0.810 37 E CB -0.201 29.544 29.700 0.076 0.000 0.738 37 E HN 0.164 nan 8.360 nan 0.000 0.467 38 V N 0.934 120.890 119.914 0.070 0.000 2.358 38 V HA -0.272 4.030 4.120 0.303 0.000 0.246 38 V C 2.155 178.258 176.094 0.016 0.000 1.047 38 V CA 1.894 64.191 62.300 -0.005 0.000 1.035 38 V CB -0.688 31.052 31.823 -0.139 0.000 0.658 38 V HN 0.311 nan 8.190 nan 0.000 0.452 39 Y N 1.392 121.681 120.300 -0.017 0.000 2.097 39 Y HA -0.243 4.269 4.550 -0.064 0.000 0.282 39 Y C 2.665 178.592 175.900 0.045 0.000 1.152 39 Y CA 2.052 60.168 58.100 0.027 0.000 1.136 39 Y CB -0.133 38.387 38.460 0.100 0.000 0.975 39 Y HN 0.201 nan 8.280 nan 0.000 0.498 40 E N 0.384 120.584 120.200 -0.000 0.000 2.097 40 E HA -0.250 4.281 4.350 0.303 0.000 0.196 40 E C 2.137 178.645 176.600 -0.153 0.000 1.000 40 E CA 1.543 57.884 56.400 -0.098 0.000 0.804 40 E CB -0.700 29.033 29.700 0.054 0.000 0.740 40 E HN 0.538 nan 8.360 nan 0.000 0.454 41 L N 0.276 121.450 121.223 -0.081 0.000 2.072 41 L HA -0.054 4.468 4.340 0.303 0.000 0.205 41 L C 2.170 178.990 176.870 -0.083 0.000 1.079 41 L CA 1.298 56.110 54.840 -0.047 0.000 0.752 41 L CB -0.212 41.866 42.059 0.031 0.000 0.906 41 L HN 0.041 nan 8.230 nan 0.000 0.436 42 L N -0.250 120.896 121.223 -0.129 0.000 2.341 42 L HA -0.060 4.462 4.340 0.303 0.000 0.214 42 L C 2.351 179.102 176.870 -0.197 0.000 1.115 42 L CA 0.785 55.552 54.840 -0.122 0.000 0.820 42 L CB -0.639 41.366 42.059 -0.091 0.000 0.944 42 L HN 0.369 nan 8.230 nan 0.000 0.452 43 K N 1.326 121.497 120.400 -0.382 0.000 2.442 43 K HA -0.134 4.368 4.320 0.303 0.000 0.199 43 K C 0.549 177.003 176.600 -0.242 0.000 1.044 43 K CA 1.017 57.033 56.287 -0.452 0.000 0.941 43 K CB 0.142 32.111 32.500 -0.885 0.000 0.759 43 K HN 0.313 nan 8.250 nan 0.000 0.472 44 E N 0.505 120.594 120.200 -0.185 0.000 2.375 44 E HA 0.280 4.812 4.350 0.303 0.000 0.280 44 E C -2.866 173.675 176.600 -0.098 0.000 0.972 44 E CA -2.520 53.799 56.400 -0.135 0.000 0.782 44 E CB 1.909 31.536 29.700 -0.121 0.000 1.229 44 E HN -0.134 nan 8.360 nan 0.000 0.439 45 P HA 0.012 nan 4.420 nan 0.000 0.268 45 P C 0.326 177.602 177.300 -0.041 0.000 1.204 45 P CA 0.205 63.277 63.100 -0.047 0.000 0.768 45 P CB 0.615 32.287 31.700 -0.045 0.000 0.842 46 M N 1.429 121.018 119.600 -0.019 0.000 2.394 46 M HA -0.043 4.619 4.480 0.303 0.000 0.264 46 M C 1.205 177.482 176.300 -0.040 0.000 1.073 46 M CA 1.491 56.765 55.300 -0.044 0.000 1.111 46 M CB -0.082 32.478 32.600 -0.066 0.000 1.401 46 M HN 0.311 nan 8.290 nan 0.000 0.448 47 R N 0.849 121.339 120.500 -0.016 0.000 2.510 47 R HA 0.500 5.021 4.340 0.303 0.000 0.294 47 R C -2.029 174.197 176.300 -0.123 0.000 1.056 47 R CA -0.383 55.688 56.100 -0.049 0.000 0.918 47 R CB 1.791 32.102 30.300 0.019 0.000 1.187 47 R HN 0.103 nan 8.270 nan 0.000 0.437 48 L N 5.199 126.364 121.223 -0.097 0.000 2.349 48 L HA 0.504 5.026 4.340 0.303 0.000 0.278 48 L C -1.605 175.230 176.870 -0.059 0.000 0.996 48 L CA -0.826 53.964 54.840 -0.085 0.000 0.825 48 L CB 1.497 43.533 42.059 -0.038 0.000 1.243 48 L HN 0.535 nan 8.230 nan 0.000 0.412 49 L N 5.041 126.220 121.223 -0.073 0.000 2.280 49 L HA 0.606 5.128 4.340 0.303 0.000 0.287 49 L C -0.189 176.697 176.870 0.026 0.000 1.023 49 L CA 0.266 55.080 54.840 -0.044 0.000 0.819 49 L CB 1.576 43.578 42.059 -0.095 0.000 1.212 49 L HN 0.713 nan 8.230 nan 0.000 0.420 50 T N 4.869 119.442 114.554 0.031 0.000 2.823 50 T HA 0.775 5.306 4.350 0.303 0.000 0.279 50 T C -0.726 173.925 174.700 -0.083 0.000 0.998 50 T CA -0.200 61.889 62.100 -0.018 0.000 0.994 50 T CB 1.133 70.045 68.868 0.073 0.000 0.960 50 T HN 0.751 nan 8.240 nan 0.000 0.448 51 V N 1.567 121.397 119.914 -0.141 0.000 2.925 51 V HA 0.785 5.087 4.120 0.303 0.000 0.311 51 V C -1.170 174.869 176.094 -0.092 0.000 1.104 51 V CA -1.226 61.019 62.300 -0.093 0.000 0.954 51 V CB 2.166 33.944 31.823 -0.075 0.000 1.022 51 V HN 0.800 nan 8.190 nan 0.000 0.427 52 K N 4.006 124.371 120.400 -0.057 0.000 2.235 52 K HA 0.666 5.168 4.320 0.303 0.000 0.266 52 K C -1.009 175.586 176.600 -0.007 0.000 0.980 52 K CA -0.310 55.954 56.287 -0.039 0.000 0.849 52 K CB 2.119 34.593 32.500 -0.044 0.000 1.098 52 K HN 0.815 nan 8.250 nan 0.000 0.445 53 I N 5.027 125.616 120.570 0.033 0.000 2.437 53 I HA 0.207 4.559 4.170 0.303 0.000 0.279 53 I C -2.353 173.819 176.117 0.092 0.000 1.028 53 I CA -2.355 58.987 61.300 0.070 0.000 1.142 53 I CB 1.845 39.913 38.000 0.114 0.000 1.266 53 I HN 0.137 nan 8.210 nan 0.000 0.461 54 P HA 0.162 nan 4.420 nan 0.000 0.276 54 P C -0.714 176.626 177.300 0.067 0.000 1.235 54 P CA -0.134 62.981 63.100 0.025 0.000 0.772 54 P CB 1.027 32.726 31.700 -0.001 0.000 0.871 55 V N 5.410 125.378 119.914 0.089 0.000 2.482 55 V HA 0.292 4.594 4.120 0.303 0.000 0.295 55 V C 0.466 176.604 176.094 0.073 0.000 1.026 55 V CA -0.772 61.606 62.300 0.130 0.000 0.856 55 V CB 1.531 33.556 31.823 0.336 0.000 1.001 55 V HN 0.432 nan 8.190 nan 0.000 0.424 56 R N 5.275 125.796 120.500 0.036 0.000 2.446 56 R HA 0.277 4.799 4.340 0.303 0.000 0.325 56 R C -0.169 176.150 176.300 0.032 0.000 0.997 56 R CA -0.039 56.072 56.100 0.019 0.000 1.010 56 R CB 0.217 30.518 30.300 0.002 0.000 0.946 56 R HN 0.502 nan 8.270 nan 0.000 0.422 57 M N 1.956 121.576 119.600 0.033 0.000 2.288 57 M HA 0.069 4.731 4.480 0.303 0.000 0.334 57 M C 0.972 177.289 176.300 0.027 0.000 1.150 57 M CA -0.331 54.996 55.300 0.044 0.000 1.118 57 M CB 1.010 33.636 32.600 0.043 0.000 1.501 57 M HN 0.450 nan 8.290 nan 0.000 0.462 58 D N 1.395 121.814 120.400 0.032 0.000 2.182 58 D HA -0.173 4.649 4.640 0.303 0.000 0.201 58 D C 0.916 177.228 176.300 0.020 0.000 0.986 58 D CA 1.435 55.451 54.000 0.026 0.000 0.847 58 D CB -0.180 40.641 40.800 0.034 0.000 0.942 58 D HN 0.631 nan 8.370 nan 0.000 0.467 59 D N -0.715 119.697 120.400 0.019 0.000 2.338 59 D HA 0.086 4.908 4.640 0.303 0.000 0.239 59 D C 1.493 177.797 176.300 0.006 0.000 1.095 59 D CA 0.715 54.723 54.000 0.012 0.000 0.888 59 D CB -0.414 40.392 40.800 0.011 0.000 0.899 59 D HN 0.211 nan 8.370 nan 0.000 0.525 60 G N -0.151 108.652 108.800 0.006 0.000 2.184 60 G HA2 -0.318 3.824 3.960 0.303 0.000 0.264 60 G HA3 -0.318 3.824 3.960 0.303 0.000 0.264 60 G C 0.481 175.378 174.900 -0.004 0.000 0.975 60 G CA 0.705 45.806 45.100 0.001 0.000 0.642 60 G HN 0.879 nan 8.290 nan 0.000 0.536 61 S N -1.260 114.437 115.700 -0.005 0.000 2.686 61 S HA 0.784 5.436 4.470 0.303 0.000 0.270 61 S C -0.095 174.494 174.600 -0.018 0.000 1.194 61 S CA -0.028 58.163 58.200 -0.016 0.000 0.990 61 S CB 2.477 65.664 63.200 -0.021 0.000 1.029 61 S HN 1.126 nan 8.310 nan 0.000 0.560 62 V N 1.185 121.078 119.914 -0.035 0.000 2.525 62 V HA 0.561 4.862 4.120 0.303 0.000 0.299 62 V C -0.357 175.682 176.094 -0.092 0.000 1.034 62 V CA -0.722 61.552 62.300 -0.043 0.000 0.863 62 V CB 1.415 33.217 31.823 -0.035 0.000 0.999 62 V HN 0.987 nan 8.190 nan 0.000 0.423 63 K N 4.434 124.751 120.400 -0.138 0.000 2.259 63 K HA 0.647 5.149 4.320 0.303 0.000 0.252 63 K C -1.093 175.277 176.600 -0.384 0.000 0.936 63 K CA -0.799 55.298 56.287 -0.317 0.000 0.810 63 K CB 1.509 33.702 32.500 -0.512 0.000 1.143 63 K HN 0.514 nan 8.250 nan 0.000 0.427 64 I N 5.140 125.489 120.570 -0.369 0.000 2.297 64 I HA 0.214 4.566 4.170 0.303 0.000 0.291 64 I C -0.490 175.417 176.117 -0.350 0.000 1.033 64 I CA -0.314 60.831 61.300 -0.258 0.000 1.253 64 I CB -0.367 37.545 38.000 -0.147 0.000 1.396 64 I HN 0.471 nan 8.210 nan 0.000 0.476 65 F N 3.822 123.729 119.950 -0.071 0.000 2.394 65 F HA 0.333 5.041 4.527 0.302 0.000 0.340 65 F C 1.115 176.849 175.800 -0.109 0.000 1.105 65 F CA -0.329 57.615 58.000 -0.093 0.000 1.124 65 F CB 1.227 40.155 39.000 -0.121 0.000 1.145 65 F HN 0.288 nan 8.300 nan 0.000 0.505 66 T N 2.486 117.069 114.554 0.048 0.000 2.771 66 T HA 0.576 5.108 4.350 0.303 0.000 0.291 66 T C 0.335 174.901 174.700 -0.223 0.000 0.954 66 T CA -0.607 61.419 62.100 -0.123 0.000 1.045 66 T CB 0.941 69.714 68.868 -0.158 0.000 0.917 66 T HN 0.815 nan 8.240 nan 0.000 0.484 67 G N 1.814 110.444 108.800 -0.283 0.000 2.473 67 G HA2 0.688 4.830 3.960 0.303 0.000 0.321 67 G HA3 0.688 4.830 3.960 0.303 0.000 0.321 67 G C -1.869 172.792 174.900 -0.398 0.000 1.200 67 G CA -0.650 44.357 45.100 -0.155 0.000 0.963 67 G HN 0.603 nan 8.290 nan 0.000 0.483 68 Y N -0.512 119.930 120.300 0.235 0.000 2.492 68 Y HA 0.729 5.463 4.550 0.308 0.000 0.346 68 Y C 0.111 176.129 175.900 0.197 0.000 0.997 68 Y CA -1.077 57.111 58.100 0.147 0.000 1.025 68 Y CB 2.839 41.350 38.460 0.085 0.000 1.263 68 Y HN 0.572 nan 8.280 nan 0.000 0.454 69 R N 1.772 122.405 120.500 0.222 0.000 2.532 69 R HA 0.880 5.402 4.340 0.303 0.000 0.297 69 R C -1.776 174.509 176.300 -0.026 0.000 0.984 69 R CA -0.686 55.489 56.100 0.125 0.000 0.884 69 R CB 1.363 31.686 30.300 0.039 0.000 1.182 69 R HN 0.801 nan 8.270 nan 0.000 0.442 70 A N 4.092 126.909 122.820 -0.004 0.000 2.331 70 A HA 0.481 4.983 4.320 0.303 0.000 0.320 70 A C -1.198 176.398 177.584 0.019 0.000 1.138 70 A CA -0.662 51.341 52.037 -0.057 0.000 0.790 70 A CB 0.526 19.512 19.000 -0.023 0.000 1.206 70 A HN 0.933 nan 8.150 nan 0.000 0.470 71 H N 2.577 121.646 119.070 -0.001 0.000 2.661 71 H HA 0.136 4.873 4.556 0.302 0.000 0.290 71 H C 0.924 176.242 175.328 -0.018 0.000 1.082 71 H CA -0.585 55.458 56.048 -0.009 0.000 1.234 71 H CB 1.194 30.955 29.762 -0.001 0.000 1.387 71 H HN 0.871 nan 8.280 nan 0.000 0.476 72 N N 2.126 120.879 118.700 0.089 0.000 2.058 72 N HA -0.155 4.767 4.740 0.303 0.000 0.191 72 N C -0.125 175.422 175.510 0.061 0.000 1.037 72 N CA 1.402 54.472 53.050 0.032 0.000 0.848 72 N CB 0.502 38.983 38.487 -0.010 0.000 1.021 72 N HN 0.638 nan 8.380 nan 0.000 0.422 73 D N -2.292 118.159 120.400 0.084 0.000 2.803 73 D HA 0.126 4.948 4.640 0.303 0.000 0.218 73 D C -1.050 175.342 176.300 0.154 0.000 1.245 73 D CA -0.238 53.849 54.000 0.145 0.000 0.821 73 D CB 1.565 42.441 40.800 0.125 0.000 1.626 73 D HN 0.040 nan 8.370 nan 0.000 0.487 74 S N 1.368 117.245 115.700 0.295 0.000 2.540 74 S HA 0.041 4.693 4.470 0.303 0.000 0.218 74 S C 1.203 175.927 174.600 0.207 0.000 0.977 74 S CA -0.001 58.345 58.200 0.245 0.000 0.918 74 S CB -0.009 63.369 63.200 0.296 0.000 0.806 74 S HN 0.451 nan 8.310 nan 0.000 0.496 75 V N 1.077 121.058 119.914 0.113 0.000 1.929 75 V HA 0.560 4.862 4.120 0.303 0.000 0.238 75 V C 0.443 176.530 176.094 -0.012 0.000 1.719 75 V CA 0.459 62.723 62.300 -0.060 0.000 1.654 75 V CB -1.849 29.851 31.823 -0.204 0.000 1.574 75 V HN 0.388 nan 8.190 nan 0.000 0.497 76 G N 3.269 112.088 108.800 0.032 0.000 2.627 76 G HA2 0.091 4.233 3.960 0.303 0.000 0.680 76 G HA3 0.091 4.233 3.960 0.303 0.000 0.680 76 G C -3.137 171.786 174.900 0.039 0.000 1.341 76 G CA -0.512 44.612 45.100 0.040 0.000 0.835 76 G HN 0.506 nan 8.290 nan 0.000 0.643 77 P HA 0.283 nan 4.420 nan 0.000 0.266 77 P C 0.907 178.123 177.300 -0.141 0.000 1.195 77 P CA 0.356 63.428 63.100 -0.048 0.000 0.768 77 P CB 0.442 32.114 31.700 -0.046 0.000 0.838 78 T N -0.168 114.259 114.554 -0.211 0.000 2.899 78 T HA 0.489 5.020 4.350 0.303 0.000 0.295 78 T C -0.143 174.343 174.700 -0.357 0.000 1.033 78 T CA -0.417 61.552 62.100 -0.219 0.000 1.084 78 T CB 0.846 69.618 68.868 -0.159 0.000 0.979 78 T HN 0.319 nan 8.240 nan 0.000 0.532 79 K N 0.122 120.306 120.400 -0.361 0.000 2.498 79 K HA 0.704 5.205 4.320 0.303 0.000 0.254 79 K C -0.602 175.850 176.600 -0.247 0.000 0.933 79 K CA -0.056 55.931 56.287 -0.500 0.000 0.806 79 K CB 1.840 33.732 32.500 -1.013 0.000 1.301 79 K HN 1.291 nan 8.250 nan 0.000 0.432 80 G N 0.758 109.438 108.800 -0.201 0.000 2.368 80 G HA2 0.401 4.543 3.960 0.303 0.000 0.303 80 G HA3 0.401 4.543 3.960 0.303 0.000 0.303 80 G C -0.644 174.212 174.900 -0.073 0.000 1.590 80 G CA -0.405 44.637 45.100 -0.096 0.000 0.938 80 G HN 0.762 nan 8.290 nan 0.000 0.675 81 G N -1.124 107.646 108.800 -0.050 0.000 2.621 81 G HA2 0.606 4.748 3.960 0.303 0.000 0.271 81 G HA3 0.606 4.748 3.960 0.303 0.000 0.271 81 G C -0.221 174.671 174.900 -0.013 0.000 1.236 81 G CA -0.665 44.403 45.100 -0.052 0.000 0.958 81 G HN 0.801 nan 8.290 nan 0.000 0.512 82 I N 0.090 120.637 120.570 -0.040 0.000 2.436 82 I HA 0.374 4.726 4.170 0.303 0.000 0.289 82 I C 0.231 176.316 176.117 -0.054 0.000 1.010 82 I CA -0.730 60.559 61.300 -0.018 0.000 1.098 82 I CB 2.000 39.965 38.000 -0.059 0.000 1.266 82 I HN 0.582 nan 8.210 nan 0.000 0.434 83 R N 4.780 125.316 120.500 0.060 0.000 2.604 83 R HA 0.646 5.168 4.340 0.303 0.000 0.287 83 R C -1.610 174.941 176.300 0.418 0.000 0.970 83 R CA -0.599 55.565 56.100 0.107 0.000 0.946 83 R CB 1.403 31.743 30.300 0.067 0.000 1.127 83 R HN 0.216 nan 8.270 nan 0.000 0.473 84 F N 2.031 122.032 119.950 0.084 0.000 2.359 84 F HA 0.380 5.088 4.527 0.302 0.000 0.369 84 F C -0.459 175.477 175.800 0.228 0.000 1.084 84 F CA -1.001 57.066 58.000 0.111 0.000 1.096 84 F CB 0.460 39.524 39.000 0.106 0.000 1.335 84 F HN 0.708 nan 8.300 nan 0.000 0.457 85 H N 3.165 122.368 119.070 0.222 0.000 2.930 85 H HA 0.423 5.161 4.556 0.304 0.000 0.371 85 H C -2.242 173.157 175.328 0.118 0.000 1.169 85 H CA -1.751 54.383 56.048 0.143 0.000 1.157 85 H CB 2.981 32.736 29.762 -0.012 0.000 1.789 85 H HN 0.058 nan 8.280 nan 0.000 0.547 86 P HA -0.035 nan 4.420 nan 0.000 0.220 86 P C -0.083 177.306 177.300 0.147 0.000 1.148 86 P CA 1.277 64.385 63.100 0.013 0.000 0.803 86 P CB 0.250 31.900 31.700 -0.083 0.000 0.782 87 N N -1.263 117.653 118.700 0.359 0.000 2.314 87 N HA 0.084 5.006 4.740 0.303 0.000 0.200 87 N C -0.069 175.545 175.510 0.174 0.000 1.135 87 N CA -0.312 52.901 53.050 0.272 0.000 0.835 87 N CB 0.268 38.922 38.487 0.279 0.000 0.989 87 N HN -0.034 nan 8.380 nan 0.000 0.478 88 V N 1.457 121.488 119.914 0.196 0.000 2.715 88 V HA 0.197 4.498 4.120 0.303 0.000 0.299 88 V C 0.337 176.490 176.094 0.098 0.000 1.054 88 V CA 0.389 62.767 62.300 0.130 0.000 1.077 88 V CB 1.118 33.051 31.823 0.183 0.000 0.972 88 V HN 0.323 nan 8.190 nan 0.000 0.484 89 T N 1.097 115.633 114.554 -0.030 0.000 2.883 89 T HA 0.369 4.901 4.350 0.303 0.000 0.301 89 T C 0.642 175.058 174.700 -0.473 0.000 1.158 89 T CA -0.040 61.970 62.100 -0.150 0.000 1.007 89 T CB 1.569 70.388 68.868 -0.081 0.000 1.186 89 T HN 0.692 nan 8.240 nan 0.000 0.499 90 E N 0.921 120.679 120.200 -0.736 0.000 2.097 90 E HA -0.242 4.290 4.350 0.303 0.000 0.196 90 E C 1.865 178.237 176.600 -0.380 0.000 1.000 90 E CA 1.576 57.486 56.400 -0.817 0.000 0.804 90 E CB -0.049 29.354 29.700 -0.495 0.000 0.740 90 E HN 0.696 nan 8.360 nan 0.000 0.454 91 K N 0.595 120.849 120.400 -0.242 0.000 2.032 91 K HA -0.239 4.263 4.320 0.303 0.000 0.209 91 K C 2.218 178.724 176.600 -0.157 0.000 1.048 91 K CA 1.820 58.010 56.287 -0.161 0.000 0.927 91 K CB -0.112 32.324 32.500 -0.106 0.000 0.712 91 K HN 0.140 nan 8.250 nan 0.000 0.441 92 E N -0.073 120.044 120.200 -0.138 0.000 2.085 92 E HA -0.180 4.352 4.350 0.303 0.000 0.194 92 E C 1.826 178.360 176.600 -0.111 0.000 0.994 92 E CA 1.347 57.692 56.400 -0.093 0.000 0.801 92 E CB 0.131 29.800 29.700 -0.051 0.000 0.743 92 E HN 0.148 nan 8.360 nan 0.000 0.453 93 V N 1.430 121.253 119.914 -0.152 0.000 2.407 93 V HA -0.261 4.041 4.120 0.303 0.000 0.248 93 V C 2.226 178.247 176.094 -0.122 0.000 1.055 93 V CA 1.886 64.119 62.300 -0.113 0.000 1.049 93 V CB -0.386 31.357 31.823 -0.134 0.000 0.662 93 V HN 0.246 nan 8.190 nan 0.000 0.455 94 K N 0.417 120.719 120.400 -0.164 0.000 2.002 94 K HA -0.128 4.374 4.320 0.303 0.000 0.209 94 K C 2.376 178.827 176.600 -0.247 0.000 1.048 94 K CA 1.525 57.711 56.287 -0.168 0.000 0.930 94 K CB -0.526 31.878 32.500 -0.161 0.000 0.714 94 K HN 0.444 nan 8.250 nan 0.000 0.438 95 A N 1.780 124.410 122.820 -0.317 0.000 1.917 95 A HA -0.171 4.331 4.320 0.303 0.000 0.219 95 A C 2.207 179.278 177.584 -0.855 0.000 1.182 95 A CA 1.443 53.121 52.037 -0.598 0.000 0.633 95 A CB -0.776 17.925 19.000 -0.498 0.000 0.819 95 A HN 0.182 nan 8.150 nan 0.000 0.448 96 L N 0.260 121.253 121.223 -0.383 0.000 2.083 96 L HA -0.188 4.334 4.340 0.303 0.000 0.209 96 L C 3.064 179.906 176.870 -0.047 0.000 1.083 96 L CA 1.559 56.363 54.840 -0.059 0.000 0.752 96 L CB -0.419 41.695 42.059 0.093 0.000 0.899 96 L HN 0.652 nan 8.230 nan 0.000 0.433 97 S N 0.099 115.734 115.700 -0.108 0.000 2.368 97 S HA -0.151 4.500 4.470 0.303 0.000 0.224 97 S C 1.922 176.473 174.600 -0.080 0.000 1.029 97 S CA 0.959 59.124 58.200 -0.058 0.000 0.988 97 S CB -0.589 62.581 63.200 -0.050 0.000 0.838 97 S HN 0.377 nan 8.310 nan 0.000 0.462 98 I N -0.019 120.436 120.570 -0.192 0.000 2.252 98 I HA -0.124 4.228 4.170 0.303 0.000 0.245 98 I C 2.496 178.563 176.117 -0.084 0.000 1.102 98 I CA 1.325 62.514 61.300 -0.186 0.000 1.385 98 I CB -0.587 37.237 38.000 -0.294 0.000 1.064 98 I HN 0.356 nan 8.210 nan 0.000 0.414 99 W N 0.455 121.718 121.300 -0.062 0.000 2.302 99 W HA -0.298 4.551 4.660 0.316 0.000 0.320 99 W C 2.744 179.203 176.519 -0.100 0.000 1.241 99 W CA 0.283 57.575 57.345 -0.089 0.000 1.264 99 W CB -0.488 28.942 29.460 -0.049 0.000 1.154 99 W HN 0.067 nan 8.180 nan 0.000 0.483 100 M N 0.154 119.857 119.600 0.172 0.000 2.108 100 M HA -0.197 4.465 4.480 0.303 0.000 0.261 100 M C 2.019 178.331 176.300 0.020 0.000 1.066 100 M CA 1.650 56.992 55.300 0.070 0.000 1.107 100 M CB -1.844 30.776 32.600 0.034 0.000 1.356 100 M HN -0.087 nan 8.290 nan 0.000 0.406 101 S N 1.066 116.767 115.700 0.002 0.000 2.365 101 S HA -0.116 4.535 4.470 0.303 0.000 0.225 101 S C 2.064 176.643 174.600 -0.034 0.000 1.039 101 S CA 1.191 59.380 58.200 -0.018 0.000 1.033 101 S CB -0.454 62.729 63.200 -0.028 0.000 0.887 101 S HN 0.429 nan 8.310 nan 0.000 0.447 102 L N 1.025 122.215 121.223 -0.054 0.000 2.046 102 L HA -0.165 4.357 4.340 0.303 0.000 0.208 102 L C 2.463 179.293 176.870 -0.066 0.000 1.077 102 L CA 1.341 56.118 54.840 -0.105 0.000 0.747 102 L CB -0.520 41.400 42.059 -0.232 0.000 0.896 102 L HN 0.271 nan 8.230 nan 0.000 0.432 103 K N -0.623 119.760 120.400 -0.029 0.000 2.057 103 K HA -0.169 4.333 4.320 0.303 0.000 0.207 103 K C 2.164 178.748 176.600 -0.027 0.000 1.049 103 K CA 1.686 57.959 56.287 -0.023 0.000 0.931 103 K CB -0.388 32.109 32.500 -0.006 0.000 0.714 103 K HN 0.358 nan 8.250 nan 0.000 0.440 104 C N 0.213 119.501 119.300 -0.020 0.000 2.435 104 C HA -0.020 4.622 4.460 0.303 0.000 0.279 104 C C 2.725 177.680 174.990 -0.060 0.000 1.321 104 C CA 0.773 59.771 59.018 -0.034 0.000 1.752 104 C CB -1.204 26.544 27.740 0.014 0.000 1.959 104 C HN 0.689 nan 8.230 nan 0.000 0.500 105 G N 0.539 109.311 108.800 -0.046 0.000 2.394 105 G HA2 -0.110 4.032 3.960 0.303 0.000 0.215 105 G HA3 -0.110 4.032 3.960 0.303 0.000 0.215 105 G C 1.482 176.362 174.900 -0.034 0.000 1.165 105 G CA 0.566 45.640 45.100 -0.043 0.000 0.784 105 G HN 0.504 nan 8.290 nan 0.000 0.535 106 I N 0.875 121.425 120.570 -0.032 0.000 2.179 106 I HA -0.134 4.218 4.170 0.303 0.000 0.242 106 I C 2.411 178.522 176.117 -0.009 0.000 1.088 106 I CA 0.767 62.057 61.300 -0.016 0.000 1.357 106 I CB -0.078 37.911 38.000 -0.017 0.000 1.051 106 I HN 0.078 nan 8.210 nan 0.000 0.409 107 I N -0.160 120.396 120.570 -0.023 0.000 2.761 107 I HA -0.132 4.220 4.170 0.303 0.000 0.261 107 I C 0.445 176.537 176.117 -0.042 0.000 1.198 107 I CA 0.899 62.187 61.300 -0.020 0.000 1.482 107 I CB -1.094 36.884 38.000 -0.037 0.000 1.100 107 I HN 0.359 nan 8.210 nan 0.000 0.445 108 D N 1.434 121.790 120.400 -0.073 0.000 2.922 108 D HA -0.152 4.670 4.640 0.303 0.000 0.252 108 D C -0.554 175.627 176.300 -0.198 0.000 1.070 108 D CA 0.309 54.252 54.000 -0.095 0.000 0.813 108 D CB -1.217 39.556 40.800 -0.045 0.000 1.046 108 D HN 0.187 nan 8.370 nan 0.000 0.429 109 L N 0.045 121.084 121.223 -0.307 0.000 2.334 109 L HA 0.682 5.204 4.340 0.303 0.000 0.270 109 L C -1.607 174.970 176.870 -0.488 0.000 1.018 109 L CA -2.221 52.238 54.840 -0.636 0.000 0.811 109 L CB 1.220 42.748 42.059 -0.885 0.000 1.271 109 L HN -0.116 nan 8.230 nan 0.000 0.443 110 P HA 0.186 nan 4.420 nan 0.000 0.220 110 P C -1.344 175.813 177.300 -0.239 0.000 1.778 110 P CA 0.160 63.088 63.100 -0.287 0.000 0.912 110 P CB -0.317 31.305 31.700 -0.130 0.000 1.861 111 Y N -0.072 120.099 120.300 -0.214 0.000 2.562 111 Y HA 0.691 5.423 4.550 0.302 0.000 0.343 111 Y C 1.117 176.931 175.900 -0.143 0.000 1.025 111 Y CA -1.688 56.281 58.100 -0.218 0.000 1.082 111 Y CB 1.491 39.799 38.460 -0.254 0.000 1.264 111 Y HN 0.000 nan 8.280 nan 0.000 0.478 112 G N -0.438 108.391 108.800 0.048 0.000 2.509 112 G HA2 0.520 4.662 3.960 0.303 0.000 0.328 112 G HA3 0.520 4.662 3.960 0.303 0.000 0.328 112 G C -0.402 174.480 174.900 -0.030 0.000 1.194 112 G CA -0.758 44.345 45.100 0.005 0.000 0.967 112 G HN 0.815 nan 8.290 nan 0.000 0.488 113 G N -1.309 107.482 108.800 -0.015 0.000 2.390 113 G HA2 0.604 4.746 3.960 0.303 0.000 0.270 113 G HA3 0.604 4.746 3.960 0.303 0.000 0.270 113 G C 0.050 174.945 174.900 -0.007 0.000 1.211 113 G CA 0.326 45.414 45.100 -0.020 0.000 0.842 113 G HN 0.975 nan 8.290 nan 0.000 0.519 114 G N 0.149 108.939 108.800 -0.015 0.000 2.690 114 G HA2 0.654 4.796 3.960 0.303 0.000 0.291 114 G HA3 0.654 4.796 3.960 0.303 0.000 0.291 114 G C -1.512 173.405 174.900 0.029 0.000 1.403 114 G CA -0.721 44.402 45.100 0.038 0.000 0.864 114 G HN 0.707 nan 8.290 nan 0.000 0.480 115 K N -1.323 119.115 120.400 0.063 0.000 2.597 115 K HA 0.688 5.189 4.320 0.303 0.000 0.282 115 K C -0.452 176.222 176.600 0.125 0.000 0.975 115 K CA -0.171 56.157 56.287 0.068 0.000 0.867 115 K CB 2.175 34.706 32.500 0.050 0.000 1.465 115 K HN 1.070 nan 8.250 nan 0.000 0.417 116 G N -0.379 108.510 108.800 0.148 0.000 2.563 116 G HA2 0.720 4.862 3.960 0.303 0.000 0.302 116 G HA3 0.720 4.862 3.960 0.303 0.000 0.302 116 G C -1.134 173.881 174.900 0.191 0.000 1.301 116 G CA -0.705 44.545 45.100 0.249 0.000 0.965 116 G HN 0.658 nan 8.290 nan 0.000 0.480 117 G N -0.310 108.642 108.800 0.253 0.000 2.753 117 G HA2 0.541 4.683 3.960 0.303 0.000 0.295 117 G HA3 0.541 4.683 3.960 0.303 0.000 0.295 117 G C -1.316 173.712 174.900 0.213 0.000 1.437 117 G CA -0.517 44.729 45.100 0.243 0.000 1.094 117 G HN 0.639 nan 8.290 nan 0.000 0.540 118 I N 2.105 122.718 120.570 0.072 0.000 2.418 118 I HA 0.213 4.565 4.170 0.303 0.000 0.287 118 I C 0.057 176.159 176.117 -0.024 0.000 1.008 118 I CA -1.061 60.173 61.300 -0.110 0.000 1.104 118 I CB 2.336 39.991 38.000 -0.576 0.000 1.264 118 I HN 0.144 nan 8.210 nan 0.000 0.438 119 V N 6.604 126.563 119.914 0.075 0.000 2.400 119 V HA 0.074 4.376 4.120 0.303 0.000 0.263 119 V C 0.245 176.420 176.094 0.135 0.000 1.026 119 V CA 0.066 62.446 62.300 0.133 0.000 1.077 119 V CB -0.761 31.159 31.823 0.162 0.000 1.054 119 V HN 0.955 nan 8.190 nan 0.000 0.477 120 C N 2.114 121.460 119.300 0.077 0.000 3.259 120 C HA 0.625 5.267 4.460 0.303 0.000 0.344 120 C C -1.316 173.703 174.990 0.049 0.000 1.401 120 C CA -0.959 58.103 59.018 0.074 0.000 1.219 120 C CB 1.971 29.572 27.740 -0.231 0.000 1.521 120 C HN 0.607 nan 8.230 nan 0.000 0.455 121 D N 1.133 121.561 120.400 0.047 0.000 2.440 121 D HA 0.455 5.277 4.640 0.303 0.000 0.252 121 D C -1.955 174.345 176.300 -0.000 0.000 1.180 121 D CA -1.399 52.609 54.000 0.014 0.000 0.894 121 D CB 1.995 42.771 40.800 -0.039 0.000 1.111 121 D HN 0.337 nan 8.370 nan 0.000 0.544 122 P HA -0.037 nan 4.420 nan 0.000 0.223 122 P C 1.161 178.466 177.300 0.008 0.000 1.144 122 P CA 0.728 63.888 63.100 0.101 0.000 0.783 122 P CB 0.347 32.207 31.700 0.267 0.000 0.771 123 R N -0.652 119.640 120.500 -0.347 0.000 2.148 123 R HA -0.055 4.467 4.340 0.303 0.000 0.227 123 R C 0.676 176.910 176.300 -0.109 0.000 1.103 123 R CA 1.035 56.851 56.100 -0.474 0.000 0.983 123 R CB -0.324 29.493 30.300 -0.804 0.000 0.874 123 R HN 0.194 nan 8.270 nan 0.000 0.451 124 D N -0.580 119.786 120.400 -0.055 0.000 2.402 124 D HA 0.156 4.978 4.640 0.303 0.000 0.216 124 D C 0.095 176.426 176.300 0.052 0.000 1.128 124 D CA 0.429 54.434 54.000 0.007 0.000 0.833 124 D CB 0.493 41.298 40.800 0.007 0.000 0.971 124 D HN 0.119 nan 8.370 nan 0.000 0.503 125 M N -0.385 119.258 119.600 0.071 0.000 2.690 125 M HA 0.316 4.978 4.480 0.303 0.000 0.302 125 M C 0.255 176.626 176.300 0.118 0.000 1.234 125 M CA -0.913 54.439 55.300 0.088 0.000 0.853 125 M CB 2.384 35.022 32.600 0.062 0.000 1.748 125 M HN -0.233 nan 8.290 nan 0.000 0.469 126 S N -0.130 115.637 115.700 0.113 0.000 2.687 126 S HA 0.411 5.063 4.470 0.303 0.000 0.283 126 S C 0.610 175.326 174.600 0.195 0.000 1.170 126 S CA -0.647 57.645 58.200 0.154 0.000 1.008 126 S CB 0.884 64.158 63.200 0.124 0.000 1.026 126 S HN 0.727 nan 8.310 nan 0.000 0.541 127 F N 1.693 121.707 119.950 0.105 0.000 2.087 127 F HA -0.144 4.565 4.527 0.304 0.000 0.299 127 F C 2.708 178.534 175.800 0.043 0.000 1.100 127 F CA 1.798 59.901 58.000 0.171 0.000 1.226 127 F CB -0.013 39.096 39.000 0.182 0.000 0.983 127 F HN 0.580 nan 8.300 nan 0.000 0.479 128 R N 0.307 120.877 120.500 0.117 0.000 2.075 128 R HA -0.131 4.391 4.340 0.303 0.000 0.232 128 R C 2.068 178.259 176.300 -0.181 0.000 1.126 128 R CA 1.710 57.758 56.100 -0.087 0.000 0.963 128 R CB -0.686 29.620 30.300 0.010 0.000 0.858 128 R HN 0.471 nan 8.270 nan 0.000 0.435 129 E N 0.600 120.758 120.200 -0.071 0.000 2.051 129 E HA -0.187 4.345 4.350 0.303 0.000 0.192 129 E C 1.980 178.497 176.600 -0.137 0.000 0.991 129 E CA 0.854 57.215 56.400 -0.065 0.000 0.799 129 E CB -0.138 29.570 29.700 0.013 0.000 0.748 129 E HN 0.022 nan 8.360 nan 0.000 0.449 130 L N 1.553 122.710 121.223 -0.111 0.000 2.079 130 L HA -0.225 4.297 4.340 0.303 0.000 0.210 130 L C 2.322 179.089 176.870 -0.170 0.000 1.081 130 L CA 1.767 56.575 54.840 -0.052 0.000 0.752 130 L CB -0.664 41.477 42.059 0.136 0.000 0.896 130 L HN 0.172 nan 8.230 nan 0.000 0.433 131 E N -0.762 119.048 120.200 -0.650 0.000 2.047 131 E HA -0.221 4.311 4.350 0.303 0.000 0.191 131 E C 2.334 178.655 176.600 -0.465 0.000 0.987 131 E CA 1.000 56.758 56.400 -1.069 0.000 0.799 131 E CB 0.001 28.544 29.700 -1.928 0.000 0.752 131 E HN 0.406 nan 8.360 nan 0.000 0.449 132 R N 0.093 120.390 120.500 -0.337 0.000 2.091 132 R HA -0.173 4.349 4.340 0.303 0.000 0.238 132 R C 2.590 178.830 176.300 -0.100 0.000 1.136 132 R CA 1.357 57.352 56.100 -0.175 0.000 0.959 132 R CB -0.514 29.717 30.300 -0.114 0.000 0.856 132 R HN 0.247 nan 8.270 nan 0.000 0.437 133 L N 0.865 122.012 121.223 -0.127 0.000 2.056 133 L HA -0.101 4.421 4.340 0.303 0.000 0.207 133 L C 1.998 178.853 176.870 -0.024 0.000 1.078 133 L CA 1.784 56.536 54.840 -0.147 0.000 0.749 133 L CB -0.506 41.297 42.059 -0.427 0.000 0.901 133 L HN -0.016 nan 8.230 nan 0.000 0.433 134 S N -0.088 115.652 115.700 0.066 0.000 2.353 134 S HA -0.199 4.453 4.470 0.303 0.000 0.222 134 S C 1.971 176.714 174.600 0.239 0.000 1.035 134 S CA 1.658 60.013 58.200 0.257 0.000 1.025 134 S CB -0.363 63.050 63.200 0.354 0.000 0.902 134 S HN 0.489 nan 8.310 nan 0.000 0.440 135 R N 0.520 121.088 120.500 0.113 0.000 2.120 135 R HA -0.035 4.487 4.340 0.303 0.000 0.234 135 R C 2.611 178.965 176.300 0.090 0.000 1.123 135 R CA 1.103 57.259 56.100 0.094 0.000 0.975 135 R CB -0.684 29.616 30.300 0.000 0.000 0.866 135 R HN 0.484 nan 8.270 nan 0.000 0.446 136 G N 0.127 108.973 108.800 0.076 0.000 2.408 136 G HA2 -0.307 3.835 3.960 0.303 0.000 0.217 136 G HA3 -0.307 3.835 3.960 0.303 0.000 0.217 136 G C 1.166 176.138 174.900 0.121 0.000 1.150 136 G CA 0.347 45.489 45.100 0.071 0.000 0.776 136 G HN 0.282 nan 8.290 nan 0.000 0.542 137 Y N 1.321 121.647 120.300 0.043 0.000 2.114 137 Y HA -0.127 4.604 4.550 0.302 0.000 0.284 137 Y C 2.878 178.845 175.900 0.111 0.000 1.143 137 Y CA 1.505 59.650 58.100 0.075 0.000 1.135 137 Y CB -0.454 38.084 38.460 0.129 0.000 0.980 137 Y HN 0.030 nan 8.280 nan 0.000 0.499 138 V N 0.670 120.696 119.914 0.186 0.000 2.392 138 V HA -0.319 3.983 4.120 0.303 0.000 0.249 138 V C 2.331 178.423 176.094 -0.004 0.000 1.059 138 V CA 2.316 64.687 62.300 0.118 0.000 1.051 138 V CB -0.584 31.369 31.823 0.217 0.000 0.658 138 V HN 0.344 nan 8.190 nan 0.000 0.455 139 R N -0.197 120.300 120.500 -0.005 0.000 2.153 139 R HA 0.039 4.561 4.340 0.303 0.000 0.218 139 R C 2.367 178.631 176.300 -0.060 0.000 1.072 139 R CA 1.149 57.224 56.100 -0.043 0.000 0.990 139 R CB -0.407 29.877 30.300 -0.027 0.000 0.889 139 R HN 0.530 nan 8.270 nan 0.000 0.452 140 A N 1.350 124.128 122.820 -0.070 0.000 1.929 140 A HA -0.067 4.435 4.320 0.303 0.000 0.216 140 A C 1.976 179.490 177.584 -0.116 0.000 1.176 140 A CA 1.161 53.145 52.037 -0.089 0.000 0.628 140 A CB -0.281 18.666 19.000 -0.089 0.000 0.816 140 A HN 0.459 nan 8.150 nan 0.000 0.444 141 I N -2.840 117.633 120.570 -0.161 0.000 4.154 141 I HA 0.123 4.475 4.170 0.303 0.000 0.334 141 I C 1.750 177.845 176.117 -0.037 0.000 1.371 141 I CA 0.977 62.197 61.300 -0.134 0.000 1.110 141 I CB 0.063 37.913 38.000 -0.251 0.000 1.085 141 I HN 0.189 nan 8.210 nan 0.000 0.398 142 S N 1.450 117.129 115.700 -0.035 0.000 2.392 142 S HA -0.315 4.336 4.470 0.303 0.000 0.232 142 S C 1.819 176.443 174.600 0.039 0.000 1.041 142 S CA 1.897 60.100 58.200 0.005 0.000 1.026 142 S CB -0.860 62.242 63.200 -0.164 0.000 0.845 142 S HN 0.713 nan 8.310 nan 0.000 0.465 143 Q N 1.011 120.809 119.800 -0.003 0.000 2.135 143 Q HA -0.013 4.509 4.340 0.303 0.000 0.204 143 Q C 1.970 178.009 176.000 0.066 0.000 0.981 143 Q CA 1.602 57.413 55.803 0.013 0.000 0.856 143 Q CB -0.515 28.219 28.738 -0.006 0.000 0.902 143 Q HN 0.986 nan 8.270 nan 0.000 0.425 144 I N -3.265 117.362 120.570 0.094 0.000 3.856 144 I HA 0.364 4.716 4.170 0.303 0.000 0.333 144 I C -0.291 175.958 176.117 0.220 0.000 1.525 144 I CA -0.424 60.974 61.300 0.163 0.000 1.173 144 I CB 0.730 38.843 38.000 0.189 0.000 1.175 144 I HN -0.205 nan 8.210 nan 0.000 0.424 145 V N 0.616 120.646 119.914 0.193 0.000 3.147 145 V HA 0.969 5.271 4.120 0.303 0.000 0.306 145 V C 0.052 176.253 176.094 0.179 0.000 1.209 145 V CA 0.211 62.639 62.300 0.212 0.000 1.023 145 V CB 2.066 34.052 31.823 0.271 0.000 1.059 145 V HN 0.633 nan 8.190 nan 0.000 0.435 146 G N 3.624 112.487 108.800 0.105 0.000 2.368 146 G HA2 0.208 4.350 3.960 0.303 0.000 0.302 146 G HA3 0.208 4.350 3.960 0.303 0.000 0.302 146 G C -2.953 172.028 174.900 0.135 0.000 1.329 146 G CA 0.030 45.089 45.100 -0.068 0.000 0.935 146 G HN 0.455 nan 8.290 nan 0.000 0.590 147 P HA -0.089 nan 4.420 nan 0.000 0.217 147 P C 1.761 179.320 177.300 0.432 0.000 1.148 147 P CA 2.959 66.262 63.100 0.338 0.000 0.834 147 P CB 0.085 31.968 31.700 0.306 0.000 0.783 148 T N -6.315 108.416 114.554 0.295 0.000 3.044 148 T HA 0.286 4.818 4.350 0.303 0.000 0.260 148 T C 1.280 176.080 174.700 0.167 0.000 1.019 148 T CA -0.081 62.188 62.100 0.281 0.000 0.921 148 T CB 0.047 69.055 68.868 0.233 0.000 1.053 148 T HN 0.064 nan 8.240 nan 0.000 0.533 149 K N 0.367 120.829 120.400 0.104 0.000 2.362 149 K HA 0.273 4.774 4.320 0.303 0.000 0.203 149 K C -0.556 175.978 176.600 -0.109 0.000 1.198 149 K CA 0.203 56.496 56.287 0.010 0.000 0.908 149 K CB 0.601 33.124 32.500 0.038 0.000 1.236 149 K HN 0.179 nan 8.250 nan 0.000 0.487 150 D N 0.457 120.812 120.400 -0.074 0.000 2.369 150 D HA 0.114 4.935 4.640 0.303 0.000 0.212 150 D C -1.802 174.437 176.300 -0.102 0.000 1.326 150 D CA -0.286 53.633 54.000 -0.134 0.000 0.933 150 D CB 1.577 42.328 40.800 -0.082 0.000 1.516 150 D HN -0.219 nan 8.370 nan 0.000 0.557 151 V N 5.464 125.217 119.914 -0.269 0.000 2.311 151 V HA 0.494 4.796 4.120 0.303 0.000 0.275 151 V C -1.910 173.985 176.094 -0.330 0.000 1.022 151 V CA -1.329 60.779 62.300 -0.319 0.000 0.830 151 V CB 1.096 32.680 31.823 -0.397 0.000 1.012 151 V HN 0.431 nan 8.190 nan 0.000 0.452 152 P HA 0.722 nan 4.420 nan 0.000 0.289 152 P C -0.419 176.736 177.300 -0.242 0.000 1.299 152 P CA -0.207 62.755 63.100 -0.230 0.000 0.766 152 P CB 0.949 32.540 31.700 -0.181 0.000 1.226 153 A N -1.801 120.917 122.820 -0.170 0.000 2.511 153 A HA 0.651 5.153 4.320 0.303 0.000 0.293 153 A C -3.010 174.494 177.584 -0.133 0.000 1.098 153 A CA -1.210 50.736 52.037 -0.152 0.000 0.643 153 A CB 0.143 19.065 19.000 -0.130 0.000 1.302 153 A HN 0.220 nan 8.150 nan 0.000 0.446 154 P HA 0.462 nan 4.420 nan 0.000 0.272 154 P C -0.764 176.477 177.300 -0.098 0.000 1.240 154 P CA 0.360 63.383 63.100 -0.129 0.000 0.791 154 P CB 0.706 32.340 31.700 -0.110 0.000 0.978 155 D N -0.685 119.657 120.400 -0.096 0.000 3.309 155 D HA 0.122 4.944 4.640 0.303 0.000 0.335 155 D C -0.912 175.363 176.300 -0.041 0.000 1.393 155 D CA -0.408 53.557 54.000 -0.059 0.000 0.963 155 D CB 0.685 41.459 40.800 -0.044 0.000 1.431 155 D HN -0.059 nan 8.370 nan 0.000 0.583 156 V N 2.572 122.458 119.914 -0.046 0.000 2.726 156 V HA -0.058 4.243 4.120 0.303 0.000 0.304 156 V C 0.650 176.801 176.094 0.094 0.000 1.115 156 V CA 0.644 62.900 62.300 -0.073 0.000 1.264 156 V CB -0.792 30.894 31.823 -0.229 0.000 0.867 156 V HN 0.579 nan 8.190 nan 0.000 0.498 157 F N 2.218 122.232 119.950 0.107 0.000 3.093 157 F HA -0.197 4.513 4.527 0.305 0.000 0.283 157 F C 0.896 176.679 175.800 -0.030 0.000 0.848 157 F CA 1.291 59.385 58.000 0.156 0.000 1.059 157 F CB -2.669 36.490 39.000 0.264 0.000 1.191 157 F HN 0.779 nan 8.300 nan 0.000 0.514 158 T N -1.559 112.995 114.554 -0.001 0.000 2.887 158 T HA 0.753 5.285 4.350 0.303 0.000 0.288 158 T C -0.093 174.527 174.700 -0.133 0.000 1.021 158 T CA -0.369 61.590 62.100 -0.236 0.000 1.000 158 T CB 3.346 71.899 68.868 -0.524 0.000 1.034 158 T HN 0.212 nan 8.240 nan 0.000 0.467 159 N N -0.483 118.120 118.700 -0.162 0.000 3.167 159 N HA 0.408 5.330 4.740 0.303 0.000 0.323 159 N C 1.214 176.623 175.510 -0.169 0.000 1.478 159 N CA -0.408 52.563 53.050 -0.132 0.000 0.753 159 N CB 0.520 38.940 38.487 -0.113 0.000 1.721 159 N HN 0.574 nan 8.380 nan 0.000 0.618 160 S N -1.567 114.041 115.700 -0.153 0.000 2.419 160 S HA -0.245 4.407 4.470 0.303 0.000 0.233 160 S C 1.622 176.079 174.600 -0.240 0.000 1.016 160 S CA 1.423 59.525 58.200 -0.164 0.000 0.974 160 S CB -0.487 62.635 63.200 -0.130 0.000 0.786 160 S HN 0.635 nan 8.310 nan 0.000 0.492 161 Q N 1.502 121.110 119.800 -0.320 0.000 2.124 161 Q HA 0.096 4.618 4.340 0.303 0.000 0.202 161 Q C 1.819 177.358 176.000 -0.768 0.000 0.977 161 Q CA 1.748 57.197 55.803 -0.589 0.000 0.850 161 Q CB -0.658 27.703 28.738 -0.628 0.000 0.901 161 Q HN 0.748 nan 8.270 nan 0.000 0.429 162 I N -0.443 119.865 120.570 -0.436 0.000 2.439 162 I HA -0.204 4.148 4.170 0.303 0.000 0.251 162 I C 1.818 177.900 176.117 -0.059 0.000 1.139 162 I CA 0.555 61.755 61.300 -0.167 0.000 1.438 162 I CB -0.222 37.678 38.000 -0.166 0.000 1.085 162 I HN 0.274 nan 8.210 nan 0.000 0.427 163 M N 0.407 119.928 119.600 -0.132 0.000 2.132 163 M HA -0.118 4.544 4.480 0.303 0.000 0.263 163 M C 2.637 178.925 176.300 -0.019 0.000 1.065 163 M CA 1.752 57.006 55.300 -0.077 0.000 1.122 163 M CB -1.368 31.160 32.600 -0.119 0.000 1.365 163 M HN 0.262 nan 8.290 nan 0.000 0.411 164 A N -0.178 122.581 122.820 -0.102 0.000 1.902 164 A HA -0.175 4.327 4.320 0.303 0.000 0.217 164 A C 1.980 179.617 177.584 0.088 0.000 1.181 164 A CA 1.237 53.236 52.037 -0.063 0.000 0.623 164 A CB -0.953 17.932 19.000 -0.190 0.000 0.818 164 A HN 0.547 nan 8.150 nan 0.000 0.443 165 W N -0.252 121.067 121.300 0.032 0.000 2.355 165 W HA -0.111 4.730 4.660 0.302 0.000 0.309 165 W C 2.505 179.087 176.519 0.105 0.000 1.206 165 W CA 1.178 58.550 57.345 0.043 0.000 1.284 165 W CB -1.163 28.297 29.460 0.000 0.000 1.145 165 W HN 0.315 nan 8.180 nan 0.000 0.502 166 M N -0.695 119.136 119.600 0.385 0.000 2.117 166 M HA -0.240 4.422 4.480 0.303 0.000 0.262 166 M C 2.329 178.917 176.300 0.479 0.000 1.065 166 M CA 1.529 57.075 55.300 0.409 0.000 1.114 166 M CB -0.740 32.105 32.600 0.408 0.000 1.361 166 M HN -0.112 nan 8.290 nan 0.000 0.408 167 M N 0.395 120.227 119.600 0.387 0.000 2.117 167 M HA -0.246 4.416 4.480 0.303 0.000 0.262 167 M C 1.464 177.949 176.300 0.309 0.000 1.065 167 M CA 2.289 57.839 55.300 0.417 0.000 1.114 167 M CB -0.518 32.225 32.600 0.238 0.000 1.361 167 M HN 0.226 nan 8.290 nan 0.000 0.408 168 D N -0.113 120.430 120.400 0.238 0.000 2.097 168 D HA -0.260 4.562 4.640 0.303 0.000 0.195 168 D C 1.822 178.204 176.300 0.135 0.000 0.989 168 D CA 1.831 55.936 54.000 0.175 0.000 0.827 168 D CB -0.033 40.878 40.800 0.185 0.000 0.966 168 D HN 0.399 nan 8.370 nan 0.000 0.456 169 E N -0.918 119.376 120.200 0.157 0.000 2.085 169 E HA -0.236 4.296 4.350 0.303 0.000 0.194 169 E C 1.880 178.484 176.600 0.006 0.000 0.994 169 E CA 1.175 57.624 56.400 0.082 0.000 0.801 169 E CB -0.639 29.128 29.700 0.111 0.000 0.743 169 E HN 0.580 nan 8.360 nan 0.000 0.453 170 Y N 0.096 120.336 120.300 -0.100 0.000 2.242 170 Y HA -0.139 4.593 4.550 0.303 0.000 0.291 170 Y C 2.420 178.162 175.900 -0.264 0.000 1.137 170 Y CA 1.830 59.735 58.100 -0.325 0.000 1.181 170 Y CB -0.235 37.743 38.460 -0.805 0.000 0.989 170 Y HN 0.018 nan 8.280 nan 0.000 0.527 171 S N 0.202 115.912 115.700 0.018 0.000 2.382 171 S HA -0.159 4.493 4.470 0.303 0.000 0.228 171 S C 1.857 176.355 174.600 -0.171 0.000 1.027 171 S CA 1.100 59.255 58.200 -0.075 0.000 0.991 171 S CB -0.167 63.061 63.200 0.046 0.000 0.823 171 S HN 0.398 nan 8.310 nan 0.000 0.469 172 R N 1.015 121.445 120.500 -0.115 0.000 2.148 172 R HA 0.164 4.686 4.340 0.303 0.000 0.227 172 R C 1.977 178.169 176.300 -0.181 0.000 1.103 172 R CA 0.709 56.743 56.100 -0.109 0.000 0.983 172 R CB -0.887 29.379 30.300 -0.058 0.000 0.874 172 R HN 0.462 nan 8.270 nan 0.000 0.451 173 I N 0.733 121.131 120.570 -0.286 0.000 2.406 173 I HA -0.165 4.187 4.170 0.303 0.000 0.249 173 I C 0.936 176.811 176.117 -0.403 0.000 1.122 173 I CA 1.160 62.252 61.300 -0.348 0.000 1.431 173 I CB -0.142 37.580 38.000 -0.463 0.000 1.087 173 I HN -0.053 nan 8.210 nan 0.000 0.424 174 D N 0.622 120.684 120.400 -0.564 0.000 2.349 174 D HA -0.039 4.783 4.640 0.303 0.000 0.215 174 D C 0.463 176.448 176.300 -0.524 0.000 1.016 174 D CA 0.358 53.993 54.000 -0.609 0.000 0.870 174 D CB 0.071 40.336 40.800 -0.892 0.000 0.917 174 D HN 0.246 nan 8.370 nan 0.000 0.524 175 E N -1.535 118.464 120.200 -0.335 0.000 3.181 175 E HA -0.223 4.309 4.350 0.303 0.000 0.293 175 E C -0.495 176.141 176.600 0.060 0.000 0.936 175 E CA 0.331 56.672 56.400 -0.099 0.000 0.975 175 E CB -1.832 27.870 29.700 0.004 0.000 1.496 175 E HN 0.463 nan 8.360 nan 0.000 0.429 176 F N -2.904 117.057 119.950 0.019 0.000 2.741 176 F HA 0.451 5.160 4.527 0.303 0.000 0.311 176 F C -0.313 175.529 175.800 0.071 0.000 1.149 176 F CA -1.481 56.543 58.000 0.041 0.000 0.930 176 F CB 0.755 39.779 39.000 0.041 0.000 1.312 176 F HN -0.341 nan 8.300 nan 0.000 0.450 177 N N 1.308 120.216 118.700 0.346 0.000 2.411 177 N HA 0.096 5.018 4.740 0.303 0.000 0.265 177 N C -0.700 175.016 175.510 0.343 0.000 1.266 177 N CA 0.413 53.617 53.050 0.257 0.000 0.889 177 N CB 1.029 39.637 38.487 0.201 0.000 1.069 177 N HN 0.592 nan 8.380 nan 0.000 0.476 178 S N 3.509 119.355 115.700 0.243 0.000 2.139 178 S HA 0.224 4.876 4.470 0.303 0.000 0.183 178 S C -1.662 173.096 174.600 0.262 0.000 1.473 178 S CA -0.999 57.371 58.200 0.283 0.000 1.263 178 S CB 1.247 64.608 63.200 0.269 0.000 1.170 178 S HN 0.425 nan 8.310 nan 0.000 0.430 179 P HA -0.088 nan 4.420 nan 0.000 0.215 179 P C 1.752 179.152 177.300 0.166 0.000 1.153 179 P CA 0.974 64.177 63.100 0.172 0.000 0.853 179 P CB -0.024 31.770 31.700 0.157 0.000 0.788 180 G N -1.038 107.866 108.800 0.175 0.000 2.535 180 G HA2 -0.272 3.870 3.960 0.303 0.000 0.218 180 G HA3 -0.272 3.870 3.960 0.303 0.000 0.218 180 G C 1.246 176.321 174.900 0.292 0.000 1.122 180 G CA 0.051 45.291 45.100 0.233 0.000 0.769 180 G HN 0.183 nan 8.290 nan 0.000 0.549 181 F N 0.583 120.549 119.950 0.026 0.000 2.126 181 F HA 0.149 4.857 4.527 0.302 0.000 0.299 181 F C 0.699 176.436 175.800 -0.105 0.000 1.096 181 F CA 0.353 58.248 58.000 -0.175 0.000 1.255 181 F CB 0.066 38.788 39.000 -0.463 0.000 0.997 181 F HN 0.054 nan 8.300 nan 0.000 0.479 182 I N 0.652 120.942 120.570 -0.466 0.000 2.644 182 I HA 0.263 4.614 4.170 0.303 0.000 0.291 182 I C -0.558 175.421 176.117 -0.230 0.000 1.180 182 I CA -0.499 60.437 61.300 -0.606 0.000 1.040 182 I CB 1.741 39.182 38.000 -0.932 0.000 1.255 182 I HN 0.134 nan 8.210 nan 0.000 0.422 183 T N 1.961 116.405 114.554 -0.183 0.000 2.912 183 T HA 0.668 5.200 4.350 0.303 0.000 0.280 183 T C 0.795 175.433 174.700 -0.103 0.000 0.989 183 T CA 0.090 62.137 62.100 -0.089 0.000 0.995 183 T CB 1.544 70.383 68.868 -0.049 0.000 1.077 183 T HN 1.362 nan 8.240 nan 0.000 0.531 184 G N 0.481 109.235 108.800 -0.076 0.000 2.137 184 G HA2 -0.209 3.933 3.960 0.303 0.000 0.237 184 G HA3 -0.209 3.933 3.960 0.303 0.000 0.237 184 G C -0.062 174.783 174.900 -0.090 0.000 1.002 184 G CA 0.078 45.126 45.100 -0.086 0.000 0.702 184 G HN 0.887 nan 8.290 nan 0.000 0.515 185 K N 0.595 120.950 120.400 -0.074 0.000 2.219 185 K HA 0.374 4.876 4.320 0.303 0.000 0.258 185 K C -2.160 174.388 176.600 -0.087 0.000 1.008 185 K CA -1.553 54.690 56.287 -0.074 0.000 0.928 185 K CB 0.478 32.953 32.500 -0.041 0.000 0.983 185 K HN 0.034 nan 8.250 nan 0.000 0.484 186 P HA -0.057 nan 4.420 nan 0.000 0.266 186 P C 0.566 177.792 177.300 -0.122 0.000 1.195 186 P CA 0.228 63.266 63.100 -0.104 0.000 0.768 186 P CB 0.426 32.065 31.700 -0.101 0.000 0.838 187 L N 2.895 124.029 121.223 -0.148 0.000 2.089 187 L HA -0.207 4.315 4.340 0.303 0.000 0.213 187 L C 2.130 178.861 176.870 -0.232 0.000 1.079 187 L CA 1.671 56.378 54.840 -0.223 0.000 0.758 187 L CB -0.916 40.990 42.059 -0.255 0.000 0.891 187 L HN 0.322 nan 8.230 nan 0.000 0.433 188 V N -2.997 116.819 119.914 -0.163 0.000 3.305 188 V HA -0.074 4.227 4.120 0.303 0.000 0.269 188 V C 1.542 177.558 176.094 -0.130 0.000 1.157 188 V CA 1.021 63.234 62.300 -0.145 0.000 1.157 188 V CB -0.441 31.328 31.823 -0.090 0.000 0.772 188 V HN 0.401 nan 8.190 nan 0.000 0.498 189 L N 1.273 122.425 121.223 -0.118 0.000 2.965 189 L HA 0.600 5.122 4.340 0.303 0.000 0.254 189 L C 1.489 178.320 176.870 -0.064 0.000 1.220 189 L CA 0.363 55.164 54.840 -0.066 0.000 1.023 189 L CB -0.045 41.998 42.059 -0.027 0.000 1.355 189 L HN 0.536 nan 8.230 nan 0.000 0.545 190 G N 0.309 108.996 108.800 -0.188 0.000 2.149 190 G HA2 -0.210 3.932 3.960 0.303 0.000 0.235 190 G HA3 -0.210 3.932 3.960 0.303 0.000 0.235 190 G C 0.526 175.449 174.900 0.038 0.000 1.018 190 G CA -0.131 44.879 45.100 -0.150 0.000 0.728 190 G HN 0.518 nan 8.290 nan 0.000 0.508 191 G N -0.544 108.202 108.800 -0.090 0.000 2.634 191 G HA2 0.565 4.707 3.960 0.303 0.000 0.255 191 G HA3 0.565 4.707 3.960 0.303 0.000 0.255 191 G C 0.342 175.210 174.900 -0.054 0.000 1.205 191 G CA 0.813 45.877 45.100 -0.061 0.000 0.884 191 G HN 1.241 nan 8.290 nan 0.000 0.549 192 S N -1.134 114.541 115.700 -0.042 0.000 2.549 192 S HA 0.386 5.037 4.470 0.303 0.000 0.297 192 S C -0.066 174.506 174.600 -0.047 0.000 1.115 192 S CA -0.833 57.355 58.200 -0.020 0.000 1.059 192 S CB 0.488 63.694 63.200 0.011 0.000 1.046 192 S HN 0.514 nan 8.310 nan 0.000 0.506 193 H N 1.444 120.559 119.070 0.075 0.000 2.897 193 H HA 0.234 4.972 4.556 0.303 0.000 0.347 193 H C 1.544 176.922 175.328 0.083 0.000 1.068 193 H CA 1.725 57.815 56.048 0.069 0.000 1.426 193 H CB 0.792 30.607 29.762 0.088 0.000 1.410 193 H HN 1.105 nan 8.280 nan 0.000 0.597 194 G N 2.826 111.735 108.800 0.183 0.000 2.217 194 G HA2 -0.351 3.791 3.960 0.303 0.000 0.246 194 G HA3 -0.351 3.791 3.960 0.303 0.000 0.246 194 G C 1.648 176.574 174.900 0.043 0.000 0.990 194 G CA 0.619 45.789 45.100 0.116 0.000 0.627 194 G HN 0.549 nan 8.290 nan 0.000 0.522 195 R N 1.247 121.759 120.500 0.020 0.000 2.075 195 R HA 0.067 4.588 4.340 0.303 0.000 0.232 195 R C 2.216 178.464 176.300 -0.086 0.000 1.126 195 R CA 2.355 58.436 56.100 -0.032 0.000 0.963 195 R CB -0.854 29.424 30.300 -0.037 0.000 0.858 195 R HN 0.647 nan 8.270 nan 0.000 0.435 196 E N -0.432 119.704 120.200 -0.107 0.000 2.136 196 E HA -0.207 4.325 4.350 0.303 0.000 0.202 196 E C 0.732 177.107 176.600 -0.375 0.000 1.019 196 E CA 2.085 58.372 56.400 -0.189 0.000 0.819 196 E CB -0.104 29.501 29.700 -0.158 0.000 0.739 196 E HN 0.468 nan 8.360 nan 0.000 0.458 197 S N -1.508 113.947 115.700 -0.408 0.000 2.603 197 S HA 0.434 5.086 4.470 0.303 0.000 0.232 197 S C 1.661 176.203 174.600 -0.096 0.000 1.016 197 S CA 0.124 58.021 58.200 -0.506 0.000 0.976 197 S CB 0.976 63.780 63.200 -0.659 0.000 0.921 197 S HN 0.383 nan 8.310 nan 0.000 0.516 198 A N 2.565 125.340 122.820 -0.075 0.000 1.940 198 A HA -0.157 4.344 4.320 0.303 0.000 0.221 198 A C 2.275 179.855 177.584 -0.005 0.000 1.190 198 A CA 2.596 54.617 52.037 -0.027 0.000 0.647 198 A CB -1.876 17.097 19.000 -0.044 0.000 0.821 198 A HN 0.560 nan 8.150 nan 0.000 0.457 199 T N 0.186 114.733 114.554 -0.013 0.000 2.652 199 T HA -0.061 4.471 4.350 0.303 0.000 0.267 199 T C 2.259 176.996 174.700 0.061 0.000 1.039 199 T CA 1.990 64.095 62.100 0.009 0.000 1.153 199 T CB -0.632 68.235 68.868 -0.002 0.000 0.863 199 T HN 0.690 nan 8.240 nan 0.000 0.428 200 A N 1.656 124.548 122.820 0.121 0.000 1.865 200 A HA -0.163 4.339 4.320 0.303 0.000 0.217 200 A C 2.200 179.938 177.584 0.258 0.000 1.191 200 A CA 2.291 54.471 52.037 0.237 0.000 0.623 200 A CB -0.683 18.531 19.000 0.356 0.000 0.826 200 A HN 0.451 nan 8.150 nan 0.000 0.444 201 K N -0.305 120.215 120.400 0.201 0.000 2.160 201 K HA -0.120 4.382 4.320 0.303 0.000 0.206 201 K C 1.809 178.398 176.600 -0.018 0.000 1.047 201 K CA 1.755 58.005 56.287 -0.062 0.000 0.930 201 K CB -0.676 31.729 32.500 -0.157 0.000 0.720 201 K HN 0.385 nan 8.250 nan 0.000 0.450 202 G N -0.555 108.258 108.800 0.022 0.000 2.403 202 G HA2 -0.150 3.992 3.960 0.303 0.000 0.216 202 G HA3 -0.150 3.992 3.960 0.303 0.000 0.216 202 G C 1.428 176.351 174.900 0.038 0.000 1.154 202 G CA 0.814 45.926 45.100 0.021 0.000 0.784 202 G HN 0.200 nan 8.290 nan 0.000 0.538 203 V N 1.184 121.133 119.914 0.059 0.000 2.379 203 V HA -0.146 4.156 4.120 0.303 0.000 0.245 203 V C 3.113 179.245 176.094 0.065 0.000 1.044 203 V CA 2.215 64.555 62.300 0.067 0.000 1.036 203 V CB -0.946 30.924 31.823 0.080 0.000 0.664 203 V HN 0.371 nan 8.190 nan 0.000 0.453 204 T N 0.918 115.517 114.554 0.076 0.000 2.580 204 T HA -0.228 4.304 4.350 0.303 0.000 0.265 204 T C 1.857 176.554 174.700 -0.005 0.000 1.063 204 T CA 2.194 64.328 62.100 0.056 0.000 1.170 204 T CB -0.420 68.473 68.868 0.042 0.000 0.863 204 T HN 0.337 nan 8.240 nan 0.000 0.418 205 I N 0.743 121.294 120.570 -0.031 0.000 2.185 205 I HA -0.266 4.086 4.170 0.303 0.000 0.246 205 I C 2.790 178.855 176.117 -0.086 0.000 1.088 205 I CA 1.062 62.327 61.300 -0.059 0.000 1.347 205 I CB -0.571 37.405 38.000 -0.041 0.000 1.041 205 I HN 0.355 nan 8.210 nan 0.000 0.415 206 C N 0.451 119.735 119.300 -0.027 0.000 2.435 206 C HA -0.100 4.542 4.460 0.303 0.000 0.279 206 C C 2.720 177.680 174.990 -0.050 0.000 1.321 206 C CA 0.563 59.579 59.018 -0.003 0.000 1.752 206 C CB -0.817 27.001 27.740 0.130 0.000 1.959 206 C HN 0.422 nan 8.230 nan 0.000 0.500 207 I N 0.655 121.216 120.570 -0.016 0.000 2.163 207 I HA -0.203 4.149 4.170 0.303 0.000 0.240 207 I C 2.504 178.575 176.117 -0.077 0.000 1.081 207 I CA 1.522 62.816 61.300 -0.010 0.000 1.353 207 I CB -0.502 37.514 38.000 0.027 0.000 1.054 207 I HN 0.281 nan 8.210 nan 0.000 0.407 208 K N 0.532 120.877 120.400 -0.092 0.000 2.089 208 K HA -0.235 4.267 4.320 0.303 0.000 0.210 208 K C 2.102 178.575 176.600 -0.211 0.000 1.048 208 K CA 1.585 57.801 56.287 -0.119 0.000 0.926 208 K CB -0.170 32.267 32.500 -0.104 0.000 0.714 208 K HN 0.273 nan 8.250 nan 0.000 0.448 209 E N 0.292 120.274 120.200 -0.364 0.000 2.047 209 E HA -0.152 4.380 4.350 0.303 0.000 0.191 209 E C 2.090 178.319 176.600 -0.619 0.000 0.987 209 E CA 1.295 57.309 56.400 -0.643 0.000 0.799 209 E CB -0.290 28.699 29.700 -1.184 0.000 0.752 209 E HN 0.345 nan 8.360 nan 0.000 0.449 210 A N 1.522 124.070 122.820 -0.453 0.000 1.933 210 A HA -0.059 4.443 4.320 0.303 0.000 0.218 210 A C 2.409 179.971 177.584 -0.036 0.000 1.175 210 A CA 1.975 53.977 52.037 -0.059 0.000 0.628 210 A CB -0.551 18.539 19.000 0.151 0.000 0.814 210 A HN 0.260 nan 8.150 nan 0.000 0.444 211 A N 0.286 123.066 122.820 -0.067 0.000 1.845 211 A HA -0.193 4.309 4.320 0.303 0.000 0.215 211 A C 2.073 179.625 177.584 -0.054 0.000 1.195 211 A CA 1.835 53.849 52.037 -0.038 0.000 0.616 211 A CB -0.566 18.412 19.000 -0.037 0.000 0.832 211 A HN 0.522 nan 8.150 nan 0.000 0.443 212 K N -0.733 119.608 120.400 -0.099 0.000 2.211 212 K HA -0.176 4.326 4.320 0.303 0.000 0.204 212 K C 1.996 178.543 176.600 -0.089 0.000 1.047 212 K CA 1.605 57.834 56.287 -0.095 0.000 0.935 212 K CB -0.103 32.320 32.500 -0.128 0.000 0.728 212 K HN 0.255 nan 8.250 nan 0.000 0.452 213 K N 0.556 120.888 120.400 -0.113 0.000 2.167 213 K HA 0.023 4.524 4.320 0.303 0.000 0.203 213 K C 1.686 178.297 176.600 0.019 0.000 1.052 213 K CA 0.851 57.082 56.287 -0.093 0.000 0.956 213 K CB 0.314 32.713 32.500 -0.169 0.000 0.735 213 K HN -0.109 nan 8.250 nan 0.000 0.451 214 R N -0.770 119.749 120.500 0.031 0.000 2.334 214 R HA 0.188 4.710 4.340 0.303 0.000 0.216 214 R C 0.210 176.529 176.300 0.032 0.000 0.905 214 R CA 0.701 56.834 56.100 0.055 0.000 1.064 214 R CB 0.267 30.605 30.300 0.064 0.000 1.046 214 R HN 0.354 nan 8.270 nan 0.000 0.508 215 G N 1.984 110.791 108.800 0.012 0.000 2.272 215 G HA2 -0.254 3.887 3.960 0.303 0.000 0.280 215 G HA3 -0.254 3.887 3.960 0.303 0.000 0.280 215 G C 0.012 174.916 174.900 0.008 0.000 1.067 215 G CA 0.058 45.162 45.100 0.007 0.000 0.902 215 G HN 0.265 nan 8.290 nan 0.000 0.500 216 I N 0.289 120.861 120.570 0.004 0.000 2.354 216 I HA 0.265 4.617 4.170 0.303 0.000 0.292 216 I C -0.326 175.790 176.117 -0.002 0.000 0.989 216 I CA -0.830 60.474 61.300 0.007 0.000 1.188 216 I CB 1.553 39.562 38.000 0.014 0.000 1.342 216 I HN -0.010 nan 8.210 nan 0.000 0.457 217 D N 6.542 126.942 120.400 0.001 0.000 2.339 217 D HA 0.247 5.069 4.640 0.303 0.000 0.241 217 D C 1.066 177.366 176.300 -0.000 0.000 1.183 217 D CA -0.105 53.893 54.000 -0.003 0.000 0.859 217 D CB 1.153 41.952 40.800 -0.002 0.000 1.067 217 D HN 0.387 nan 8.370 nan 0.000 0.484 218 I N 3.218 123.786 120.570 -0.004 0.000 2.614 218 I HA -0.214 4.138 4.170 0.303 0.000 0.258 218 I C 2.184 178.302 176.117 0.002 0.000 1.189 218 I CA 0.403 61.705 61.300 0.002 0.000 1.462 218 I CB -0.121 37.878 38.000 -0.001 0.000 1.092 218 I HN 0.177 nan 8.210 nan 0.000 0.442 219 K N 1.213 121.610 120.400 -0.005 0.000 2.173 219 K HA -0.134 4.368 4.320 0.303 0.000 0.207 219 K C 1.550 178.145 176.600 -0.008 0.000 1.046 219 K CA 1.599 57.881 56.287 -0.009 0.000 0.929 219 K CB -0.579 31.915 32.500 -0.010 0.000 0.720 219 K HN 0.519 nan 8.250 nan 0.000 0.453 220 G N -0.811 107.989 108.800 0.000 0.000 4.658 220 G HA2 0.393 4.535 3.960 0.303 0.000 0.279 220 G HA3 0.393 4.535 3.960 0.303 0.000 0.279 220 G C -0.264 174.645 174.900 0.015 0.000 0.997 220 G CA 0.128 45.230 45.100 0.004 0.000 0.765 220 G HN 0.277 nan 8.290 nan 0.000 0.442 221 A N 0.717 123.549 122.820 0.019 0.000 2.425 221 A HA 0.657 5.159 4.320 0.303 0.000 0.249 221 A C 0.399 178.007 177.584 0.041 0.000 1.084 221 A CA -0.192 51.862 52.037 0.029 0.000 0.781 221 A CB 0.336 19.353 19.000 0.028 0.000 1.019 221 A HN 0.387 nan 8.150 nan 0.000 0.490 222 R N 1.229 121.756 120.500 0.047 0.000 2.196 222 R HA 0.455 4.977 4.340 0.303 0.000 0.340 222 R C -1.235 175.105 176.300 0.067 0.000 1.043 222 R CA -0.273 55.863 56.100 0.061 0.000 0.883 222 R CB 1.120 31.459 30.300 0.066 0.000 1.078 222 R HN 0.419 nan 8.270 nan 0.000 0.462 223 V N 4.283 124.243 119.914 0.075 0.000 2.448 223 V HA 0.316 4.618 4.120 0.303 0.000 0.295 223 V C -0.066 176.076 176.094 0.080 0.000 1.025 223 V CA -0.894 61.450 62.300 0.075 0.000 0.859 223 V CB 1.958 33.830 31.823 0.080 0.000 0.988 223 V HN 0.420 nan 8.190 nan 0.000 0.431 224 V N 5.506 125.460 119.914 0.066 0.000 2.427 224 V HA 0.487 4.789 4.120 0.303 0.000 0.286 224 V C -0.201 175.925 176.094 0.053 0.000 1.034 224 V CA -0.473 61.860 62.300 0.056 0.000 0.893 224 V CB 1.940 33.780 31.823 0.029 0.000 0.982 224 V HN 0.625 nan 8.190 nan 0.000 0.452 225 V N 5.148 125.099 119.914 0.060 0.000 2.376 225 V HA 0.369 4.671 4.120 0.303 0.000 0.287 225 V C -0.053 176.080 176.094 0.066 0.000 1.015 225 V CA -0.552 61.793 62.300 0.075 0.000 0.834 225 V CB 1.510 33.404 31.823 0.119 0.000 1.001 225 V HN 0.939 nan 8.190 nan 0.000 0.428 226 Q N 3.643 123.472 119.800 0.048 0.000 2.294 226 Q HA 0.578 5.100 4.340 0.303 0.000 0.257 226 Q C 0.192 176.231 176.000 0.065 0.000 0.955 226 Q CA 0.540 56.367 55.803 0.039 0.000 0.936 226 Q CB 1.269 30.014 28.738 0.012 0.000 1.188 226 Q HN 1.184 nan 8.270 nan 0.000 0.420 227 G N 3.108 111.965 108.800 0.095 0.000 2.911 227 G HA2 -0.203 3.939 3.960 0.303 0.000 0.686 227 G HA3 -0.203 3.939 3.960 0.303 0.000 0.686 227 G C -1.089 173.968 174.900 0.261 0.000 1.136 227 G CA -0.564 44.618 45.100 0.136 0.000 0.764 227 G HN 0.589 nan 8.290 nan 0.000 0.626 228 F N 2.965 122.947 119.950 0.053 0.000 2.814 228 F HA 0.507 5.216 4.527 0.303 0.000 0.326 228 F C 1.379 177.220 175.800 0.069 0.000 1.159 228 F CA 0.119 58.148 58.000 0.047 0.000 1.234 228 F CB 0.229 39.257 39.000 0.047 0.000 1.016 228 F HN 0.840 nan 8.300 nan 0.000 0.510 229 G N 0.339 109.196 108.800 0.095 0.000 2.468 229 G HA2 -0.114 4.028 3.960 0.303 0.000 0.264 229 G HA3 -0.114 4.028 3.960 0.303 0.000 0.264 229 G C 1.146 176.036 174.900 -0.017 0.000 1.460 229 G CA 0.022 45.164 45.100 0.072 0.000 1.060 229 G HN 0.275 nan 8.290 nan 0.000 0.543 230 N N -0.364 118.365 118.700 0.048 0.000 2.166 230 N HA -0.131 4.791 4.740 0.303 0.000 0.186 230 N C 2.327 177.904 175.510 0.112 0.000 1.019 230 N CA 1.378 54.483 53.050 0.092 0.000 0.856 230 N CB -0.140 38.400 38.487 0.089 0.000 0.993 230 N HN 0.406 nan 8.380 nan 0.000 0.426 231 A N 0.363 123.217 122.820 0.057 0.000 1.874 231 A HA 0.118 4.620 4.320 0.303 0.000 0.214 231 A C 2.327 179.942 177.584 0.053 0.000 1.189 231 A CA 1.529 53.600 52.037 0.058 0.000 0.615 231 A CB -1.187 17.833 19.000 0.033 0.000 0.830 231 A HN 0.413 nan 8.150 nan 0.000 0.443 232 G N 0.266 109.083 108.800 0.028 0.000 2.433 232 G HA2 -0.223 3.919 3.960 0.303 0.000 0.216 232 G HA3 -0.223 3.919 3.960 0.303 0.000 0.216 232 G C 2.052 176.916 174.900 -0.060 0.000 1.186 232 G CA 2.127 47.252 45.100 0.042 0.000 0.779 232 G HN 0.796 nan 8.290 nan 0.000 0.543 233 S N 0.041 115.530 115.700 -0.351 0.000 2.335 233 S HA -0.152 4.500 4.470 0.303 0.000 0.216 233 S C 2.155 176.498 174.600 -0.428 0.000 1.032 233 S CA 1.476 59.235 58.200 -0.734 0.000 1.000 233 S CB -1.026 61.495 63.200 -1.132 0.000 0.928 233 S HN 0.392 nan 8.310 nan 0.000 0.434 234 Y N 1.775 121.851 120.300 -0.373 0.000 2.181 234 Y HA -0.153 4.579 4.550 0.303 0.000 0.284 234 Y C 2.533 178.098 175.900 -0.559 0.000 1.179 234 Y CA 1.364 59.153 58.100 -0.517 0.000 1.179 234 Y CB -0.547 37.699 38.460 -0.357 0.000 0.973 234 Y HN 0.295 nan 8.280 nan 0.000 0.519 235 L N 0.224 121.429 121.223 -0.029 0.000 1.955 235 L HA -0.204 4.318 4.340 0.303 0.000 0.213 235 L C 2.479 179.395 176.870 0.077 0.000 1.072 235 L CA 2.172 57.077 54.840 0.108 0.000 0.755 235 L CB -1.395 40.740 42.059 0.126 0.000 0.888 235 L HN 0.135 nan 8.230 nan 0.000 0.432 236 A N -0.576 122.281 122.820 0.061 0.000 1.927 236 A HA -0.342 4.160 4.320 0.303 0.000 0.220 236 A C 2.497 180.133 177.584 0.088 0.000 1.185 236 A CA 2.452 54.556 52.037 0.112 0.000 0.639 236 A CB -0.834 18.287 19.000 0.201 0.000 0.820 236 A HN 0.582 nan 8.150 nan 0.000 0.451 237 K N -1.568 118.805 120.400 -0.044 0.000 2.026 237 K HA -0.148 4.354 4.320 0.303 0.000 0.208 237 K C 1.695 178.354 176.600 0.099 0.000 1.048 237 K CA 1.667 57.925 56.287 -0.049 0.000 0.929 237 K CB -0.322 32.019 32.500 -0.265 0.000 0.713 237 K HN 0.391 nan 8.250 nan 0.000 0.439 238 F N 0.853 120.878 119.950 0.124 0.000 2.202 238 F HA -0.181 4.527 4.527 0.302 0.000 0.301 238 F C 2.299 178.155 175.800 0.093 0.000 1.082 238 F CA 0.885 58.949 58.000 0.106 0.000 1.313 238 F CB -0.448 38.609 39.000 0.096 0.000 1.024 238 F HN 0.077 nan 8.300 nan 0.000 0.495 239 M N -1.247 118.518 119.600 0.275 0.000 2.200 239 M HA -0.157 4.505 4.480 0.303 0.000 0.265 239 M C 2.356 178.761 176.300 0.175 0.000 1.066 239 M CA 1.373 56.786 55.300 0.188 0.000 1.127 239 M CB -1.601 31.094 32.600 0.159 0.000 1.379 239 M HN 0.254 nan 8.290 nan 0.000 0.420 240 H N 0.644 119.773 119.070 0.098 0.000 2.321 240 H HA -0.159 4.579 4.556 0.303 0.000 0.300 240 H C 0.940 176.315 175.328 0.078 0.000 1.087 240 H CA 1.847 57.940 56.048 0.075 0.000 1.319 240 H CB 0.297 30.097 29.762 0.064 0.000 1.379 240 H HN 0.260 nan 8.280 nan 0.000 0.501 241 D N 0.402 120.881 120.400 0.132 0.000 2.264 241 D HA -0.043 4.779 4.640 0.303 0.000 0.208 241 D C 1.949 178.272 176.300 0.039 0.000 0.966 241 D CA 0.872 54.917 54.000 0.075 0.000 0.864 241 D CB -0.326 40.581 40.800 0.179 0.000 0.933 241 D HN 0.420 nan 8.370 nan 0.000 0.499 242 A N -0.096 122.762 122.820 0.064 0.000 2.209 242 A HA 0.343 4.844 4.320 0.303 0.000 0.212 242 A C 1.846 179.427 177.584 -0.005 0.000 1.158 242 A CA 1.201 53.258 52.037 0.033 0.000 0.742 242 A CB -0.329 18.702 19.000 0.052 0.000 0.790 242 A HN 0.270 nan 8.150 nan 0.000 0.472 243 G N -2.383 106.390 108.800 -0.046 0.000 2.157 243 G HA2 0.109 4.251 3.960 0.303 0.000 0.239 243 G HA3 0.109 4.251 3.960 0.303 0.000 0.239 243 G C 0.426 175.296 174.900 -0.050 0.000 0.982 243 G CA 0.302 45.354 45.100 -0.080 0.000 0.650 243 G HN 1.535 nan 8.290 nan 0.000 0.527 244 A N -0.137 122.678 122.820 -0.007 0.000 2.332 244 A HA 0.664 5.166 4.320 0.303 0.000 0.258 244 A C 0.564 178.181 177.584 0.055 0.000 1.087 244 A CA 0.153 52.209 52.037 0.032 0.000 0.802 244 A CB 0.432 19.469 19.000 0.062 0.000 1.042 244 A HN 0.322 nan 8.150 nan 0.000 0.489 245 K N 1.330 121.769 120.400 0.064 0.000 2.266 245 K HA 0.357 4.859 4.320 0.303 0.000 0.274 245 K C -1.115 175.545 176.600 0.101 0.000 1.090 245 K CA -0.279 56.059 56.287 0.086 0.000 0.925 245 K CB 1.018 33.551 32.500 0.054 0.000 1.225 245 K HN 0.411 nan 8.250 nan 0.000 0.458 246 V N 5.323 125.317 119.914 0.134 0.000 2.352 246 V HA -0.041 4.260 4.120 0.303 0.000 0.253 246 V C 1.392 177.535 176.094 0.083 0.000 1.083 246 V CA -0.044 62.322 62.300 0.110 0.000 0.993 246 V CB 0.111 32.005 31.823 0.118 0.000 1.111 246 V HN 0.619 nan 8.190 nan 0.000 0.490 247 V N 2.072 122.044 119.914 0.096 0.000 2.725 247 V HA 0.411 4.713 4.120 0.303 0.000 0.247 247 V C 1.021 177.234 176.094 0.198 0.000 1.058 247 V CA 1.012 63.382 62.300 0.117 0.000 1.080 247 V CB -0.248 31.676 31.823 0.168 0.000 0.713 247 V HN 0.690 nan 8.190 nan 0.000 0.465 248 G N 0.221 109.110 108.800 0.149 0.000 2.609 248 G HA2 0.746 4.888 3.960 0.303 0.000 0.308 248 G HA3 0.746 4.888 3.960 0.303 0.000 0.308 248 G C -1.239 173.672 174.900 0.019 0.000 1.369 248 G CA -0.519 44.640 45.100 0.098 0.000 0.958 248 G HN 0.212 nan 8.290 nan 0.000 0.499 249 I N 1.084 121.627 120.570 -0.046 0.000 2.865 249 I HA 0.631 4.982 4.170 0.303 0.000 0.302 249 I C -0.300 175.737 176.117 -0.132 0.000 1.140 249 I CA -0.901 60.337 61.300 -0.103 0.000 1.021 249 I CB 2.799 40.644 38.000 -0.259 0.000 1.233 249 I HN 0.675 nan 8.210 nan 0.000 0.427 250 S N 2.094 117.747 115.700 -0.078 0.000 2.550 250 S HA 0.674 5.325 4.470 0.303 0.000 0.270 250 S C -1.488 173.147 174.600 0.059 0.000 1.145 250 S CA -0.911 57.269 58.200 -0.033 0.000 0.852 250 S CB 2.523 65.718 63.200 -0.008 0.000 1.119 250 S HN 0.636 nan 8.310 nan 0.000 0.465 251 D N 1.022 121.481 120.400 0.098 0.000 2.668 251 D HA 0.713 5.535 4.640 0.303 0.000 0.249 251 D C 1.440 177.786 176.300 0.077 0.000 1.150 251 D CA -0.340 53.764 54.000 0.174 0.000 1.090 251 D CB -0.009 40.972 40.800 0.303 0.000 1.244 251 D HN 0.702 nan 8.370 nan 0.000 0.636 252 A N -1.371 121.434 122.820 -0.026 0.000 2.019 252 A HA -0.126 4.376 4.320 0.303 0.000 0.219 252 A C 1.650 179.027 177.584 -0.345 0.000 1.164 252 A CA 1.177 53.042 52.037 -0.288 0.000 0.644 252 A CB -1.115 17.562 19.000 -0.538 0.000 0.805 252 A HN 0.569 nan 8.150 nan 0.000 0.449 253 Y N -1.210 119.134 120.300 0.074 0.000 2.503 253 Y HA 0.416 5.149 4.550 0.304 0.000 0.278 253 Y C 1.469 177.396 175.900 0.045 0.000 1.111 253 Y CA 0.301 58.438 58.100 0.062 0.000 1.270 253 Y CB 0.202 38.706 38.460 0.073 0.000 1.063 253 Y HN 0.444 nan 8.280 nan 0.000 0.548 254 G N -1.210 107.680 108.800 0.151 0.000 2.317 254 G HA2 0.416 4.557 3.960 0.303 0.000 0.293 254 G HA3 0.416 4.557 3.960 0.303 0.000 0.293 254 G C -1.175 173.742 174.900 0.029 0.000 1.287 254 G CA -0.379 44.768 45.100 0.077 0.000 0.850 254 G HN 0.240 nan 8.290 nan 0.000 0.515 255 G N -1.342 107.454 108.800 -0.008 0.000 2.473 255 G HA2 0.710 4.852 3.960 0.303 0.000 0.321 255 G HA3 0.710 4.852 3.960 0.303 0.000 0.321 255 G C -1.581 173.269 174.900 -0.084 0.000 1.200 255 G CA -0.645 44.424 45.100 -0.052 0.000 0.963 255 G HN 0.605 nan 8.290 nan 0.000 0.483 256 L N 0.419 121.562 121.223 -0.134 0.000 2.346 256 L HA 0.593 5.114 4.340 0.303 0.000 0.274 256 L C -1.039 175.833 176.870 0.003 0.000 1.007 256 L CA -1.218 53.525 54.840 -0.162 0.000 0.818 256 L CB 1.683 43.517 42.059 -0.374 0.000 1.284 256 L HN 0.527 nan 8.230 nan 0.000 0.424 257 Y N 2.470 122.691 120.300 -0.133 0.000 2.477 257 Y HA 0.644 5.376 4.550 0.304 0.000 0.347 257 Y C -1.274 174.585 175.900 -0.067 0.000 0.981 257 Y CA -1.475 56.576 58.100 -0.081 0.000 1.033 257 Y CB 1.819 40.247 38.460 -0.052 0.000 1.245 257 Y HN 0.628 nan 8.280 nan 0.000 0.455 258 D N 7.230 127.377 120.400 -0.422 0.000 2.333 258 D HA 0.270 5.092 4.640 0.303 0.000 0.225 258 D C -2.565 173.469 176.300 -0.442 0.000 1.345 258 D CA -1.498 52.263 54.000 -0.399 0.000 0.971 258 D CB 2.252 42.949 40.800 -0.173 0.000 1.451 258 D HN 0.231 nan 8.370 nan 0.000 0.561 259 P HA -0.074 nan 4.420 nan 0.000 0.223 259 P C 0.716 177.931 177.300 -0.142 0.000 1.144 259 P CA 0.868 63.763 63.100 -0.342 0.000 0.783 259 P CB 0.488 32.028 31.700 -0.267 0.000 0.771 260 E N -1.191 118.933 120.200 -0.128 0.000 2.481 260 E HA 0.273 4.805 4.350 0.303 0.000 0.198 260 E C 0.838 177.427 176.600 -0.019 0.000 1.027 260 E CA 0.207 56.574 56.400 -0.056 0.000 0.900 260 E CB -0.014 29.656 29.700 -0.050 0.000 0.993 260 E HN 0.108 nan 8.360 nan 0.000 0.482 261 G N 1.636 110.420 108.800 -0.026 0.000 3.439 261 G HA2 -0.186 3.956 3.960 0.303 0.000 0.686 261 G HA3 -0.186 3.956 3.960 0.303 0.000 0.686 261 G C -0.288 174.622 174.900 0.017 0.000 1.075 261 G CA -0.582 44.534 45.100 0.028 0.000 0.926 261 G HN 0.081 nan 8.290 nan 0.000 0.485 262 L N 1.499 122.717 121.223 -0.010 0.000 2.499 262 L HA 0.141 4.663 4.340 0.303 0.000 0.281 262 L C 1.066 177.908 176.870 -0.047 0.000 1.234 262 L CA -0.201 54.613 54.840 -0.042 0.000 0.839 262 L CB 0.385 42.396 42.059 -0.079 0.000 1.104 262 L HN 0.622 nan 8.230 nan 0.000 0.500 263 D N 2.247 122.630 120.400 -0.028 0.000 2.489 263 D HA 0.034 4.856 4.640 0.303 0.000 0.237 263 D C 1.153 177.425 176.300 -0.046 0.000 1.212 263 D CA -0.111 53.874 54.000 -0.026 0.000 1.058 263 D CB 0.400 41.222 40.800 0.036 0.000 1.098 263 D HN 0.275 nan 8.370 nan 0.000 0.509 264 I N 2.180 122.606 120.570 -0.239 0.000 2.127 264 I HA -0.259 4.093 4.170 0.303 0.000 0.241 264 I C 1.714 177.793 176.117 -0.064 0.000 1.075 264 I CA 1.060 62.258 61.300 -0.170 0.000 1.334 264 I CB -0.687 37.127 38.000 -0.309 0.000 1.040 264 I HN 0.365 nan 8.210 nan 0.000 0.405 265 D N -0.181 120.155 120.400 -0.107 0.000 2.170 265 D HA -0.281 4.540 4.640 0.303 0.000 0.193 265 D C 2.126 178.468 176.300 0.071 0.000 1.004 265 D CA 1.610 55.607 54.000 -0.006 0.000 0.860 265 D CB -0.448 40.368 40.800 0.027 0.000 0.931 265 D HN 0.420 nan 8.370 nan 0.000 0.448 266 Y N 1.049 121.336 120.300 -0.021 0.000 2.220 266 Y HA -0.025 4.707 4.550 0.303 0.000 0.291 266 Y C 2.300 178.235 175.900 0.058 0.000 1.129 266 Y CA 0.860 58.971 58.100 0.018 0.000 1.161 266 Y CB -0.317 38.156 38.460 0.023 0.000 0.997 266 Y HN -0.098 nan 8.280 nan 0.000 0.522 267 L N -0.232 121.027 121.223 0.059 0.000 2.056 267 L HA -0.205 4.317 4.340 0.303 0.000 0.207 267 L C 1.929 178.893 176.870 0.157 0.000 1.078 267 L CA 1.289 56.138 54.840 0.016 0.000 0.749 267 L CB -0.690 41.325 42.059 -0.074 0.000 0.901 267 L HN 0.324 nan 8.230 nan 0.000 0.433 268 L N -3.541 117.806 121.223 0.208 0.000 2.599 268 L HA 0.071 4.593 4.340 0.303 0.000 0.230 268 L C 1.533 178.383 176.870 -0.033 0.000 1.141 268 L CA 1.031 55.937 54.840 0.110 0.000 0.877 268 L CB -1.088 40.910 42.059 -0.102 0.000 1.009 268 L HN 0.039 nan 8.230 nan 0.000 0.447 269 D N 0.827 121.183 120.400 -0.074 0.000 2.091 269 D HA -0.105 4.717 4.640 0.303 0.000 0.199 269 D C 2.146 178.355 176.300 -0.152 0.000 0.980 269 D CA 1.117 55.043 54.000 -0.123 0.000 0.831 269 D CB 0.154 40.862 40.800 -0.154 0.000 0.987 269 D HN 0.268 nan 8.370 nan 0.000 0.460 270 R N 0.172 120.531 120.500 -0.235 0.000 2.316 270 R HA 0.046 4.567 4.340 0.303 0.000 0.202 270 R C 0.807 177.084 176.300 -0.038 0.000 1.029 270 R CA -0.069 55.924 56.100 -0.178 0.000 1.018 270 R CB -0.180 29.972 30.300 -0.247 0.000 0.888 270 R HN 0.120 nan 8.270 nan 0.000 0.471 271 R N 2.679 123.192 120.500 0.022 0.000 2.590 271 R HA -0.035 4.486 4.340 0.303 0.000 0.274 271 R C -0.656 175.657 176.300 0.021 0.000 1.061 271 R CA -0.064 56.095 56.100 0.099 0.000 1.081 271 R CB 0.513 30.895 30.300 0.137 0.000 0.984 271 R HN 0.002 nan 8.270 nan 0.000 0.448 272 D N 1.550 121.978 120.400 0.047 0.000 2.326 272 D HA 0.099 4.921 4.640 0.303 0.000 0.248 272 D C 0.691 176.948 176.300 -0.071 0.000 1.001 272 D CA -0.499 53.494 54.000 -0.011 0.000 0.961 272 D CB 1.403 42.218 40.800 0.026 0.000 1.183 272 D HN 0.475 nan 8.370 nan 0.000 0.502 273 S N -0.268 115.300 115.700 -0.221 0.000 2.432 273 S HA -0.293 4.359 4.470 0.303 0.000 0.243 273 S C 1.192 175.520 174.600 -0.453 0.000 1.069 273 S CA 1.198 59.143 58.200 -0.426 0.000 1.047 273 S CB -0.854 61.922 63.200 -0.707 0.000 0.854 273 S HN 0.520 nan 8.310 nan 0.000 0.474 274 F N 1.639 121.588 119.950 -0.003 0.000 2.664 274 F HA 0.487 5.196 4.527 0.303 0.000 0.303 274 F C 1.863 177.790 175.800 0.211 0.000 1.092 274 F CA -0.454 57.567 58.000 0.034 0.000 1.305 274 F CB -0.145 38.778 39.000 -0.129 0.000 1.054 274 F HN 0.363 nan 8.300 nan 0.000 0.565 275 G N 1.123 110.086 108.800 0.271 0.000 2.137 275 G HA2 -0.263 3.879 3.960 0.303 0.000 0.237 275 G HA3 -0.263 3.879 3.960 0.303 0.000 0.237 275 G C 0.346 175.474 174.900 0.380 0.000 1.002 275 G CA 0.326 45.590 45.100 0.273 0.000 0.702 275 G HN 0.533 nan 8.290 nan 0.000 0.515 276 T N -3.025 111.744 114.554 0.359 0.000 2.922 276 T HA 0.721 5.252 4.350 0.303 0.000 0.285 276 T C 0.689 175.546 174.700 0.261 0.000 1.005 276 T CA 0.201 62.510 62.100 0.349 0.000 1.061 276 T CB 2.306 71.370 68.868 0.328 0.000 1.007 276 T HN 1.314 nan 8.240 nan 0.000 0.502 277 V N 1.481 121.527 119.914 0.221 0.000 3.605 277 V HA 0.112 4.414 4.120 0.303 0.000 0.262 277 V C 1.759 178.015 176.094 0.271 0.000 1.741 277 V CA 0.847 63.263 62.300 0.193 0.000 1.097 277 V CB -0.137 31.770 31.823 0.140 0.000 0.934 277 V HN 1.042 nan 8.190 nan 0.000 0.373 278 T N 0.624 115.304 114.554 0.211 0.000 2.821 278 T HA -0.136 4.396 4.350 0.303 0.000 0.267 278 T C 1.622 176.502 174.700 0.300 0.000 1.046 278 T CA 2.126 64.370 62.100 0.240 0.000 1.139 278 T CB -0.125 68.858 68.868 0.191 0.000 0.871 278 T HN 0.473 nan 8.240 nan 0.000 0.454 279 K N 0.815 121.286 120.400 0.119 0.000 2.211 279 K HA 0.029 4.531 4.320 0.303 0.000 0.204 279 K C 1.709 178.307 176.600 -0.004 0.000 1.047 279 K CA 0.840 57.137 56.287 0.017 0.000 0.935 279 K CB -0.265 32.165 32.500 -0.116 0.000 0.728 279 K HN 0.294 nan 8.250 nan 0.000 0.452 280 L N 0.069 121.246 121.223 -0.077 0.000 2.633 280 L HA -0.006 4.516 4.340 0.303 0.000 0.235 280 L C -0.025 176.456 176.870 -0.648 0.000 1.163 280 L CA 0.512 55.095 54.840 -0.427 0.000 0.859 280 L CB -0.214 41.437 42.059 -0.679 0.000 0.973 280 L HN -0.008 nan 8.230 nan 0.000 0.451 281 F N -1.615 118.337 119.950 0.003 0.000 2.593 281 F HA 0.390 5.099 4.527 0.303 0.000 0.320 281 F C 1.036 176.844 175.800 0.014 0.000 1.060 281 F CA -0.967 57.042 58.000 0.014 0.000 0.940 281 F CB 0.935 39.946 39.000 0.018 0.000 1.268 281 F HN -0.183 nan 8.300 nan 0.000 0.475 282 N N 0.091 118.909 118.700 0.196 0.000 2.166 282 N HA -0.020 4.902 4.740 0.303 0.000 0.213 282 N C -0.188 175.386 175.510 0.107 0.000 1.222 282 N CA 0.259 53.378 53.050 0.115 0.000 0.900 282 N CB 0.619 39.148 38.487 0.069 0.000 1.055 282 N HN 0.703 nan 8.380 nan 0.000 0.515 283 D N 1.589 122.068 120.400 0.132 0.000 2.460 283 D HA -0.015 4.807 4.640 0.303 0.000 0.229 283 D C 0.422 176.767 176.300 0.075 0.000 1.170 283 D CA -0.136 53.919 54.000 0.092 0.000 0.827 283 D CB -0.191 40.662 40.800 0.088 0.000 0.973 283 D HN 0.007 nan 8.370 nan 0.000 0.496 284 T N -0.537 114.066 114.554 0.082 0.000 2.860 284 T HA 0.453 4.985 4.350 0.303 0.000 0.299 284 T C 0.750 175.475 174.700 0.040 0.000 1.045 284 T CA -0.755 61.375 62.100 0.051 0.000 1.071 284 T CB 1.387 70.299 68.868 0.074 0.000 0.985 284 T HN 0.290 nan 8.240 nan 0.000 0.537 285 I N -1.132 119.449 120.570 0.020 0.000 3.023 285 I HA 0.683 5.035 4.170 0.303 0.000 0.312 285 I C 0.495 176.613 176.117 0.001 0.000 1.056 285 I CA -1.276 60.028 61.300 0.006 0.000 1.033 285 I CB 1.955 39.942 38.000 -0.021 0.000 1.233 285 I HN 0.853 nan 8.210 nan 0.000 0.462 286 T N -0.820 113.729 114.554 -0.007 0.000 2.868 286 T HA 0.203 4.735 4.350 0.303 0.000 0.292 286 T C 0.724 175.411 174.700 -0.022 0.000 1.028 286 T CA -0.382 61.715 62.100 -0.005 0.000 1.059 286 T CB 0.795 69.660 68.868 -0.004 0.000 0.991 286 T HN 0.700 nan 8.240 nan 0.000 0.531 287 N N 0.898 119.589 118.700 -0.016 0.000 2.244 287 N HA -0.132 4.790 4.740 0.303 0.000 0.183 287 N C 2.123 177.613 175.510 -0.032 0.000 1.016 287 N CA 1.215 54.251 53.050 -0.024 0.000 0.866 287 N CB -0.030 38.446 38.487 -0.019 0.000 0.980 287 N HN 0.783 nan 8.380 nan 0.000 0.430 288 Q N 0.947 120.730 119.800 -0.028 0.000 2.311 288 Q HA -0.049 4.473 4.340 0.303 0.000 0.203 288 Q C 1.023 176.998 176.000 -0.043 0.000 0.954 288 Q CA 1.051 56.837 55.803 -0.029 0.000 0.885 288 Q CB -0.276 28.451 28.738 -0.019 0.000 0.963 288 Q HN 0.394 nan 8.270 nan 0.000 0.471 289 E N 1.078 121.246 120.200 -0.054 0.000 2.072 289 E HA -0.067 4.465 4.350 0.303 0.000 0.190 289 E C 2.128 178.651 176.600 -0.128 0.000 0.982 289 E CA 0.756 57.106 56.400 -0.083 0.000 0.803 289 E CB -0.086 29.565 29.700 -0.083 0.000 0.755 289 E HN 0.261 nan 8.360 nan 0.000 0.453 290 L N 0.943 122.094 121.223 -0.120 0.000 2.043 290 L HA -0.199 4.323 4.340 0.303 0.000 0.212 290 L C 1.994 178.800 176.870 -0.105 0.000 1.075 290 L CA 1.373 56.130 54.840 -0.138 0.000 0.752 290 L CB -0.074 41.933 42.059 -0.086 0.000 0.891 290 L HN 0.122 nan 8.230 nan 0.000 0.432 291 L N -0.828 120.353 121.223 -0.070 0.000 2.456 291 L HA -0.120 4.401 4.340 0.303 0.000 0.224 291 L C 1.748 178.587 176.870 -0.051 0.000 1.148 291 L CA 0.837 55.648 54.840 -0.048 0.000 0.825 291 L CB -0.285 41.753 42.059 -0.035 0.000 0.937 291 L HN 0.339 nan 8.230 nan 0.000 0.450 292 E N -0.705 119.453 120.200 -0.071 0.000 2.526 292 E HA 0.177 4.709 4.350 0.303 0.000 0.208 292 E C 0.209 176.754 176.600 -0.091 0.000 0.997 292 E CA -0.315 56.048 56.400 -0.062 0.000 0.961 292 E CB 0.509 30.180 29.700 -0.049 0.000 1.030 292 E HN 0.296 nan 8.360 nan 0.000 0.483 293 L N 2.341 123.474 121.223 -0.150 0.000 2.615 293 L HA -0.069 4.453 4.340 0.303 0.000 0.284 293 L C 0.414 177.242 176.870 -0.069 0.000 1.237 293 L CA 0.100 54.811 54.840 -0.216 0.000 0.905 293 L CB 0.019 41.909 42.059 -0.281 0.000 1.149 293 L HN 0.084 nan 8.230 nan 0.000 0.499 294 D N 3.058 123.449 120.400 -0.015 0.000 2.434 294 D HA 0.251 5.073 4.640 0.303 0.000 0.252 294 D C -0.315 176.029 176.300 0.074 0.000 1.185 294 D CA 0.153 54.182 54.000 0.047 0.000 0.886 294 D CB 0.377 41.228 40.800 0.084 0.000 1.148 294 D HN 0.650 nan 8.370 nan 0.000 0.483 295 C N 2.124 121.456 119.300 0.053 0.000 3.216 295 C HA 0.380 5.022 4.460 0.303 0.000 0.346 295 C C 0.544 175.562 174.990 0.046 0.000 1.384 295 C CA -0.732 58.322 59.018 0.059 0.000 1.208 295 C CB 0.908 28.685 27.740 0.062 0.000 1.483 295 C HN 0.505 nan 8.230 nan 0.000 0.453 296 D N 0.614 121.042 120.400 0.047 0.000 2.197 296 D HA 0.212 5.034 4.640 0.303 0.000 0.212 296 D C 0.313 176.638 176.300 0.042 0.000 0.963 296 D CA 1.423 55.447 54.000 0.041 0.000 0.864 296 D CB 0.299 41.123 40.800 0.039 0.000 1.009 296 D HN 0.661 nan 8.370 nan 0.000 0.479 297 I N 1.634 122.231 120.570 0.045 0.000 2.439 297 I HA 0.170 4.522 4.170 0.303 0.000 0.283 297 I C -1.100 175.044 176.117 0.045 0.000 1.023 297 I CA -0.922 60.406 61.300 0.047 0.000 1.100 297 I CB 2.482 40.512 38.000 0.050 0.000 1.238 297 I HN -0.167 nan 8.210 nan 0.000 0.445 298 L N 8.593 129.839 121.223 0.037 0.000 2.289 298 L HA 0.557 5.079 4.340 0.303 0.000 0.285 298 L C -0.608 176.282 176.870 0.033 0.000 1.049 298 L CA -0.170 54.688 54.840 0.030 0.000 0.804 298 L CB 1.509 43.577 42.059 0.015 0.000 1.195 298 L HN 0.347 nan 8.230 nan 0.000 0.428 299 V N 6.964 126.900 119.914 0.036 0.000 2.289 299 V HA 0.357 4.659 4.120 0.303 0.000 0.272 299 V C -2.254 173.857 176.094 0.029 0.000 1.026 299 V CA -1.382 60.941 62.300 0.039 0.000 0.807 299 V CB 1.033 32.891 31.823 0.058 0.000 1.044 299 V HN 0.717 nan 8.190 nan 0.000 0.443 300 P HA 0.243 nan 4.420 nan 0.000 0.269 300 P C 0.237 177.536 177.300 -0.002 0.000 1.252 300 P CA 0.297 63.396 63.100 -0.001 0.000 0.780 300 P CB 0.955 32.643 31.700 -0.020 0.000 0.829 301 A N 2.936 125.763 122.820 0.012 0.000 2.616 301 A HA 0.645 5.147 4.320 0.303 0.000 0.294 301 A C 0.699 178.286 177.584 0.006 0.000 1.091 301 A CA 0.264 52.309 52.037 0.014 0.000 0.971 301 A CB 0.057 19.084 19.000 0.045 0.000 1.222 301 A HN 0.475 nan 8.150 nan 0.000 0.521 302 A N 0.198 123.011 122.820 -0.011 0.000 3.708 302 A HA 0.834 5.336 4.320 0.303 0.000 0.178 302 A C 0.459 178.007 177.584 -0.059 0.000 1.050 302 A CA 0.014 52.035 52.037 -0.025 0.000 1.245 302 A CB -0.437 18.556 19.000 -0.012 0.000 1.600 302 A HN 0.829 nan 8.150 nan 0.000 0.697 303 I N -1.045 119.486 120.570 -0.066 0.000 3.156 303 I HA 0.413 4.765 4.170 0.303 0.000 0.306 303 I C 0.011 176.096 176.117 -0.054 0.000 1.048 303 I CA -0.581 60.671 61.300 -0.080 0.000 1.207 303 I CB 0.478 38.426 38.000 -0.086 0.000 1.456 303 I HN 0.735 nan 8.210 nan 0.000 0.616 304 E N 1.496 121.671 120.200 -0.041 0.000 2.369 304 E HA 0.139 4.671 4.350 0.303 0.000 0.255 304 E C -0.550 176.044 176.600 -0.010 0.000 1.172 304 E CA -0.584 55.807 56.400 -0.014 0.000 0.932 304 E CB -0.059 29.656 29.700 0.026 0.000 1.040 304 E HN 0.664 nan 8.360 nan 0.000 0.454 305 N N 1.071 119.771 118.700 0.001 0.000 2.714 305 N HA -0.172 4.749 4.740 0.303 0.000 0.253 305 N C 0.089 175.593 175.510 -0.010 0.000 1.024 305 N CA 0.590 53.640 53.050 0.000 0.000 0.726 305 N CB -0.740 37.751 38.487 0.008 0.000 0.908 305 N HN 0.506 nan 8.380 nan 0.000 0.542 306 Q N -0.339 119.450 119.800 -0.018 0.000 2.373 306 Q HA 0.283 4.805 4.340 0.303 0.000 0.210 306 Q C 0.826 176.813 176.000 -0.021 0.000 0.913 306 Q CA 0.578 56.369 55.803 -0.020 0.000 0.911 306 Q CB 0.899 29.623 28.738 -0.024 0.000 1.040 306 Q HN 0.587 nan 8.270 nan 0.000 0.521 307 I N 2.304 122.860 120.570 -0.024 0.000 2.388 307 I HA 0.143 4.495 4.170 0.303 0.000 0.281 307 I C 0.491 176.591 176.117 -0.029 0.000 1.046 307 I CA -0.339 60.943 61.300 -0.029 0.000 1.187 307 I CB 1.187 39.165 38.000 -0.036 0.000 1.351 307 I HN -0.031 nan 8.210 nan 0.000 0.472 308 T N -0.035 114.505 114.554 -0.023 0.000 2.906 308 T HA 0.299 4.831 4.350 0.303 0.000 0.283 308 T C 0.980 175.664 174.700 -0.026 0.000 1.098 308 T CA -0.416 61.673 62.100 -0.018 0.000 0.960 308 T CB 1.041 69.905 68.868 -0.006 0.000 1.776 308 T HN 0.479 nan 8.240 nan 0.000 0.594 309 E N 0.841 121.036 120.200 -0.009 0.000 2.204 309 E HA -0.101 4.431 4.350 0.303 0.000 0.194 309 E C 1.610 178.233 176.600 0.039 0.000 0.989 309 E CA 0.994 57.398 56.400 0.006 0.000 0.824 309 E CB 0.071 29.784 29.700 0.022 0.000 0.756 309 E HN 0.752 nan 8.360 nan 0.000 0.477 310 E N -0.148 120.070 120.200 0.029 0.000 2.451 310 E HA -0.006 4.526 4.350 0.303 0.000 0.194 310 E C 0.431 177.055 176.600 0.039 0.000 1.027 310 E CA 0.085 56.512 56.400 0.045 0.000 0.914 310 E CB 0.203 29.920 29.700 0.029 0.000 1.054 310 E HN 0.170 nan 8.360 nan 0.000 0.461 311 N N -0.047 118.666 118.700 0.022 0.000 1.952 311 N HA 0.081 5.003 4.740 0.303 0.000 0.228 311 N C 1.331 176.833 175.510 -0.013 0.000 1.398 311 N CA 0.458 53.516 53.050 0.014 0.000 0.817 311 N CB -0.225 38.261 38.487 -0.001 0.000 1.101 311 N HN 0.061 nan 8.380 nan 0.000 0.498 312 A N 0.908 123.688 122.820 -0.067 0.000 1.978 312 A HA -0.139 4.363 4.320 0.303 0.000 0.220 312 A C 1.529 179.002 177.584 -0.184 0.000 1.170 312 A CA 1.565 53.509 52.037 -0.155 0.000 0.636 312 A CB -1.106 17.745 19.000 -0.247 0.000 0.810 312 A HN 0.522 nan 8.150 nan 0.000 0.448 313 H N -0.426 118.641 119.070 -0.005 0.000 2.529 313 H HA 0.042 4.780 4.556 0.303 0.000 0.277 313 H C 0.914 176.240 175.328 -0.004 0.000 0.999 313 H CA 0.956 57.002 56.048 -0.004 0.000 1.256 313 H CB 0.157 29.916 29.762 -0.004 0.000 1.402 313 H HN 0.460 nan 8.280 nan 0.000 0.566 314 N N 0.985 119.735 118.700 0.083 0.000 2.280 314 N HA 0.065 4.987 4.740 0.303 0.000 0.192 314 N C 0.004 175.523 175.510 0.017 0.000 1.109 314 N CA 0.128 53.206 53.050 0.047 0.000 0.855 314 N CB 0.474 38.981 38.487 0.033 0.000 0.974 314 N HN 0.417 nan 8.380 nan 0.000 0.482 315 I N -0.976 119.598 120.570 0.007 0.000 2.342 315 I HA 0.350 4.702 4.170 0.303 0.000 0.291 315 I C 0.670 176.790 176.117 0.006 0.000 1.010 315 I CA -0.536 60.762 61.300 -0.003 0.000 1.308 315 I CB 1.360 39.351 38.000 -0.014 0.000 1.400 315 I HN -0.244 nan 8.210 nan 0.000 0.488 316 R N 3.910 124.414 120.500 0.005 0.000 2.300 316 R HA 0.309 4.831 4.340 0.303 0.000 0.199 316 R C 0.615 176.927 176.300 0.020 0.000 0.920 316 R CA 0.062 56.171 56.100 0.015 0.000 1.046 316 R CB -0.200 30.109 30.300 0.015 0.000 0.984 316 R HN 0.799 nan 8.270 nan 0.000 0.493 317 A N 1.821 124.652 122.820 0.018 0.000 2.363 317 A HA 0.236 4.738 4.320 0.303 0.000 0.270 317 A C 0.826 178.427 177.584 0.028 0.000 1.121 317 A CA -0.300 51.752 52.037 0.025 0.000 0.800 317 A CB 0.671 19.687 19.000 0.026 0.000 1.052 317 A HN -0.062 nan 8.150 nan 0.000 0.493 318 K N 1.210 121.630 120.400 0.035 0.000 2.426 318 K HA 0.235 4.737 4.320 0.303 0.000 0.193 318 K C -0.306 176.324 176.600 0.050 0.000 1.028 318 K CA 0.803 57.114 56.287 0.039 0.000 1.047 318 K CB 0.036 32.561 32.500 0.042 0.000 0.821 318 K HN 0.705 nan 8.250 nan 0.000 0.513 319 I N 1.074 121.674 120.570 0.050 0.000 2.468 319 I HA 0.132 4.484 4.170 0.303 0.000 0.285 319 I C -1.101 175.048 176.117 0.054 0.000 1.039 319 I CA -0.996 60.343 61.300 0.064 0.000 1.074 319 I CB 2.563 40.605 38.000 0.070 0.000 1.228 319 I HN -0.353 nan 8.210 nan 0.000 0.436 320 V N 7.983 127.928 119.914 0.052 0.000 2.407 320 V HA 0.561 4.863 4.120 0.303 0.000 0.291 320 V C -1.022 175.100 176.094 0.047 0.000 1.018 320 V CA -0.231 62.092 62.300 0.039 0.000 0.842 320 V CB 1.833 33.666 31.823 0.017 0.000 0.996 320 V HN 0.409 nan 8.190 nan 0.000 0.426 321 V N 6.302 126.245 119.914 0.050 0.000 2.370 321 V HA 0.469 4.771 4.120 0.303 0.000 0.283 321 V C 0.181 176.291 176.094 0.026 0.000 1.023 321 V CA -0.509 61.825 62.300 0.056 0.000 0.857 321 V CB 1.574 33.443 31.823 0.076 0.000 0.985 321 V HN 0.961 nan 8.190 nan 0.000 0.443 322 E N 3.363 123.566 120.200 0.004 0.000 1.996 322 E HA 0.382 4.914 4.350 0.303 0.000 0.280 322 E C 0.748 177.325 176.600 -0.038 0.000 1.092 322 E CA -0.062 56.318 56.400 -0.033 0.000 0.862 322 E CB 1.342 30.997 29.700 -0.075 0.000 1.066 322 E HN 0.821 nan 8.360 nan 0.000 0.396 323 A N 3.188 125.994 122.820 -0.023 0.000 2.132 323 A HA 0.262 4.764 4.320 0.303 0.000 0.213 323 A C 1.027 178.581 177.584 -0.050 0.000 1.154 323 A CA 0.394 52.420 52.037 -0.018 0.000 0.753 323 A CB 0.402 19.412 19.000 0.016 0.000 0.826 323 A HN 0.546 nan 8.150 nan 0.000 0.469 324 A N 0.163 122.940 122.820 -0.072 0.000 2.306 324 A HA 0.570 5.072 4.320 0.303 0.000 0.330 324 A C -0.411 177.064 177.584 -0.181 0.000 1.146 324 A CA -0.775 51.202 52.037 -0.099 0.000 0.827 324 A CB 0.104 19.059 19.000 -0.075 0.000 1.178 324 A HN 0.452 nan 8.150 nan 0.000 0.490 325 N N 0.791 119.362 118.700 -0.215 0.000 2.483 325 N HA 0.390 5.312 4.740 0.303 0.000 0.264 325 N C 0.843 176.161 175.510 -0.321 0.000 1.197 325 N CA 1.167 53.969 53.050 -0.414 0.000 0.927 325 N CB 0.452 38.773 38.487 -0.277 0.000 1.065 325 N HN 1.158 nan 8.380 nan 0.000 0.461 326 G N 2.401 110.887 108.800 -0.524 0.000 2.357 326 G HA2 -0.182 3.960 3.960 0.303 0.000 0.282 326 G HA3 -0.182 3.960 3.960 0.303 0.000 0.282 326 G C -1.812 173.040 174.900 -0.080 0.000 0.910 326 G CA -0.476 44.495 45.100 -0.216 0.000 1.267 326 G HN 0.531 nan 8.290 nan 0.000 0.476 327 P HA 0.101 nan 4.420 nan 0.000 0.234 327 P C 1.058 178.334 177.300 -0.039 0.000 1.175 327 P CA 1.559 64.623 63.100 -0.060 0.000 0.801 327 P CB 0.583 32.244 31.700 -0.066 0.000 0.891 328 T N -2.683 111.846 114.554 -0.041 0.000 2.863 328 T HA 0.537 5.069 4.350 0.303 0.000 0.285 328 T C 0.138 174.830 174.700 -0.012 0.000 1.009 328 T CA -0.497 61.586 62.100 -0.029 0.000 0.989 328 T CB 1.453 70.298 68.868 -0.038 0.000 1.004 328 T HN -0.040 nan 8.240 nan 0.000 0.455 329 T N 1.678 116.226 114.554 -0.009 0.000 2.770 329 T HA 0.402 4.934 4.350 0.303 0.000 0.281 329 T C 1.678 176.372 174.700 -0.010 0.000 0.981 329 T CA -0.901 61.201 62.100 0.004 0.000 0.955 329 T CB 0.216 69.086 68.868 0.003 0.000 1.060 329 T HN 0.574 nan 8.240 nan 0.000 0.531 330 L N 0.277 121.496 121.223 -0.006 0.000 1.944 330 L HA -0.130 4.392 4.340 0.303 0.000 0.218 330 L C 3.076 179.927 176.870 -0.032 0.000 1.075 330 L CA 1.940 56.767 54.840 -0.022 0.000 0.767 330 L CB -0.808 41.240 42.059 -0.019 0.000 0.890 330 L HN 0.729 nan 8.230 nan 0.000 0.434 331 E N 0.284 120.468 120.200 -0.026 0.000 2.118 331 E HA -0.174 4.358 4.350 0.303 0.000 0.195 331 E C 2.101 178.667 176.600 -0.058 0.000 0.992 331 E CA 1.194 57.575 56.400 -0.033 0.000 0.804 331 E CB -0.654 29.035 29.700 -0.017 0.000 0.741 331 E HN 0.530 nan 8.360 nan 0.000 0.458 332 G N -0.084 108.684 108.800 -0.054 0.000 2.469 332 G HA2 -0.327 3.815 3.960 0.303 0.000 0.219 332 G HA3 -0.327 3.815 3.960 0.303 0.000 0.219 332 G C 1.712 176.566 174.900 -0.076 0.000 1.150 332 G CA 1.557 46.614 45.100 -0.072 0.000 0.763 332 G HN 0.276 nan 8.290 nan 0.000 0.561 333 T N -0.149 114.371 114.554 -0.057 0.000 2.812 333 T HA -0.001 4.531 4.350 0.303 0.000 0.264 333 T C 2.230 176.895 174.700 -0.058 0.000 1.042 333 T CA 1.383 63.450 62.100 -0.055 0.000 1.140 333 T CB -0.086 68.752 68.868 -0.050 0.000 0.870 333 T HN 0.359 nan 8.240 nan 0.000 0.445 334 K N 0.836 121.202 120.400 -0.056 0.000 2.002 334 K HA -0.044 4.458 4.320 0.303 0.000 0.209 334 K C 2.220 178.786 176.600 -0.058 0.000 1.048 334 K CA 1.267 57.525 56.287 -0.048 0.000 0.930 334 K CB -0.324 32.154 32.500 -0.036 0.000 0.714 334 K HN 0.286 nan 8.250 nan 0.000 0.438 335 I N 1.460 121.975 120.570 -0.092 0.000 2.151 335 I HA -0.344 4.008 4.170 0.303 0.000 0.243 335 I C 2.279 178.320 176.117 -0.126 0.000 1.080 335 I CA 1.290 62.496 61.300 -0.156 0.000 1.339 335 I CB -0.344 37.438 38.000 -0.362 0.000 1.039 335 I HN 0.238 nan 8.210 nan 0.000 0.409 336 L N -0.046 121.113 121.223 -0.107 0.000 2.127 336 L HA -0.229 4.293 4.340 0.303 0.000 0.211 336 L C 2.588 179.434 176.870 -0.040 0.000 1.089 336 L CA 1.225 56.024 54.840 -0.068 0.000 0.757 336 L CB -0.519 41.509 42.059 -0.053 0.000 0.899 336 L HN 0.268 nan 8.230 nan 0.000 0.434 337 S N -0.684 114.992 115.700 -0.041 0.000 2.356 337 S HA -0.123 4.529 4.470 0.303 0.000 0.219 337 S C 1.450 176.040 174.600 -0.017 0.000 1.036 337 S CA 0.795 58.977 58.200 -0.029 0.000 0.965 337 S CB -0.182 62.997 63.200 -0.035 0.000 0.864 337 S HN 0.414 nan 8.310 nan 0.000 0.471 338 D N 2.089 122.480 120.400 -0.015 0.000 2.154 338 D HA -0.183 4.639 4.640 0.303 0.000 0.190 338 D C 1.355 177.664 176.300 0.016 0.000 1.003 338 D CA 1.229 55.232 54.000 0.006 0.000 0.849 338 D CB -0.302 40.512 40.800 0.025 0.000 0.942 338 D HN 0.549 nan 8.370 nan 0.000 0.446 339 R N 0.905 121.414 120.500 0.015 0.000 3.782 339 R HA 0.188 4.710 4.340 0.303 0.000 0.291 339 R C -0.324 175.986 176.300 0.015 0.000 1.539 339 R CA -0.079 56.036 56.100 0.025 0.000 1.345 339 R CB -0.339 29.988 30.300 0.046 0.000 1.408 339 R HN -0.198 nan 8.270 nan 0.000 0.654 340 D N 0.965 121.371 120.400 0.010 0.000 2.737 340 D HA -0.195 4.627 4.640 0.303 0.000 0.233 340 D C -0.752 175.561 176.300 0.021 0.000 1.155 340 D CA 0.773 54.782 54.000 0.014 0.000 0.667 340 D CB -0.735 40.077 40.800 0.020 0.000 1.060 340 D HN 0.620 nan 8.370 nan 0.000 0.427 341 I N 0.244 120.823 120.570 0.014 0.000 2.392 341 I HA 0.244 4.596 4.170 0.303 0.000 0.295 341 I C 0.441 176.575 176.117 0.029 0.000 0.985 341 I CA -1.304 60.009 61.300 0.022 0.000 1.221 341 I CB 1.379 39.384 38.000 0.009 0.000 1.366 341 I HN 0.033 nan 8.210 nan 0.000 0.467 342 L N 7.842 129.098 121.223 0.056 0.000 2.295 342 L HA 0.361 4.883 4.340 0.303 0.000 0.288 342 L C -0.779 176.137 176.870 0.077 0.000 1.079 342 L CA 0.040 54.931 54.840 0.085 0.000 0.830 342 L CB 0.595 42.742 42.059 0.147 0.000 1.200 342 L HN 0.501 nan 8.230 nan 0.000 0.438 343 L N 6.484 127.735 121.223 0.046 0.000 2.276 343 L HA 0.514 5.036 4.340 0.303 0.000 0.286 343 L C -0.870 176.022 176.870 0.036 0.000 1.024 343 L CA -0.404 54.456 54.840 0.033 0.000 0.826 343 L CB 1.272 43.331 42.059 0.000 0.000 1.211 343 L HN 0.393 nan 8.230 nan 0.000 0.422 344 V N 7.549 127.505 119.914 0.071 0.000 2.389 344 V HA 0.319 4.620 4.120 0.303 0.000 0.264 344 V C -1.890 174.222 176.094 0.030 0.000 1.049 344 V CA -1.431 60.913 62.300 0.074 0.000 0.932 344 V CB 0.421 32.357 31.823 0.188 0.000 1.011 344 V HN 0.697 nan 8.190 nan 0.000 0.475 345 P HA 0.132 nan 4.420 nan 0.000 0.272 345 P C 0.392 177.668 177.300 -0.039 0.000 1.223 345 P CA -0.325 62.770 63.100 -0.009 0.000 0.784 345 P CB 0.645 32.365 31.700 0.032 0.000 0.923 346 D N 1.298 121.633 120.400 -0.110 0.000 2.123 346 D HA -0.172 4.650 4.640 0.303 0.000 0.196 346 D C 1.426 177.630 176.300 -0.160 0.000 0.992 346 D CA 1.632 55.523 54.000 -0.182 0.000 0.833 346 D CB -1.570 39.010 40.800 -0.368 0.000 0.954 346 D HN 0.233 nan 8.370 nan 0.000 0.455 347 V N -1.873 117.957 119.914 -0.139 0.000 3.026 347 V HA -0.080 4.222 4.120 0.303 0.000 0.265 347 V C 2.164 178.230 176.094 -0.046 0.000 1.121 347 V CA 1.158 63.403 62.300 -0.092 0.000 1.142 347 V CB -0.891 30.876 31.823 -0.094 0.000 0.730 347 V HN 0.190 nan 8.190 nan 0.000 0.503 348 L N 1.081 122.289 121.223 -0.024 0.000 2.379 348 L HA 0.564 5.086 4.340 0.303 0.000 0.190 348 L C 2.542 179.425 176.870 0.023 0.000 1.111 348 L CA 1.951 56.797 54.840 0.010 0.000 0.820 348 L CB -1.081 40.993 42.059 0.026 0.000 1.046 348 L HN 0.109 nan 8.230 nan 0.000 0.485 349 A N -0.437 122.398 122.820 0.025 0.000 1.978 349 A HA -0.184 4.318 4.320 0.303 0.000 0.220 349 A C 2.224 179.815 177.584 0.011 0.000 1.170 349 A CA 1.990 54.050 52.037 0.039 0.000 0.636 349 A CB -1.096 17.929 19.000 0.041 0.000 0.810 349 A HN 0.665 nan 8.150 nan 0.000 0.448 350 S N -1.165 114.520 115.700 -0.024 0.000 2.605 350 S HA 0.477 5.128 4.470 0.303 0.000 0.217 350 S C 1.233 175.816 174.600 -0.029 0.000 0.958 350 S CA 0.530 58.709 58.200 -0.034 0.000 0.919 350 S CB 0.013 63.168 63.200 -0.074 0.000 0.780 350 S HN 0.781 nan 8.310 nan 0.000 0.507 351 A N 0.885 123.693 122.820 -0.019 0.000 2.302 351 A HA 0.593 5.095 4.320 0.303 0.000 0.219 351 A C 1.852 179.418 177.584 -0.030 0.000 1.243 351 A CA 0.268 52.291 52.037 -0.023 0.000 0.856 351 A CB -0.923 18.067 19.000 -0.017 0.000 0.893 351 A HN 0.584 nan 8.150 nan 0.000 0.491 352 G N -0.001 108.784 108.800 -0.024 0.000 2.448 352 G HA2 0.070 4.212 3.960 0.303 0.000 0.218 352 G HA3 0.070 4.212 3.960 0.303 0.000 0.218 352 G C 1.384 176.245 174.900 -0.065 0.000 1.135 352 G CA 1.048 46.125 45.100 -0.038 0.000 0.784 352 G HN 0.564 nan 8.290 nan 0.000 0.543 353 G N 1.095 109.864 108.800 -0.051 0.000 2.480 353 G HA2 -0.209 3.933 3.960 0.303 0.000 0.216 353 G HA3 -0.209 3.933 3.960 0.303 0.000 0.216 353 G C 1.885 176.745 174.900 -0.067 0.000 1.200 353 G CA 2.113 47.178 45.100 -0.058 0.000 0.782 353 G HN 0.428 nan 8.290 nan 0.000 0.554 354 V N 0.418 120.303 119.914 -0.049 0.000 2.287 354 V HA -0.206 4.096 4.120 0.303 0.000 0.248 354 V C 2.940 179.015 176.094 -0.031 0.000 1.053 354 V CA 2.549 64.839 62.300 -0.016 0.000 1.027 354 V CB -1.701 30.128 31.823 0.011 0.000 0.646 354 V HN 0.363 nan 8.190 nan 0.000 0.447 355 T N 0.872 115.354 114.554 -0.121 0.000 2.665 355 T HA -0.187 4.345 4.350 0.303 0.000 0.268 355 T C 1.955 176.229 174.700 -0.710 0.000 1.035 355 T CA 2.054 63.979 62.100 -0.292 0.000 1.151 355 T CB -0.473 68.246 68.868 -0.248 0.000 0.862 355 T HN 0.358 nan 8.240 nan 0.000 0.438 356 V N 1.106 120.705 119.914 -0.526 0.000 2.453 356 V HA -0.112 4.190 4.120 0.303 0.000 0.247 356 V C 2.713 178.689 176.094 -0.198 0.000 1.048 356 V CA 1.398 63.419 62.300 -0.464 0.000 1.049 356 V CB -0.813 30.928 31.823 -0.137 0.000 0.672 356 V HN 0.410 nan 8.190 nan 0.000 0.457 357 S N -0.619 115.021 115.700 -0.099 0.000 2.365 357 S HA -0.287 4.365 4.470 0.303 0.000 0.225 357 S C 1.910 176.584 174.600 0.123 0.000 1.039 357 S CA 2.343 60.543 58.200 0.001 0.000 1.033 357 S CB -0.488 62.709 63.200 -0.005 0.000 0.887 357 S HN 0.734 nan 8.310 nan 0.000 0.447 358 Y N 1.622 121.949 120.300 0.045 0.000 2.165 358 Y HA -0.180 4.553 4.550 0.305 0.000 0.286 358 Y C 1.766 177.821 175.900 0.258 0.000 1.155 358 Y CA 1.332 59.553 58.100 0.202 0.000 1.164 358 Y CB -0.847 37.612 38.460 -0.002 0.000 0.978 358 Y HN 0.335 nan 8.280 nan 0.000 0.513 359 F N 0.534 120.339 119.950 -0.242 0.000 2.069 359 F HA -0.291 4.418 4.527 0.304 0.000 0.298 359 F C 2.643 178.048 175.800 -0.659 0.000 1.113 359 F CA 1.314 58.937 58.000 -0.629 0.000 1.214 359 F CB -0.599 38.127 39.000 -0.455 0.000 0.978 359 F HN 0.142 nan 8.300 nan 0.000 0.474 360 E N -0.043 120.079 120.200 -0.129 0.000 2.097 360 E HA -0.312 4.219 4.350 0.303 0.000 0.196 360 E C 1.990 178.535 176.600 -0.093 0.000 1.000 360 E CA 1.914 58.244 56.400 -0.117 0.000 0.804 360 E CB -0.425 29.271 29.700 -0.007 0.000 0.740 360 E HN 0.537 nan 8.360 nan 0.000 0.454 361 W N 0.240 121.432 121.300 -0.181 0.000 2.418 361 W HA -0.126 4.717 4.660 0.307 0.000 0.292 361 W C 1.851 178.253 176.519 -0.194 0.000 1.213 361 W CA 1.250 58.533 57.345 -0.103 0.000 1.283 361 W CB -0.218 29.298 29.460 0.094 0.000 1.119 361 W HN -0.082 nan 8.180 nan 0.000 0.542 362 V N 1.117 120.810 119.914 -0.368 0.000 2.295 362 V HA -0.352 3.950 4.120 0.303 0.000 0.246 362 V C 2.290 178.074 176.094 -0.517 0.000 1.049 362 V CA 2.432 64.413 62.300 -0.532 0.000 1.024 362 V CB -1.177 30.369 31.823 -0.462 0.000 0.648 362 V HN 0.243 nan 8.190 nan 0.000 0.447 363 Q N 0.041 119.459 119.800 -0.637 0.000 2.135 363 Q HA -0.205 4.317 4.340 0.303 0.000 0.204 363 Q C 2.173 177.754 176.000 -0.699 0.000 0.981 363 Q CA 1.574 56.915 55.803 -0.770 0.000 0.856 363 Q CB -0.295 27.822 28.738 -1.034 0.000 0.902 363 Q HN 0.636 nan 8.270 nan 0.000 0.425 364 N N 0.656 119.085 118.700 -0.451 0.000 2.142 364 N HA -0.103 4.819 4.740 0.303 0.000 0.186 364 N C 1.373 176.717 175.510 -0.277 0.000 1.023 364 N CA 0.899 53.802 53.050 -0.245 0.000 0.852 364 N CB -0.366 38.052 38.487 -0.115 0.000 0.998 364 N HN 0.250 nan 8.380 nan 0.000 0.424 365 N N 1.355 119.783 118.700 -0.454 0.000 2.149 365 N HA -0.122 4.799 4.740 0.303 0.000 0.188 365 N C 1.574 176.933 175.510 -0.250 0.000 1.019 365 N CA 1.009 53.805 53.050 -0.423 0.000 0.857 365 N CB -0.141 37.956 38.487 -0.650 0.000 0.997 365 N HN 0.530 nan 8.380 nan 0.000 0.426 366 Q N -1.137 118.521 119.800 -0.237 0.000 2.297 366 Q HA 0.194 4.716 4.340 0.303 0.000 0.203 366 Q C 0.750 176.715 176.000 -0.058 0.000 0.931 366 Q CA 0.630 56.358 55.803 -0.125 0.000 0.885 366 Q CB 0.478 29.172 28.738 -0.074 0.000 0.991 366 Q HN 0.382 nan 8.270 nan 0.000 0.498 367 G N 1.321 110.058 108.800 -0.106 0.000 2.149 367 G HA2 -0.283 3.859 3.960 0.303 0.000 0.235 367 G HA3 -0.283 3.859 3.960 0.303 0.000 0.235 367 G C -0.537 174.450 174.900 0.146 0.000 1.018 367 G CA 0.132 45.252 45.100 0.033 0.000 0.728 367 G HN 0.281 nan 8.290 nan 0.000 0.508 368 F N 0.075 119.869 119.950 -0.260 0.000 2.581 368 F HA 0.715 5.423 4.527 0.303 0.000 0.311 368 F C -0.671 174.977 175.800 -0.253 0.000 1.113 368 F CA -1.623 56.337 58.000 -0.067 0.000 0.935 368 F CB 1.301 40.304 39.000 0.006 0.000 1.232 368 F HN 0.054 nan 8.300 nan 0.000 0.445 369 Y N 3.430 123.486 120.300 -0.408 0.000 2.409 369 Y HA 0.435 5.167 4.550 0.303 0.000 0.339 369 Y C -0.837 175.103 175.900 0.066 0.000 1.033 369 Y CA -0.815 57.196 58.100 -0.149 0.000 1.094 369 Y CB 1.209 39.569 38.460 -0.166 0.000 1.210 369 Y HN 0.444 nan 8.280 nan 0.000 0.456 370 W N 1.360 122.685 121.300 0.041 0.000 2.283 370 W HA 0.457 5.298 4.660 0.303 0.000 0.341 370 W C 0.249 176.844 176.519 0.127 0.000 1.206 370 W CA -1.669 55.704 57.345 0.046 0.000 1.294 370 W CB 0.737 30.205 29.460 0.014 0.000 1.154 370 W HN 0.495 nan 8.180 nan 0.000 0.613 371 S N 0.165 116.025 115.700 0.266 0.000 2.632 371 S HA 0.160 4.812 4.470 0.303 0.000 0.267 371 S C 0.870 175.523 174.600 0.088 0.000 1.276 371 S CA -0.436 57.830 58.200 0.110 0.000 0.998 371 S CB 1.226 64.431 63.200 0.008 0.000 0.953 371 S HN 0.552 nan 8.310 nan 0.000 0.547 372 E N 1.050 121.174 120.200 -0.127 0.000 2.085 372 E HA -0.232 4.299 4.350 0.303 0.000 0.194 372 E C 1.570 178.184 176.600 0.024 0.000 0.994 372 E CA 1.622 57.996 56.400 -0.042 0.000 0.801 372 E CB -0.365 29.246 29.700 -0.149 0.000 0.743 372 E HN 0.756 nan 8.360 nan 0.000 0.453 373 E N 1.285 121.476 120.200 -0.015 0.000 2.077 373 E HA -0.166 4.366 4.350 0.303 0.000 0.193 373 E C 1.905 178.502 176.600 -0.005 0.000 0.989 373 E CA 1.162 57.554 56.400 -0.013 0.000 0.800 373 E CB -0.065 29.615 29.700 -0.033 0.000 0.746 373 E HN 0.327 nan 8.360 nan 0.000 0.452 374 E N -0.196 120.001 120.200 -0.005 0.000 2.072 374 E HA -0.123 4.409 4.350 0.303 0.000 0.191 374 E C 2.011 178.623 176.600 0.020 0.000 0.985 374 E CA 0.999 57.356 56.400 -0.072 0.000 0.801 374 E CB 0.076 29.674 29.700 -0.169 0.000 0.750 374 E HN 0.042 nan 8.360 nan 0.000 0.452 375 V N 1.040 121.080 119.914 0.209 0.000 2.307 375 V HA -0.241 4.061 4.120 0.303 0.000 0.245 375 V C 2.309 178.572 176.094 0.282 0.000 1.045 375 V CA 1.967 64.480 62.300 0.354 0.000 1.024 375 V CB -0.411 31.660 31.823 0.413 0.000 0.651 375 V HN 0.211 nan 8.190 nan 0.000 0.449 376 E N 0.663 120.959 120.200 0.160 0.000 2.097 376 E HA -0.283 4.249 4.350 0.303 0.000 0.196 376 E C 2.162 178.811 176.600 0.082 0.000 1.000 376 E CA 2.158 58.616 56.400 0.096 0.000 0.804 376 E CB -0.267 29.451 29.700 0.031 0.000 0.740 376 E HN 0.711 nan 8.360 nan 0.000 0.454 377 E N -0.078 120.150 120.200 0.047 0.000 2.028 377 E HA -0.236 4.296 4.350 0.303 0.000 0.191 377 E C 2.066 178.695 176.600 0.047 0.000 0.988 377 E CA 1.392 57.802 56.400 0.016 0.000 0.799 377 E CB -0.162 29.516 29.700 -0.036 0.000 0.755 377 E HN 0.098 nan 8.360 nan 0.000 0.447 378 K N 0.135 120.556 120.400 0.034 0.000 2.063 378 K HA -0.178 4.324 4.320 0.303 0.000 0.208 378 K C 2.174 178.992 176.600 0.362 0.000 1.048 378 K CA 1.254 57.585 56.287 0.074 0.000 0.928 378 K CB -0.349 31.989 32.500 -0.269 0.000 0.713 378 K HN 0.175 nan 8.250 nan 0.000 0.442 379 L N 1.577 123.101 121.223 0.502 0.000 1.970 379 L HA -0.224 4.298 4.340 0.303 0.000 0.212 379 L C 2.146 179.135 176.870 0.199 0.000 1.071 379 L CA 2.357 57.440 54.840 0.405 0.000 0.751 379 L CB -0.931 41.304 42.059 0.295 0.000 0.889 379 L HN 0.384 nan 8.230 nan 0.000 0.432 380 E N -0.298 119.978 120.200 0.127 0.000 2.058 380 E HA -0.327 4.205 4.350 0.303 0.000 0.194 380 E C 2.326 178.965 176.600 0.066 0.000 0.997 380 E CA 1.895 58.332 56.400 0.061 0.000 0.801 380 E CB -0.332 29.381 29.700 0.021 0.000 0.746 380 E HN 0.565 nan 8.360 nan 0.000 0.450 381 K N -0.184 120.264 120.400 0.080 0.000 2.063 381 K HA -0.189 4.313 4.320 0.303 0.000 0.208 381 K C 2.125 178.777 176.600 0.088 0.000 1.048 381 K CA 1.915 58.242 56.287 0.068 0.000 0.928 381 K CB -0.096 32.439 32.500 0.057 0.000 0.713 381 K HN 0.225 nan 8.250 nan 0.000 0.442 382 M N -0.251 119.427 119.600 0.131 0.000 2.156 382 M HA -0.099 4.563 4.480 0.303 0.000 0.264 382 M C 2.344 178.703 176.300 0.099 0.000 1.067 382 M CA 1.233 56.610 55.300 0.127 0.000 1.131 382 M CB -0.163 32.546 32.600 0.182 0.000 1.368 382 M HN 0.223 nan 8.290 nan 0.000 0.416 383 M N 0.467 120.124 119.600 0.095 0.000 2.059 383 M HA -0.141 4.521 4.480 0.303 0.000 0.259 383 M C 1.954 178.319 176.300 0.108 0.000 1.072 383 M CA 1.794 57.147 55.300 0.088 0.000 1.117 383 M CB -0.486 32.155 32.600 0.067 0.000 1.320 383 M HN 0.012 nan 8.290 nan 0.000 0.408 384 V N 0.593 120.550 119.914 0.072 0.000 2.278 384 V HA -0.370 3.932 4.120 0.303 0.000 0.251 384 V C 2.435 178.595 176.094 0.110 0.000 1.062 384 V CA 2.450 64.785 62.300 0.058 0.000 1.038 384 V CB -0.989 30.838 31.823 0.008 0.000 0.646 384 V HN 0.615 nan 8.190 nan 0.000 0.447 385 K N -0.338 120.116 120.400 0.091 0.000 2.103 385 K HA -0.179 4.323 4.320 0.303 0.000 0.207 385 K C 2.262 178.926 176.600 0.107 0.000 1.048 385 K CA 1.889 58.229 56.287 0.089 0.000 0.930 385 K CB -0.180 32.362 32.500 0.071 0.000 0.716 385 K HN 0.463 nan 8.250 nan 0.000 0.444 386 S N 0.171 115.939 115.700 0.115 0.000 2.371 386 S HA -0.070 4.582 4.470 0.303 0.000 0.224 386 S C 1.443 176.126 174.600 0.138 0.000 1.029 386 S CA 0.914 59.176 58.200 0.103 0.000 0.978 386 S CB -0.362 62.887 63.200 0.081 0.000 0.833 386 S HN 0.424 nan 8.310 nan 0.000 0.466 387 F N 3.291 123.266 119.950 0.040 0.000 2.126 387 F HA -0.189 4.521 4.527 0.305 0.000 0.299 387 F C 1.985 177.838 175.800 0.087 0.000 1.096 387 F CA 1.376 59.409 58.000 0.056 0.000 1.255 387 F CB -0.259 38.756 39.000 0.025 0.000 0.997 387 F HN 0.133 nan 8.300 nan 0.000 0.479 388 N N 0.832 119.757 118.700 0.376 0.000 2.142 388 N HA -0.176 4.745 4.740 0.303 0.000 0.186 388 N C 1.425 177.031 175.510 0.160 0.000 1.023 388 N CA 1.305 54.523 53.050 0.280 0.000 0.852 388 N CB -0.790 37.815 38.487 0.195 0.000 0.998 388 N HN 0.329 nan 8.380 nan 0.000 0.424 389 N N 1.042 119.806 118.700 0.107 0.000 2.149 389 N HA -0.060 4.861 4.740 0.303 0.000 0.188 389 N C 1.835 177.366 175.510 0.035 0.000 1.019 389 N CA 0.677 53.766 53.050 0.065 0.000 0.857 389 N CB -0.197 38.321 38.487 0.052 0.000 0.997 389 N HN 0.361 nan 8.380 nan 0.000 0.426 390 I N -0.739 119.830 120.570 -0.001 0.000 2.277 390 I HA -0.228 4.124 4.170 0.303 0.000 0.243 390 I C 2.122 178.185 176.117 -0.090 0.000 1.094 390 I CA 0.704 61.969 61.300 -0.058 0.000 1.393 390 I CB -0.386 37.547 38.000 -0.112 0.000 1.078 390 I HN 0.029 nan 8.210 nan 0.000 0.417 391 Y N 1.947 122.084 120.300 -0.272 0.000 2.207 391 Y HA -0.281 4.451 4.550 0.304 0.000 0.287 391 Y C 2.454 178.309 175.900 -0.076 0.000 1.156 391 Y CA 1.878 59.836 58.100 -0.237 0.000 1.182 391 Y CB -0.029 38.275 38.460 -0.259 0.000 0.979 391 Y HN 0.147 nan 8.280 nan 0.000 0.521 392 E N -0.421 119.865 120.200 0.143 0.000 2.046 392 E HA -0.216 4.315 4.350 0.303 0.000 0.190 392 E C 2.252 178.848 176.600 -0.006 0.000 0.982 392 E CA 1.277 57.731 56.400 0.091 0.000 0.800 392 E CB -0.197 29.575 29.700 0.120 0.000 0.756 392 E HN 0.485 nan 8.360 nan 0.000 0.449 393 M N 0.036 119.629 119.600 -0.012 0.000 2.296 393 M HA -0.070 4.592 4.480 0.303 0.000 0.265 393 M C 2.056 178.321 176.300 -0.058 0.000 1.064 393 M CA 1.055 56.341 55.300 -0.023 0.000 1.109 393 M CB 0.066 32.663 32.600 -0.006 0.000 1.396 393 M HN 0.151 nan 8.290 nan 0.000 0.430 394 A N 0.474 123.230 122.820 -0.107 0.000 1.969 394 A HA -0.154 4.348 4.320 0.303 0.000 0.218 394 A C 1.705 179.192 177.584 -0.162 0.000 1.169 394 A CA 1.657 53.608 52.037 -0.144 0.000 0.635 394 A CB -0.674 18.199 19.000 -0.211 0.000 0.810 394 A HN 0.498 nan 8.150 nan 0.000 0.445 395 N N 1.008 119.594 118.700 -0.190 0.000 2.022 395 N HA -0.135 4.787 4.740 0.303 0.000 0.195 395 N C 1.351 176.815 175.510 -0.077 0.000 1.063 395 N CA 1.574 54.535 53.050 -0.149 0.000 0.851 395 N CB -0.585 37.830 38.487 -0.119 0.000 1.050 395 N HN 0.445 nan 8.380 nan 0.000 0.425 396 N N 0.812 119.483 118.700 -0.048 0.000 2.322 396 N HA -0.166 4.756 4.740 0.303 0.000 0.189 396 N C 1.000 176.493 175.510 -0.029 0.000 1.012 396 N CA 0.845 53.880 53.050 -0.026 0.000 0.880 396 N CB -0.067 38.413 38.487 -0.012 0.000 0.967 396 N HN 0.273 nan 8.380 nan 0.000 0.439 397 R N 0.216 120.693 120.500 -0.039 0.000 2.397 397 R HA 0.218 4.740 4.340 0.303 0.000 0.241 397 R C -0.005 176.273 176.300 -0.037 0.000 0.914 397 R CA -0.218 55.862 56.100 -0.033 0.000 1.071 397 R CB 0.431 30.713 30.300 -0.029 0.000 1.116 397 R HN 0.114 nan 8.270 nan 0.000 0.524 398 R N 0.786 121.257 120.500 -0.047 0.000 3.422 398 R HA -0.157 4.365 4.340 0.303 0.000 0.267 398 R C -0.096 176.174 176.300 -0.048 0.000 1.074 398 R CA 0.954 57.026 56.100 -0.047 0.000 0.718 398 R CB -2.283 27.997 30.300 -0.033 0.000 1.157 398 R HN 0.400 nan 8.270 nan 0.000 0.440 399 I N -3.824 116.710 120.570 -0.061 0.000 3.145 399 I HA 0.551 4.902 4.170 0.303 0.000 0.313 399 I C 0.182 176.253 176.117 -0.076 0.000 1.122 399 I CA -1.430 59.836 61.300 -0.057 0.000 0.987 399 I CB 1.817 39.790 38.000 -0.044 0.000 1.236 399 I HN -0.024 nan 8.210 nan 0.000 0.453 400 D N 3.306 123.666 120.400 -0.067 0.000 2.383 400 D HA 0.132 4.953 4.640 0.303 0.000 0.248 400 D C 0.854 177.110 176.300 -0.074 0.000 1.170 400 D CA -0.529 53.427 54.000 -0.074 0.000 0.977 400 D CB 1.178 41.941 40.800 -0.060 0.000 1.120 400 D HN 0.586 nan 8.370 nan 0.000 0.481 401 M N -0.034 119.519 119.600 -0.078 0.000 2.080 401 M HA -0.147 4.515 4.480 0.303 0.000 0.260 401 M C 2.073 178.363 176.300 -0.017 0.000 1.068 401 M CA 1.280 56.536 55.300 -0.073 0.000 1.109 401 M CB -0.835 31.720 32.600 -0.074 0.000 1.342 401 M HN 0.426 nan 8.290 nan 0.000 0.405 402 R N 0.571 121.063 120.500 -0.013 0.000 2.171 402 R HA -0.209 4.313 4.340 0.303 0.000 0.232 402 R C 2.224 178.543 176.300 0.033 0.000 1.116 402 R CA 1.710 57.815 56.100 0.009 0.000 0.901 402 R CB -1.495 28.752 30.300 -0.087 0.000 0.850 402 R HN 0.296 nan 8.270 nan 0.000 0.431 403 L N 0.785 121.982 121.223 -0.045 0.000 2.081 403 L HA -0.152 4.369 4.340 0.303 0.000 0.212 403 L C 2.295 179.201 176.870 0.060 0.000 1.080 403 L CA 2.166 56.994 54.840 -0.019 0.000 0.754 403 L CB -0.890 41.146 42.059 -0.040 0.000 0.893 403 L HN 0.288 nan 8.230 nan 0.000 0.433 404 A N -0.759 122.078 122.820 0.030 0.000 1.855 404 A HA -0.079 4.423 4.320 0.303 0.000 0.215 404 A C 2.467 180.089 177.584 0.064 0.000 1.191 404 A CA 1.877 53.928 52.037 0.024 0.000 0.613 404 A CB -1.221 17.759 19.000 -0.034 0.000 0.829 404 A HN 0.534 nan 8.150 nan 0.000 0.442 405 A N -1.394 121.477 122.820 0.084 0.000 1.883 405 A HA -0.145 4.357 4.320 0.303 0.000 0.217 405 A C 2.100 179.768 177.584 0.138 0.000 1.186 405 A CA 1.776 53.869 52.037 0.094 0.000 0.624 405 A CB -0.948 18.112 19.000 0.099 0.000 0.822 405 A HN 0.568 nan 8.150 nan 0.000 0.444 406 Y N -0.312 120.007 120.300 0.032 0.000 2.207 406 Y HA -0.227 4.500 4.550 0.295 0.000 0.287 406 Y C 2.610 178.539 175.900 0.048 0.000 1.156 406 Y CA 1.884 60.018 58.100 0.056 0.000 1.182 406 Y CB -0.472 38.032 38.460 0.073 0.000 0.979 406 Y HN 0.260 nan 8.280 nan 0.000 0.521 407 M N -1.522 118.194 119.600 0.192 0.000 2.175 407 M HA -0.192 4.470 4.480 0.303 0.000 0.264 407 M C 1.980 178.332 176.300 0.087 0.000 1.063 407 M CA 1.208 56.584 55.300 0.126 0.000 1.119 407 M CB -0.468 32.190 32.600 0.096 0.000 1.377 407 M HN 0.053 nan 8.290 nan 0.000 0.415 408 V N -0.130 119.822 119.914 0.065 0.000 2.323 408 V HA -0.124 4.178 4.120 0.303 0.000 0.244 408 V C 2.440 178.546 176.094 0.020 0.000 1.041 408 V CA 2.076 64.399 62.300 0.039 0.000 1.025 408 V CB -1.492 30.347 31.823 0.026 0.000 0.656 408 V HN 0.605 nan 8.190 nan 0.000 0.451 409 G N -1.270 107.530 108.800 -0.001 0.000 2.744 409 G HA2 -0.045 4.097 3.960 0.303 0.000 0.211 409 G HA3 -0.045 4.097 3.960 0.303 0.000 0.211 409 G C 1.373 176.246 174.900 -0.044 0.000 1.143 409 G CA 0.930 46.005 45.100 -0.041 0.000 0.788 409 G HN 0.376 nan 8.290 nan 0.000 0.534 410 V N -0.472 119.434 119.914 -0.014 0.000 3.621 410 V HA 0.239 4.541 4.120 0.303 0.000 0.263 410 V C 2.428 178.509 176.094 -0.021 0.000 1.272 410 V CA 0.525 62.812 62.300 -0.023 0.000 1.080 410 V CB -0.015 31.811 31.823 0.004 0.000 0.816 410 V HN 0.366 nan 8.190 nan 0.000 0.451 411 R N 0.642 121.158 120.500 0.027 0.000 2.115 411 R HA -0.247 4.275 4.340 0.303 0.000 0.239 411 R C 2.259 178.584 176.300 0.041 0.000 1.133 411 R CA 2.456 58.596 56.100 0.068 0.000 0.935 411 R CB -0.258 30.088 30.300 0.076 0.000 0.853 411 R HN 0.441 nan 8.270 nan 0.000 0.433 412 K N 0.017 120.428 120.400 0.017 0.000 2.026 412 K HA -0.169 4.333 4.320 0.303 0.000 0.208 412 K C 2.224 178.814 176.600 -0.017 0.000 1.048 412 K CA 1.908 58.201 56.287 0.010 0.000 0.929 412 K CB -0.198 32.295 32.500 -0.012 0.000 0.713 412 K HN 0.244 nan 8.250 nan 0.000 0.439 413 M N 0.379 119.953 119.600 -0.043 0.000 2.108 413 M HA -0.194 4.468 4.480 0.303 0.000 0.261 413 M C 2.071 178.311 176.300 -0.101 0.000 1.066 413 M CA 1.754 57.015 55.300 -0.065 0.000 1.107 413 M CB -0.045 32.523 32.600 -0.053 0.000 1.356 413 M HN 0.211 nan 8.290 nan 0.000 0.406 414 A N -0.216 122.516 122.820 -0.146 0.000 1.898 414 A HA -0.127 4.375 4.320 0.303 0.000 0.216 414 A C 1.940 179.439 177.584 -0.142 0.000 1.181 414 A CA 1.493 53.367 52.037 -0.272 0.000 0.620 414 A CB -0.593 18.011 19.000 -0.661 0.000 0.819 414 A HN 0.495 nan 8.150 nan 0.000 0.442 415 E N 0.003 120.193 120.200 -0.015 0.000 2.072 415 E HA -0.078 4.454 4.350 0.303 0.000 0.191 415 E C 2.348 179.018 176.600 0.115 0.000 0.985 415 E CA 1.242 57.686 56.400 0.074 0.000 0.801 415 E CB -0.566 29.240 29.700 0.176 0.000 0.750 415 E HN 0.541 nan 8.360 nan 0.000 0.452 416 A N 0.788 123.642 122.820 0.057 0.000 1.898 416 A HA -0.107 4.395 4.320 0.303 0.000 0.216 416 A C 2.467 179.916 177.584 -0.225 0.000 1.181 416 A CA 1.602 53.635 52.037 -0.008 0.000 0.620 416 A CB -0.442 18.496 19.000 -0.102 0.000 0.819 416 A HN 0.160 nan 8.150 nan 0.000 0.442 417 S N -0.987 114.535 115.700 -0.295 0.000 2.419 417 S HA -0.129 4.523 4.470 0.303 0.000 0.233 417 S C 2.064 176.501 174.600 -0.272 0.000 1.016 417 S CA 1.244 59.181 58.200 -0.439 0.000 0.974 417 S CB -0.262 62.855 63.200 -0.139 0.000 0.786 417 S HN 0.617 nan 8.310 nan 0.000 0.492 418 R N -0.241 120.167 120.500 -0.155 0.000 2.062 418 R HA 0.020 4.542 4.340 0.303 0.000 0.226 418 R C 1.785 177.999 176.300 -0.143 0.000 1.125 418 R CA 1.014 57.036 56.100 -0.130 0.000 0.966 418 R CB -0.306 29.900 30.300 -0.157 0.000 0.861 418 R HN 0.339 nan 8.270 nan 0.000 0.433 419 F N 1.013 120.889 119.950 -0.123 0.000 2.126 419 F HA -0.128 4.581 4.527 0.304 0.000 0.299 419 F C 2.192 177.913 175.800 -0.132 0.000 1.096 419 F CA 1.536 59.472 58.000 -0.106 0.000 1.255 419 F CB -0.050 38.886 39.000 -0.107 0.000 0.997 419 F HN -0.040 nan 8.300 nan 0.000 0.479 420 R N -0.458 119.996 120.500 -0.076 0.000 2.313 420 R HA 0.197 4.719 4.340 0.303 0.000 0.199 420 R C 1.423 177.692 176.300 -0.052 0.000 0.958 420 R CA 0.650 56.645 56.100 -0.175 0.000 1.047 420 R CB -0.299 29.676 30.300 -0.541 0.000 0.955 420 R HN 0.385 nan 8.270 nan 0.000 0.481 421 G N 0.009 108.808 108.800 -0.002 0.000 2.141 421 G HA2 -0.191 3.951 3.960 0.303 0.000 0.242 421 G HA3 -0.191 3.951 3.960 0.303 0.000 0.242 421 G C 0.317 175.399 174.900 0.303 0.000 0.982 421 G CA 0.029 45.213 45.100 0.140 0.000 0.662 421 G HN 0.306 nan 8.290 nan 0.000 0.527 422 W N 0.403 121.717 121.300 0.024 0.000 2.476 422 W HA 0.448 5.286 4.660 0.297 0.000 0.281 422 W C 1.735 178.257 176.519 0.005 0.000 1.230 422 W CA 0.952 58.304 57.345 0.013 0.000 1.287 422 W CB -0.466 28.999 29.460 0.009 0.000 1.108 422 W HN 0.608 nan 8.180 nan 0.000 0.567 423 I N 0.000 120.695 120.570 0.208 0.000 2.984 423 I HA 0.000 4.352 4.170 0.303 0.000 0.288 423 I CA 0.000 61.369 61.300 0.115 0.000 1.566 423 I CB 0.000 38.057 38.000 0.095 0.000 1.214 423 I HN 0.000 nan 8.210 nan 0.000 0.494