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 1wyv_1_E DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.145 176.300 -0.258 0.000 1.140 1 M CA 0.000 55.187 55.300 -0.188 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.158 0.000 1.302 2 D N -0.750 119.438 120.400 -0.355 0.000 2.665 2 D HA 0.339 4.979 4.640 0.000 0.000 0.287 2 D C -0.844 175.134 176.300 -0.537 0.000 1.266 2 D CA -0.522 53.241 54.000 -0.395 0.000 0.830 2 D CB 0.929 41.652 40.800 -0.127 0.000 1.356 2 D HN 0.266 nan 8.370 nan 0.000 0.437 3 Y N -0.457 119.857 120.300 0.023 0.000 2.636 3 Y HA 0.263 4.813 4.550 0.000 0.000 0.260 3 Y C 1.032 176.963 175.900 0.053 0.000 1.177 3 Y CA -0.483 57.635 58.100 0.031 0.000 1.209 3 Y CB 0.893 39.368 38.460 0.025 0.000 1.166 3 Y HN 0.181 nan 8.280 nan 0.000 0.531 4 T N 4.327 118.969 114.554 0.147 0.000 2.851 4 T HA 0.077 4.427 4.350 0.000 0.000 0.298 4 T C -1.082 173.723 174.700 0.175 0.000 0.977 4 T CA -0.973 61.242 62.100 0.192 0.000 1.126 4 T CB 0.890 69.845 68.868 0.146 0.000 0.916 4 T HN 0.222 nan 8.240 nan 0.000 0.529 5 P HA 0.065 nan 4.420 nan 0.000 0.239 5 P C -0.214 177.088 177.300 0.004 0.000 1.188 5 P CA 0.149 63.270 63.100 0.034 0.000 0.794 5 P CB 0.123 31.785 31.700 -0.063 0.000 0.937 6 H N 1.559 120.641 119.070 0.020 0.000 3.125 6 H HA 0.152 4.708 4.556 0.000 0.000 0.310 6 H C 1.148 176.484 175.328 0.012 0.000 0.980 6 H CA 0.609 56.667 56.048 0.016 0.000 1.422 6 H CB -0.240 29.534 29.762 0.019 0.000 1.432 6 H HN 0.118 nan 8.280 nan 0.000 0.577 7 T N -0.786 113.825 114.554 0.094 0.000 2.927 7 T HA 0.119 4.469 4.350 0.000 0.000 0.281 7 T C 1.359 176.099 174.700 0.066 0.000 0.998 7 T CA -0.941 61.195 62.100 0.060 0.000 1.019 7 T CB 1.661 70.547 68.868 0.029 0.000 1.061 7 T HN 0.785 nan 8.240 nan 0.000 0.518 8 E N 0.168 120.395 120.200 0.045 0.000 2.097 8 E HA -0.262 4.088 4.350 0.000 0.000 0.196 8 E C 1.808 178.430 176.600 0.036 0.000 1.000 8 E CA 1.646 58.068 56.400 0.038 0.000 0.804 8 E CB -0.053 29.662 29.700 0.025 0.000 0.740 8 E HN 0.829 nan 8.360 nan 0.000 0.454 9 E N 0.602 120.820 120.200 0.030 0.000 2.072 9 E HA -0.185 4.165 4.350 0.000 0.000 0.191 9 E C 1.762 178.380 176.600 0.030 0.000 0.985 9 E CA 1.604 58.018 56.400 0.025 0.000 0.801 9 E CB 0.059 29.770 29.700 0.017 0.000 0.750 9 E HN 0.347 nan 8.360 nan 0.000 0.452 10 E N -0.075 120.149 120.200 0.039 0.000 2.072 10 E HA -0.158 4.192 4.350 0.000 0.000 0.191 10 E C 2.211 178.855 176.600 0.074 0.000 0.985 10 E CA 1.196 57.624 56.400 0.047 0.000 0.801 10 E CB -0.154 29.569 29.700 0.038 0.000 0.750 10 E HN 0.361 nan 8.360 nan 0.000 0.452 11 I N 0.848 121.471 120.570 0.089 0.000 2.179 11 I HA -0.281 3.889 4.170 0.000 0.000 0.242 11 I C 2.773 178.918 176.117 0.046 0.000 1.088 11 I CA 1.043 62.391 61.300 0.080 0.000 1.357 11 I CB -0.248 37.788 38.000 0.061 0.000 1.051 11 I HN 0.044 nan 8.210 nan 0.000 0.409 12 R N 0.976 121.498 120.500 0.036 0.000 2.083 12 R HA -0.249 4.091 4.340 0.000 0.000 0.237 12 R C 2.261 178.574 176.300 0.022 0.000 1.137 12 R CA 2.042 58.157 56.100 0.025 0.000 0.951 12 R CB -0.214 30.098 30.300 0.021 0.000 0.851 12 R HN 0.359 nan 8.270 nan 0.000 0.434 13 E N 0.033 120.248 120.200 0.024 0.000 2.051 13 E HA -0.228 4.122 4.350 0.000 0.000 0.192 13 E C 2.073 178.685 176.600 0.020 0.000 0.991 13 E CA 1.781 58.192 56.400 0.019 0.000 0.799 13 E CB -0.031 29.680 29.700 0.019 0.000 0.748 13 E HN 0.367 nan 8.360 nan 0.000 0.449 14 M N 0.198 119.817 119.600 0.032 0.000 2.159 14 M HA -0.163 4.317 4.480 0.000 0.000 0.263 14 M C 2.315 178.625 176.300 0.018 0.000 1.063 14 M CA 1.133 56.452 55.300 0.032 0.000 1.110 14 M CB -0.137 32.500 32.600 0.061 0.000 1.374 14 M HN 0.184 nan 8.290 nan 0.000 0.411 15 L N -0.525 120.708 121.223 0.017 0.000 2.083 15 L HA -0.213 4.127 4.340 0.000 0.000 0.209 15 L C 2.712 179.583 176.870 0.002 0.000 1.083 15 L CA 1.271 56.115 54.840 0.006 0.000 0.752 15 L CB -0.547 41.518 42.059 0.010 0.000 0.899 15 L HN 0.315 nan 8.230 nan 0.000 0.433 16 R N 0.184 120.687 120.500 0.005 0.000 2.066 16 R HA -0.211 4.129 4.340 0.000 0.000 0.232 16 R C 2.439 178.737 176.300 -0.002 0.000 1.131 16 R CA 1.368 57.469 56.100 0.002 0.000 0.955 16 R CB -0.101 30.202 30.300 0.004 0.000 0.851 16 R HN 0.036 nan 8.270 nan 0.000 0.432 17 R N 0.477 120.976 120.500 -0.001 0.000 2.152 17 R HA -0.082 4.258 4.340 0.000 0.000 0.232 17 R C 1.841 178.135 176.300 -0.010 0.000 1.117 17 R CA 1.776 57.874 56.100 -0.004 0.000 0.981 17 R CB -0.304 29.996 30.300 -0.000 0.000 0.870 17 R HN 0.349 nan 8.270 nan 0.000 0.451 18 V N -3.618 116.288 119.914 -0.014 0.000 3.647 18 V HA 0.425 4.545 4.120 0.000 0.000 0.279 18 V C 1.050 177.125 176.094 -0.031 0.000 1.314 18 V CA 0.469 62.754 62.300 -0.025 0.000 1.125 18 V CB -0.072 31.732 31.823 -0.031 0.000 0.907 18 V HN 0.349 nan 8.190 nan 0.000 0.434 19 G N -0.047 108.740 108.800 -0.022 0.000 2.149 19 G HA2 0.033 3.993 3.960 0.000 0.000 0.235 19 G HA3 0.033 3.993 3.960 0.000 0.000 0.235 19 G C 0.150 175.038 174.900 -0.021 0.000 1.018 19 G CA 0.232 45.319 45.100 -0.022 0.000 0.728 19 G HN 1.689 nan 8.290 nan 0.000 0.508 20 A N -0.630 122.180 122.820 -0.017 0.000 2.317 20 A HA 0.953 5.273 4.320 0.000 0.000 0.327 20 A C 1.122 178.707 177.584 0.001 0.000 1.178 20 A CA 0.513 52.543 52.037 -0.011 0.000 0.817 20 A CB 1.458 20.447 19.000 -0.019 0.000 1.189 20 A HN 1.645 nan 8.150 nan 0.000 0.489 21 A N 1.454 124.280 122.820 0.009 0.000 2.072 21 A HA 0.440 4.760 4.320 0.000 0.000 0.216 21 A C 1.064 178.659 177.584 0.019 0.000 1.156 21 A CA 1.454 53.498 52.037 0.013 0.000 0.701 21 A CB -0.409 18.601 19.000 0.015 0.000 0.816 21 A HN 2.012 nan 8.150 nan 0.000 0.458 22 S N -3.313 112.402 115.700 0.026 0.000 2.636 22 S HA 0.460 4.930 4.470 0.000 0.000 0.266 22 S C 0.399 175.029 174.600 0.050 0.000 1.147 22 S CA -0.314 57.907 58.200 0.034 0.000 0.815 22 S CB -0.049 63.174 63.200 0.037 0.000 1.119 22 S HN 0.044 nan 8.310 nan 0.000 0.470 23 L N 1.321 122.581 121.223 0.062 0.000 2.012 23 L HA -0.126 4.214 4.340 0.000 0.000 0.210 23 L C 2.888 179.880 176.870 0.203 0.000 1.073 23 L CA 2.319 57.221 54.840 0.103 0.000 0.748 23 L CB -0.810 41.305 42.059 0.093 0.000 0.891 23 L HN 0.999 nan 8.230 nan 0.000 0.431 24 E N -0.098 120.204 120.200 0.169 0.000 2.204 24 E HA -0.296 4.054 4.350 0.000 0.000 0.195 24 E C 1.405 178.144 176.600 0.230 0.000 0.990 24 E CA 1.607 58.136 56.400 0.215 0.000 0.821 24 E CB -0.354 29.403 29.700 0.095 0.000 0.750 24 E HN 0.411 nan 8.360 nan 0.000 0.477 25 D N 0.534 121.014 120.400 0.134 0.000 2.348 25 D HA -0.041 4.600 4.640 0.000 0.000 0.216 25 D C 1.734 178.075 176.300 0.068 0.000 0.970 25 D CA 0.484 54.539 54.000 0.092 0.000 0.889 25 D CB 0.029 40.859 40.800 0.050 0.000 0.912 25 D HN 0.250 nan 8.370 nan 0.000 0.524 26 L N -0.881 120.356 121.223 0.023 0.000 2.291 26 L HA -0.014 4.326 4.340 0.000 0.000 0.214 26 L C 0.865 177.541 176.870 -0.324 0.000 1.120 26 L CA 0.491 55.208 54.840 -0.205 0.000 0.799 26 L CB -0.128 41.688 42.059 -0.404 0.000 0.925 26 L HN 0.065 nan 8.230 nan 0.000 0.446 27 F N -1.201 118.788 119.950 0.065 0.000 2.639 27 F HA 0.306 4.833 4.527 0.000 0.000 0.302 27 F C 2.056 177.828 175.800 -0.046 0.000 1.097 27 F CA 0.086 58.069 58.000 -0.029 0.000 1.294 27 F CB -0.545 38.418 39.000 -0.061 0.000 1.027 27 F HN -0.105 nan 8.300 nan 0.000 0.550 28 A N 0.577 123.513 122.820 0.194 0.000 1.986 28 A HA -0.241 4.079 4.320 0.000 0.000 0.220 28 A C 2.063 179.728 177.584 0.134 0.000 1.171 28 A CA 2.126 54.251 52.037 0.146 0.000 0.640 28 A CB -1.053 18.022 19.000 0.126 0.000 0.811 28 A HN 0.593 nan 8.150 nan 0.000 0.451 29 H N -1.703 117.385 119.070 0.030 0.000 2.551 29 H HA 0.277 4.833 4.556 0.000 0.000 0.266 29 H C 0.117 175.465 175.328 0.034 0.000 0.977 29 H CA -0.184 55.876 56.048 0.020 0.000 1.163 29 H CB -0.743 29.018 29.762 -0.001 0.000 1.381 29 H HN 0.286 nan 8.280 nan 0.000 0.581 30 L N 3.379 124.438 121.223 -0.272 0.000 2.453 30 L HA 0.218 4.558 4.340 0.000 0.000 0.261 30 L C -1.736 175.103 176.870 -0.051 0.000 1.179 30 L CA -1.781 52.955 54.840 -0.173 0.000 0.813 30 L CB 0.341 42.325 42.059 -0.126 0.000 1.110 30 L HN 0.085 nan 8.230 nan 0.000 0.466 31 P HA 0.018 nan 4.420 nan 0.000 0.267 31 P C -0.064 177.229 177.300 -0.011 0.000 1.209 31 P CA -0.344 62.750 63.100 -0.011 0.000 0.763 31 P CB 0.367 32.062 31.700 -0.009 0.000 0.816 32 K N 3.055 123.453 120.400 -0.003 0.000 2.286 32 K HA -0.210 4.110 4.320 0.000 0.000 0.203 32 K C 0.764 177.358 176.600 -0.010 0.000 1.045 32 K CA 1.648 57.933 56.287 -0.004 0.000 0.935 32 K CB -0.256 32.245 32.500 0.002 0.000 0.737 32 K HN 0.222 nan 8.250 nan 0.000 0.460 33 E N 1.406 121.600 120.200 -0.010 0.000 2.153 33 E HA -0.125 4.225 4.350 0.000 0.000 0.194 33 E C 1.923 178.512 176.600 -0.018 0.000 0.988 33 E CA 1.616 58.008 56.400 -0.012 0.000 0.811 33 E CB -0.264 29.431 29.700 -0.010 0.000 0.746 33 E HN 0.749 nan 8.360 nan 0.000 0.466 34 I N -2.586 117.971 120.570 -0.022 0.000 4.018 34 I HA 0.201 4.371 4.170 0.000 0.000 0.337 34 I C 0.101 176.192 176.117 -0.043 0.000 1.327 34 I CA -0.297 60.985 61.300 -0.030 0.000 1.100 34 I CB 0.258 38.241 38.000 -0.028 0.000 1.025 34 I HN -0.133 nan 8.210 nan 0.000 0.396 35 L N 2.430 123.628 121.223 -0.042 0.000 2.436 35 L HA 0.168 4.508 4.340 0.000 0.000 0.265 35 L C 1.087 177.918 176.870 -0.064 0.000 1.168 35 L CA 0.267 55.071 54.840 -0.061 0.000 0.815 35 L CB 1.026 43.059 42.059 -0.043 0.000 1.109 35 L HN 0.646 nan 8.230 nan 0.000 0.462 36 S N 0.608 116.254 115.700 -0.090 0.000 3.711 36 S HA -0.081 4.389 4.470 0.000 0.000 0.374 36 S C -1.655 172.907 174.600 -0.063 0.000 0.969 36 S CA -0.348 57.805 58.200 -0.079 0.000 1.198 36 S CB -2.170 60.996 63.200 -0.058 0.000 0.903 36 S HN 0.617 nan 8.310 nan 0.000 0.493 37 P HA 0.382 nan 4.420 nan 0.000 0.274 37 P C -2.415 174.856 177.300 -0.048 0.000 1.231 37 P CA -1.325 61.744 63.100 -0.051 0.000 0.790 37 P CB 0.074 31.743 31.700 -0.052 0.000 0.951 38 P HA 0.314 nan 4.420 nan 0.000 0.238 38 P C -0.167 177.114 177.300 -0.033 0.000 1.794 38 P CA -0.125 62.954 63.100 -0.034 0.000 1.088 38 P CB -0.207 31.476 31.700 -0.027 0.000 1.923 39 I N 1.897 122.444 120.570 -0.038 0.000 2.496 39 I HA 0.111 4.281 4.170 0.000 0.000 0.285 39 I C 0.310 176.408 176.117 -0.032 0.000 1.080 39 I CA 0.011 61.290 61.300 -0.035 0.000 1.404 39 I CB 0.443 38.418 38.000 -0.042 0.000 1.403 39 I HN 0.039 nan 8.210 nan 0.000 0.539 40 D N 7.801 128.185 120.400 -0.027 0.000 2.412 40 D HA 0.588 5.228 4.640 0.000 0.000 0.224 40 D C -0.654 175.631 176.300 -0.024 0.000 1.093 40 D CA 0.033 54.018 54.000 -0.025 0.000 0.850 40 D CB 0.894 41.681 40.800 -0.021 0.000 1.046 40 D HN 0.247 nan 8.370 nan 0.000 0.507 41 L N 3.133 124.340 121.223 -0.026 0.000 2.409 41 L HA 0.526 4.866 4.340 0.000 0.000 0.262 41 L C -1.997 174.856 176.870 -0.029 0.000 0.992 41 L CA -1.881 52.943 54.840 -0.027 0.000 0.817 41 L CB 2.028 44.070 42.059 -0.028 0.000 1.350 41 L HN 0.192 nan 8.230 nan 0.000 0.411 42 P HA 0.100 nan 4.420 nan 0.000 0.269 42 P C -0.792 176.484 177.300 -0.039 0.000 1.215 42 P CA -0.424 62.656 63.100 -0.033 0.000 0.780 42 P CB 0.516 32.195 31.700 -0.035 0.000 0.898 43 E N 2.418 122.593 120.200 -0.041 0.000 2.413 43 E HA 0.080 4.431 4.350 0.000 0.000 0.263 43 E C -1.652 174.912 176.600 -0.060 0.000 1.015 43 E CA -1.165 55.208 56.400 -0.046 0.000 0.916 43 E CB -0.614 29.061 29.700 -0.042 0.000 0.947 43 E HN 0.408 nan 8.360 nan 0.000 0.440 44 P HA 0.026 nan 4.420 nan 0.000 0.266 44 P C -0.456 176.777 177.300 -0.111 0.000 1.193 44 P CA 0.381 63.433 63.100 -0.080 0.000 0.770 44 P CB 0.563 32.218 31.700 -0.074 0.000 0.836 45 L N 3.259 124.395 121.223 -0.145 0.000 2.370 45 L HA 0.479 4.819 4.340 0.000 0.000 0.266 45 L C -2.187 174.513 176.870 -0.282 0.000 1.002 45 L CA -2.569 52.134 54.840 -0.228 0.000 0.818 45 L CB 2.314 44.223 42.059 -0.250 0.000 1.325 45 L HN 0.256 nan 8.230 nan 0.000 0.418 46 P HA 0.040 nan 4.420 nan 0.000 0.272 46 P C 0.145 177.170 177.300 -0.458 0.000 1.223 46 P CA -0.332 62.524 63.100 -0.406 0.000 0.784 46 P CB 0.648 32.072 31.700 -0.461 0.000 0.923 47 E N 2.419 122.490 120.200 -0.216 0.000 2.147 47 E HA -0.226 4.124 4.350 0.000 0.000 0.199 47 E C 1.671 178.228 176.600 -0.072 0.000 1.005 47 E CA 1.378 57.722 56.400 -0.093 0.000 0.810 47 E CB -0.910 28.811 29.700 0.035 0.000 0.736 47 E HN 0.653 nan 8.360 nan 0.000 0.460 48 W N 1.803 123.109 121.300 0.009 0.000 2.467 48 W HA 0.080 4.740 4.660 0.000 0.000 0.275 48 W C 1.677 178.199 176.519 0.006 0.000 1.239 48 W CA 0.853 58.203 57.345 0.008 0.000 1.266 48 W CB -0.444 29.019 29.460 0.005 0.000 1.112 48 W HN 0.007 nan 8.180 nan 0.000 0.576 49 K N 1.687 121.617 120.400 -0.782 0.000 2.167 49 K HA -0.025 4.295 4.320 0.000 0.000 0.203 49 K C 1.925 178.369 176.600 -0.260 0.000 1.052 49 K CA 1.496 57.397 56.287 -0.644 0.000 0.956 49 K CB -0.676 31.174 32.500 -1.083 0.000 0.735 49 K HN 0.021 nan 8.250 nan 0.000 0.451 50 V N 1.205 120.976 119.914 -0.238 0.000 2.295 50 V HA -0.234 3.886 4.120 0.000 0.000 0.246 50 V C 2.276 178.342 176.094 -0.047 0.000 1.049 50 V CA 1.753 63.983 62.300 -0.117 0.000 1.024 50 V CB -0.407 31.363 31.823 -0.088 0.000 0.648 50 V HN 0.275 nan 8.190 nan 0.000 0.447 51 L N -0.189 121.028 121.223 -0.010 0.000 2.046 51 L HA -0.222 4.118 4.340 0.000 0.000 0.208 51 L C 2.618 179.515 176.870 0.046 0.000 1.077 51 L CA 2.080 56.941 54.840 0.035 0.000 0.747 51 L CB -0.533 41.573 42.059 0.077 0.000 0.896 51 L HN 0.459 nan 8.230 nan 0.000 0.432 52 E N -0.005 120.237 120.200 0.070 0.000 2.077 52 E HA -0.243 4.107 4.350 0.000 0.000 0.193 52 E C 2.013 178.635 176.600 0.036 0.000 0.989 52 E CA 1.145 57.595 56.400 0.084 0.000 0.800 52 E CB 0.174 29.966 29.700 0.153 0.000 0.746 52 E HN 0.350 nan 8.360 nan 0.000 0.452 53 E N 0.366 120.568 120.200 0.003 0.000 2.072 53 E HA -0.157 4.193 4.350 0.000 0.000 0.191 53 E C 2.115 178.710 176.600 -0.008 0.000 0.985 53 E CA 0.481 56.875 56.400 -0.010 0.000 0.801 53 E CB -0.169 29.510 29.700 -0.034 0.000 0.750 53 E HN 0.290 nan 8.360 nan 0.000 0.452 54 L N 0.715 121.934 121.223 -0.006 0.000 2.017 54 L HA -0.142 4.198 4.340 0.000 0.000 0.208 54 L C 2.440 179.309 176.870 -0.002 0.000 1.073 54 L CA 1.477 56.313 54.840 -0.007 0.000 0.745 54 L CB -1.067 40.991 42.059 -0.001 0.000 0.894 54 L HN 0.061 nan 8.230 nan 0.000 0.432 55 R N -0.771 119.736 120.500 0.011 0.000 2.105 55 R HA -0.144 4.196 4.340 0.000 0.000 0.239 55 R C 2.393 178.698 176.300 0.008 0.000 1.135 55 R CA 1.307 57.416 56.100 0.014 0.000 0.967 55 R CB -0.091 30.226 30.300 0.028 0.000 0.861 55 R HN 0.313 nan 8.270 nan 0.000 0.442 56 R N -0.084 120.422 120.500 0.009 0.000 2.092 56 R HA -0.083 4.257 4.340 0.000 0.000 0.231 56 R C 2.259 178.555 176.300 -0.006 0.000 1.119 56 R CA 1.170 57.273 56.100 0.005 0.000 0.970 56 R CB -0.301 30.003 30.300 0.008 0.000 0.864 56 R HN 0.230 nan 8.270 nan 0.000 0.440 57 L N 0.083 121.297 121.223 -0.014 0.000 2.027 57 L HA -0.130 4.210 4.340 0.000 0.000 0.206 57 L C 2.683 179.533 176.870 -0.033 0.000 1.074 57 L CA 1.206 56.030 54.840 -0.027 0.000 0.745 57 L CB -0.588 41.450 42.059 -0.035 0.000 0.898 57 L HN 0.238 nan 8.230 nan 0.000 0.433 58 A N 0.068 122.872 122.820 -0.027 0.000 1.940 58 A HA -0.180 4.140 4.320 0.000 0.000 0.219 58 A C 2.447 180.022 177.584 -0.015 0.000 1.176 58 A CA 1.663 53.684 52.037 -0.026 0.000 0.631 58 A CB -0.660 18.331 19.000 -0.015 0.000 0.814 58 A HN 0.417 nan 8.150 nan 0.000 0.446 59 A N -0.863 121.953 122.820 -0.007 0.000 2.121 59 A HA -0.140 4.180 4.320 0.000 0.000 0.218 59 A C 1.956 179.539 177.584 -0.002 0.000 1.154 59 A CA 1.379 53.416 52.037 -0.001 0.000 0.679 59 A CB -0.418 18.584 19.000 0.003 0.000 0.795 59 A HN 0.690 nan 8.150 nan 0.000 0.458 60 Q N -0.022 119.772 119.800 -0.010 0.000 2.432 60 Q HA 0.026 4.366 4.340 0.000 0.000 0.205 60 Q C -0.206 175.789 176.000 -0.008 0.000 0.945 60 Q CA 0.042 55.839 55.803 -0.010 0.000 0.924 60 Q CB 0.079 28.805 28.738 -0.019 0.000 1.016 60 Q HN 0.594 nan 8.270 nan 0.000 0.503 61 N N 0.736 119.429 118.700 -0.011 0.000 2.482 61 N HA 0.242 4.982 4.740 0.000 0.000 0.279 61 N C -1.041 174.494 175.510 0.041 0.000 1.182 61 N CA -0.451 52.599 53.050 0.001 0.000 0.969 61 N CB 1.257 39.724 38.487 -0.034 0.000 1.201 61 N HN -0.024 nan 8.380 nan 0.000 0.523 62 L N 3.017 124.299 121.223 0.098 0.000 2.301 62 L HA 0.421 4.761 4.340 0.000 0.000 0.278 62 L C -2.261 174.774 176.870 0.276 0.000 1.022 62 L CA -1.867 53.066 54.840 0.155 0.000 0.854 62 L CB 0.503 42.647 42.059 0.141 0.000 1.226 62 L HN 0.360 nan 8.230 nan 0.000 0.429 63 P HA -0.026 nan 4.420 nan 0.000 0.263 63 P C -0.103 177.327 177.300 0.217 0.000 1.175 63 P CA 0.087 63.277 63.100 0.149 0.000 0.761 63 P CB 0.746 32.511 31.700 0.109 0.000 0.794 64 A N 2.044 124.891 122.820 0.046 0.000 2.370 64 A HA 0.008 4.328 4.320 0.000 0.000 0.238 64 A C 0.788 178.405 177.584 0.055 0.000 1.289 64 A CA 0.019 52.010 52.037 -0.077 0.000 0.885 64 A CB -1.218 17.638 19.000 -0.241 0.000 0.961 64 A HN 0.690 nan 8.150 nan 0.000 0.499 65 H N 1.301 120.385 119.070 0.024 0.000 3.004 65 H HA 0.181 4.737 4.556 0.000 0.000 0.316 65 H C 0.522 175.839 175.328 -0.018 0.000 1.014 65 H CA 1.077 57.123 56.048 -0.003 0.000 1.454 65 H CB -0.082 29.686 29.762 0.010 0.000 1.472 65 H HN 0.389 nan 8.280 nan 0.000 0.571 66 K N 1.568 121.654 120.400 -0.523 0.000 3.230 66 K HA -0.181 4.139 4.320 0.000 0.000 0.285 66 K C -0.190 176.264 176.600 -0.243 0.000 1.196 66 K CA 0.408 56.395 56.287 -0.499 0.000 0.838 66 K CB -1.587 30.606 32.500 -0.512 0.000 1.262 66 K HN 0.711 nan 8.250 nan 0.000 0.492 67 A N -0.051 122.681 122.820 -0.146 0.000 2.366 67 A HA 0.497 4.817 4.320 0.000 0.000 0.249 67 A C 0.419 177.908 177.584 -0.159 0.000 1.084 67 A CA 0.026 52.037 52.037 -0.044 0.000 0.794 67 A CB 0.053 19.058 19.000 0.008 0.000 1.034 67 A HN 0.268 nan 8.150 nan 0.000 0.491 68 F N 0.034 120.082 119.950 0.163 0.000 2.647 68 F HA 0.280 4.807 4.527 0.000 0.000 0.300 68 F C 0.195 175.999 175.800 0.006 0.000 1.106 68 F CA -0.035 58.008 58.000 0.072 0.000 1.313 68 F CB -0.084 38.962 39.000 0.076 0.000 1.007 68 F HN 0.253 nan 8.300 nan 0.000 0.536 69 L N -0.060 121.227 121.223 0.106 0.000 2.397 69 L HA 0.549 4.889 4.340 0.000 0.000 0.271 69 L C 0.962 177.808 176.870 -0.040 0.000 1.148 69 L CA -0.136 54.700 54.840 -0.006 0.000 0.825 69 L CB 0.567 42.622 42.059 -0.006 0.000 1.117 69 L HN 0.232 nan 8.230 nan 0.000 0.456 70 G N -0.270 108.470 108.800 -0.100 0.000 3.247 70 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 70 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 70 G C 0.214 175.074 174.900 -0.067 0.000 1.220 70 G CA -0.282 44.764 45.100 -0.089 0.000 0.875 70 G HN 0.898 nan 8.290 nan 0.000 0.606 71 G N -2.006 106.749 108.800 -0.074 0.000 2.207 71 G HA2 0.357 4.317 3.960 0.000 0.000 0.216 71 G HA3 0.357 4.317 3.960 0.000 0.000 0.216 71 G C 1.281 176.356 174.900 0.292 0.000 1.053 71 G CA 0.953 46.090 45.100 0.062 0.000 0.764 71 G HN 2.512 nan 8.290 nan 0.000 0.495 72 G N -2.776 106.127 108.800 0.173 0.000 2.436 72 G HA2 0.056 4.016 3.960 0.000 0.000 0.204 72 G HA3 0.056 4.016 3.960 0.000 0.000 0.204 72 G C 0.279 175.213 174.900 0.056 0.000 1.026 72 G CA 0.351 45.537 45.100 0.144 0.000 0.658 72 G HN 1.602 nan 8.290 nan 0.000 0.499 73 V N 2.067 122.007 119.914 0.045 0.000 2.555 73 V HA 0.830 4.950 4.120 0.000 0.000 0.302 73 V C 0.136 176.230 176.094 -0.001 0.000 1.038 73 V CA -0.663 61.635 62.300 -0.003 0.000 0.887 73 V CB 1.662 33.486 31.823 0.002 0.000 0.991 73 V HN 0.479 nan 8.190 nan 0.000 0.434 74 R N 1.911 122.410 120.500 -0.003 0.000 2.771 74 R HA 0.462 4.802 4.340 0.000 0.000 0.274 74 R C -0.542 175.687 176.300 -0.119 0.000 0.987 74 R CA -0.713 55.344 56.100 -0.071 0.000 0.908 74 R CB 1.982 32.207 30.300 -0.126 0.000 1.213 74 R HN 0.583 nan 8.270 nan 0.000 0.468 75 S N 1.916 117.503 115.700 -0.187 0.000 3.919 75 S HA 0.096 4.566 4.470 0.000 0.000 0.245 75 S C -0.183 174.273 174.600 -0.240 0.000 1.344 75 S CA -0.315 57.787 58.200 -0.163 0.000 0.896 75 S CB -0.531 62.564 63.200 -0.175 0.000 1.557 75 S HN 0.362 nan 8.310 nan 0.000 0.468 76 H N 1.760 120.812 119.070 -0.030 0.000 2.500 76 H HA 0.189 4.745 4.556 0.000 0.000 0.351 76 H C 0.077 175.448 175.328 0.072 0.000 1.281 76 H CA -0.373 55.679 56.048 0.007 0.000 1.368 76 H CB 0.557 30.318 29.762 -0.001 0.000 1.616 76 H HN 0.615 nan 8.280 nan 0.000 0.591 77 H N 0.487 119.676 119.070 0.199 0.000 2.767 77 H HA 0.160 4.716 4.556 0.000 0.000 0.316 77 H C -0.884 174.552 175.328 0.179 0.000 1.059 77 H CA -0.225 55.920 56.048 0.162 0.000 1.461 77 H CB 0.032 29.885 29.762 0.151 0.000 1.475 77 H HN 0.097 nan 8.280 nan 0.000 0.531 78 V N 9.662 129.345 119.914 -0.385 0.000 2.304 78 V HA 0.204 4.324 4.120 0.000 0.000 0.262 78 V C -1.944 173.826 176.094 -0.540 0.000 1.061 78 V CA -1.623 60.499 62.300 -0.297 0.000 0.872 78 V CB 0.426 32.184 31.823 -0.109 0.000 1.077 78 V HN 0.840 nan 8.190 nan 0.000 0.480 79 P HA 0.120 nan 4.420 nan 0.000 0.262 79 P C -1.979 175.292 177.300 -0.049 0.000 1.199 79 P CA -1.154 61.827 63.100 -0.200 0.000 0.763 79 P CB 0.829 32.544 31.700 0.025 0.000 0.790 80 P HA -0.159 nan 4.420 nan 0.000 0.218 80 P C 1.568 178.884 177.300 0.027 0.000 1.148 80 P CA 0.724 63.837 63.100 0.022 0.000 0.822 80 P CB 0.012 31.739 31.700 0.045 0.000 0.784 81 V N 0.110 120.046 119.914 0.035 0.000 2.343 81 V HA -0.197 3.923 4.120 0.000 0.000 0.247 81 V C 2.517 178.627 176.094 0.026 0.000 1.051 81 V CA 1.769 64.088 62.300 0.031 0.000 1.036 81 V CB -0.884 30.955 31.823 0.027 0.000 0.654 81 V HN -0.096 nan 8.190 nan 0.000 0.451 82 V N 0.034 119.964 119.914 0.027 0.000 2.295 82 V HA -0.248 3.872 4.120 0.000 0.000 0.246 82 V C 2.656 178.759 176.094 0.015 0.000 1.049 82 V CA 2.226 64.542 62.300 0.026 0.000 1.024 82 V CB -0.782 31.080 31.823 0.066 0.000 0.648 82 V HN 0.540 nan 8.190 nan 0.000 0.447 83 Q N -0.224 119.586 119.800 0.017 0.000 2.124 83 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 83 Q C 2.382 178.397 176.000 0.025 0.000 0.977 83 Q CA 1.864 57.676 55.803 0.015 0.000 0.850 83 Q CB -0.675 28.069 28.738 0.010 0.000 0.901 83 Q HN 0.667 nan 8.270 nan 0.000 0.429 84 A N 0.507 123.345 122.820 0.030 0.000 1.930 84 A HA -0.080 4.240 4.320 0.000 0.000 0.217 84 A C 2.228 179.847 177.584 0.058 0.000 1.175 84 A CA 0.808 52.868 52.037 0.039 0.000 0.627 84 A CB -0.537 18.485 19.000 0.036 0.000 0.815 84 A HN 0.297 nan 8.150 nan 0.000 0.443 85 L N -0.910 120.347 121.223 0.057 0.000 2.056 85 L HA -0.121 4.219 4.340 0.000 0.000 0.207 85 L C 2.852 179.796 176.870 0.124 0.000 1.078 85 L CA 1.044 55.940 54.840 0.092 0.000 0.749 85 L CB -0.423 41.667 42.059 0.052 0.000 0.901 85 L HN 0.408 nan 8.230 nan 0.000 0.433 86 A N -0.423 122.417 122.820 0.034 0.000 2.235 86 A HA 0.166 4.486 4.320 0.000 0.000 0.208 86 A C 2.212 179.849 177.584 0.088 0.000 1.172 86 A CA 1.048 53.091 52.037 0.010 0.000 0.786 86 A CB -0.382 18.581 19.000 -0.061 0.000 0.804 86 A HN 0.368 nan 8.150 nan 0.000 0.479 87 A N -0.446 122.428 122.820 0.090 0.000 2.195 87 A HA 0.164 4.484 4.320 0.000 0.000 0.210 87 A C 1.091 178.729 177.584 0.090 0.000 1.165 87 A CA -0.339 51.743 52.037 0.075 0.000 0.806 87 A CB -0.069 18.960 19.000 0.050 0.000 0.847 87 A HN 0.328 nan 8.150 nan 0.000 0.482 88 R N 0.198 120.779 120.500 0.135 0.000 2.537 88 R HA 0.017 4.357 4.340 0.000 0.000 0.281 88 R C 1.470 177.804 176.300 0.056 0.000 0.988 88 R CA 0.574 56.727 56.100 0.087 0.000 1.077 88 R CB -0.060 30.301 30.300 0.101 0.000 0.932 88 R HN 0.307 nan 8.270 nan 0.000 0.409 89 G N 3.026 111.829 108.800 0.004 0.000 2.442 89 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 89 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 89 G C 0.993 175.873 174.900 -0.033 0.000 1.141 89 G CA 0.589 45.685 45.100 -0.007 0.000 0.763 89 G HN 0.572 nan 8.290 nan 0.000 0.554 90 E N 0.110 120.239 120.200 -0.119 0.000 2.110 90 E HA -0.050 4.300 4.350 0.000 0.000 0.193 90 E C 2.028 178.540 176.600 -0.147 0.000 0.988 90 E CA 0.871 57.160 56.400 -0.186 0.000 0.804 90 E CB -0.303 29.198 29.700 -0.332 0.000 0.745 90 E HN 0.498 nan 8.360 nan 0.000 0.458 91 F N -0.218 119.721 119.950 -0.019 0.000 2.234 91 F HA 0.033 4.560 4.527 0.000 0.000 0.296 91 F C 1.999 177.781 175.800 -0.030 0.000 1.089 91 F CA 0.326 58.308 58.000 -0.031 0.000 1.343 91 F CB -0.584 38.395 39.000 -0.036 0.000 1.040 91 F HN 0.032 nan 8.300 nan 0.000 0.498 92 L N 0.010 121.335 121.223 0.170 0.000 2.056 92 L HA -0.117 4.223 4.340 0.000 0.000 0.207 92 L C 2.334 179.238 176.870 0.057 0.000 1.078 92 L CA 2.295 57.189 54.840 0.089 0.000 0.749 92 L CB -0.996 41.101 42.059 0.064 0.000 0.901 92 L HN 0.286 nan 8.230 nan 0.000 0.433 93 T N -2.841 111.739 114.554 0.043 0.000 3.069 93 T HA 0.480 4.830 4.350 0.000 0.000 0.252 93 T C 0.774 175.504 174.700 0.051 0.000 1.053 93 T CA 0.070 62.190 62.100 0.034 0.000 0.964 93 T CB -0.404 68.471 68.868 0.011 0.000 1.005 93 T HN 0.330 nan 8.240 nan 0.000 0.532 94 A N 0.910 123.764 122.820 0.056 0.000 2.346 94 A HA 0.591 4.911 4.320 0.000 0.000 0.252 94 A C -0.374 177.283 177.584 0.122 0.000 1.089 94 A CA -0.620 51.459 52.037 0.069 0.000 0.797 94 A CB 0.180 19.205 19.000 0.041 0.000 1.047 94 A HN 0.543 nan 8.150 nan 0.000 0.494 95 Y N -0.161 120.131 120.300 -0.013 0.000 2.618 95 Y HA 0.466 5.016 4.550 0.000 0.000 0.326 95 Y C 0.787 176.646 175.900 -0.069 0.000 1.168 95 Y CA -0.523 57.566 58.100 -0.018 0.000 1.269 95 Y CB 0.792 39.258 38.460 0.010 0.000 1.388 95 Y HN 0.666 nan 8.280 nan 0.000 0.528 96 T N 6.008 119.881 114.554 -1.136 0.000 2.866 96 T HA 0.069 4.419 4.350 0.000 0.000 0.293 96 T C -2.507 171.799 174.700 -0.657 0.000 1.005 96 T CA -0.503 61.043 62.100 -0.923 0.000 1.162 96 T CB -0.155 67.982 68.868 -1.217 0.000 0.968 96 T HN 0.345 nan 8.240 nan 0.000 0.530 97 P HA 0.050 nan 4.420 nan 0.000 0.259 97 P C -0.333 176.819 177.300 -0.248 0.000 1.635 97 P CA 0.006 62.963 63.100 -0.239 0.000 1.199 97 P CB -0.048 31.569 31.700 -0.139 0.000 1.850 98 Y N 0.249 120.556 120.300 0.011 0.000 2.503 98 Y HA 0.069 4.619 4.550 0.000 0.000 0.278 98 Y C 1.646 177.553 175.900 0.012 0.000 1.111 98 Y CA 0.717 58.820 58.100 0.006 0.000 1.270 98 Y CB 0.142 38.609 38.460 0.011 0.000 1.063 98 Y HN 0.225 nan 8.280 nan 0.000 0.548 99 Q N 2.008 121.901 119.800 0.155 0.000 2.655 99 Q HA 0.183 4.523 4.340 0.000 0.000 0.228 99 Q C -1.809 174.229 176.000 0.062 0.000 1.186 99 Q CA -1.990 53.870 55.803 0.095 0.000 1.004 99 Q CB 0.744 29.529 28.738 0.079 0.000 1.242 99 Q HN 0.237 nan 8.270 nan 0.000 0.558 100 P HA -0.216 nan 4.420 nan 0.000 0.217 100 P C 0.340 177.661 177.300 0.035 0.000 1.151 100 P CA 1.311 64.438 63.100 0.045 0.000 0.849 100 P CB 0.603 32.330 31.700 0.045 0.000 0.787 101 E N 0.004 120.221 120.200 0.027 0.000 2.209 101 E HA -0.118 4.232 4.350 0.000 0.000 0.196 101 E C 1.711 178.321 176.600 0.017 0.000 0.993 101 E CA 1.472 57.882 56.400 0.018 0.000 0.819 101 E CB -0.675 29.033 29.700 0.013 0.000 0.745 101 E HN 0.345 nan 8.360 nan 0.000 0.477 102 V N -3.669 116.257 119.914 0.020 0.000 3.276 102 V HA 0.329 4.449 4.120 0.000 0.000 0.319 102 V C 0.662 176.762 176.094 0.011 0.000 1.427 102 V CA -0.120 62.187 62.300 0.012 0.000 1.102 102 V CB 0.749 32.579 31.823 0.011 0.000 1.020 102 V HN 0.000 nan 8.190 nan 0.000 0.456 103 S N 0.415 116.128 115.700 0.021 0.000 2.855 103 S HA 0.243 4.713 4.470 0.000 0.000 0.249 103 S C 1.269 175.892 174.600 0.039 0.000 1.033 103 S CA -0.361 57.850 58.200 0.019 0.000 1.038 103 S CB 0.417 63.624 63.200 0.011 0.000 0.960 103 S HN 0.449 nan 8.310 nan 0.000 0.548 104 Q N 1.314 121.145 119.800 0.053 0.000 2.226 104 Q HA -0.045 4.295 4.340 0.000 0.000 0.204 104 Q C 2.125 178.177 176.000 0.088 0.000 0.975 104 Q CA 1.424 57.286 55.803 0.098 0.000 0.866 104 Q CB -0.651 28.150 28.738 0.104 0.000 0.915 104 Q HN 0.645 nan 8.270 nan 0.000 0.440 105 G N 0.182 109.016 108.800 0.056 0.000 2.433 105 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 105 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 105 G C 1.596 176.599 174.900 0.171 0.000 1.186 105 G CA 0.964 46.115 45.100 0.085 0.000 0.779 105 G HN 0.290 nan 8.290 nan 0.000 0.543 106 V N 0.735 120.732 119.914 0.140 0.000 2.379 106 V HA -0.047 4.073 4.120 0.000 0.000 0.245 106 V C 2.856 178.969 176.094 0.031 0.000 1.044 106 V CA 0.875 63.249 62.300 0.123 0.000 1.036 106 V CB -0.281 31.585 31.823 0.071 0.000 0.664 106 V HN 0.181 nan 8.190 nan 0.000 0.453 107 L N -0.128 121.112 121.223 0.029 0.000 2.017 107 L HA -0.214 4.126 4.340 0.000 0.000 0.208 107 L C 2.464 179.287 176.870 -0.078 0.000 1.073 107 L CA 2.037 56.893 54.840 0.027 0.000 0.745 107 L CB -1.463 40.663 42.059 0.112 0.000 0.894 107 L HN 0.457 nan 8.230 nan 0.000 0.432 108 Q N -0.911 118.789 119.800 -0.168 0.000 2.079 108 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 108 Q C 2.204 178.061 176.000 -0.238 0.000 0.974 108 Q CA 1.597 57.081 55.803 -0.532 0.000 0.840 108 Q CB 0.078 28.607 28.738 -0.349 0.000 0.898 108 Q HN 0.465 nan 8.270 nan 0.000 0.430 109 A N -0.006 122.765 122.820 -0.082 0.000 1.940 109 A HA -0.195 4.125 4.320 0.000 0.000 0.219 109 A C 2.180 179.730 177.584 -0.056 0.000 1.176 109 A CA 2.033 54.032 52.037 -0.063 0.000 0.631 109 A CB -0.936 18.025 19.000 -0.064 0.000 0.814 109 A HN 0.475 nan 8.150 nan 0.000 0.446 110 T N -1.160 113.370 114.554 -0.041 0.000 2.857 110 T HA -0.065 4.285 4.350 0.000 0.000 0.266 110 T C 1.576 176.327 174.700 0.085 0.000 1.048 110 T CA 1.313 63.423 62.100 0.015 0.000 1.139 110 T CB -0.345 68.518 68.868 -0.008 0.000 0.874 110 T HN 0.474 nan 8.240 nan 0.000 0.455 111 F N 2.290 122.140 119.950 -0.166 0.000 2.134 111 F HA -0.087 4.440 4.527 0.000 0.000 0.299 111 F C 2.177 177.889 175.800 -0.147 0.000 1.097 111 F CA 1.337 59.224 58.000 -0.188 0.000 1.264 111 F CB -0.250 38.455 39.000 -0.491 0.000 1.001 111 F HN 0.199 nan 8.300 nan 0.000 0.479 112 E N -1.163 118.977 120.200 -0.101 0.000 2.106 112 E HA -0.267 4.083 4.350 0.000 0.000 0.192 112 E C 2.001 178.503 176.600 -0.163 0.000 0.984 112 E CA 1.426 57.735 56.400 -0.152 0.000 0.806 112 E CB -0.650 29.011 29.700 -0.064 0.000 0.750 112 E HN 0.628 nan 8.360 nan 0.000 0.458 113 Y N 2.273 122.459 120.300 -0.191 0.000 2.070 113 Y HA -0.303 4.247 4.550 0.000 0.000 0.280 113 Y C 2.183 177.973 175.900 -0.183 0.000 1.148 113 Y CA 2.057 60.048 58.100 -0.181 0.000 1.125 113 Y CB -0.338 38.011 38.460 -0.186 0.000 0.975 113 Y HN -0.039 nan 8.280 nan 0.000 0.492 114 Q N -0.495 119.088 119.800 -0.361 0.000 2.077 114 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 114 Q C 2.177 177.912 176.000 -0.442 0.000 0.989 114 Q CA 2.589 58.140 55.803 -0.420 0.000 0.853 114 Q CB -0.479 28.134 28.738 -0.207 0.000 0.907 114 Q HN 0.489 nan 8.270 nan 0.000 0.418 115 T N 0.973 115.253 114.554 -0.457 0.000 2.652 115 T HA -0.183 4.167 4.350 0.000 0.000 0.267 115 T C 1.835 176.349 174.700 -0.310 0.000 1.039 115 T CA 1.496 63.361 62.100 -0.392 0.000 1.153 115 T CB -0.210 68.410 68.868 -0.414 0.000 0.863 115 T HN 0.247 nan 8.240 nan 0.000 0.428 116 M N 0.216 119.630 119.600 -0.311 0.000 2.108 116 M HA -0.069 4.411 4.480 0.000 0.000 0.261 116 M C 2.169 178.277 176.300 -0.320 0.000 1.066 116 M CA 1.348 56.491 55.300 -0.261 0.000 1.107 116 M CB -0.433 32.044 32.600 -0.205 0.000 1.356 116 M HN 0.174 nan 8.290 nan 0.000 0.406 117 I N 0.416 120.701 120.570 -0.476 0.000 2.202 117 I HA -0.207 3.963 4.170 0.000 0.000 0.242 117 I C 2.745 178.646 176.117 -0.360 0.000 1.091 117 I CA 1.615 62.608 61.300 -0.512 0.000 1.368 117 I CB -1.600 36.008 38.000 -0.653 0.000 1.058 117 I HN 0.216 nan 8.210 nan 0.000 0.410 118 A N 0.351 122.998 122.820 -0.288 0.000 1.908 118 A HA -0.210 4.110 4.320 0.000 0.000 0.218 118 A C 2.211 179.699 177.584 -0.160 0.000 1.181 118 A CA 1.558 53.484 52.037 -0.186 0.000 0.627 118 A CB -0.500 18.401 19.000 -0.166 0.000 0.818 118 A HN 0.366 nan 8.150 nan 0.000 0.445 119 E N -0.617 119.479 120.200 -0.173 0.000 2.077 119 E HA -0.162 4.188 4.350 0.000 0.000 0.193 119 E C 1.974 178.497 176.600 -0.128 0.000 0.989 119 E CA 0.994 57.313 56.400 -0.134 0.000 0.800 119 E CB -0.460 29.163 29.700 -0.129 0.000 0.746 119 E HN 0.474 nan 8.360 nan 0.000 0.452 120 L N 0.659 121.780 121.223 -0.171 0.000 2.046 120 L HA -0.094 4.246 4.340 0.000 0.000 0.208 120 L C 2.117 178.903 176.870 -0.141 0.000 1.077 120 L CA 1.941 56.681 54.840 -0.166 0.000 0.747 120 L CB -0.659 41.253 42.059 -0.245 0.000 0.896 120 L HN 0.042 nan 8.230 nan 0.000 0.432 121 A N -1.429 121.298 122.820 -0.156 0.000 2.167 121 A HA 0.328 4.648 4.320 0.000 0.000 0.214 121 A C 1.643 179.205 177.584 -0.036 0.000 1.151 121 A CA 0.707 52.699 52.037 -0.074 0.000 0.735 121 A CB -0.827 18.149 19.000 -0.041 0.000 0.802 121 A HN 0.714 nan 8.150 nan 0.000 0.467 122 G N -1.652 107.115 108.800 -0.056 0.000 2.176 122 G HA2 -0.159 3.801 3.960 0.000 0.000 0.252 122 G HA3 -0.159 3.801 3.960 0.000 0.000 0.252 122 G C -0.123 174.762 174.900 -0.024 0.000 1.024 122 G CA 0.501 45.578 45.100 -0.040 0.000 0.755 122 G HN 0.321 nan 8.290 nan 0.000 0.507 123 L N -1.004 120.199 121.223 -0.034 0.000 2.267 123 L HA 0.630 4.970 4.340 0.000 0.000 0.264 123 L C 1.476 178.321 176.870 -0.042 0.000 1.021 123 L CA -0.421 54.407 54.840 -0.019 0.000 0.861 123 L CB 0.736 42.798 42.059 0.005 0.000 1.443 123 L HN 0.250 nan 8.230 nan 0.000 0.475 124 E N 0.135 120.313 120.200 -0.037 0.000 2.099 124 E HA 0.150 4.500 4.350 0.000 0.000 0.191 124 E C 0.012 176.578 176.600 -0.057 0.000 0.962 124 E CA 0.565 56.935 56.400 -0.050 0.000 0.826 124 E CB 0.673 30.342 29.700 -0.051 0.000 0.788 124 E HN 0.553 nan 8.360 nan 0.000 0.461 125 I N -2.649 117.898 120.570 -0.038 0.000 3.145 125 I HA 0.808 4.978 4.170 0.000 0.000 0.313 125 I C -1.281 174.821 176.117 -0.026 0.000 1.122 125 I CA -1.387 59.891 61.300 -0.038 0.000 0.987 125 I CB 2.414 40.412 38.000 -0.004 0.000 1.236 125 I HN -0.124 nan 8.210 nan 0.000 0.453 126 A N 2.066 124.868 122.820 -0.030 0.000 2.604 126 A HA 0.644 4.964 4.320 0.000 0.000 0.295 126 A C -1.254 176.354 177.584 0.041 0.000 1.067 126 A CA -0.759 51.277 52.037 -0.001 0.000 0.683 126 A CB 1.439 20.387 19.000 -0.086 0.000 1.281 126 A HN 0.950 nan 8.150 nan 0.000 0.407 127 N N 0.498 119.256 118.700 0.096 0.000 2.405 127 N HA 0.515 5.255 4.740 0.000 0.000 0.269 127 N C 0.892 176.522 175.510 0.199 0.000 1.249 127 N CA 0.026 53.144 53.050 0.113 0.000 0.974 127 N CB 0.668 39.205 38.487 0.083 0.000 1.204 127 N HN 0.891 nan 8.380 nan 0.000 0.565 128 A N -1.008 121.898 122.820 0.144 0.000 2.216 128 A HA 0.237 4.557 4.320 0.000 0.000 0.214 128 A C 0.104 177.701 177.584 0.021 0.000 1.160 128 A CA 0.948 53.056 52.037 0.119 0.000 0.725 128 A CB -1.426 17.575 19.000 0.003 0.000 0.784 128 A HN 1.585 nan 8.150 nan 0.000 0.472 129 S N -3.271 112.501 115.700 0.120 0.000 2.779 129 S HA 0.189 4.659 4.470 0.000 0.000 0.257 129 S C -0.989 173.636 174.600 0.042 0.000 0.634 129 S CA -0.675 57.590 58.200 0.109 0.000 1.183 129 S CB -0.524 62.614 63.200 -0.104 0.000 1.457 129 S HN 0.350 nan 8.310 nan 0.000 0.535 130 M N 1.361 121.003 119.600 0.072 0.000 2.761 130 M HA 0.471 4.951 4.480 0.000 0.000 0.305 130 M C 0.454 176.757 176.300 0.004 0.000 1.235 130 M CA -0.789 54.455 55.300 -0.094 0.000 0.850 130 M CB 0.579 33.114 32.600 -0.108 0.000 1.744 130 M HN 0.877 nan 8.290 nan 0.000 0.480 131 Y N 0.967 121.267 120.300 0.001 0.000 2.128 131 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 131 Y C 1.276 177.166 175.900 -0.018 0.000 1.154 131 Y CA 1.095 59.192 58.100 -0.006 0.000 1.149 131 Y CB -0.403 38.039 38.460 -0.030 0.000 0.976 131 Y HN 0.655 nan 8.280 nan 0.000 0.505 132 D N -3.849 116.598 120.400 0.080 0.000 2.779 132 D HA 0.179 4.819 4.640 0.000 0.000 0.331 132 D C 1.264 177.435 176.300 -0.214 0.000 1.331 132 D CA 0.037 54.004 54.000 -0.055 0.000 0.866 132 D CB 0.653 41.408 40.800 -0.074 0.000 1.409 132 D HN 0.095 nan 8.370 nan 0.000 0.486 133 G N 0.032 108.653 108.800 -0.299 0.000 2.418 133 G HA2 -0.072 3.888 3.960 0.000 0.000 0.217 133 G HA3 -0.072 3.888 3.960 0.000 0.000 0.217 133 G C 1.429 175.859 174.900 -0.783 0.000 1.158 133 G CA 2.059 46.916 45.100 -0.405 0.000 0.771 133 G HN 0.723 nan 8.290 nan 0.000 0.545 134 A N 0.888 122.982 122.820 -1.209 0.000 1.865 134 A HA -0.090 4.230 4.320 0.000 0.000 0.217 134 A C 2.669 179.902 177.584 -0.584 0.000 1.191 134 A CA 3.033 54.390 52.037 -1.132 0.000 0.623 134 A CB -1.247 17.249 19.000 -0.840 0.000 0.826 134 A HN 0.575 nan 8.150 nan 0.000 0.444 135 T N -2.361 111.939 114.554 -0.423 0.000 2.951 135 T HA 0.201 4.551 4.350 0.000 0.000 0.268 135 T C 1.839 176.312 174.700 -0.377 0.000 1.073 135 T CA 1.375 63.237 62.100 -0.397 0.000 1.134 135 T CB -0.390 68.410 68.868 -0.113 0.000 0.884 135 T HN 0.550 nan 8.240 nan 0.000 0.479 136 A N 1.500 124.125 122.820 -0.324 0.000 1.930 136 A HA 0.187 4.507 4.320 0.000 0.000 0.217 136 A C 2.259 179.686 177.584 -0.262 0.000 1.175 136 A CA 1.329 53.203 52.037 -0.272 0.000 0.627 136 A CB -0.788 18.038 19.000 -0.290 0.000 0.815 136 A HN 0.470 nan 8.150 nan 0.000 0.443 137 L N -0.177 120.877 121.223 -0.281 0.000 2.027 137 L HA -0.017 4.323 4.340 0.000 0.000 0.206 137 L C 2.608 179.355 176.870 -0.205 0.000 1.074 137 L CA 2.227 56.948 54.840 -0.198 0.000 0.745 137 L CB -0.869 41.119 42.059 -0.118 0.000 0.898 137 L HN 0.315 nan 8.230 nan 0.000 0.433 138 A N -0.700 121.931 122.820 -0.315 0.000 1.877 138 A HA -0.183 4.137 4.320 0.000 0.000 0.216 138 A C 2.158 179.596 177.584 -0.244 0.000 1.186 138 A CA 1.719 53.550 52.037 -0.343 0.000 0.620 138 A CB -0.664 17.857 19.000 -0.799 0.000 0.822 138 A HN 0.554 nan 8.150 nan 0.000 0.443 139 E N -0.481 119.555 120.200 -0.273 0.000 2.077 139 E HA -0.154 4.196 4.350 0.000 0.000 0.193 139 E C 2.190 178.729 176.600 -0.102 0.000 0.989 139 E CA 1.217 57.527 56.400 -0.149 0.000 0.800 139 E CB -0.714 28.893 29.700 -0.154 0.000 0.746 139 E HN 0.593 nan 8.360 nan 0.000 0.452 140 G N 0.984 109.713 108.800 -0.118 0.000 2.418 140 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 140 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 140 G C 1.841 176.696 174.900 -0.076 0.000 1.158 140 G CA 0.877 45.925 45.100 -0.087 0.000 0.771 140 G HN 0.174 nan 8.290 nan 0.000 0.545 141 V N 0.800 120.669 119.914 -0.076 0.000 2.379 141 V HA -0.048 4.072 4.120 0.000 0.000 0.245 141 V C 2.889 178.959 176.094 -0.040 0.000 1.044 141 V CA 1.199 63.469 62.300 -0.051 0.000 1.036 141 V CB -0.353 31.447 31.823 -0.038 0.000 0.664 141 V HN 0.331 nan 8.190 nan 0.000 0.453 142 L N -0.523 120.681 121.223 -0.032 0.000 2.127 142 L HA -0.211 4.129 4.340 0.000 0.000 0.211 142 L C 2.398 179.253 176.870 -0.025 0.000 1.089 142 L CA 1.463 56.298 54.840 -0.009 0.000 0.757 142 L CB -0.480 41.591 42.059 0.019 0.000 0.899 142 L HN 0.351 nan 8.230 nan 0.000 0.434 143 L N -0.315 120.883 121.223 -0.042 0.000 2.046 143 L HA -0.203 4.137 4.340 0.000 0.000 0.208 143 L C 2.752 179.561 176.870 -0.103 0.000 1.077 143 L CA 1.470 56.277 54.840 -0.056 0.000 0.747 143 L CB -0.262 41.766 42.059 -0.051 0.000 0.896 143 L HN 0.228 nan 8.230 nan 0.000 0.432 144 A N 0.160 122.912 122.820 -0.114 0.000 1.883 144 A HA -0.207 4.113 4.320 0.000 0.000 0.217 144 A C 2.164 179.689 177.584 -0.098 0.000 1.186 144 A CA 1.819 53.769 52.037 -0.145 0.000 0.624 144 A CB -0.873 18.070 19.000 -0.094 0.000 0.822 144 A HN 0.512 nan 8.150 nan 0.000 0.444 145 L N -1.172 120.020 121.223 -0.053 0.000 2.046 145 L HA -0.208 4.132 4.340 0.000 0.000 0.208 145 L C 2.901 179.753 176.870 -0.030 0.000 1.077 145 L CA 1.546 56.369 54.840 -0.029 0.000 0.747 145 L CB -0.573 41.480 42.059 -0.010 0.000 0.896 145 L HN 0.385 nan 8.230 nan 0.000 0.432 146 R N -0.162 120.319 120.500 -0.033 0.000 2.075 146 R HA -0.196 4.144 4.340 0.000 0.000 0.232 146 R C 2.229 178.510 176.300 -0.031 0.000 1.126 146 R CA 1.442 57.529 56.100 -0.021 0.000 0.963 146 R CB -0.208 30.085 30.300 -0.012 0.000 0.858 146 R HN 0.255 nan 8.270 nan 0.000 0.435 147 E N 0.501 120.658 120.200 -0.072 0.000 2.031 147 E HA -0.149 4.201 4.350 0.000 0.000 0.193 147 E C 1.860 178.425 176.600 -0.057 0.000 0.994 147 E CA 2.253 58.599 56.400 -0.091 0.000 0.800 147 E CB -0.169 29.371 29.700 -0.267 0.000 0.752 147 E HN 0.351 nan 8.360 nan 0.000 0.447 148 T N -3.358 111.156 114.554 -0.066 0.000 3.055 148 T HA 0.140 4.490 4.350 0.000 0.000 0.265 148 T C 1.614 176.310 174.700 -0.006 0.000 1.111 148 T CA 0.847 62.931 62.100 -0.026 0.000 1.118 148 T CB -0.299 68.557 68.868 -0.020 0.000 0.909 148 T HN 0.434 nan 8.240 nan 0.000 0.501 149 G N 1.608 110.403 108.800 -0.009 0.000 2.155 149 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 149 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 149 G C 0.187 175.089 174.900 0.003 0.000 0.983 149 G CA 0.257 45.357 45.100 0.000 0.000 0.676 149 G HN 0.714 nan 8.290 nan 0.000 0.528 150 R N -1.207 119.294 120.500 0.002 0.000 2.608 150 R HA 0.748 5.088 4.340 0.000 0.000 0.255 150 R C 1.102 177.405 176.300 0.006 0.000 1.086 150 R CA -0.821 55.283 56.100 0.007 0.000 1.125 150 R CB 0.397 30.703 30.300 0.010 0.000 1.193 150 R HN 0.089 nan 8.270 nan 0.000 0.553 151 M N -0.076 119.530 119.600 0.010 0.000 2.292 151 M HA 0.199 4.679 4.480 0.000 0.000 0.286 151 M C 0.553 176.860 176.300 0.013 0.000 1.002 151 M CA 0.067 55.373 55.300 0.011 0.000 1.029 151 M CB 0.902 33.508 32.600 0.010 0.000 1.537 151 M HN 0.721 nan 8.290 nan 0.000 0.543 152 G N 0.967 109.776 108.800 0.015 0.000 2.400 152 G HA2 0.553 4.513 3.960 0.000 0.000 0.301 152 G HA3 0.553 4.513 3.960 0.000 0.000 0.301 152 G C -0.880 174.033 174.900 0.022 0.000 1.154 152 G CA -0.243 44.868 45.100 0.018 0.000 0.852 152 G HN 0.062 nan 8.290 nan 0.000 0.511 153 V N 1.922 121.851 119.914 0.024 0.000 2.808 153 V HA 0.430 4.550 4.120 0.000 0.000 0.308 153 V C -0.413 175.701 176.094 0.033 0.000 1.099 153 V CA -0.628 61.689 62.300 0.029 0.000 0.920 153 V CB 1.929 33.766 31.823 0.024 0.000 1.014 153 V HN 0.639 nan 8.190 nan 0.000 0.425 154 L N 4.471 125.720 121.223 0.045 0.000 2.319 154 L HA 0.709 5.049 4.340 0.000 0.000 0.281 154 L C -0.718 176.182 176.870 0.051 0.000 1.005 154 L CA -0.737 54.133 54.840 0.050 0.000 0.828 154 L CB 1.874 43.973 42.059 0.066 0.000 1.227 154 L HN 0.472 nan 8.230 nan 0.000 0.415 155 V N 3.070 123.006 119.914 0.037 0.000 2.487 155 V HA 0.393 4.513 4.120 0.000 0.000 0.298 155 V C 0.147 176.254 176.094 0.023 0.000 1.028 155 V CA -0.277 62.038 62.300 0.026 0.000 0.860 155 V CB 2.225 34.060 31.823 0.020 0.000 0.991 155 V HN 0.815 nan 8.190 nan 0.000 0.427 156 S N 4.274 119.978 115.700 0.007 0.000 2.531 156 S HA 0.096 4.566 4.470 0.000 0.000 0.279 156 S C 1.025 175.645 174.600 0.034 0.000 1.305 156 S CA 0.538 58.747 58.200 0.014 0.000 1.058 156 S CB 1.055 64.229 63.200 -0.043 0.000 0.899 156 S HN 0.977 nan 8.310 nan 0.000 0.493 157 Q N 3.596 123.426 119.800 0.049 0.000 2.368 157 Q HA -0.085 4.255 4.340 0.000 0.000 0.210 157 Q C 1.706 177.819 176.000 0.188 0.000 0.982 157 Q CA 1.467 57.301 55.803 0.051 0.000 0.884 157 Q CB -0.726 28.008 28.738 -0.007 0.000 0.933 157 Q HN 1.001 nan 8.270 nan 0.000 0.460 158 G N 0.113 109.015 108.800 0.169 0.000 2.509 158 G HA2 -0.060 3.900 3.960 0.000 0.000 0.218 158 G HA3 -0.060 3.900 3.960 0.000 0.000 0.218 158 G C 0.495 175.474 174.900 0.132 0.000 1.124 158 G CA 0.117 45.332 45.100 0.192 0.000 0.776 158 G HN 0.188 nan 8.290 nan 0.000 0.547 159 V N 1.819 121.771 119.914 0.064 0.000 2.555 159 V HA 0.059 4.179 4.120 0.000 0.000 0.286 159 V C 0.796 176.869 176.094 -0.034 0.000 1.044 159 V CA -1.144 61.155 62.300 -0.002 0.000 1.026 159 V CB 0.959 32.781 31.823 -0.002 0.000 0.981 159 V HN 0.437 nan 8.190 nan 0.000 0.480 160 H N 9.272 128.179 119.070 -0.270 0.000 3.209 160 H HA -0.055 4.501 4.556 0.000 0.000 0.297 160 H C -1.329 173.784 175.328 -0.359 0.000 0.936 160 H CA -0.802 54.958 56.048 -0.480 0.000 1.392 160 H CB 1.102 30.526 29.762 -0.564 0.000 1.349 160 H HN 0.433 nan 8.280 nan 0.000 0.568 161 P HA -0.204 nan 4.420 nan 0.000 0.217 161 P C 1.003 178.357 177.300 0.090 0.000 1.151 161 P CA 1.590 64.604 63.100 -0.143 0.000 0.849 161 P CB 0.314 31.854 31.700 -0.266 0.000 0.787 162 E N -1.448 118.951 120.200 0.332 0.000 2.106 162 E HA -0.173 4.177 4.350 0.000 0.000 0.192 162 E C 2.206 178.902 176.600 0.159 0.000 0.984 162 E CA 0.874 57.388 56.400 0.189 0.000 0.806 162 E CB -0.475 29.295 29.700 0.117 0.000 0.750 162 E HN 0.278 nan 8.360 nan 0.000 0.458 163 Y N 0.892 121.157 120.300 -0.058 0.000 2.181 163 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 163 Y C 2.270 178.138 175.900 -0.054 0.000 1.146 163 Y CA 1.036 59.082 58.100 -0.090 0.000 1.164 163 Y CB -0.217 38.190 38.460 -0.088 0.000 0.982 163 Y HN -0.066 nan 8.280 nan 0.000 0.515 164 R N -0.589 119.996 120.500 0.142 0.000 2.092 164 R HA -0.095 4.245 4.340 0.000 0.000 0.231 164 R C 2.449 178.774 176.300 0.042 0.000 1.119 164 R CA 1.019 57.157 56.100 0.063 0.000 0.970 164 R CB -0.509 29.809 30.300 0.030 0.000 0.864 164 R HN 0.298 nan 8.270 nan 0.000 0.440 165 A N 0.638 123.484 122.820 0.042 0.000 1.898 165 A HA -0.086 4.234 4.320 0.000 0.000 0.216 165 A C 2.318 179.929 177.584 0.046 0.000 1.181 165 A CA 1.132 53.189 52.037 0.033 0.000 0.620 165 A CB -0.423 18.593 19.000 0.027 0.000 0.819 165 A HN 0.099 nan 8.150 nan 0.000 0.442 166 V N -0.216 119.720 119.914 0.036 0.000 2.343 166 V HA -0.216 3.904 4.120 0.000 0.000 0.247 166 V C 2.492 178.644 176.094 0.096 0.000 1.051 166 V CA 1.899 64.233 62.300 0.057 0.000 1.036 166 V CB -0.710 31.077 31.823 -0.059 0.000 0.654 166 V HN 0.599 nan 8.190 nan 0.000 0.451 167 L N 0.479 121.714 121.223 0.019 0.000 2.046 167 L HA -0.156 4.184 4.340 0.000 0.000 0.208 167 L C 2.556 179.476 176.870 0.083 0.000 1.077 167 L CA 2.132 56.983 54.840 0.018 0.000 0.747 167 L CB -0.742 41.316 42.059 -0.000 0.000 0.896 167 L HN 0.221 nan 8.230 nan 0.000 0.432 168 R N -0.614 119.926 120.500 0.067 0.000 2.096 168 R HA -0.152 4.188 4.340 0.000 0.000 0.235 168 R C 2.138 178.481 176.300 0.072 0.000 1.127 168 R CA 1.352 57.487 56.100 0.058 0.000 0.968 168 R CB -0.363 29.958 30.300 0.034 0.000 0.861 168 R HN 0.510 nan 8.270 nan 0.000 0.440 169 A N 0.039 122.916 122.820 0.096 0.000 1.877 169 A HA -0.175 4.145 4.320 0.000 0.000 0.216 169 A C 1.889 179.499 177.584 0.044 0.000 1.186 169 A CA 1.206 53.277 52.037 0.057 0.000 0.620 169 A CB -0.790 18.239 19.000 0.048 0.000 0.822 169 A HN 0.462 nan 8.150 nan 0.000 0.443 170 Y N -0.943 119.349 120.300 -0.013 0.000 2.242 170 Y HA -0.109 4.441 4.550 0.000 0.000 0.291 170 Y C 2.216 178.111 175.900 -0.009 0.000 1.137 170 Y CA 1.223 59.317 58.100 -0.011 0.000 1.181 170 Y CB -0.372 38.078 38.460 -0.016 0.000 0.989 170 Y HN 0.221 nan 8.280 nan 0.000 0.527 171 L N 0.159 121.473 121.223 0.152 0.000 2.005 171 L HA -0.160 4.180 4.340 0.000 0.000 0.207 171 L C 2.126 179.022 176.870 0.044 0.000 1.072 171 L CA 1.746 56.634 54.840 0.080 0.000 0.744 171 L CB -0.914 41.180 42.059 0.059 0.000 0.895 171 L HN 0.223 nan 8.230 nan 0.000 0.433 172 E N -0.835 119.384 120.200 0.033 0.000 2.204 172 E HA -0.202 4.148 4.350 0.000 0.000 0.195 172 E C 2.160 178.760 176.600 -0.000 0.000 0.990 172 E CA 0.939 57.347 56.400 0.013 0.000 0.821 172 E CB -0.207 29.497 29.700 0.008 0.000 0.750 172 E HN 0.516 nan 8.360 nan 0.000 0.477 173 A N 1.025 123.838 122.820 -0.011 0.000 1.908 173 A HA -0.131 4.189 4.320 0.000 0.000 0.218 173 A C 2.297 179.871 177.584 -0.017 0.000 1.181 173 A CA 1.169 53.186 52.037 -0.033 0.000 0.627 173 A CB -0.399 18.554 19.000 -0.079 0.000 0.818 173 A HN 0.209 nan 8.150 nan 0.000 0.445 174 V N -0.802 119.112 119.914 0.000 0.000 3.633 174 V HA 0.394 4.514 4.120 0.000 0.000 0.283 174 V C 1.356 177.455 176.094 0.007 0.000 1.305 174 V CA 1.191 63.495 62.300 0.006 0.000 1.153 174 V CB -0.559 31.275 31.823 0.019 0.000 0.950 174 V HN 1.268 nan 8.190 nan 0.000 0.432 175 G N 0.158 108.961 108.800 0.006 0.000 2.141 175 G HA2 -0.162 3.799 3.960 0.000 0.000 0.242 175 G HA3 -0.162 3.799 3.960 0.000 0.000 0.242 175 G C 0.324 175.230 174.900 0.010 0.000 0.982 175 G CA 0.289 45.393 45.100 0.006 0.000 0.662 175 G HN 1.259 nan 8.290 nan 0.000 0.527 176 A N -0.244 122.585 122.820 0.015 0.000 2.304 176 A HA 0.705 5.025 4.320 0.000 0.000 0.271 176 A C 0.396 177.990 177.584 0.016 0.000 1.091 176 A CA -0.044 52.003 52.037 0.017 0.000 0.812 176 A CB 0.605 19.618 19.000 0.022 0.000 1.056 176 A HN 0.197 nan 8.150 nan 0.000 0.489 177 K N 0.762 121.171 120.400 0.015 0.000 2.244 177 K HA 0.525 4.845 4.320 0.000 0.000 0.260 177 K C -1.461 175.149 176.600 0.016 0.000 0.951 177 K CA -0.511 55.785 56.287 0.014 0.000 0.826 177 K CB 1.665 34.172 32.500 0.012 0.000 1.108 177 K HN 0.487 nan 8.250 nan 0.000 0.433 178 L N 3.521 124.754 121.223 0.016 0.000 2.329 178 L HA 0.536 4.876 4.340 0.000 0.000 0.279 178 L C -1.445 175.433 176.870 0.014 0.000 1.014 178 L CA -0.916 53.934 54.840 0.017 0.000 0.814 178 L CB 1.397 43.467 42.059 0.018 0.000 1.257 178 L HN 0.510 nan 8.230 nan 0.000 0.424 179 L N 3.592 124.825 121.223 0.016 0.000 2.386 179 L HA 0.692 5.032 4.340 0.000 0.000 0.271 179 L C -0.629 176.250 176.870 0.016 0.000 0.993 179 L CA 0.106 54.955 54.840 0.014 0.000 0.819 179 L CB 2.356 44.425 42.059 0.017 0.000 1.294 179 L HN 0.695 nan 8.230 nan 0.000 0.414 180 T N 5.574 120.134 114.554 0.009 0.000 2.794 180 T HA 0.543 4.893 4.350 0.000 0.000 0.280 180 T C -0.216 174.493 174.700 0.015 0.000 0.987 180 T CA -0.286 61.818 62.100 0.007 0.000 0.993 180 T CB 0.741 69.601 68.868 -0.014 0.000 0.939 180 T HN 0.421 nan 8.240 nan 0.000 0.449 181 L N 6.168 127.409 121.223 0.031 0.000 2.270 181 L HA 0.330 4.670 4.340 0.000 0.000 0.286 181 L C -1.888 175.009 176.870 0.045 0.000 1.059 181 L CA -2.095 52.774 54.840 0.049 0.000 0.839 181 L CB 0.258 42.369 42.059 0.087 0.000 1.221 181 L HN 0.320 nan 8.230 nan 0.000 0.431 182 P HA 0.020 nan 4.420 nan 0.000 0.269 182 P C -0.418 176.922 177.300 0.067 0.000 1.215 182 P CA -0.509 62.607 63.100 0.028 0.000 0.780 182 P CB 1.013 32.719 31.700 0.011 0.000 0.898 183 L N 1.969 123.250 121.223 0.096 0.000 2.436 183 L HA 0.242 4.582 4.340 0.000 0.000 0.265 183 L C 0.825 177.755 176.870 0.101 0.000 1.168 183 L CA 0.515 55.432 54.840 0.129 0.000 0.815 183 L CB -0.600 41.587 42.059 0.213 0.000 1.109 183 L HN 0.431 nan 8.230 nan 0.000 0.462 184 E N 0.219 120.465 120.200 0.078 0.000 2.255 184 E HA 0.510 4.860 4.350 0.000 0.000 0.256 184 E C 0.215 176.822 176.600 0.012 0.000 0.887 184 E CA 0.242 56.669 56.400 0.045 0.000 0.782 184 E CB 1.058 30.779 29.700 0.036 0.000 1.214 184 E HN 0.706 nan 8.360 nan 0.000 0.417 185 G N 2.840 111.623 108.800 -0.030 0.000 2.249 185 G HA2 -0.185 3.775 3.960 0.000 0.000 0.273 185 G HA3 -0.185 3.775 3.960 0.000 0.000 0.273 185 G C 0.941 175.748 174.900 -0.155 0.000 1.036 185 G CA 0.643 45.671 45.100 -0.121 0.000 0.824 185 G HN 1.426 nan 8.290 nan 0.000 0.504 186 G N -1.532 107.203 108.800 -0.110 0.000 2.199 186 G HA2 -0.108 3.852 3.960 0.000 0.000 0.254 186 G HA3 -0.108 3.852 3.960 0.000 0.000 0.254 186 G C 0.403 175.333 174.900 0.051 0.000 0.982 186 G CA 1.243 46.316 45.100 -0.045 0.000 0.632 186 G HN 1.903 nan 8.290 nan 0.000 0.529 187 R N -0.932 119.601 120.500 0.056 0.000 2.888 187 R HA 0.766 5.106 4.340 0.000 0.000 0.264 187 R C -0.540 175.824 176.300 0.107 0.000 1.045 187 R CA -0.231 55.920 56.100 0.083 0.000 0.962 187 R CB 1.037 31.380 30.300 0.072 0.000 1.210 187 R HN 0.435 nan 8.270 nan 0.000 0.479 188 T N 1.285 115.924 114.554 0.140 0.000 2.749 188 T HA 0.406 4.756 4.350 0.000 0.000 0.287 188 T C -2.057 172.795 174.700 0.255 0.000 0.970 188 T CA -2.004 60.208 62.100 0.187 0.000 0.980 188 T CB 1.039 70.010 68.868 0.171 0.000 0.924 188 T HN 0.485 nan 8.240 nan 0.000 0.456 189 P HA 0.185 nan 4.420 nan 0.000 0.271 189 P C -0.145 177.156 177.300 0.001 0.000 1.216 189 P CA -0.741 62.392 63.100 0.056 0.000 0.776 189 P CB 0.613 32.328 31.700 0.025 0.000 0.881 190 L N 6.010 127.094 121.223 -0.231 0.000 2.534 190 L HA 0.177 4.517 4.340 0.000 0.000 0.271 190 L C -1.736 175.001 176.870 -0.222 0.000 1.178 190 L CA -0.812 53.727 54.840 -0.502 0.000 0.907 190 L CB -0.594 41.136 42.059 -0.549 0.000 1.164 190 L HN 0.360 nan 8.230 nan 0.000 0.482 191 P HA 0.246 nan 4.420 nan 0.000 0.280 191 P C -1.154 176.105 177.300 -0.067 0.000 1.272 191 P CA -0.730 62.343 63.100 -0.044 0.000 0.819 191 P CB 0.921 32.644 31.700 0.039 0.000 1.122 192 E N -0.174 120.003 120.200 -0.038 0.000 2.229 192 E HA 0.309 4.659 4.350 0.000 0.000 0.283 192 E C -0.716 175.874 176.600 -0.017 0.000 1.030 192 E CA -0.725 55.653 56.400 -0.036 0.000 0.836 192 E CB 1.144 30.828 29.700 -0.026 0.000 1.068 192 E HN 0.143 nan 8.360 nan 0.000 0.401 193 V N 3.515 123.419 119.914 -0.018 0.000 2.350 193 V HA 0.347 4.467 4.120 0.000 0.000 0.276 193 V C 0.788 176.886 176.094 0.006 0.000 1.028 193 V CA -0.691 61.610 62.300 0.001 0.000 0.860 193 V CB 1.240 33.065 31.823 0.003 0.000 0.990 193 V HN 0.762 nan 8.190 nan 0.000 0.453 194 G N 3.121 111.928 108.800 0.012 0.000 2.616 194 G HA2 0.341 4.301 3.960 0.000 0.000 0.268 194 G HA3 0.341 4.301 3.960 0.000 0.000 0.268 194 G C 0.663 175.574 174.900 0.018 0.000 1.213 194 G CA -0.062 45.045 45.100 0.012 0.000 0.926 194 G HN 0.904 nan 8.290 nan 0.000 0.523 195 E N -0.620 119.590 120.200 0.016 0.000 2.427 195 E HA -0.072 4.279 4.350 0.000 0.000 0.196 195 E C 1.311 177.923 176.600 0.019 0.000 1.028 195 E CA 0.935 57.347 56.400 0.020 0.000 0.864 195 E CB 0.111 29.821 29.700 0.017 0.000 0.813 195 E HN 0.583 nan 8.360 nan 0.000 0.514 196 E N 1.437 121.648 120.200 0.017 0.000 2.479 196 E HA 0.029 4.379 4.350 0.000 0.000 0.193 196 E C 0.253 176.865 176.600 0.019 0.000 1.049 196 E CA -0.061 56.349 56.400 0.017 0.000 0.870 196 E CB 0.175 29.883 29.700 0.014 0.000 0.944 196 E HN 0.080 nan 8.360 nan 0.000 0.492 197 V N 1.931 121.860 119.914 0.024 0.000 2.408 197 V HA 0.302 4.422 4.120 0.000 0.000 0.267 197 V C 1.353 177.467 176.094 0.032 0.000 1.047 197 V CA 0.382 62.699 62.300 0.029 0.000 0.937 197 V CB 1.236 33.080 31.823 0.034 0.000 0.999 197 V HN 0.343 nan 8.190 nan 0.000 0.472 198 G N 3.531 112.347 108.800 0.027 0.000 2.662 198 G HA2 0.477 4.437 3.960 0.000 0.000 0.212 198 G HA3 0.477 4.437 3.960 0.000 0.000 0.212 198 G C 0.397 175.314 174.900 0.028 0.000 1.141 198 G CA 0.756 45.868 45.100 0.020 0.000 0.797 198 G HN 0.948 nan 8.290 nan 0.000 0.531 199 A N -0.436 122.408 122.820 0.040 0.000 2.488 199 A HA 0.643 4.963 4.320 0.000 0.000 0.298 199 A C -1.593 176.042 177.584 0.085 0.000 1.044 199 A CA -0.363 51.710 52.037 0.061 0.000 0.693 199 A CB 1.961 20.979 19.000 0.029 0.000 1.272 199 A HN 0.292 nan 8.150 nan 0.000 0.402 200 V N 2.356 122.356 119.914 0.144 0.000 2.384 200 V HA 0.515 4.635 4.120 0.000 0.000 0.287 200 V C -0.428 175.799 176.094 0.220 0.000 1.020 200 V CA -0.514 61.887 62.300 0.167 0.000 0.850 200 V CB 1.462 33.389 31.823 0.174 0.000 0.987 200 V HN 0.679 nan 8.190 nan 0.000 0.436 201 V N 5.930 125.913 119.914 0.115 0.000 2.384 201 V HA 0.616 4.736 4.120 0.000 0.000 0.287 201 V C -0.280 175.810 176.094 -0.006 0.000 1.020 201 V CA -0.473 61.861 62.300 0.058 0.000 0.850 201 V CB 1.837 33.668 31.823 0.014 0.000 0.987 201 V HN 0.603 nan 8.190 nan 0.000 0.436 202 V N 4.463 124.362 119.914 -0.025 0.000 2.789 202 V HA 0.489 4.609 4.120 0.000 0.000 0.311 202 V C -0.474 175.549 176.094 -0.117 0.000 1.073 202 V CA -0.648 61.565 62.300 -0.145 0.000 0.921 202 V CB 2.050 33.672 31.823 -0.336 0.000 1.009 202 V HN 0.915 nan 8.190 nan 0.000 0.426 203 Q N 2.957 122.694 119.800 -0.105 0.000 2.282 203 Q HA 0.586 4.926 4.340 0.000 0.000 0.260 203 Q C -1.077 174.878 176.000 -0.074 0.000 0.964 203 Q CA -0.512 55.239 55.803 -0.087 0.000 0.880 203 Q CB 1.602 30.294 28.738 -0.075 0.000 1.286 203 Q HN 0.776 nan 8.270 nan 0.000 0.445 204 N N 4.077 122.733 118.700 -0.074 0.000 2.549 204 N HA 0.417 5.157 4.740 0.000 0.000 0.290 204 N C -2.913 172.533 175.510 -0.107 0.000 1.122 204 N CA -1.375 51.634 53.050 -0.068 0.000 0.885 204 N CB 1.895 40.346 38.487 -0.061 0.000 1.455 204 N HN 0.307 nan 8.380 nan 0.000 0.521 205 P HA 0.148 nan 4.420 nan 0.000 0.269 205 P C -0.574 176.717 177.300 -0.015 0.000 1.215 205 P CA -0.246 62.827 63.100 -0.044 0.000 0.780 205 P CB 0.498 32.192 31.700 -0.010 0.000 0.898 206 N N 1.239 119.951 118.700 0.020 0.000 2.366 206 N HA 0.023 4.763 4.740 0.000 0.000 0.277 206 N C 0.686 176.226 175.510 0.051 0.000 1.275 206 N CA -0.326 52.745 53.050 0.035 0.000 0.964 206 N CB -0.519 38.004 38.487 0.060 0.000 1.167 206 N HN 0.215 nan 8.380 nan 0.000 0.568 207 F N -0.414 119.467 119.950 -0.116 0.000 2.192 207 F HA -0.002 4.525 4.527 0.000 0.000 0.301 207 F C 1.379 177.044 175.800 -0.224 0.000 1.079 207 F CA 1.391 59.263 58.000 -0.213 0.000 1.303 207 F CB -0.196 38.615 39.000 -0.315 0.000 1.024 207 F HN 0.415 nan 8.300 nan 0.000 0.494 208 L N -0.650 120.425 121.223 -0.246 0.000 2.612 208 L HA 0.254 4.594 4.340 0.000 0.000 0.230 208 L C 1.751 178.552 176.870 -0.116 0.000 1.140 208 L CA 0.558 55.232 54.840 -0.276 0.000 0.896 208 L CB -0.907 41.101 42.059 -0.085 0.000 1.065 208 L HN 0.373 nan 8.230 nan 0.000 0.447 209 G N 0.312 109.083 108.800 -0.048 0.000 2.159 209 G HA2 -0.282 3.678 3.960 0.000 0.000 0.256 209 G HA3 -0.282 3.678 3.960 0.000 0.000 0.256 209 G C 0.379 175.406 174.900 0.211 0.000 0.977 209 G CA 0.074 45.232 45.100 0.096 0.000 0.652 209 G HN 0.508 nan 8.290 nan 0.000 0.531 210 A N 0.308 123.216 122.820 0.146 0.000 2.363 210 A HA 0.716 5.036 4.320 0.000 0.000 0.270 210 A C 0.686 178.351 177.584 0.135 0.000 1.121 210 A CA -0.316 51.824 52.037 0.171 0.000 0.800 210 A CB 0.415 19.482 19.000 0.113 0.000 1.052 210 A HN 0.802 nan 8.150 nan 0.000 0.493 211 L N 1.919 123.231 121.223 0.148 0.000 2.367 211 L HA 0.270 4.610 4.340 0.000 0.000 0.275 211 L C 0.533 177.442 176.870 0.064 0.000 1.129 211 L CA -0.131 54.770 54.840 0.100 0.000 0.839 211 L CB 0.612 42.745 42.059 0.123 0.000 1.133 211 L HN 0.793 nan 8.230 nan 0.000 0.453 212 E N 1.539 121.756 120.200 0.027 0.000 2.250 212 E HA 0.145 4.495 4.350 0.000 0.000 0.269 212 E C -0.979 175.619 176.600 -0.003 0.000 1.018 212 E CA -0.560 55.855 56.400 0.024 0.000 0.873 212 E CB 1.302 30.989 29.700 -0.022 0.000 1.134 212 E HN 0.396 nan 8.360 nan 0.000 0.403 213 D N 2.710 123.143 120.400 0.055 0.000 2.456 213 D HA 0.128 4.768 4.640 0.000 0.000 0.219 213 D C 0.454 176.770 176.300 0.026 0.000 1.126 213 D CA 0.043 54.043 54.000 -0.001 0.000 0.890 213 D CB 0.285 41.105 40.800 0.033 0.000 1.025 213 D HN 0.448 nan 8.370 nan 0.000 0.511 214 L N 2.889 123.945 121.223 -0.278 0.000 2.109 214 L HA 0.110 4.450 4.340 0.000 0.000 0.207 214 L C 2.469 179.275 176.870 -0.107 0.000 1.086 214 L CA 0.813 55.529 54.840 -0.207 0.000 0.760 214 L CB -0.553 41.210 42.059 -0.493 0.000 0.910 214 L HN 0.510 nan 8.230 nan 0.000 0.437 215 G N 1.773 110.498 108.800 -0.126 0.000 2.672 215 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 215 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 215 G C -0.429 174.445 174.900 -0.044 0.000 1.238 215 G CA 1.239 46.391 45.100 0.086 0.000 0.791 215 G HN 0.306 nan 8.290 nan 0.000 0.606 216 P HA -0.133 nan 4.420 nan 0.000 0.217 216 P C 1.483 178.573 177.300 -0.350 0.000 1.148 216 P CA 1.091 64.060 63.100 -0.218 0.000 0.828 216 P CB -0.236 31.305 31.700 -0.264 0.000 0.783 217 F N 0.772 120.488 119.950 -0.391 0.000 2.186 217 F HA -0.075 4.452 4.527 0.000 0.000 0.299 217 F C 2.720 178.018 175.800 -0.836 0.000 1.090 217 F CA 1.433 59.066 58.000 -0.611 0.000 1.307 217 F CB -1.271 37.241 39.000 -0.814 0.000 1.019 217 F HN -0.063 nan 8.300 nan 0.000 0.489 218 A N -0.093 122.312 122.820 -0.692 0.000 1.898 218 A HA -0.179 4.141 4.320 0.000 0.000 0.216 218 A C 2.099 179.372 177.584 -0.519 0.000 1.181 218 A CA 1.712 53.374 52.037 -0.624 0.000 0.620 218 A CB -0.717 18.193 19.000 -0.150 0.000 0.819 218 A HN 0.425 nan 8.150 nan 0.000 0.442 219 E N -0.130 119.916 120.200 -0.257 0.000 2.077 219 E HA -0.115 4.235 4.350 0.000 0.000 0.193 219 E C 2.296 178.821 176.600 -0.125 0.000 0.989 219 E CA 0.976 57.303 56.400 -0.121 0.000 0.800 219 E CB -0.304 29.353 29.700 -0.071 0.000 0.746 219 E HN 0.612 nan 8.360 nan 0.000 0.452 220 A N 1.489 124.197 122.820 -0.186 0.000 1.933 220 A HA -0.086 4.234 4.320 0.000 0.000 0.218 220 A C 2.365 179.892 177.584 -0.095 0.000 1.175 220 A CA 1.619 53.570 52.037 -0.143 0.000 0.628 220 A CB -0.539 18.341 19.000 -0.200 0.000 0.814 220 A HN 0.288 nan 8.150 nan 0.000 0.444 221 A N -0.570 122.160 122.820 -0.151 0.000 1.855 221 A HA -0.146 4.174 4.320 0.000 0.000 0.215 221 A C 1.921 179.551 177.584 0.076 0.000 1.191 221 A CA 1.560 53.565 52.037 -0.053 0.000 0.613 221 A CB -1.020 17.930 19.000 -0.083 0.000 0.829 221 A HN 0.744 nan 8.150 nan 0.000 0.442 222 H N -1.108 117.990 119.070 0.048 0.000 2.423 222 H HA -0.035 4.521 4.556 0.000 0.000 0.297 222 H C 2.312 177.662 175.328 0.037 0.000 1.075 222 H CA 0.254 56.338 56.048 0.060 0.000 1.342 222 H CB -0.031 29.775 29.762 0.073 0.000 1.395 222 H HN 0.546 nan 8.280 nan 0.000 0.530 223 G N 0.398 109.274 108.800 0.126 0.000 2.448 223 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 223 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 223 G C 1.621 176.554 174.900 0.056 0.000 1.127 223 G CA 0.708 45.849 45.100 0.069 0.000 0.766 223 G HN 0.473 nan 8.290 nan 0.000 0.552 224 A N -0.891 121.964 122.820 0.058 0.000 2.267 224 A HA 0.512 4.832 4.320 0.000 0.000 0.213 224 A C 1.889 179.508 177.584 0.059 0.000 1.192 224 A CA 1.174 53.239 52.037 0.046 0.000 0.851 224 A CB -0.093 18.927 19.000 0.033 0.000 0.881 224 A HN 1.524 nan 8.150 nan 0.000 0.494 225 G N -1.933 106.919 108.800 0.086 0.000 2.141 225 G HA2 0.144 4.104 3.960 0.000 0.000 0.231 225 G HA3 0.144 4.104 3.960 0.000 0.000 0.231 225 G C 0.346 175.300 174.900 0.090 0.000 0.984 225 G CA 0.270 45.419 45.100 0.082 0.000 0.660 225 G HN 1.518 nan 8.290 nan 0.000 0.525 226 A N -0.344 122.544 122.820 0.114 0.000 2.269 226 A HA 0.895 5.215 4.320 0.000 0.000 0.319 226 A C 0.346 178.043 177.584 0.188 0.000 1.110 226 A CA -0.548 51.555 52.037 0.110 0.000 0.847 226 A CB 0.893 19.945 19.000 0.087 0.000 1.161 226 A HN 0.729 nan 8.150 nan 0.000 0.497 227 L N 0.513 121.823 121.223 0.146 0.000 2.360 227 L HA 0.452 4.792 4.340 0.000 0.000 0.271 227 L C -0.682 176.346 176.870 0.263 0.000 1.057 227 L CA -0.494 54.469 54.840 0.206 0.000 0.803 227 L CB 1.166 43.243 42.059 0.029 0.000 1.207 227 L HN 0.716 nan 8.230 nan 0.000 0.445 228 F N 2.378 122.397 119.950 0.116 0.000 2.388 228 F HA 0.494 5.021 4.527 0.000 0.000 0.358 228 F C -0.535 175.296 175.800 0.052 0.000 1.122 228 F CA -1.116 56.914 58.000 0.050 0.000 1.056 228 F CB 1.148 40.151 39.000 0.004 0.000 1.155 228 F HN -0.048 nan 8.300 nan 0.000 0.461 229 V N 6.640 126.499 119.914 -0.090 0.000 2.347 229 V HA 0.703 4.823 4.120 0.000 0.000 0.280 229 V C 0.114 175.934 176.094 -0.456 0.000 1.021 229 V CA -0.711 61.436 62.300 -0.255 0.000 0.847 229 V CB 0.742 32.510 31.823 -0.092 0.000 0.990 229 V HN 0.975 nan 8.190 nan 0.000 0.444 230 A N 5.003 127.496 122.820 -0.545 0.000 2.305 230 A HA 0.820 5.140 4.320 0.000 0.000 0.322 230 A C -0.539 176.923 177.584 -0.202 0.000 1.187 230 A CA -0.514 51.259 52.037 -0.439 0.000 0.825 230 A CB 1.314 20.026 19.000 -0.480 0.000 1.164 230 A HN 0.648 nan 8.150 nan 0.000 0.498 231 V N 1.710 121.536 119.914 -0.147 0.000 2.370 231 V HA 0.683 4.803 4.120 0.000 0.000 0.283 231 V C 0.354 176.400 176.094 -0.079 0.000 1.023 231 V CA 0.076 62.312 62.300 -0.106 0.000 0.857 231 V CB 0.831 32.600 31.823 -0.090 0.000 0.985 231 V HN 1.226 nan 8.190 nan 0.000 0.443 232 A N 3.334 126.138 122.820 -0.028 0.000 2.455 232 A HA 0.561 4.881 4.320 0.000 0.000 0.300 232 A C -0.698 176.936 177.584 0.082 0.000 1.040 232 A CA -0.627 51.420 52.037 0.016 0.000 0.697 232 A CB 1.358 20.387 19.000 0.048 0.000 1.265 232 A HN 0.750 nan 8.150 nan 0.000 0.407 233 D N 4.359 124.763 120.400 0.006 0.000 2.358 233 D HA 0.106 4.746 4.640 0.000 0.000 0.258 233 D C -1.138 175.194 176.300 0.052 0.000 1.223 233 D CA -1.225 52.792 54.000 0.028 0.000 0.886 233 D CB 1.285 42.077 40.800 -0.014 0.000 1.120 233 D HN 0.254 nan 8.370 nan 0.000 0.482 234 P HA -0.216 nan 4.420 nan 0.000 0.216 234 P C 1.684 178.978 177.300 -0.010 0.000 1.150 234 P CA 0.580 63.693 63.100 0.021 0.000 0.843 234 P CB 0.311 32.016 31.700 0.009 0.000 0.787 235 L N 1.000 122.221 121.223 -0.004 0.000 2.093 235 L HA -0.107 4.233 4.340 0.000 0.000 0.208 235 L C 2.643 179.570 176.870 0.094 0.000 1.085 235 L CA 2.439 57.296 54.840 0.029 0.000 0.755 235 L CB -1.560 40.486 42.059 -0.021 0.000 0.904 235 L HN 0.038 nan 8.230 nan 0.000 0.435 236 S N -0.918 114.797 115.700 0.025 0.000 2.399 236 S HA -0.164 4.306 4.470 0.000 0.000 0.231 236 S C 1.822 176.390 174.600 -0.052 0.000 1.022 236 S CA 1.113 59.227 58.200 -0.143 0.000 0.983 236 S CB -0.798 62.002 63.200 -0.666 0.000 0.803 236 S HN 0.343 nan 8.310 nan 0.000 0.480 237 L N 2.105 123.308 121.223 -0.034 0.000 2.633 237 L HA 0.239 4.579 4.340 0.000 0.000 0.235 237 L C 2.371 179.249 176.870 0.014 0.000 1.163 237 L CA 0.803 55.633 54.840 -0.017 0.000 0.859 237 L CB -1.443 40.590 42.059 -0.042 0.000 0.973 237 L HN 0.544 nan 8.230 nan 0.000 0.451 238 G N -2.058 106.775 108.800 0.055 0.000 2.572 238 G HA2 -0.010 3.950 3.960 0.000 0.000 0.216 238 G HA3 -0.010 3.950 3.960 0.000 0.000 0.216 238 G C 1.423 176.370 174.900 0.078 0.000 1.133 238 G CA 0.974 46.111 45.100 0.062 0.000 0.791 238 G HN 0.304 nan 8.290 nan 0.000 0.538 239 V N -0.607 119.381 119.914 0.124 0.000 3.408 239 V HA 0.456 4.576 4.120 0.000 0.000 0.263 239 V C 0.441 176.613 176.094 0.130 0.000 1.503 239 V CA -0.128 62.251 62.300 0.132 0.000 1.046 239 V CB 0.132 32.063 31.823 0.180 0.000 0.851 239 V HN 0.100 nan 8.190 nan 0.000 0.435 240 L N 1.779 123.076 121.223 0.123 0.000 2.375 240 L HA 0.420 4.760 4.340 0.000 0.000 0.271 240 L C 0.327 177.235 176.870 0.064 0.000 1.107 240 L CA -0.222 54.677 54.840 0.098 0.000 0.806 240 L CB 0.868 42.943 42.059 0.028 0.000 1.146 240 L HN 0.067 nan 8.230 nan 0.000 0.447 241 K N 4.353 124.799 120.400 0.077 0.000 2.436 241 K HA 0.105 4.425 4.320 0.000 0.000 0.282 241 K C -2.131 174.491 176.600 0.037 0.000 1.044 241 K CA -1.214 55.056 56.287 -0.029 0.000 1.028 241 K CB 0.488 32.878 32.500 -0.184 0.000 0.919 241 K HN 0.259 nan 8.250 nan 0.000 0.474 242 P HA 0.016 nan 4.420 nan 0.000 0.272 242 P C -2.249 175.123 177.300 0.120 0.000 1.223 242 P CA -1.284 61.839 63.100 0.038 0.000 0.784 242 P CB 0.747 32.439 31.700 -0.014 0.000 0.923 243 P HA -0.203 nan 4.420 nan 0.000 0.216 243 P C 1.674 179.080 177.300 0.177 0.000 1.150 243 P CA 1.947 65.174 63.100 0.212 0.000 0.843 243 P CB -0.657 31.056 31.700 0.021 0.000 0.787 244 G N 0.733 109.586 108.800 0.087 0.000 2.440 244 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 244 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 244 G C 1.840 176.787 174.900 0.077 0.000 1.154 244 G CA 1.132 46.278 45.100 0.077 0.000 0.767 244 G HN 0.396 nan 8.290 nan 0.000 0.552 245 A N -0.461 122.362 122.820 0.005 0.000 2.067 245 A HA 0.113 4.433 4.320 0.000 0.000 0.219 245 A C 1.985 179.525 177.584 -0.073 0.000 1.158 245 A CA 0.989 52.976 52.037 -0.083 0.000 0.661 245 A CB -0.403 18.471 19.000 -0.212 0.000 0.801 245 A HN 0.421 nan 8.150 nan 0.000 0.452 246 Y N -0.900 119.473 120.300 0.122 0.000 2.490 246 Y HA 0.338 4.888 4.550 0.000 0.000 0.281 246 Y C 1.782 177.812 175.900 0.216 0.000 1.174 246 Y CA 0.127 58.326 58.100 0.164 0.000 1.295 246 Y CB 0.031 38.620 38.460 0.216 0.000 1.062 246 Y HN 0.432 nan 8.280 nan 0.000 0.522 247 G N -0.268 108.734 108.800 0.336 0.000 2.131 247 G HA2 -0.155 3.805 3.960 0.000 0.000 0.223 247 G HA3 -0.155 3.805 3.960 0.000 0.000 0.223 247 G C 0.324 175.507 174.900 0.471 0.000 0.990 247 G CA -0.172 45.150 45.100 0.370 0.000 0.671 247 G HN 0.585 nan 8.290 nan 0.000 0.521 248 A N -0.052 122.995 122.820 0.378 0.000 2.462 248 A HA 0.540 4.860 4.320 0.000 0.000 0.243 248 A C 1.169 178.878 177.584 0.207 0.000 1.076 248 A CA 0.826 52.978 52.037 0.191 0.000 0.773 248 A CB 0.337 19.233 19.000 -0.174 0.000 1.010 248 A HN 0.243 nan 8.150 nan 0.000 0.493 249 D N 0.628 121.165 120.400 0.229 0.000 2.301 249 D HA 0.165 4.805 4.640 0.000 0.000 0.206 249 D C 0.094 176.519 176.300 0.208 0.000 0.979 249 D CA 1.245 55.429 54.000 0.305 0.000 0.874 249 D CB 0.284 41.312 40.800 0.379 0.000 0.968 249 D HN 0.537 nan 8.370 nan 0.000 0.510 250 I N 0.354 120.959 120.570 0.058 0.000 2.656 250 I HA 0.445 4.615 4.170 0.000 0.000 0.292 250 I C -1.118 174.969 176.117 -0.051 0.000 1.144 250 I CA -0.926 60.389 61.300 0.023 0.000 1.038 250 I CB 2.550 40.546 38.000 -0.007 0.000 1.244 250 I HN -0.244 nan 8.210 nan 0.000 0.420 251 A N 5.809 128.640 122.820 0.017 0.000 2.356 251 A HA 0.912 5.232 4.320 0.000 0.000 0.310 251 A C -0.830 176.809 177.584 0.092 0.000 1.075 251 A CA -0.574 51.491 52.037 0.047 0.000 0.746 251 A CB 1.673 20.750 19.000 0.128 0.000 1.221 251 A HN 0.658 nan 8.150 nan 0.000 0.443 252 V N -0.663 119.182 119.914 -0.116 0.000 3.130 252 V HA 1.077 5.197 4.120 0.000 0.000 0.310 252 V C 0.001 175.539 176.094 -0.926 0.000 1.158 252 V CA -0.107 61.864 62.300 -0.549 0.000 1.029 252 V CB 1.407 33.024 31.823 -0.343 0.000 1.057 252 V HN 2.217 nan 8.190 nan 0.000 0.436 253 G N 0.248 108.110 108.800 -1.563 0.000 2.368 253 G HA2 0.390 4.350 3.960 0.000 0.000 0.293 253 G HA3 0.390 4.350 3.960 0.000 0.000 0.293 253 G C -2.262 172.230 174.900 -0.681 0.000 1.467 253 G CA -0.386 44.167 45.100 -0.911 0.000 0.804 253 G HN 0.968 nan 8.290 nan 0.000 0.535 254 D N -0.484 119.777 120.400 -0.232 0.000 2.210 254 D HA 0.477 5.117 4.640 0.000 0.000 0.249 254 D C 1.178 177.296 176.300 -0.304 0.000 1.062 254 D CA 0.196 54.051 54.000 -0.241 0.000 0.891 254 D CB 1.805 42.550 40.800 -0.091 0.000 1.186 254 D HN 0.556 nan 8.370 nan 0.000 0.432 255 G N 2.169 110.520 108.800 -0.749 0.000 3.284 255 G HA2 -0.136 3.825 3.960 0.000 0.000 0.236 255 G HA3 -0.136 3.825 3.960 0.000 0.000 0.236 255 G C 1.074 175.713 174.900 -0.435 0.000 1.158 255 G CA -0.118 44.456 45.100 -0.877 0.000 0.774 255 G HN 0.448 nan 8.290 nan 0.000 0.545 256 Q N 1.883 121.440 119.800 -0.404 0.000 2.135 256 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 256 Q C 2.482 178.319 176.000 -0.273 0.000 0.981 256 Q CA 1.965 57.496 55.803 -0.454 0.000 0.856 256 Q CB -0.355 27.912 28.738 -0.786 0.000 0.902 256 Q HN 0.550 nan 8.270 nan 0.000 0.425 257 S N -0.455 115.116 115.700 -0.216 0.000 2.547 257 S HA -0.028 4.442 4.470 0.000 0.000 0.235 257 S C 1.331 175.666 174.600 -0.441 0.000 0.980 257 S CA 0.185 58.245 58.200 -0.232 0.000 0.941 257 S CB -0.298 62.806 63.200 -0.159 0.000 0.763 257 S HN 0.381 nan 8.310 nan 0.000 0.532 258 L N 2.114 123.089 121.223 -0.414 0.000 2.934 258 L HA 0.361 4.701 4.340 0.000 0.000 0.233 258 L C 1.433 177.653 176.870 -1.083 0.000 1.358 258 L CA 0.028 54.419 54.840 -0.748 0.000 1.233 258 L CB -0.910 41.023 42.059 -0.210 0.000 1.594 258 L HN 0.530 nan 8.230 nan 0.000 0.439 259 G N 0.345 108.546 108.800 -0.998 0.000 2.168 259 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 259 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 259 G C -0.114 174.688 174.900 -0.164 0.000 0.997 259 G CA -0.163 44.650 45.100 -0.478 0.000 0.708 259 G HN 0.274 nan 8.290 nan 0.000 0.520 260 L N 1.942 123.085 121.223 -0.133 0.000 2.326 260 L HA 0.494 4.834 4.340 0.000 0.000 0.278 260 L C -1.366 175.520 176.870 0.026 0.000 1.092 260 L CA -2.241 52.596 54.840 -0.005 0.000 0.810 260 L CB 0.813 42.903 42.059 0.051 0.000 1.153 260 L HN -0.050 nan 8.230 nan 0.000 0.439 261 P HA 0.085 nan 4.420 nan 0.000 0.268 261 P C 0.663 178.065 177.300 0.169 0.000 1.204 261 P CA -0.133 63.022 63.100 0.091 0.000 0.768 261 P CB 0.600 32.346 31.700 0.077 0.000 0.842 262 M N 2.121 121.804 119.600 0.139 0.000 2.106 262 M HA -0.104 4.376 4.480 0.000 0.000 0.259 262 M C 1.596 178.065 176.300 0.281 0.000 1.068 262 M CA 1.903 57.320 55.300 0.195 0.000 1.100 262 M CB -1.257 31.405 32.600 0.103 0.000 1.351 262 M HN 0.686 nan 8.290 nan 0.000 0.404 263 G N 0.630 109.540 108.800 0.183 0.000 2.422 263 G HA2 -0.299 3.661 3.960 0.000 0.000 0.301 263 G HA3 -0.299 3.661 3.960 0.000 0.000 0.301 263 G C 0.214 175.237 174.900 0.206 0.000 0.981 263 G CA 0.323 45.513 45.100 0.150 0.000 0.994 263 G HN 0.613 nan 8.290 nan 0.000 0.514 264 F N -1.802 118.164 119.950 0.027 0.000 3.105 264 F HA -0.216 4.311 4.527 0.000 0.000 0.280 264 F C 1.680 177.488 175.800 0.012 0.000 0.894 264 F CA 2.594 60.601 58.000 0.013 0.000 0.992 264 F CB -0.994 38.005 39.000 -0.003 0.000 1.047 264 F HN 1.858 nan 8.300 nan 0.000 0.607 265 G N -1.075 107.717 108.800 -0.013 0.000 2.192 265 G HA2 0.393 4.353 3.960 0.000 0.000 0.193 265 G HA3 0.393 4.353 3.960 0.000 0.000 0.193 265 G C 0.950 175.714 174.900 -0.226 0.000 0.999 265 G CA 0.417 45.463 45.100 -0.090 0.000 0.659 265 G HN 1.999 nan 8.290 nan 0.000 0.503 266 G N -0.640 107.940 108.800 -0.367 0.000 2.328 266 G HA2 0.653 4.613 3.960 0.000 0.000 0.299 266 G HA3 0.653 4.613 3.960 0.000 0.000 0.299 266 G C -3.227 171.491 174.900 -0.303 0.000 1.435 266 G CA 0.237 44.984 45.100 -0.588 0.000 0.865 266 G HN 0.670 nan 8.290 nan 0.000 0.601 267 P HA 0.606 nan 4.420 nan 0.000 0.284 267 P C -0.659 176.469 177.300 -0.286 0.000 1.258 267 P CA -0.149 62.786 63.100 -0.276 0.000 0.824 267 P CB 2.025 33.670 31.700 -0.090 0.000 1.038 268 H N 0.046 119.158 119.070 0.071 0.000 4.179 268 H HA 0.689 5.245 4.556 0.000 0.000 0.413 268 H C -0.622 174.853 175.328 0.245 0.000 1.368 268 H CA -0.484 55.634 56.048 0.117 0.000 1.046 268 H CB 0.799 30.557 29.762 -0.007 0.000 0.902 268 H HN 0.495 nan 8.280 nan 0.000 0.774 269 F N -1.295 118.759 119.950 0.173 0.000 2.744 269 F HA 0.660 5.187 4.527 0.000 0.000 0.311 269 F C -0.957 174.901 175.800 0.097 0.000 1.144 269 F CA -0.944 57.113 58.000 0.095 0.000 0.938 269 F CB 0.921 39.951 39.000 0.049 0.000 1.292 269 F HN 0.575 nan 8.300 nan 0.000 0.444 270 G N 0.746 109.625 108.800 0.131 0.000 2.454 270 G HA2 0.708 4.668 3.960 0.000 0.000 0.329 270 G HA3 0.708 4.668 3.960 0.000 0.000 0.329 270 G C -1.979 173.056 174.900 0.226 0.000 1.177 270 G CA -0.937 44.132 45.100 -0.052 0.000 0.951 270 G HN 1.041 nan 8.290 nan 0.000 0.485 271 F N -0.233 119.777 119.950 0.100 0.000 2.577 271 F HA 0.849 5.376 4.527 0.000 0.000 0.318 271 F C -1.430 174.406 175.800 0.060 0.000 1.065 271 F CA -2.062 56.049 58.000 0.183 0.000 0.929 271 F CB 2.202 41.340 39.000 0.230 0.000 1.237 271 F HN 0.461 nan 8.300 nan 0.000 0.468 272 L N 3.070 124.480 121.223 0.311 0.000 2.439 272 L HA 0.905 5.245 4.340 0.000 0.000 0.270 272 L C -1.393 175.595 176.870 0.196 0.000 0.972 272 L CA -1.059 53.877 54.840 0.160 0.000 0.836 272 L CB 1.052 43.139 42.059 0.047 0.000 1.255 272 L HN 1.126 nan 8.230 nan 0.000 0.404 273 A N 3.107 126.042 122.820 0.192 0.000 2.401 273 A HA 0.943 5.263 4.320 0.000 0.000 0.310 273 A C -0.450 177.194 177.584 0.100 0.000 1.075 273 A CA 0.035 52.141 52.037 0.115 0.000 0.746 273 A CB 1.913 20.964 19.000 0.085 0.000 1.277 273 A HN 0.841 nan 8.150 nan 0.000 0.425 274 T N -0.137 114.471 114.554 0.091 0.000 2.649 274 T HA 0.491 4.841 4.350 0.000 0.000 0.305 274 T C -1.320 173.438 174.700 0.096 0.000 1.409 274 T CA -0.456 61.730 62.100 0.144 0.000 1.021 274 T CB 0.723 69.728 68.868 0.229 0.000 1.726 274 T HN 0.572 nan 8.240 nan 0.000 0.475 275 K N 1.806 122.268 120.400 0.104 0.000 2.218 275 K HA 0.412 4.732 4.320 0.000 0.000 0.276 275 K C 1.013 177.520 176.600 -0.155 0.000 1.022 275 K CA -0.276 55.929 56.287 -0.137 0.000 0.946 275 K CB 0.977 33.181 32.500 -0.495 0.000 1.000 275 K HN 0.536 nan 8.250 nan 0.000 0.468 276 K N 1.997 122.315 120.400 -0.135 0.000 2.211 276 K HA -0.168 4.153 4.320 0.000 0.000 0.204 276 K C 1.360 177.888 176.600 -0.121 0.000 1.047 276 K CA 1.534 57.770 56.287 -0.085 0.000 0.935 276 K CB 0.002 32.464 32.500 -0.062 0.000 0.728 276 K HN 0.663 nan 8.250 nan 0.000 0.452 277 A N 0.167 122.819 122.820 -0.280 0.000 2.070 277 A HA -0.083 4.237 4.320 0.000 0.000 0.220 277 A C 1.120 178.602 177.584 -0.169 0.000 1.159 277 A CA 0.938 52.796 52.037 -0.298 0.000 0.656 277 A CB -0.367 18.346 19.000 -0.478 0.000 0.800 277 A HN 0.335 nan 8.150 nan 0.000 0.453 278 F N -1.607 118.354 119.950 0.017 0.000 2.660 278 F HA 0.189 4.716 4.527 0.000 0.000 0.302 278 F C 1.788 177.601 175.800 0.022 0.000 1.103 278 F CA -0.774 57.238 58.000 0.020 0.000 1.340 278 F CB -0.790 38.222 39.000 0.021 0.000 1.048 278 F HN 0.056 nan 8.300 nan 0.000 0.551 279 V N 1.062 121.064 119.914 0.146 0.000 2.453 279 V HA -0.266 3.854 4.120 0.000 0.000 0.252 279 V C 2.806 178.959 176.094 0.098 0.000 1.068 279 V CA 1.958 64.320 62.300 0.104 0.000 1.070 279 V CB -0.273 31.588 31.823 0.064 0.000 0.664 279 V HN 0.350 nan 8.190 nan 0.000 0.461 280 R N -0.757 119.803 120.500 0.099 0.000 2.237 280 R HA -0.074 4.266 4.340 0.000 0.000 0.219 280 R C 1.764 178.109 176.300 0.075 0.000 1.080 280 R CA 1.118 57.266 56.100 0.080 0.000 0.995 280 R CB -0.035 30.308 30.300 0.073 0.000 0.875 280 R HN 0.546 nan 8.270 nan 0.000 0.462 281 Q N 0.125 119.979 119.800 0.089 0.000 2.319 281 Q HA 0.083 4.423 4.340 0.000 0.000 0.209 281 Q C 0.056 176.088 176.000 0.054 0.000 0.884 281 Q CA -0.238 55.601 55.803 0.061 0.000 0.938 281 Q CB 0.254 29.018 28.738 0.044 0.000 1.098 281 Q HN 0.114 nan 8.270 nan 0.000 0.517 282 L N 4.107 125.374 121.223 0.072 0.000 2.513 282 L HA 0.111 4.451 4.340 0.000 0.000 0.272 282 L C -2.253 174.644 176.870 0.044 0.000 1.187 282 L CA -0.867 54.010 54.840 0.062 0.000 0.895 282 L CB 0.444 42.548 42.059 0.076 0.000 1.147 282 L HN -0.071 nan 8.230 nan 0.000 0.483 283 P HA 0.513 nan 4.420 nan 0.000 0.283 283 P C -0.287 177.020 177.300 0.011 0.000 1.271 283 P CA 0.073 63.182 63.100 0.015 0.000 0.841 283 P CB 1.511 33.207 31.700 -0.006 0.000 1.122 284 G N 0.561 109.365 108.800 0.007 0.000 2.760 284 G HA2 -0.169 3.791 3.960 0.000 0.000 0.246 284 G HA3 -0.169 3.791 3.960 0.000 0.000 0.246 284 G C -0.672 174.245 174.900 0.029 0.000 1.359 284 G CA -0.769 44.332 45.100 0.001 0.000 0.861 284 G HN 0.690 nan 8.290 nan 0.000 0.541 285 R N -1.041 119.471 120.500 0.019 0.000 2.539 285 R HA 0.591 4.931 4.340 0.000 0.000 0.275 285 R C 0.041 176.371 176.300 0.050 0.000 1.077 285 R CA -0.213 55.905 56.100 0.029 0.000 1.097 285 R CB 0.669 30.960 30.300 -0.015 0.000 1.018 285 R HN 0.494 nan 8.270 nan 0.000 0.483 286 L N 2.595 123.858 121.223 0.068 0.000 2.438 286 L HA 0.385 4.725 4.340 0.000 0.000 0.270 286 L C -1.188 175.750 176.870 0.114 0.000 0.972 286 L CA -0.928 53.967 54.840 0.092 0.000 0.831 286 L CB 2.279 44.392 42.059 0.091 0.000 1.273 286 L HN 0.341 nan 8.230 nan 0.000 0.405 287 V N 2.804 122.812 119.914 0.157 0.000 2.472 287 V HA 0.495 4.615 4.120 0.000 0.000 0.290 287 V C 0.083 176.369 176.094 0.320 0.000 1.037 287 V CA -0.246 62.183 62.300 0.215 0.000 0.908 287 V CB 1.767 33.730 31.823 0.233 0.000 0.985 287 V HN 0.779 nan 8.190 nan 0.000 0.454 288 S N 3.050 118.902 115.700 0.253 0.000 2.536 288 S HA 0.502 4.972 4.470 0.000 0.000 0.298 288 S C -0.591 174.065 174.600 0.093 0.000 1.083 288 S CA -0.665 57.672 58.200 0.228 0.000 0.995 288 S CB 1.699 64.978 63.200 0.132 0.000 1.058 288 S HN 0.866 nan 8.310 nan 0.000 0.488 289 E N 1.295 121.462 120.200 -0.055 0.000 2.349 289 E HA 0.505 4.855 4.350 0.000 0.000 0.265 289 E C -0.128 176.300 176.600 -0.286 0.000 1.064 289 E CA -0.119 56.024 56.400 -0.428 0.000 0.886 289 E CB 1.171 30.583 29.700 -0.480 0.000 1.036 289 E HN 0.662 nan 8.360 nan 0.000 0.413 290 T N 1.410 115.726 114.554 -0.396 0.000 2.644 290 T HA 0.418 4.768 4.350 0.000 0.000 0.288 290 T C -1.824 172.720 174.700 -0.260 0.000 1.332 290 T CA -0.328 61.632 62.100 -0.234 0.000 1.077 290 T CB 1.084 69.866 68.868 -0.145 0.000 1.799 290 T HN 0.299 nan 8.240 nan 0.000 0.451 291 V N 1.735 121.545 119.914 -0.172 0.000 3.147 291 V HA 0.614 4.734 4.120 0.000 0.000 0.306 291 V C -1.443 174.587 176.094 -0.105 0.000 1.209 291 V CA -0.428 61.782 62.300 -0.150 0.000 1.023 291 V CB 2.220 33.976 31.823 -0.112 0.000 1.059 291 V HN 1.125 nan 8.190 nan 0.000 0.435 292 D N 2.288 122.634 120.400 -0.090 0.000 2.478 292 D HA 0.157 4.797 4.640 0.000 0.000 0.263 292 D C 1.085 177.358 176.300 -0.045 0.000 1.153 292 D CA -0.049 53.915 54.000 -0.060 0.000 1.038 292 D CB 1.428 42.196 40.800 -0.052 0.000 1.120 292 D HN 0.259 nan 8.370 nan 0.000 0.564 293 V N -0.426 119.469 119.914 -0.032 0.000 2.944 293 V HA -0.184 3.936 4.120 0.000 0.000 0.265 293 V C 1.220 177.299 176.094 -0.024 0.000 1.125 293 V CA 1.955 64.240 62.300 -0.025 0.000 1.145 293 V CB -0.663 31.150 31.823 -0.017 0.000 0.725 293 V HN 0.552 nan 8.190 nan 0.000 0.510 294 E N -1.292 118.891 120.200 -0.028 0.000 2.603 294 E HA 0.327 4.677 4.350 0.000 0.000 0.211 294 E C 1.276 177.857 176.600 -0.031 0.000 0.995 294 E CA 0.478 56.862 56.400 -0.026 0.000 0.990 294 E CB 0.662 30.349 29.700 -0.022 0.000 1.036 294 E HN 0.602 nan 8.360 nan 0.000 0.475 295 G N 2.219 110.995 108.800 -0.040 0.000 2.176 295 G HA2 -0.313 3.647 3.960 0.000 0.000 0.253 295 G HA3 -0.313 3.647 3.960 0.000 0.000 0.253 295 G C 0.243 175.107 174.900 -0.060 0.000 0.979 295 G CA -0.171 44.900 45.100 -0.048 0.000 0.641 295 G HN 0.162 nan 8.290 nan 0.000 0.530 296 R N 0.262 120.725 120.500 -0.062 0.000 2.543 296 R HA 0.374 4.714 4.340 0.000 0.000 0.277 296 R C 0.964 177.193 176.300 -0.118 0.000 1.074 296 R CA -0.503 55.554 56.100 -0.072 0.000 1.076 296 R CB 0.603 30.870 30.300 -0.055 0.000 0.993 296 R HN 0.365 nan 8.270 nan 0.000 0.459 297 R N 1.136 121.552 120.500 -0.141 0.000 2.489 297 R HA 0.142 4.482 4.340 0.000 0.000 0.287 297 R C -0.425 175.673 176.300 -0.337 0.000 1.053 297 R CA 0.393 56.339 56.100 -0.256 0.000 1.036 297 R CB 0.467 30.629 30.300 -0.229 0.000 0.966 297 R HN 0.812 nan 8.270 nan 0.000 0.432 298 G N 2.849 111.336 108.800 -0.522 0.000 2.672 298 G HA2 0.590 4.550 3.960 0.000 0.000 0.292 298 G HA3 0.590 4.550 3.960 0.000 0.000 0.292 298 G C -1.754 172.664 174.900 -0.803 0.000 1.375 298 G CA -0.696 44.115 45.100 -0.480 0.000 0.890 298 G HN 0.423 nan 8.290 nan 0.000 0.476 299 F N -0.159 119.721 119.950 -0.117 0.000 2.546 299 F HA 0.795 5.322 4.527 0.000 0.000 0.320 299 F C 0.147 175.910 175.800 -0.061 0.000 1.076 299 F CA -0.849 57.070 58.000 -0.135 0.000 0.928 299 F CB 2.568 41.478 39.000 -0.150 0.000 1.189 299 F HN 0.394 nan 8.300 nan 0.000 0.465 300 I N 2.085 122.733 120.570 0.130 0.000 2.984 300 I HA 0.349 4.519 4.170 0.000 0.000 0.303 300 I C -1.666 174.509 176.117 0.097 0.000 1.381 300 I CA -0.970 60.383 61.300 0.087 0.000 0.988 300 I CB 1.474 39.501 38.000 0.045 0.000 1.307 300 I HN 0.256 nan 8.210 nan 0.000 0.460 301 L N 3.579 124.851 121.223 0.081 0.000 2.461 301 L HA 0.423 4.763 4.340 0.000 0.000 0.272 301 L C 0.384 177.311 176.870 0.096 0.000 1.197 301 L CA 0.828 55.718 54.840 0.084 0.000 0.836 301 L CB 0.597 42.703 42.059 0.079 0.000 1.105 301 L HN 0.702 nan 8.230 nan 0.000 0.477 302 T N 2.122 116.734 114.554 0.097 0.000 2.812 302 T HA 0.491 4.841 4.350 0.000 0.000 0.294 302 T C -0.020 174.733 174.700 0.089 0.000 1.159 302 T CA -0.660 61.494 62.100 0.090 0.000 1.008 302 T CB 0.538 69.457 68.868 0.086 0.000 1.289 302 T HN 0.460 nan 8.240 nan 0.000 0.514 303 L N 1.884 123.154 121.223 0.079 0.000 3.829 303 L HA -0.230 4.110 4.340 0.000 0.000 0.440 303 L C 1.509 178.428 176.870 0.082 0.000 1.192 303 L CA 0.466 55.350 54.840 0.074 0.000 0.848 303 L CB -1.074 41.028 42.059 0.070 0.000 1.744 303 L HN 0.792 nan 8.230 nan 0.000 0.920 304 Q N -0.093 119.764 119.800 0.096 0.000 2.500 304 Q HA -0.065 4.275 4.340 0.000 0.000 0.213 304 Q C 2.150 178.213 176.000 0.105 0.000 0.974 304 Q CA 0.928 56.800 55.803 0.116 0.000 0.918 304 Q CB 0.098 28.925 28.738 0.149 0.000 0.980 304 Q HN 0.784 nan 8.270 nan 0.000 0.505 305 A N 0.920 123.788 122.820 0.080 0.000 2.216 305 A HA -0.126 4.194 4.320 0.000 0.000 0.214 305 A C 1.709 179.326 177.584 0.056 0.000 1.160 305 A CA 0.654 52.727 52.037 0.060 0.000 0.725 305 A CB -0.107 18.921 19.000 0.046 0.000 0.784 305 A HN 0.240 nan 8.150 nan 0.000 0.472 306 R N -0.050 120.489 120.500 0.065 0.000 2.246 306 R HA 0.117 4.457 4.340 0.000 0.000 0.199 306 R C 0.003 176.341 176.300 0.062 0.000 0.984 306 R CA 0.360 56.495 56.100 0.058 0.000 1.015 306 R CB 0.183 30.519 30.300 0.059 0.000 0.930 306 R HN 0.603 nan 8.270 nan 0.000 0.475 307 E N 0.582 120.830 120.200 0.081 0.000 2.254 307 E HA 0.003 4.353 4.350 0.000 0.000 0.261 307 E C 0.433 177.093 176.600 0.099 0.000 1.051 307 E CA -0.502 55.955 56.400 0.094 0.000 0.902 307 E CB 0.929 30.703 29.700 0.123 0.000 1.168 307 E HN -0.020 nan 8.360 nan 0.000 0.423 308 Q N 0.417 120.280 119.800 0.105 0.000 2.135 308 Q HA -0.299 4.041 4.340 0.000 0.000 0.204 308 Q C 1.726 177.791 176.000 0.108 0.000 0.981 308 Q CA 1.794 57.654 55.803 0.096 0.000 0.856 308 Q CB -0.673 28.126 28.738 0.101 0.000 0.902 308 Q HN 0.727 nan 8.270 nan 0.000 0.425 309 Y N 0.694 121.015 120.300 0.035 0.000 2.097 309 Y HA -0.149 4.401 4.550 0.000 0.000 0.282 309 Y C 1.844 177.748 175.900 0.007 0.000 1.152 309 Y CA 1.823 59.930 58.100 0.012 0.000 1.136 309 Y CB -0.173 38.279 38.460 -0.015 0.000 0.975 309 Y HN 0.160 nan 8.280 nan 0.000 0.498 310 I N -0.735 119.796 120.570 -0.066 0.000 2.339 310 I HA -0.142 4.028 4.170 0.000 0.000 0.245 310 I C 2.222 178.275 176.117 -0.108 0.000 1.096 310 I CA 1.107 62.310 61.300 -0.162 0.000 1.408 310 I CB -0.197 37.813 38.000 0.018 0.000 1.092 310 I HN 0.005 nan 8.210 nan 0.000 0.423 311 R N 0.598 121.080 120.500 -0.031 0.000 2.276 311 R HA 0.096 4.436 4.340 0.000 0.000 0.196 311 R C 1.102 177.388 176.300 -0.022 0.000 0.961 311 R CA 0.225 56.314 56.100 -0.019 0.000 1.024 311 R CB -0.086 30.221 30.300 0.011 0.000 0.940 311 R HN 0.145 nan 8.270 nan 0.000 0.480 312 R N -1.676 118.809 120.500 -0.025 0.000 3.753 312 R HA -0.347 3.993 4.340 0.000 0.000 0.472 312 R C 1.477 177.777 176.300 0.001 0.000 0.242 312 R CA 2.005 58.096 56.100 -0.015 0.000 1.482 312 R CB -1.871 28.404 30.300 -0.040 0.000 0.920 312 R HN 0.285 nan 8.270 nan 0.000 0.594 313 A N 0.883 123.700 122.820 -0.005 0.000 2.131 313 A HA -0.136 4.184 4.320 0.000 0.000 0.220 313 A C 1.587 179.174 177.584 0.005 0.000 1.158 313 A CA 1.838 53.876 52.037 0.002 0.000 0.665 313 A CB -0.255 18.744 19.000 -0.003 0.000 0.795 313 A HN 0.406 nan 8.150 nan 0.000 0.460 314 K N -0.465 119.938 120.400 0.004 0.000 2.373 314 K HA 0.387 4.707 4.320 0.000 0.000 0.202 314 K C 0.459 177.069 176.600 0.017 0.000 1.025 314 K CA 0.171 56.463 56.287 0.009 0.000 1.115 314 K CB 0.391 32.895 32.500 0.006 0.000 0.858 314 K HN 0.422 nan 8.250 nan 0.000 0.525 315 A N 1.506 124.338 122.820 0.021 0.000 2.466 315 A HA 0.007 4.327 4.320 0.000 0.000 0.238 315 A C 0.963 178.567 177.584 0.033 0.000 1.074 315 A CA 0.045 52.101 52.037 0.032 0.000 0.774 315 A CB 0.390 19.415 19.000 0.042 0.000 1.015 315 A HN 0.047 nan 8.150 nan 0.000 0.498 316 K N 0.183 120.604 120.400 0.036 0.000 2.362 316 K HA 0.003 4.323 4.320 0.000 0.000 0.200 316 K C 0.646 177.267 176.600 0.035 0.000 1.046 316 K CA 1.333 57.639 56.287 0.033 0.000 0.952 316 K CB -0.427 32.093 32.500 0.033 0.000 0.753 316 K HN 0.697 nan 8.250 nan 0.000 0.466 317 S N 0.085 115.809 115.700 0.039 0.000 2.578 317 S HA 0.160 4.630 4.470 0.000 0.000 0.272 317 S C -0.318 174.314 174.600 0.054 0.000 1.145 317 S CA -0.620 57.607 58.200 0.046 0.000 0.835 317 S CB 0.741 63.957 63.200 0.028 0.000 1.104 317 S HN 0.188 nan 8.310 nan 0.000 0.458 318 N N 2.501 121.241 118.700 0.067 0.000 2.461 318 N HA 0.069 4.809 4.740 0.000 0.000 0.188 318 N C 0.656 176.223 175.510 0.094 0.000 1.134 318 N CA -0.060 53.037 53.050 0.078 0.000 0.878 318 N CB -0.496 38.038 38.487 0.078 0.000 0.972 318 N HN 0.704 nan 8.380 nan 0.000 0.456 319 I N 0.895 121.506 120.570 0.070 0.000 2.821 319 I HA -0.150 4.020 4.170 0.000 0.000 0.294 319 I C 0.247 176.410 176.117 0.076 0.000 1.210 319 I CA 0.646 61.976 61.300 0.051 0.000 1.430 319 I CB 0.599 38.532 38.000 -0.112 0.000 1.356 319 I HN 0.150 nan 8.210 nan 0.000 0.563 320 T N 4.043 118.669 114.554 0.120 0.000 3.463 320 T HA 0.090 4.440 4.350 0.000 0.000 0.203 320 T C 0.381 175.142 174.700 0.101 0.000 0.955 320 T CA -0.111 62.063 62.100 0.124 0.000 1.230 320 T CB 0.076 69.036 68.868 0.154 0.000 1.392 320 T HN 0.538 nan 8.240 nan 0.000 0.361 321 T N 4.160 118.799 114.554 0.142 0.000 2.916 321 T HA 0.268 4.618 4.350 0.000 0.000 0.303 321 T C 0.514 175.319 174.700 0.175 0.000 1.025 321 T CA -0.306 61.867 62.100 0.121 0.000 1.142 321 T CB 0.361 69.314 68.868 0.141 0.000 0.947 321 T HN 0.514 nan 8.240 nan 0.000 0.544 322 N N 2.127 120.877 118.700 0.083 0.000 2.636 322 N HA 0.586 5.326 4.740 0.000 0.000 0.268 322 N C -0.387 175.198 175.510 0.126 0.000 1.372 322 N CA -0.567 52.531 53.050 0.079 0.000 0.852 322 N CB 0.192 38.654 38.487 -0.041 0.000 1.335 322 N HN 0.513 nan 8.380 nan 0.000 0.386 323 A N -1.200 121.645 122.820 0.041 0.000 3.045 323 A HA 0.295 4.615 4.320 0.000 0.000 0.244 323 A C 0.864 178.379 177.584 -0.115 0.000 0.917 323 A CA -0.275 51.786 52.037 0.040 0.000 1.075 323 A CB -0.048 19.049 19.000 0.161 0.000 1.202 323 A HN 0.415 nan 8.150 nan 0.000 0.486 324 Q N -0.080 119.625 119.800 -0.157 0.000 2.045 324 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 324 Q C 1.742 177.561 176.000 -0.302 0.000 0.991 324 Q CA 2.474 58.119 55.803 -0.264 0.000 0.851 324 Q CB -0.340 28.277 28.738 -0.201 0.000 0.911 324 Q HN 0.695 nan 8.270 nan 0.000 0.418 325 L N -0.084 121.026 121.223 -0.189 0.000 2.042 325 L HA -0.178 4.162 4.340 0.000 0.000 0.210 325 L C 2.224 178.963 176.870 -0.219 0.000 1.076 325 L CA 2.601 57.334 54.840 -0.177 0.000 0.749 325 L CB -1.103 40.908 42.059 -0.080 0.000 0.893 325 L HN 0.568 nan 8.230 nan 0.000 0.432 326 T N -3.005 111.445 114.554 -0.172 0.000 2.777 326 T HA -0.091 4.259 4.350 0.000 0.000 0.266 326 T C 1.931 176.331 174.700 -0.501 0.000 1.040 326 T CA 0.942 62.968 62.100 -0.123 0.000 1.141 326 T CB -0.973 67.975 68.868 0.132 0.000 0.868 326 T HN 0.359 nan 8.240 nan 0.000 0.444 327 A N 1.505 123.752 122.820 -0.955 0.000 1.940 327 A HA 0.081 4.401 4.320 0.000 0.000 0.219 327 A C 2.288 179.274 177.584 -0.998 0.000 1.176 327 A CA 1.274 52.237 52.037 -1.789 0.000 0.631 327 A CB -0.907 17.092 19.000 -1.668 0.000 0.814 327 A HN 0.411 nan 8.150 nan 0.000 0.446 328 L N -0.965 119.862 121.223 -0.659 0.000 2.141 328 L HA -0.068 4.272 4.340 0.000 0.000 0.209 328 L C 2.652 179.342 176.870 -0.300 0.000 1.094 328 L CA 1.616 56.195 54.840 -0.435 0.000 0.763 328 L CB -0.640 41.152 42.059 -0.445 0.000 0.908 328 L HN 0.397 nan 8.230 nan 0.000 0.437 329 M N -1.514 117.929 119.600 -0.262 0.000 2.159 329 M HA -0.129 4.351 4.480 0.000 0.000 0.263 329 M C 2.211 178.497 176.300 -0.023 0.000 1.063 329 M CA 1.734 56.965 55.300 -0.114 0.000 1.110 329 M CB -0.871 31.698 32.600 -0.053 0.000 1.374 329 M HN 0.372 nan 8.290 nan 0.000 0.411 330 G N -0.127 108.639 108.800 -0.056 0.000 2.418 330 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 330 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 330 G C 1.600 176.587 174.900 0.144 0.000 1.158 330 G CA 0.965 46.146 45.100 0.135 0.000 0.771 330 G HN 0.539 nan 8.290 nan 0.000 0.545 331 A N 0.573 123.428 122.820 0.058 0.000 1.930 331 A HA 0.073 4.393 4.320 0.000 0.000 0.217 331 A C 2.457 180.057 177.584 0.026 0.000 1.175 331 A CA 1.706 53.781 52.037 0.062 0.000 0.627 331 A CB -0.341 18.692 19.000 0.054 0.000 0.815 331 A HN 0.383 nan 8.150 nan 0.000 0.443 332 M N -2.326 117.272 119.600 -0.005 0.000 2.159 332 M HA -0.137 4.343 4.480 0.000 0.000 0.263 332 M C 2.223 178.550 176.300 0.046 0.000 1.063 332 M CA 1.897 57.191 55.300 -0.009 0.000 1.110 332 M CB -0.476 32.099 32.600 -0.042 0.000 1.374 332 M HN 0.614 nan 8.290 nan 0.000 0.411 333 Y N 1.027 121.313 120.300 -0.023 0.000 2.163 333 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 333 Y C 1.998 177.894 175.900 -0.007 0.000 1.136 333 Y CA 1.419 59.516 58.100 -0.006 0.000 1.147 333 Y CB -0.087 38.379 38.460 0.011 0.000 0.987 333 Y HN 0.002 nan 8.280 nan 0.000 0.509 334 L N 0.338 121.665 121.223 0.174 0.000 2.012 334 L HA -0.210 4.130 4.340 0.000 0.000 0.210 334 L C 2.702 179.550 176.870 -0.037 0.000 1.073 334 L CA 2.055 56.932 54.840 0.061 0.000 0.748 334 L CB -2.024 40.068 42.059 0.055 0.000 0.891 334 L HN 0.403 nan 8.230 nan 0.000 0.431 335 A N -0.889 121.913 122.820 -0.030 0.000 1.933 335 A HA -0.092 4.228 4.320 0.000 0.000 0.218 335 A C 2.474 180.018 177.584 -0.067 0.000 1.175 335 A CA 1.676 53.686 52.037 -0.045 0.000 0.628 335 A CB -0.659 18.321 19.000 -0.033 0.000 0.814 335 A HN 0.399 nan 8.150 nan 0.000 0.444 336 A N -0.716 122.046 122.820 -0.097 0.000 1.898 336 A HA 0.062 4.382 4.320 0.000 0.000 0.216 336 A C 2.035 179.525 177.584 -0.157 0.000 1.181 336 A CA 1.434 53.400 52.037 -0.119 0.000 0.620 336 A CB -0.337 18.583 19.000 -0.134 0.000 0.819 336 A HN 0.378 nan 8.150 nan 0.000 0.442 337 L N -1.557 119.521 121.223 -0.241 0.000 2.127 337 L HA 0.189 4.529 4.340 0.000 0.000 0.203 337 L C 1.509 178.309 176.870 -0.117 0.000 1.080 337 L CA 1.780 56.490 54.840 -0.217 0.000 0.768 337 L CB -2.053 39.808 42.059 -0.330 0.000 0.924 337 L HN 0.658 nan 8.230 nan 0.000 0.444 338 G N -0.260 108.483 108.800 -0.095 0.000 2.795 338 G HA2 -0.193 3.767 3.960 0.000 0.000 0.664 338 G HA3 -0.193 3.767 3.960 0.000 0.000 0.664 338 G C -1.740 173.133 174.900 -0.045 0.000 1.381 338 G CA -0.147 44.918 45.100 -0.058 0.000 0.853 338 G HN 0.109 nan 8.290 nan 0.000 0.545 339 P HA -0.098 nan 4.420 nan 0.000 0.215 339 P C 1.311 178.602 177.300 -0.015 0.000 1.157 339 P CA 2.006 65.093 63.100 -0.023 0.000 0.868 339 P CB 0.153 31.839 31.700 -0.023 0.000 0.788 340 E N 0.276 120.466 120.200 -0.018 0.000 2.152 340 E HA -0.064 4.286 4.350 0.000 0.000 0.192 340 E C 2.293 178.885 176.600 -0.015 0.000 0.983 340 E CA 1.583 57.976 56.400 -0.012 0.000 0.818 340 E CB -1.374 28.318 29.700 -0.014 0.000 0.758 340 E HN 0.206 nan 8.360 nan 0.000 0.467 341 G N 0.642 109.424 108.800 -0.030 0.000 2.421 341 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 341 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 341 G C 1.506 176.390 174.900 -0.028 0.000 1.171 341 G CA 0.902 45.977 45.100 -0.043 0.000 0.775 341 G HN 0.348 nan 8.290 nan 0.000 0.543 342 L N 0.477 121.689 121.223 -0.018 0.000 2.056 342 L HA 0.117 4.457 4.340 0.000 0.000 0.207 342 L C 2.781 179.683 176.870 0.052 0.000 1.078 342 L CA 2.027 56.886 54.840 0.031 0.000 0.749 342 L CB -0.531 41.553 42.059 0.041 0.000 0.901 342 L HN 0.236 nan 8.230 nan 0.000 0.433 343 R N -0.488 120.033 120.500 0.036 0.000 2.091 343 R HA -0.190 4.150 4.340 0.000 0.000 0.238 343 R C 2.123 178.445 176.300 0.037 0.000 1.136 343 R CA 1.889 58.016 56.100 0.045 0.000 0.959 343 R CB -0.185 30.131 30.300 0.027 0.000 0.856 343 R HN 0.532 nan 8.270 nan 0.000 0.437 344 E N -0.367 119.847 120.200 0.022 0.000 2.031 344 E HA -0.186 4.164 4.350 0.000 0.000 0.193 344 E C 2.036 178.654 176.600 0.030 0.000 0.994 344 E CA 1.678 58.088 56.400 0.016 0.000 0.800 344 E CB -0.097 29.607 29.700 0.007 0.000 0.752 344 E HN 0.152 nan 8.360 nan 0.000 0.447 345 V N 1.603 121.548 119.914 0.051 0.000 2.332 345 V HA -0.317 3.803 4.120 0.000 0.000 0.248 345 V C 2.364 178.515 176.094 0.095 0.000 1.055 345 V CA 1.984 64.336 62.300 0.087 0.000 1.038 345 V CB -0.807 31.090 31.823 0.124 0.000 0.651 345 V HN 0.341 nan 8.190 nan 0.000 0.450 346 A N -0.471 122.407 122.820 0.097 0.000 1.877 346 A HA -0.147 4.173 4.320 0.000 0.000 0.216 346 A C 2.223 179.788 177.584 -0.031 0.000 1.186 346 A CA 1.789 53.896 52.037 0.117 0.000 0.620 346 A CB -0.527 18.605 19.000 0.220 0.000 0.822 346 A HN 0.496 nan 8.150 nan 0.000 0.443 347 L N -0.871 120.333 121.223 -0.033 0.000 2.046 347 L HA -0.191 4.149 4.340 0.000 0.000 0.208 347 L C 2.619 179.424 176.870 -0.107 0.000 1.077 347 L CA 1.795 56.572 54.840 -0.105 0.000 0.747 347 L CB -0.336 41.690 42.059 -0.054 0.000 0.896 347 L HN 0.358 nan 8.230 nan 0.000 0.432 348 K N 0.539 120.919 120.400 -0.034 0.000 2.057 348 K HA -0.160 4.160 4.320 0.000 0.000 0.207 348 K C 2.277 178.883 176.600 0.009 0.000 1.049 348 K CA 1.901 58.185 56.287 -0.005 0.000 0.931 348 K CB -0.379 32.139 32.500 0.030 0.000 0.714 348 K HN 0.353 nan 8.250 nan 0.000 0.440 349 S N -0.529 115.189 115.700 0.030 0.000 2.368 349 S HA -0.119 4.351 4.470 0.000 0.000 0.225 349 S C 2.078 176.671 174.600 -0.011 0.000 1.030 349 S CA 1.376 59.622 58.200 0.076 0.000 0.999 349 S CB -0.851 62.453 63.200 0.174 0.000 0.844 349 S HN 0.047 nan 8.310 nan 0.000 0.459 350 V N 2.625 122.408 119.914 -0.217 0.000 2.343 350 V HA -0.192 3.928 4.120 0.000 0.000 0.247 350 V C 2.862 178.752 176.094 -0.340 0.000 1.051 350 V CA 2.272 64.330 62.300 -0.403 0.000 1.036 350 V CB -0.966 30.416 31.823 -0.735 0.000 0.654 350 V HN 0.671 nan 8.190 nan 0.000 0.451 351 E N -0.211 119.847 120.200 -0.236 0.000 2.023 351 E HA -0.269 4.081 4.350 0.000 0.000 0.196 351 E C 2.288 178.898 176.600 0.018 0.000 1.003 351 E CA 1.764 58.081 56.400 -0.138 0.000 0.809 351 E CB -0.123 29.533 29.700 -0.073 0.000 0.755 351 E HN 0.361 nan 8.360 nan 0.000 0.449 352 M N 0.399 120.046 119.600 0.077 0.000 2.213 352 M HA -0.092 4.388 4.480 0.000 0.000 0.263 352 M C 2.368 178.812 176.300 0.240 0.000 1.062 352 M CA 1.413 56.810 55.300 0.162 0.000 1.105 352 M CB -1.194 31.532 32.600 0.209 0.000 1.385 352 M HN 0.268 nan 8.290 nan 0.000 0.417 353 A N -0.590 122.399 122.820 0.282 0.000 1.898 353 A HA -0.170 4.150 4.320 0.000 0.000 0.216 353 A C 1.995 179.973 177.584 0.656 0.000 1.181 353 A CA 1.419 53.748 52.037 0.486 0.000 0.620 353 A CB -1.085 18.211 19.000 0.493 0.000 0.819 353 A HN 0.587 nan 8.150 nan 0.000 0.442 354 H N -0.754 118.491 119.070 0.292 0.000 2.389 354 H HA -0.039 4.517 4.556 0.000 0.000 0.299 354 H C 2.068 177.483 175.328 0.145 0.000 1.081 354 H CA 1.250 57.422 56.048 0.206 0.000 1.345 354 H CB 0.077 29.837 29.762 -0.004 0.000 1.393 354 H HN 0.436 nan 8.280 nan 0.000 0.520 355 K N 0.509 121.054 120.400 0.242 0.000 2.057 355 K HA -0.146 4.174 4.320 0.000 0.000 0.207 355 K C 2.156 178.812 176.600 0.095 0.000 1.049 355 K CA 0.817 57.182 56.287 0.131 0.000 0.931 355 K CB -0.083 32.477 32.500 0.100 0.000 0.714 355 K HN 0.048 nan 8.250 nan 0.000 0.440 356 L N 1.052 122.364 121.223 0.150 0.000 1.994 356 L HA -0.220 4.120 4.340 0.000 0.000 0.208 356 L C 2.410 179.282 176.870 0.004 0.000 1.071 356 L CA 1.869 56.755 54.840 0.077 0.000 0.745 356 L CB -0.750 41.408 42.059 0.166 0.000 0.892 356 L HN 0.325 nan 8.230 nan 0.000 0.431 357 H N -0.230 118.745 119.070 -0.159 0.000 2.265 357 H HA -0.247 4.309 4.556 0.000 0.000 0.293 357 H C 1.912 177.019 175.328 -0.369 0.000 1.089 357 H CA 2.139 57.751 56.048 -0.727 0.000 1.244 357 H CB 0.008 29.168 29.762 -1.003 0.000 1.355 357 H HN 0.478 nan 8.280 nan 0.000 0.485 358 A N 1.274 124.035 122.820 -0.099 0.000 1.908 358 A HA -0.143 4.177 4.320 0.000 0.000 0.218 358 A C 2.982 180.466 177.584 -0.167 0.000 1.181 358 A CA 1.625 53.596 52.037 -0.109 0.000 0.627 358 A CB -0.932 18.063 19.000 -0.008 0.000 0.818 358 A HN 0.454 nan 8.150 nan 0.000 0.445 359 L N -1.342 119.795 121.223 -0.143 0.000 2.056 359 L HA -0.162 4.178 4.340 0.000 0.000 0.207 359 L C 2.422 179.164 176.870 -0.213 0.000 1.078 359 L CA 0.731 55.480 54.840 -0.152 0.000 0.749 359 L CB -0.507 41.474 42.059 -0.129 0.000 0.901 359 L HN 0.284 nan 8.230 nan 0.000 0.433 360 L N -0.843 120.207 121.223 -0.288 0.000 2.141 360 L HA -0.180 4.160 4.340 0.000 0.000 0.209 360 L C 2.232 178.916 176.870 -0.311 0.000 1.094 360 L CA 1.355 55.991 54.840 -0.340 0.000 0.763 360 L CB -0.727 41.052 42.059 -0.468 0.000 0.908 360 L HN 0.144 nan 8.230 nan 0.000 0.437 361 L N -0.694 120.317 121.223 -0.353 0.000 2.275 361 L HA -0.145 4.195 4.340 0.000 0.000 0.215 361 L C 2.348 179.102 176.870 -0.194 0.000 1.119 361 L CA 1.323 55.982 54.840 -0.302 0.000 0.790 361 L CB -0.620 41.212 42.059 -0.379 0.000 0.919 361 L HN 0.374 nan 8.230 nan 0.000 0.443 362 E N -1.283 118.813 120.200 -0.173 0.000 2.106 362 E HA -0.078 4.272 4.350 0.000 0.000 0.192 362 E C 0.643 177.176 176.600 -0.112 0.000 0.984 362 E CA 0.164 56.490 56.400 -0.124 0.000 0.806 362 E CB -0.017 29.617 29.700 -0.110 0.000 0.750 362 E HN 0.166 nan 8.360 nan 0.000 0.458 363 V N 4.609 124.445 119.914 -0.131 0.000 2.617 363 V HA -0.035 4.085 4.120 0.000 0.000 0.304 363 V C -1.915 174.125 176.094 -0.091 0.000 1.040 363 V CA -0.781 61.452 62.300 -0.112 0.000 1.149 363 V CB -0.127 31.617 31.823 -0.132 0.000 0.914 363 V HN 0.127 nan 8.190 nan 0.000 0.487 364 P HA 0.146 nan 4.420 nan 0.000 0.264 364 P C 0.909 178.180 177.300 -0.048 0.000 1.193 364 P CA 1.248 64.316 63.100 -0.054 0.000 0.763 364 P CB 0.914 32.588 31.700 -0.044 0.000 0.810 365 G N 2.123 110.898 108.800 -0.042 0.000 2.317 365 G HA2 -0.233 3.727 3.960 0.000 0.000 0.227 365 G HA3 -0.233 3.727 3.960 0.000 0.000 0.227 365 G C -0.019 174.860 174.900 -0.034 0.000 1.042 365 G CA -0.034 45.047 45.100 -0.031 0.000 0.623 365 G HN 0.540 nan 8.290 nan 0.000 0.509 366 V N 2.462 122.343 119.914 -0.054 0.000 2.446 366 V HA 0.600 4.720 4.120 0.000 0.000 0.276 366 V C 0.730 176.783 176.094 -0.068 0.000 1.030 366 V CA 0.215 62.476 62.300 -0.064 0.000 1.033 366 V CB 0.926 32.681 31.823 -0.112 0.000 0.993 366 V HN 0.423 nan 8.190 nan 0.000 0.477 367 R N 6.739 127.220 120.500 -0.033 0.000 2.711 367 R HA 0.602 4.942 4.340 0.000 0.000 0.284 367 R C -2.548 173.757 176.300 0.008 0.000 0.968 367 R CA -2.318 53.771 56.100 -0.018 0.000 0.924 367 R CB 1.660 31.971 30.300 0.017 0.000 1.162 367 R HN 0.385 nan 8.270 nan 0.000 0.465 368 P HA 0.150 nan 4.420 nan 0.000 0.274 368 P C -0.537 176.876 177.300 0.188 0.000 1.246 368 P CA 0.093 63.227 63.100 0.056 0.000 0.795 368 P CB 0.902 32.625 31.700 0.039 0.000 1.006 369 F N -1.156 118.816 119.950 0.037 0.000 1.890 369 F HA 0.154 4.681 4.527 0.000 0.000 0.261 369 F C 0.436 176.258 175.800 0.036 0.000 1.066 369 F CA 0.415 58.437 58.000 0.037 0.000 1.235 369 F CB -0.227 38.795 39.000 0.036 0.000 1.548 369 F HN 0.062 nan 8.300 nan 0.000 0.593 370 T N 5.400 120.026 114.554 0.121 0.000 2.902 370 T HA 0.209 4.559 4.350 0.000 0.000 0.301 370 T C -2.415 172.271 174.700 -0.024 0.000 1.012 370 T CA -0.611 61.489 62.100 -0.001 0.000 1.151 370 T CB 0.648 69.503 68.868 -0.022 0.000 0.946 370 T HN 0.074 nan 8.240 nan 0.000 0.542 371 P HA 0.341 nan 4.420 nan 0.000 0.278 371 P C -0.625 176.764 177.300 0.148 0.000 1.258 371 P CA -0.801 62.315 63.100 0.027 0.000 0.811 371 P CB 1.096 32.779 31.700 -0.028 0.000 1.063 372 K N 1.561 122.012 120.400 0.085 0.000 2.185 372 K HA 0.363 4.683 4.320 0.000 0.000 0.271 372 K C -1.661 174.938 176.600 -0.002 0.000 1.013 372 K CA -1.349 54.935 56.287 -0.005 0.000 0.943 372 K CB -0.044 32.388 32.500 -0.113 0.000 0.998 372 K HN 0.474 nan 8.250 nan 0.000 0.468 373 P HA 0.300 nan 4.420 nan 0.000 0.284 373 P C -1.229 176.100 177.300 0.047 0.000 1.258 373 P CA -0.508 62.532 63.100 -0.100 0.000 0.824 373 P CB 0.659 32.338 31.700 -0.035 0.000 1.038 374 F N -0.850 119.137 119.950 0.061 0.000 2.650 374 F HA 0.591 5.118 4.527 0.000 0.000 0.320 374 F C -0.061 175.962 175.800 0.371 0.000 1.091 374 F CA -1.226 56.868 58.000 0.157 0.000 0.962 374 F CB 0.192 39.234 39.000 0.069 0.000 1.363 374 F HN 0.154 nan 8.300 nan 0.000 0.482 375 F N 1.232 121.467 119.950 0.474 0.000 2.562 375 F HA 0.305 4.832 4.527 0.000 0.000 0.202 375 F C 1.723 177.797 175.800 0.457 0.000 1.177 375 F CA 0.715 58.926 58.000 0.351 0.000 0.937 375 F CB -0.088 39.039 39.000 0.212 0.000 1.520 375 F HN 0.655 nan 8.300 nan 0.000 0.667 376 N N -0.660 118.292 118.700 0.419 0.000 2.235 376 N HA 0.171 4.911 4.740 0.000 0.000 0.209 376 N C -0.873 174.805 175.510 0.279 0.000 1.122 376 N CA 0.004 53.227 53.050 0.289 0.000 0.845 376 N CB 0.534 39.143 38.487 0.202 0.000 1.004 376 N HN 0.350 nan 8.380 nan 0.000 0.499 377 E N 0.605 120.973 120.200 0.281 0.000 2.383 377 E HA 0.447 4.797 4.350 0.000 0.000 0.275 377 E C -1.634 174.955 176.600 -0.020 0.000 0.918 377 E CA -0.925 55.473 56.400 -0.003 0.000 0.764 377 E CB 2.138 31.815 29.700 -0.039 0.000 1.252 377 E HN 0.218 nan 8.360 nan 0.000 0.449 378 F N -1.083 118.785 119.950 -0.137 0.000 2.688 378 F HA 0.742 5.269 4.527 0.000 0.000 0.308 378 F C -1.580 174.142 175.800 -0.129 0.000 1.117 378 F CA -1.226 56.584 58.000 -0.317 0.000 0.976 378 F CB 0.563 39.081 39.000 -0.803 0.000 1.291 378 F HN 0.446 nan 8.300 nan 0.000 0.439 379 A N 3.202 126.119 122.820 0.161 0.000 2.312 379 A HA 0.908 5.228 4.320 0.000 0.000 0.328 379 A C -1.320 176.457 177.584 0.322 0.000 1.158 379 A CA -0.813 51.315 52.037 0.152 0.000 0.821 379 A CB 1.075 20.095 19.000 0.034 0.000 1.170 379 A HN 0.855 nan 8.150 nan 0.000 0.490 380 L N 0.983 122.378 121.223 0.287 0.000 2.388 380 L HA 0.689 5.029 4.340 0.000 0.000 0.264 380 L C 0.233 177.174 176.870 0.119 0.000 0.998 380 L CA -0.890 54.090 54.840 0.234 0.000 0.817 380 L CB 2.233 44.435 42.059 0.238 0.000 1.338 380 L HN 0.783 nan 8.230 nan 0.000 0.414 381 A N 3.679 126.552 122.820 0.088 0.000 2.276 381 A HA 0.707 5.027 4.320 0.000 0.000 0.300 381 A C -0.565 177.035 177.584 0.027 0.000 1.235 381 A CA -0.344 51.705 52.037 0.020 0.000 0.867 381 A CB 0.166 19.197 19.000 0.052 0.000 1.137 381 A HN 0.597 nan 8.150 nan 0.000 0.527 382 L N 4.245 125.479 121.223 0.019 0.000 2.344 382 L HA 0.445 4.785 4.340 0.000 0.000 0.272 382 L C -1.269 175.604 176.870 0.005 0.000 1.035 382 L CA -1.967 52.886 54.840 0.022 0.000 0.807 382 L CB 1.921 44.008 42.059 0.046 0.000 1.237 382 L HN 0.551 nan 8.230 nan 0.000 0.442 383 P HA 0.000 nan 4.420 nan 0.000 0.242 383 P C -0.274 177.025 177.300 -0.002 0.000 1.197 383 P CA 0.876 63.974 63.100 -0.004 0.000 0.765 383 P CB 0.427 32.121 31.700 -0.010 0.000 0.936 384 K N -0.111 120.290 120.400 0.002 0.000 2.482 384 K HA 0.256 4.576 4.320 0.000 0.000 0.257 384 K C -1.025 175.576 176.600 0.003 0.000 0.969 384 K CA -0.904 55.385 56.287 0.002 0.000 0.842 384 K CB 1.456 33.958 32.500 0.004 0.000 1.359 384 K HN -0.276 nan 8.250 nan 0.000 0.441 385 D N 2.546 122.947 120.400 0.001 0.000 2.531 385 D HA -0.037 4.603 4.640 0.000 0.000 0.239 385 D C -1.229 175.070 176.300 -0.002 0.000 1.144 385 D CA -1.127 52.871 54.000 -0.002 0.000 0.869 385 D CB 0.925 41.725 40.800 0.000 0.000 1.160 385 D HN 0.118 nan 8.370 nan 0.000 0.484 386 P HA -0.215 nan 4.420 nan 0.000 0.216 386 P C 0.763 178.052 177.300 -0.019 0.000 1.153 386 P CA 1.408 64.492 63.100 -0.025 0.000 0.858 386 P CB 0.193 31.863 31.700 -0.051 0.000 0.789 387 E N -0.018 120.177 120.200 -0.009 0.000 2.077 387 E HA -0.119 4.231 4.350 0.000 0.000 0.193 387 E C 2.318 178.926 176.600 0.013 0.000 0.989 387 E CA 1.237 57.639 56.400 0.004 0.000 0.800 387 E CB -0.530 29.176 29.700 0.010 0.000 0.746 387 E HN 0.194 nan 8.360 nan 0.000 0.452 388 A N 0.773 123.600 122.820 0.012 0.000 1.902 388 A HA -0.140 4.180 4.320 0.000 0.000 0.217 388 A C 2.475 180.072 177.584 0.021 0.000 1.181 388 A CA 1.107 53.154 52.037 0.017 0.000 0.623 388 A CB -0.589 18.419 19.000 0.012 0.000 0.818 388 A HN 0.119 nan 8.150 nan 0.000 0.443 389 V N 0.066 119.992 119.914 0.019 0.000 2.343 389 V HA -0.251 3.869 4.120 0.000 0.000 0.247 389 V C 2.653 178.770 176.094 0.039 0.000 1.051 389 V CA 2.269 64.587 62.300 0.030 0.000 1.036 389 V CB -0.794 31.053 31.823 0.040 0.000 0.654 389 V HN 0.683 nan 8.190 nan 0.000 0.451 390 R N 0.056 120.573 120.500 0.028 0.000 2.081 390 R HA -0.203 4.137 4.340 0.000 0.000 0.235 390 R C 2.519 178.859 176.300 0.067 0.000 1.131 390 R CA 1.942 58.069 56.100 0.044 0.000 0.960 390 R CB -0.273 30.042 30.300 0.025 0.000 0.856 390 R HN 0.433 nan 8.270 nan 0.000 0.436 391 R N -0.075 120.456 120.500 0.053 0.000 2.070 391 R HA -0.096 4.244 4.340 0.000 0.000 0.233 391 R C 2.136 178.469 176.300 0.054 0.000 1.137 391 R CA 1.600 57.733 56.100 0.054 0.000 0.945 391 R CB -0.351 29.974 30.300 0.042 0.000 0.845 391 R HN 0.308 nan 8.270 nan 0.000 0.430 392 A N 0.815 123.663 122.820 0.046 0.000 1.972 392 A HA -0.138 4.182 4.320 0.000 0.000 0.219 392 A C 1.991 179.613 177.584 0.063 0.000 1.169 392 A CA 0.974 53.038 52.037 0.045 0.000 0.635 392 A CB -0.431 18.587 19.000 0.031 0.000 0.810 392 A HN 0.327 nan 8.150 nan 0.000 0.446 393 L N -0.572 120.696 121.223 0.075 0.000 2.093 393 L HA -0.016 4.324 4.340 0.000 0.000 0.208 393 L C 2.801 179.770 176.870 0.164 0.000 1.085 393 L CA 1.781 56.690 54.840 0.114 0.000 0.755 393 L CB -0.810 41.319 42.059 0.116 0.000 0.904 393 L HN 0.373 nan 8.230 nan 0.000 0.435 394 A N -1.253 121.628 122.820 0.101 0.000 1.969 394 A HA -0.183 4.137 4.320 0.000 0.000 0.218 394 A C 2.152 179.751 177.584 0.025 0.000 1.169 394 A CA 1.350 53.407 52.037 0.033 0.000 0.635 394 A CB -0.453 18.576 19.000 0.049 0.000 0.810 394 A HN 0.503 nan 8.150 nan 0.000 0.445 395 E N -0.535 119.697 120.200 0.054 0.000 2.268 395 E HA -0.114 4.236 4.350 0.000 0.000 0.195 395 E C 1.582 178.218 176.600 0.060 0.000 0.995 395 E CA 0.666 57.093 56.400 0.045 0.000 0.836 395 E CB -0.047 29.680 29.700 0.045 0.000 0.763 395 E HN 0.525 nan 8.360 nan 0.000 0.491 396 R N -0.839 119.733 120.500 0.120 0.000 2.359 396 R HA 0.137 4.477 4.340 0.000 0.000 0.231 396 R C 0.822 177.199 176.300 0.128 0.000 0.913 396 R CA 0.462 56.675 56.100 0.187 0.000 1.075 396 R CB 0.880 31.364 30.300 0.307 0.000 1.087 396 R HN 0.179 nan 8.270 nan 0.000 0.515 397 G N 0.561 109.352 108.800 -0.015 0.000 2.141 397 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 397 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 397 G C -0.149 174.493 174.900 -0.429 0.000 0.982 397 G CA -0.326 44.628 45.100 -0.243 0.000 0.662 397 G HN 0.201 nan 8.290 nan 0.000 0.527 398 F N 0.878 120.773 119.950 -0.092 0.000 2.480 398 F HA 0.644 5.171 4.527 0.000 0.000 0.329 398 F C 0.529 176.283 175.800 -0.077 0.000 1.091 398 F CA -1.003 56.983 58.000 -0.023 0.000 0.972 398 F CB 1.440 40.492 39.000 0.085 0.000 1.150 398 F HN -0.004 nan 8.300 nan 0.000 0.467 399 H N 1.652 120.916 119.070 0.323 0.000 2.623 399 H HA 0.664 5.220 4.556 0.000 0.000 0.299 399 H C 0.151 175.638 175.328 0.265 0.000 1.052 399 H CA -0.600 55.578 56.048 0.217 0.000 1.231 399 H CB 1.099 30.940 29.762 0.132 0.000 1.389 399 H HN 0.830 nan 8.280 nan 0.000 0.469 400 G N 0.388 109.367 108.800 0.299 0.000 2.559 400 G HA2 0.480 4.440 3.960 0.000 0.000 0.291 400 G HA3 0.480 4.440 3.960 0.000 0.000 0.291 400 G C -1.069 173.797 174.900 -0.055 0.000 1.424 400 G CA -0.115 45.096 45.100 0.186 0.000 0.786 400 G HN 0.677 nan 8.290 nan 0.000 0.485 401 A N -0.489 122.026 122.820 -0.509 0.000 2.331 401 A HA 0.117 4.437 4.320 0.000 0.000 0.274 401 A C 0.329 177.662 177.584 -0.418 0.000 1.395 401 A CA 0.769 52.361 52.037 -0.743 0.000 0.721 401 A CB -2.081 16.766 19.000 -0.256 0.000 1.160 401 A HN 1.794 nan 8.150 nan 0.000 0.345 402 T N 5.118 119.390 114.554 -0.469 0.000 2.738 402 T HA 0.466 4.816 4.350 0.000 0.000 0.294 402 T C -1.862 172.704 174.700 -0.225 0.000 0.914 402 T CA -0.178 61.768 62.100 -0.258 0.000 1.052 402 T CB 0.513 69.238 68.868 -0.237 0.000 0.897 402 T HN 0.614 nan 8.240 nan 0.000 0.522 403 P HA 0.029 nan 4.420 nan 0.000 0.258 403 P C -0.387 176.888 177.300 -0.041 0.000 1.187 403 P CA -0.071 62.980 63.100 -0.082 0.000 0.767 403 P CB 0.352 32.032 31.700 -0.035 0.000 0.770 404 V N 7.380 127.260 119.914 -0.057 0.000 2.461 404 V HA 0.185 4.305 4.120 0.000 0.000 0.275 404 V C -1.403 174.755 176.094 0.107 0.000 1.047 404 V CA -1.721 60.593 62.300 0.024 0.000 0.955 404 V CB 0.699 32.462 31.823 -0.101 0.000 0.988 404 V HN 0.568 nan 8.190 nan 0.000 0.471 405 P HA 0.078 nan 4.420 nan 0.000 0.266 405 P C 0.370 177.760 177.300 0.150 0.000 1.195 405 P CA -0.144 63.048 63.100 0.152 0.000 0.768 405 P CB 0.785 32.570 31.700 0.141 0.000 0.838 406 R N 1.573 122.107 120.500 0.058 0.000 2.261 406 R HA -0.188 4.152 4.340 0.000 0.000 0.236 406 R C 2.166 178.470 176.300 0.007 0.000 1.141 406 R CA 1.745 57.861 56.100 0.025 0.000 1.001 406 R CB -0.524 29.778 30.300 0.003 0.000 0.866 406 R HN 0.663 nan 8.270 nan 0.000 0.468 407 E N -0.856 119.324 120.200 -0.033 0.000 2.265 407 E HA -0.230 4.120 4.350 0.000 0.000 0.196 407 E C 0.724 177.205 176.600 -0.198 0.000 0.996 407 E CA 1.184 57.493 56.400 -0.151 0.000 0.832 407 E CB -0.193 29.345 29.700 -0.271 0.000 0.756 407 E HN 0.471 nan 8.360 nan 0.000 0.491 408 Y N 0.771 121.084 120.300 0.022 0.000 2.500 408 Y HA 0.335 4.885 4.550 0.000 0.000 0.270 408 Y C 1.152 177.046 175.900 -0.009 0.000 1.134 408 Y CA 0.598 58.730 58.100 0.053 0.000 1.293 408 Y CB 1.300 39.804 38.460 0.075 0.000 1.063 408 Y HN 0.252 nan 8.280 nan 0.000 0.534 409 G N -0.333 108.500 108.800 0.054 0.000 2.351 409 G HA2 0.021 3.981 3.960 0.000 0.000 0.353 409 G HA3 0.021 3.981 3.960 0.000 0.000 0.353 409 G C -1.586 173.261 174.900 -0.087 0.000 1.358 409 G CA -1.198 43.876 45.100 -0.044 0.000 0.995 409 G HN -0.188 nan 8.290 nan 0.000 0.611 410 E N 0.983 121.133 120.200 -0.083 0.000 2.313 410 E HA 0.348 4.698 4.350 0.000 0.000 0.272 410 E C 0.365 176.908 176.600 -0.096 0.000 1.038 410 E CA -0.616 55.745 56.400 -0.065 0.000 0.863 410 E CB 0.642 30.325 29.700 -0.028 0.000 1.060 410 E HN 0.561 nan 8.360 nan 0.000 0.402 411 N N 1.073 119.733 118.700 -0.067 0.000 2.714 411 N HA -0.214 4.526 4.740 0.000 0.000 0.252 411 N C -0.786 174.669 175.510 -0.092 0.000 1.014 411 N CA 0.700 53.714 53.050 -0.060 0.000 0.735 411 N CB -1.242 37.224 38.487 -0.035 0.000 0.924 411 N HN 0.391 nan 8.380 nan 0.000 0.540 412 L N -0.099 121.044 121.223 -0.132 0.000 2.309 412 L HA 0.747 5.087 4.340 0.000 0.000 0.282 412 L C 0.576 177.364 176.870 -0.137 0.000 1.036 412 L CA -0.647 54.086 54.840 -0.179 0.000 0.806 412 L CB 1.772 43.641 42.059 -0.316 0.000 1.220 412 L HN 0.215 nan 8.230 nan 0.000 0.429 413 A N 4.336 127.086 122.820 -0.116 0.000 2.449 413 A HA 0.755 5.075 4.320 0.000 0.000 0.302 413 A C -1.017 176.386 177.584 -0.303 0.000 1.048 413 A CA -0.515 51.386 52.037 -0.227 0.000 0.708 413 A CB 1.486 20.349 19.000 -0.229 0.000 1.274 413 A HN 0.643 nan 8.150 nan 0.000 0.410 414 L N 1.361 122.289 121.223 -0.491 0.000 2.343 414 L HA 0.661 5.002 4.340 0.000 0.000 0.275 414 L C -1.167 175.241 176.870 -0.770 0.000 1.056 414 L CA -0.308 54.233 54.840 -0.498 0.000 0.804 414 L CB 1.268 43.023 42.059 -0.505 0.000 1.203 414 L HN 0.711 nan 8.230 nan 0.000 0.440 415 F N 1.148 120.767 119.950 -0.552 0.000 2.565 415 F HA 0.748 5.275 4.527 0.000 0.000 0.313 415 F C 0.104 175.515 175.800 -0.648 0.000 1.091 415 F CA -0.552 57.108 58.000 -0.568 0.000 0.915 415 F CB 2.067 40.660 39.000 -0.679 0.000 1.208 415 F HN 0.407 nan 8.300 nan 0.000 0.453 416 A N 1.356 124.125 122.820 -0.086 0.000 2.515 416 A HA 1.001 5.321 4.320 0.000 0.000 0.296 416 A C -1.625 176.072 177.584 0.188 0.000 1.094 416 A CA -0.564 51.464 52.037 -0.015 0.000 0.718 416 A CB 1.639 20.632 19.000 -0.010 0.000 1.307 416 A HN 1.182 nan 8.150 nan 0.000 0.408 417 A N 0.084 123.034 122.820 0.217 0.000 2.498 417 A HA 0.959 5.279 4.320 0.000 0.000 0.298 417 A C -0.137 177.611 177.584 0.274 0.000 1.075 417 A CA 0.117 52.377 52.037 0.372 0.000 0.714 417 A CB 1.398 20.613 19.000 0.358 0.000 1.299 417 A HN 2.151 nan 8.150 nan 0.000 0.407 418 T N -1.988 112.743 114.554 0.295 0.000 2.831 418 T HA 0.526 4.876 4.350 0.000 0.000 0.287 418 T C 0.658 175.384 174.700 0.044 0.000 1.070 418 T CA 0.188 62.290 62.100 0.003 0.000 1.010 418 T CB 1.266 69.892 68.868 -0.403 0.000 1.264 418 T HN 0.770 nan 8.240 nan 0.000 0.532 419 E N 0.523 120.778 120.200 0.093 0.000 2.463 419 E HA -0.065 4.285 4.350 0.000 0.000 0.201 419 E C 1.499 178.097 176.600 -0.003 0.000 1.045 419 E CA 0.811 57.257 56.400 0.076 0.000 0.872 419 E CB -0.487 29.287 29.700 0.123 0.000 0.797 419 E HN 0.710 nan 8.360 nan 0.000 0.538 420 L N 0.198 121.345 121.223 -0.127 0.000 2.418 420 L HA 0.070 4.410 4.340 0.000 0.000 0.218 420 L C 0.578 177.306 176.870 -0.236 0.000 1.125 420 L CA 0.205 54.915 54.840 -0.216 0.000 0.835 420 L CB -0.194 41.656 42.059 -0.348 0.000 0.953 420 L HN 0.089 nan 8.230 nan 0.000 0.454 421 H N 0.176 119.233 119.070 -0.021 0.000 2.525 421 H HA 0.275 4.831 4.556 0.000 0.000 0.339 421 H C -0.348 175.025 175.328 0.074 0.000 1.109 421 H CA -0.339 55.726 56.048 0.030 0.000 1.352 421 H CB 1.009 30.837 29.762 0.110 0.000 1.461 421 H HN 0.099 nan 8.280 nan 0.000 0.533 422 E N 1.467 121.804 120.200 0.229 0.000 2.339 422 E HA 0.052 4.402 4.350 0.000 0.000 0.262 422 E C 0.496 177.190 176.600 0.157 0.000 0.934 422 E CA -0.733 55.758 56.400 0.152 0.000 0.802 422 E CB 1.794 31.557 29.700 0.105 0.000 1.275 422 E HN 0.595 nan 8.360 nan 0.000 0.427 423 E N 1.384 121.649 120.200 0.109 0.000 2.086 423 E HA -0.274 4.076 4.350 0.000 0.000 0.200 423 E C 1.574 178.228 176.600 0.091 0.000 1.012 423 E CA 2.340 58.792 56.400 0.087 0.000 0.812 423 E CB -0.008 29.727 29.700 0.059 0.000 0.743 423 E HN 0.590 nan 8.360 nan 0.000 0.453 424 E N -0.036 120.221 120.200 0.095 0.000 2.118 424 E HA -0.226 4.124 4.350 0.000 0.000 0.195 424 E C 1.501 178.188 176.600 0.144 0.000 0.992 424 E CA 1.404 57.864 56.400 0.099 0.000 0.804 424 E CB -0.300 29.454 29.700 0.090 0.000 0.741 424 E HN 0.297 nan 8.360 nan 0.000 0.458 425 D N 1.273 121.794 120.400 0.202 0.000 2.144 425 D HA -0.095 4.545 4.640 0.000 0.000 0.200 425 D C 2.222 178.699 176.300 0.295 0.000 0.978 425 D CA 0.863 55.059 54.000 0.327 0.000 0.833 425 D CB -0.119 40.940 40.800 0.432 0.000 0.961 425 D HN 0.262 nan 8.370 nan 0.000 0.470 426 L N 0.133 121.452 121.223 0.159 0.000 2.027 426 L HA -0.160 4.180 4.340 0.000 0.000 0.206 426 L C 2.388 179.199 176.870 -0.099 0.000 1.074 426 L CA 0.461 55.271 54.840 -0.051 0.000 0.745 426 L CB -0.369 41.685 42.059 -0.008 0.000 0.898 426 L HN 0.036 nan 8.230 nan 0.000 0.433 427 L N 0.288 121.499 121.223 -0.019 0.000 2.017 427 L HA -0.168 4.172 4.340 0.000 0.000 0.208 427 L C 2.826 179.669 176.870 -0.045 0.000 1.073 427 L CA 2.111 56.930 54.840 -0.036 0.000 0.745 427 L CB -1.408 40.654 42.059 0.003 0.000 0.894 427 L HN 0.188 nan 8.230 nan 0.000 0.432 428 A N -1.042 121.801 122.820 0.039 0.000 1.933 428 A HA -0.216 4.104 4.320 0.000 0.000 0.218 428 A C 2.281 179.766 177.584 -0.165 0.000 1.175 428 A CA 1.836 53.930 52.037 0.094 0.000 0.628 428 A CB -0.809 18.395 19.000 0.341 0.000 0.814 428 A HN 0.368 nan 8.150 nan 0.000 0.444 429 L N -0.264 120.827 121.223 -0.219 0.000 2.056 429 L HA -0.077 4.263 4.340 0.000 0.000 0.207 429 L C 2.433 179.008 176.870 -0.492 0.000 1.078 429 L CA 2.260 56.763 54.840 -0.561 0.000 0.749 429 L CB -0.560 41.145 42.059 -0.589 0.000 0.901 429 L HN 0.460 nan 8.230 nan 0.000 0.433 430 R N -0.722 119.569 120.500 -0.347 0.000 2.073 430 R HA -0.168 4.172 4.340 0.000 0.000 0.234 430 R C 2.120 178.276 176.300 -0.240 0.000 1.134 430 R CA 1.485 57.415 56.100 -0.283 0.000 0.952 430 R CB -0.155 30.015 30.300 -0.216 0.000 0.850 430 R HN 0.370 nan 8.270 nan 0.000 0.433 431 E N 0.453 120.528 120.200 -0.209 0.000 2.058 431 E HA -0.185 4.165 4.350 0.000 0.000 0.194 431 E C 1.871 178.352 176.600 -0.198 0.000 0.997 431 E CA 1.449 57.755 56.400 -0.157 0.000 0.801 431 E CB -0.375 29.268 29.700 -0.096 0.000 0.746 431 E HN 0.463 nan 8.360 nan 0.000 0.450 432 A N 1.130 123.738 122.820 -0.352 0.000 1.883 432 A HA -0.186 4.134 4.320 0.000 0.000 0.217 432 A C 2.289 179.721 177.584 -0.253 0.000 1.186 432 A CA 1.558 53.363 52.037 -0.388 0.000 0.624 432 A CB -0.737 17.689 19.000 -0.956 0.000 0.822 432 A HN 0.262 nan 8.150 nan 0.000 0.444 433 L N 0.035 121.095 121.223 -0.271 0.000 2.046 433 L HA -0.150 4.190 4.340 0.000 0.000 0.208 433 L C 2.344 179.140 176.870 -0.124 0.000 1.077 433 L CA 2.672 57.411 54.840 -0.167 0.000 0.747 433 L CB -0.584 41.360 42.059 -0.191 0.000 0.896 433 L HN 0.500 nan 8.230 nan 0.000 0.432 434 K N -0.481 119.837 120.400 -0.136 0.000 2.032 434 K HA -0.287 4.033 4.320 0.000 0.000 0.209 434 K C 2.163 178.719 176.600 -0.073 0.000 1.048 434 K CA 2.041 58.268 56.287 -0.100 0.000 0.927 434 K CB -0.250 32.190 32.500 -0.099 0.000 0.712 434 K HN 0.550 nan 8.250 nan 0.000 0.441 435 E N 0.317 120.472 120.200 -0.075 0.000 2.106 435 E HA -0.148 4.202 4.350 0.000 0.000 0.192 435 E C 1.822 178.401 176.600 -0.035 0.000 0.984 435 E CA 1.345 57.716 56.400 -0.048 0.000 0.806 435 E CB 0.094 29.768 29.700 -0.043 0.000 0.750 435 E HN 0.328 nan 8.360 nan 0.000 0.458 436 V N -0.633 119.256 119.914 -0.042 0.000 3.129 436 V HA 0.071 4.191 4.120 0.000 0.000 0.259 436 V C 0.937 177.020 176.094 -0.018 0.000 1.116 436 V CA 0.175 62.462 62.300 -0.021 0.000 1.127 436 V CB -0.176 31.638 31.823 -0.014 0.000 0.742 436 V HN -0.003 nan 8.190 nan 0.000 0.474 437 L N 0.000 121.205 121.223 -0.029 0.000 2.949 437 L HA 0.000 4.340 4.340 0.000 0.000 0.249 437 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 437 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502