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 1tnb_1_F DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.920 176.870 0.083 0.000 1.165 18 L CA 0.000 54.874 54.840 0.057 0.000 0.813 18 L CB 0.000 42.082 42.059 0.039 0.000 0.961 19 D N -0.146 120.306 120.400 0.087 0.000 2.449 19 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 19 D C -1.140 175.283 176.300 0.205 0.000 1.050 19 D CA -0.356 53.720 54.000 0.127 0.000 1.024 19 D CB 1.968 42.814 40.800 0.078 0.000 1.218 19 D HN 0.094 nan 8.370 nan 0.000 0.566 20 F N 0.668 120.660 119.950 0.069 0.000 2.361 20 F HA 0.303 4.830 4.527 -0.000 0.000 0.364 20 F C -0.491 175.352 175.800 0.072 0.000 1.120 20 F CA -1.335 56.738 58.000 0.122 0.000 1.102 20 F CB 0.630 39.715 39.000 0.142 0.000 1.183 20 F HN 0.107 nan 8.300 nan 0.000 0.476 21 L N 7.455 128.411 121.223 -0.445 0.000 2.697 21 L HA 0.127 4.467 4.340 -0.000 0.000 0.239 21 L C 2.069 178.450 176.870 -0.816 0.000 1.430 21 L CA 0.421 54.915 54.840 -0.576 0.000 1.193 21 L CB -1.409 40.299 42.059 -0.584 0.000 1.516 21 L HN 0.657 nan 8.230 nan 0.000 0.439 22 R N 0.878 120.899 120.500 -0.799 0.000 2.162 22 R HA -0.243 4.097 4.340 -0.000 0.000 0.245 22 R C 1.074 177.225 176.300 -0.249 0.000 1.129 22 R CA 2.413 58.198 56.100 -0.524 0.000 0.940 22 R CB -0.056 30.182 30.300 -0.104 0.000 0.875 22 R HN 0.497 nan 8.270 nan 0.000 0.437 23 D N -0.382 119.896 120.400 -0.204 0.000 2.144 23 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 23 D C 2.052 178.244 176.300 -0.179 0.000 0.984 23 D CA 0.920 54.841 54.000 -0.132 0.000 0.834 23 D CB -0.297 40.440 40.800 -0.106 0.000 0.955 23 D HN 0.122 nan 8.370 nan 0.000 0.465 24 R N 0.474 120.782 120.500 -0.319 0.000 2.091 24 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 24 R C 2.122 178.216 176.300 -0.342 0.000 1.136 24 R CA 1.356 57.237 56.100 -0.363 0.000 0.959 24 R CB -0.463 29.520 30.300 -0.528 0.000 0.856 24 R HN 0.340 nan 8.270 nan 0.000 0.437 25 H N -0.963 117.941 119.070 -0.276 0.000 2.428 25 H HA 0.012 4.568 4.556 -0.000 0.000 0.296 25 H C 2.040 177.266 175.328 -0.169 0.000 1.062 25 H CA 1.499 57.357 56.048 -0.316 0.000 1.350 25 H CB -0.234 29.337 29.762 -0.318 0.000 1.403 25 H HN 0.053 nan 8.280 nan 0.000 0.533 26 V N 1.221 121.177 119.914 0.072 0.000 2.295 26 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 26 V C 2.591 178.751 176.094 0.110 0.000 1.049 26 V CA 1.668 64.060 62.300 0.153 0.000 1.024 26 V CB -0.393 31.488 31.823 0.097 0.000 0.648 26 V HN 0.297 nan 8.190 nan 0.000 0.447 27 R N -0.971 119.546 120.500 0.027 0.000 2.081 27 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 27 R C 2.260 178.566 176.300 0.010 0.000 1.131 27 R CA 2.036 58.137 56.100 0.002 0.000 0.960 27 R CB -0.562 29.714 30.300 -0.039 0.000 0.856 27 R HN 0.543 nan 8.270 nan 0.000 0.436 28 F N 0.658 120.511 119.950 -0.162 0.000 2.091 28 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 28 F C 1.755 177.474 175.800 -0.135 0.000 1.103 28 F CA 1.639 59.516 58.000 -0.205 0.000 1.228 28 F CB -0.293 38.511 39.000 -0.326 0.000 0.984 28 F HN -0.068 nan 8.300 nan 0.000 0.477 29 F N 0.369 120.470 119.950 0.252 0.000 2.186 29 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 29 F C 2.546 178.316 175.800 -0.050 0.000 1.090 29 F CA 1.061 59.128 58.000 0.111 0.000 1.307 29 F CB -0.566 38.512 39.000 0.131 0.000 1.019 29 F HN 0.029 nan 8.300 nan 0.000 0.489 30 Q N 0.262 120.139 119.800 0.128 0.000 2.061 30 Q HA -0.212 4.127 4.340 -0.000 0.000 0.204 30 Q C 2.262 178.220 176.000 -0.070 0.000 0.984 30 Q CA 1.395 57.208 55.803 0.016 0.000 0.846 30 Q CB -0.353 28.385 28.738 0.000 0.000 0.902 30 Q HN 0.452 nan 8.270 nan 0.000 0.421 31 R N -0.006 120.414 120.500 -0.133 0.000 2.096 31 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 31 R C 2.481 178.638 176.300 -0.237 0.000 1.127 31 R CA 1.319 57.297 56.100 -0.204 0.000 0.968 31 R CB -0.508 29.626 30.300 -0.277 0.000 0.861 31 R HN 0.332 nan 8.270 nan 0.000 0.440 32 C N 0.739 119.885 119.300 -0.257 0.000 2.413 32 C HA -0.073 4.387 4.460 -0.000 0.000 0.276 32 C C 2.412 177.305 174.990 -0.162 0.000 1.248 32 C CA 0.391 59.279 59.018 -0.218 0.000 1.742 32 C CB -0.780 26.904 27.740 -0.094 0.000 2.017 32 C HN 0.384 nan 8.230 nan 0.000 0.481 33 L N 0.777 121.920 121.223 -0.133 0.000 2.376 33 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 33 L C 2.283 179.034 176.870 -0.199 0.000 1.133 33 L CA 1.536 56.273 54.840 -0.171 0.000 0.816 33 L CB -1.515 40.460 42.059 -0.141 0.000 0.933 33 L HN 0.592 nan 8.230 nan 0.000 0.449 34 Q N -1.163 118.534 119.800 -0.171 0.000 1.922 34 Q HA 0.137 4.477 4.340 -0.000 0.000 0.224 34 Q C -0.002 175.903 176.000 -0.159 0.000 0.973 34 Q CA 0.575 56.283 55.803 -0.159 0.000 0.858 34 Q CB 0.262 28.920 28.738 -0.134 0.000 0.910 34 Q HN 0.158 nan 8.270 nan 0.000 0.456 35 V N 0.819 120.641 119.914 -0.152 0.000 3.007 35 V HA 0.438 4.558 4.120 -0.000 0.000 0.311 35 V C -1.026 174.970 176.094 -0.163 0.000 1.120 35 V CA -0.722 61.499 62.300 -0.132 0.000 0.980 35 V CB 2.319 34.082 31.823 -0.099 0.000 1.033 35 V HN 0.241 nan 8.190 nan 0.000 0.429 36 L N 3.134 124.277 121.223 -0.134 0.000 2.370 36 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 36 L C -2.559 174.292 176.870 -0.031 0.000 1.002 36 L CA -1.777 52.953 54.840 -0.184 0.000 0.818 36 L CB 2.237 44.185 42.059 -0.185 0.000 1.325 36 L HN 0.444 nan 8.230 nan 0.000 0.418 37 P HA 0.058 nan 4.420 nan 0.000 0.271 37 P C 0.380 177.839 177.300 0.263 0.000 1.218 37 P CA -0.365 62.847 63.100 0.187 0.000 0.780 37 P CB 0.709 32.581 31.700 0.285 0.000 0.901 38 E N 1.960 122.244 120.200 0.140 0.000 2.393 38 E HA -0.296 4.054 4.350 -0.000 0.000 0.201 38 E C 1.903 178.555 176.600 0.087 0.000 1.025 38 E CA 0.988 57.450 56.400 0.104 0.000 0.856 38 E CB 0.054 29.791 29.700 0.060 0.000 0.771 38 E HN 0.395 nan 8.360 nan 0.000 0.526 39 R N -0.039 120.514 120.500 0.088 0.000 2.237 39 R HA -0.129 4.211 4.340 -0.000 0.000 0.219 39 R C 1.013 177.104 176.300 -0.347 0.000 1.080 39 R CA 1.429 57.449 56.100 -0.134 0.000 0.995 39 R CB -0.971 29.193 30.300 -0.228 0.000 0.875 39 R HN 0.289 nan 8.270 nan 0.000 0.462 40 Y N 0.500 120.820 120.300 0.035 0.000 2.625 40 Y HA 0.131 4.681 4.550 -0.000 0.000 0.285 40 Y C 2.368 178.291 175.900 0.038 0.000 1.168 40 Y CA -0.181 57.945 58.100 0.044 0.000 1.250 40 Y CB 0.030 38.516 38.460 0.044 0.000 1.130 40 Y HN 0.349 nan 8.280 nan 0.000 0.526 41 S N -0.738 115.020 115.700 0.097 0.000 2.400 41 S HA -0.223 4.247 4.470 -0.000 0.000 0.232 41 S C 1.963 176.591 174.600 0.047 0.000 1.025 41 S CA 1.366 59.609 58.200 0.071 0.000 0.993 41 S CB -0.765 62.462 63.200 0.045 0.000 0.808 41 S HN 0.481 nan 8.310 nan 0.000 0.478 42 S N 0.962 116.682 115.700 0.034 0.000 2.603 42 S HA 0.231 4.701 4.470 -0.000 0.000 0.229 42 S C 1.239 175.861 174.600 0.038 0.000 0.972 42 S CA 0.254 58.469 58.200 0.025 0.000 0.935 42 S CB -0.622 62.590 63.200 0.021 0.000 0.769 42 S HN 0.576 nan 8.310 nan 0.000 0.536 43 L N 0.152 121.416 121.223 0.068 0.000 2.766 43 L HA 0.327 4.667 4.340 -0.000 0.000 0.242 43 L C 2.284 179.177 176.870 0.038 0.000 1.136 43 L CA 0.097 54.984 54.840 0.078 0.000 0.933 43 L CB -0.060 42.090 42.059 0.151 0.000 1.241 43 L HN 0.195 nan 8.230 nan 0.000 0.522 44 E N 1.449 121.660 120.200 0.018 0.000 2.068 44 E HA -0.282 4.068 4.350 -0.000 0.000 0.207 44 E C 1.888 178.444 176.600 -0.075 0.000 1.032 44 E CA 2.512 58.912 56.400 0.001 0.000 0.839 44 E CB -0.270 29.421 29.700 -0.015 0.000 0.758 44 E HN 0.409 nan 8.360 nan 0.000 0.457 45 T N -2.647 111.765 114.554 -0.235 0.000 3.308 45 T HA 0.132 4.481 4.350 -0.000 0.000 0.255 45 T C 0.925 175.506 174.700 -0.199 0.000 1.162 45 T CA 0.663 62.536 62.100 -0.378 0.000 1.031 45 T CB -0.071 68.460 68.868 -0.561 0.000 0.973 45 T HN 0.017 nan 8.240 nan 0.000 0.544 46 S N -0.013 115.631 115.700 -0.093 0.000 3.009 46 S HA 0.307 4.777 4.470 -0.000 0.000 0.254 46 S C 1.407 176.008 174.600 0.002 0.000 1.004 46 S CA -0.740 57.417 58.200 -0.071 0.000 1.119 46 S CB 0.310 63.487 63.200 -0.038 0.000 1.075 46 S HN 0.376 nan 8.310 nan 0.000 0.618 47 R N 0.913 121.450 120.500 0.062 0.000 2.127 47 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 47 R C 1.958 178.362 176.300 0.173 0.000 1.134 47 R CA 1.074 57.258 56.100 0.140 0.000 0.975 47 R CB -0.380 30.059 30.300 0.232 0.000 0.865 47 R HN 0.254 nan 8.270 nan 0.000 0.447 48 L N 0.980 122.286 121.223 0.138 0.000 2.131 48 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 48 L C 2.314 179.154 176.870 -0.050 0.000 1.092 48 L CA 2.247 57.144 54.840 0.095 0.000 0.759 48 L CB -0.828 41.194 42.059 -0.062 0.000 0.903 48 L HN 0.304 nan 8.230 nan 0.000 0.435 49 T N -3.702 110.768 114.554 -0.140 0.000 2.951 49 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 49 T C 1.926 176.358 174.700 -0.446 0.000 1.073 49 T CA 0.890 62.787 62.100 -0.339 0.000 1.134 49 T CB -0.366 68.302 68.868 -0.334 0.000 0.884 49 T HN 0.182 nan 8.240 nan 0.000 0.479 50 I N 2.263 122.747 120.570 -0.143 0.000 2.353 50 I HA 0.075 4.245 4.170 -0.000 0.000 0.248 50 I C 3.117 179.215 176.117 -0.033 0.000 1.119 50 I CA 1.019 62.327 61.300 0.012 0.000 1.417 50 I CB -1.754 36.305 38.000 0.098 0.000 1.078 50 I HN 0.381 nan 8.210 nan 0.000 0.421 51 A N 0.909 123.711 122.820 -0.030 0.000 1.902 51 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 51 A C 2.290 179.793 177.584 -0.135 0.000 1.181 51 A CA 1.470 53.482 52.037 -0.042 0.000 0.623 51 A CB -1.068 18.001 19.000 0.115 0.000 0.818 51 A HN 0.390 nan 8.150 nan 0.000 0.443 52 F N -0.067 119.683 119.950 -0.334 0.000 2.075 52 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 52 F C 1.984 177.444 175.800 -0.567 0.000 1.113 52 F CA 1.625 59.336 58.000 -0.482 0.000 1.218 52 F CB -0.636 37.980 39.000 -0.640 0.000 0.984 52 F HN 0.254 nan 8.300 nan 0.000 0.472 53 F N 0.319 119.807 119.950 -0.769 0.000 2.120 53 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 53 F C 2.599 177.830 175.800 -0.950 0.000 1.095 53 F CA 0.728 58.103 58.000 -1.042 0.000 1.249 53 F CB -0.820 37.936 39.000 -0.406 0.000 0.995 53 F HN 0.165 nan 8.300 nan 0.000 0.480 54 A N 0.263 122.842 122.820 -0.401 0.000 1.872 54 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 54 A C 2.125 179.362 177.584 -0.579 0.000 1.187 54 A CA 0.993 52.750 52.037 -0.467 0.000 0.614 54 A CB -0.906 18.044 19.000 -0.082 0.000 0.826 54 A HN 0.331 nan 8.150 nan 0.000 0.442 55 L N -0.916 120.045 121.223 -0.438 0.000 2.027 55 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 55 L C 2.884 179.499 176.870 -0.426 0.000 1.074 55 L CA 1.561 56.196 54.840 -0.342 0.000 0.745 55 L CB -0.472 41.448 42.059 -0.231 0.000 0.898 55 L HN 0.453 nan 8.230 nan 0.000 0.433 56 S N -0.158 115.136 115.700 -0.676 0.000 2.402 56 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 56 S C 1.956 176.329 174.600 -0.378 0.000 1.021 56 S CA 1.206 59.043 58.200 -0.606 0.000 0.974 56 S CB -0.333 62.137 63.200 -1.217 0.000 0.800 56 S HN 0.531 nan 8.310 nan 0.000 0.484 57 G N 1.310 109.737 108.800 -0.623 0.000 2.402 57 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 57 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 57 G C 1.391 176.063 174.900 -0.380 0.000 1.162 57 G CA 0.675 45.394 45.100 -0.635 0.000 0.777 57 G HN 0.502 nan 8.290 nan 0.000 0.539 58 L N 0.317 121.313 121.223 -0.378 0.000 2.056 58 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 58 L C 2.603 179.451 176.870 -0.036 0.000 1.078 58 L CA 1.266 56.068 54.840 -0.063 0.000 0.749 58 L CB -0.328 41.701 42.059 -0.049 0.000 0.901 58 L HN 0.175 nan 8.230 nan 0.000 0.433 59 D N 0.214 120.557 120.400 -0.095 0.000 2.104 59 D HA -0.271 4.369 4.640 -0.000 0.000 0.194 59 D C 2.144 178.432 176.300 -0.020 0.000 0.994 59 D CA 1.558 55.526 54.000 -0.052 0.000 0.830 59 D CB 0.023 40.778 40.800 -0.075 0.000 0.959 59 D HN 0.032 nan 8.370 nan 0.000 0.452 60 M N -0.344 119.236 119.600 -0.032 0.000 2.267 60 M HA -0.007 4.473 4.480 -0.000 0.000 0.263 60 M C 1.669 177.988 176.300 0.031 0.000 1.063 60 M CA 1.094 56.384 55.300 -0.017 0.000 1.090 60 M CB -0.086 32.477 32.600 -0.063 0.000 1.392 60 M HN 0.092 nan 8.290 nan 0.000 0.422 61 L N -1.318 119.953 121.223 0.080 0.000 2.607 61 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 61 L C 0.204 177.136 176.870 0.103 0.000 1.123 61 L CA -0.105 54.822 54.840 0.145 0.000 0.890 61 L CB -0.340 41.862 42.059 0.238 0.000 1.103 61 L HN 0.264 nan 8.230 nan 0.000 0.468 62 D N 0.296 120.732 120.400 0.061 0.000 2.705 62 D HA -0.198 4.442 4.640 -0.000 0.000 0.240 62 D C 0.160 176.489 176.300 0.049 0.000 1.137 62 D CA 0.698 54.725 54.000 0.046 0.000 0.677 62 D CB -0.803 40.026 40.800 0.048 0.000 1.049 62 D HN 0.184 nan 8.370 nan 0.000 0.427 63 S N -0.246 115.483 115.700 0.049 0.000 2.977 63 S HA 0.213 4.683 4.470 -0.000 0.000 0.250 63 S C 1.519 176.137 174.600 0.030 0.000 1.005 63 S CA -0.590 57.639 58.200 0.048 0.000 1.081 63 S CB 0.240 63.486 63.200 0.076 0.000 1.018 63 S HN 0.386 nan 8.310 nan 0.000 0.539 64 L N 2.113 123.344 121.223 0.013 0.000 2.353 64 L HA -0.126 4.214 4.340 -0.000 0.000 0.220 64 L C 2.369 179.241 176.870 0.004 0.000 1.133 64 L CA 1.164 56.003 54.840 -0.001 0.000 0.798 64 L CB -0.296 41.757 42.059 -0.010 0.000 0.922 64 L HN 0.516 nan 8.230 nan 0.000 0.445 65 D N 0.176 120.582 120.400 0.011 0.000 2.218 65 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 65 D C 1.818 178.123 176.300 0.008 0.000 0.976 65 D CA 1.489 55.495 54.000 0.010 0.000 0.853 65 D CB -0.426 40.381 40.800 0.012 0.000 0.939 65 D HN 0.380 nan 8.370 nan 0.000 0.481 66 V N -0.304 119.616 119.914 0.010 0.000 3.383 66 V HA 0.045 4.165 4.120 -0.000 0.000 0.272 66 V C 0.882 176.975 176.094 -0.003 0.000 1.181 66 V CA 0.457 62.761 62.300 0.006 0.000 1.171 66 V CB -1.313 30.519 31.823 0.015 0.000 0.800 66 V HN 0.236 nan 8.190 nan 0.000 0.515 67 V N -2.577 117.334 119.914 -0.005 0.000 3.074 67 V HA 0.599 4.719 4.120 -0.000 0.000 0.314 67 V C -0.265 175.826 176.094 -0.006 0.000 1.117 67 V CA -1.000 61.292 62.300 -0.014 0.000 1.014 67 V CB 1.868 33.677 31.823 -0.023 0.000 1.057 67 V HN 0.263 nan 8.190 nan 0.000 0.438 68 N N 1.463 120.159 118.700 -0.006 0.000 2.521 68 N HA 0.271 5.011 4.740 -0.000 0.000 0.236 68 N C 0.760 176.283 175.510 0.022 0.000 1.067 68 N CA -0.180 52.875 53.050 0.008 0.000 0.939 68 N CB 1.105 39.596 38.487 0.007 0.000 1.201 68 N HN 0.791 nan 8.380 nan 0.000 0.511 69 K N 1.628 122.044 120.400 0.026 0.000 2.074 69 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 69 K C 0.768 177.409 176.600 0.067 0.000 1.048 69 K CA 1.406 57.717 56.287 0.039 0.000 0.926 69 K CB 0.232 32.753 32.500 0.035 0.000 0.713 69 K HN 0.516 nan 8.250 nan 0.000 0.444 70 D N 1.027 121.468 120.400 0.068 0.000 2.097 70 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 70 D C 1.574 177.946 176.300 0.120 0.000 0.989 70 D CA 1.207 55.261 54.000 0.091 0.000 0.827 70 D CB -0.220 40.623 40.800 0.073 0.000 0.966 70 D HN 0.186 nan 8.370 nan 0.000 0.456 71 D N 0.748 121.208 120.400 0.099 0.000 2.097 71 D HA -0.092 4.548 4.640 -0.000 0.000 0.195 71 D C 2.362 178.772 176.300 0.185 0.000 0.989 71 D CA 0.445 54.518 54.000 0.122 0.000 0.827 71 D CB -0.351 40.486 40.800 0.063 0.000 0.966 71 D HN 0.291 nan 8.370 nan 0.000 0.456 72 I N 0.837 121.492 120.570 0.143 0.000 2.226 72 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 72 I C 2.427 178.710 176.117 0.276 0.000 1.100 72 I CA 0.714 62.133 61.300 0.199 0.000 1.374 72 I CB -0.202 37.856 38.000 0.097 0.000 1.057 72 I HN -0.037 nan 8.210 nan 0.000 0.413 73 I N 0.527 121.216 120.570 0.198 0.000 2.286 73 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 73 I C 2.518 178.806 176.117 0.284 0.000 1.115 73 I CA 1.188 62.603 61.300 0.191 0.000 1.392 73 I CB -0.403 37.715 38.000 0.196 0.000 1.065 73 I HN 0.255 nan 8.210 nan 0.000 0.418 74 E N -0.077 120.310 120.200 0.311 0.000 2.106 74 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 74 E C 1.727 178.531 176.600 0.340 0.000 0.984 74 E CA 1.136 57.737 56.400 0.334 0.000 0.806 74 E CB -0.461 29.446 29.700 0.345 0.000 0.750 74 E HN 0.613 nan 8.360 nan 0.000 0.458 75 W N 1.925 123.363 121.300 0.231 0.000 2.355 75 W HA -0.130 4.530 4.660 -0.000 0.000 0.309 75 W C 1.996 178.578 176.519 0.105 0.000 1.206 75 W CA 1.424 58.908 57.345 0.231 0.000 1.284 75 W CB -0.448 29.119 29.460 0.179 0.000 1.145 75 W HN -0.069 nan 8.180 nan 0.000 0.502 76 I N -0.582 119.995 120.570 0.012 0.000 2.163 76 I HA -0.375 3.795 4.170 -0.000 0.000 0.243 76 I C 2.129 178.143 176.117 -0.173 0.000 1.085 76 I CA 1.534 62.681 61.300 -0.254 0.000 1.347 76 I CB -0.948 36.953 38.000 -0.166 0.000 1.044 76 I HN -0.065 nan 8.210 nan 0.000 0.408 77 Y N 1.132 121.417 120.300 -0.025 0.000 2.403 77 Y HA -0.204 4.346 4.550 -0.000 0.000 0.291 77 Y C 2.907 178.652 175.900 -0.258 0.000 1.143 77 Y CA 1.354 59.419 58.100 -0.058 0.000 1.257 77 Y CB -0.598 37.835 38.460 -0.045 0.000 0.984 77 Y HN 0.273 nan 8.280 nan 0.000 0.550 78 S N -1.054 114.494 115.700 -0.253 0.000 2.555 78 S HA -0.041 4.429 4.470 -0.000 0.000 0.230 78 S C 1.426 175.788 174.600 -0.396 0.000 0.978 78 S CA 0.567 58.465 58.200 -0.503 0.000 0.934 78 S CB -0.602 62.027 63.200 -0.951 0.000 0.766 78 S HN 0.487 nan 8.310 nan 0.000 0.533 79 L N 0.495 121.508 121.223 -0.350 0.000 2.607 79 L HA 0.306 4.646 4.340 -0.000 0.000 0.228 79 L C 1.178 177.844 176.870 -0.340 0.000 1.123 79 L CA -0.071 54.592 54.840 -0.296 0.000 0.890 79 L CB -0.075 41.809 42.059 -0.293 0.000 1.103 79 L HN 0.396 nan 8.230 nan 0.000 0.468 80 Q N 1.344 120.816 119.800 -0.546 0.000 2.288 80 Q HA 0.203 4.543 4.340 -0.000 0.000 0.258 80 Q C -0.683 174.999 176.000 -0.530 0.000 0.957 80 Q CA -0.286 54.932 55.803 -0.974 0.000 0.919 80 Q CB 1.541 29.661 28.738 -1.030 0.000 1.185 80 Q HN -0.018 nan 8.270 nan 0.000 0.408 81 V N 7.015 126.653 119.914 -0.460 0.000 2.338 81 V HA 0.147 4.267 4.120 -0.000 0.000 0.255 81 V C 0.200 176.148 176.094 -0.244 0.000 1.082 81 V CA -0.100 62.035 62.300 -0.274 0.000 0.951 81 V CB -0.092 31.614 31.823 -0.194 0.000 1.102 81 V HN 0.722 nan 8.190 nan 0.000 0.489 82 L N 7.846 128.942 121.223 -0.212 0.000 2.399 82 L HA 0.450 4.790 4.340 -0.000 0.000 0.266 82 L C -1.805 174.991 176.870 -0.122 0.000 1.114 82 L CA -1.792 52.947 54.840 -0.167 0.000 0.804 82 L CB 1.152 43.118 42.059 -0.155 0.000 1.146 82 L HN 0.365 nan 8.230 nan 0.000 0.451 83 P HA 0.060 nan 4.420 nan 0.000 0.271 83 P C -0.443 176.813 177.300 -0.074 0.000 1.216 83 P CA -0.339 62.712 63.100 -0.081 0.000 0.776 83 P CB 0.659 32.316 31.700 -0.072 0.000 0.881 84 T N -1.588 112.927 114.554 -0.064 0.000 2.732 84 T HA 0.278 4.628 4.350 -0.000 0.000 0.287 84 T C 1.738 176.407 174.700 -0.051 0.000 0.993 84 T CA 0.306 62.372 62.100 -0.056 0.000 0.966 84 T CB -0.335 68.504 68.868 -0.050 0.000 1.047 84 T HN 0.431 nan 8.240 nan 0.000 0.527 85 E N 1.094 121.266 120.200 -0.046 0.000 2.048 85 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 85 E C 1.572 178.148 176.600 -0.039 0.000 1.021 85 E CA 2.133 58.508 56.400 -0.042 0.000 0.825 85 E CB -1.706 27.971 29.700 -0.037 0.000 0.756 85 E HN 0.998 nan 8.360 nan 0.000 0.454 86 D N -0.747 119.631 120.400 -0.038 0.000 2.371 86 D HA -0.077 4.563 4.640 -0.000 0.000 0.221 86 D C 0.622 176.899 176.300 -0.037 0.000 0.986 86 D CA 0.513 54.491 54.000 -0.035 0.000 0.899 86 D CB -0.362 40.418 40.800 -0.034 0.000 0.902 86 D HN 0.522 nan 8.370 nan 0.000 0.530 87 R N -0.578 119.897 120.500 -0.042 0.000 3.627 87 R HA -0.177 4.163 4.340 -0.000 0.000 0.281 87 R C 0.749 177.024 176.300 -0.041 0.000 1.140 87 R CA 0.862 56.936 56.100 -0.044 0.000 0.761 87 R CB -2.842 27.433 30.300 -0.042 0.000 1.181 87 R HN 0.497 nan 8.270 nan 0.000 0.472 88 S N 0.033 115.708 115.700 -0.041 0.000 2.558 88 S HA -0.045 4.425 4.470 -0.000 0.000 0.217 88 S C 1.114 175.688 174.600 -0.043 0.000 0.975 88 S CA 0.448 58.624 58.200 -0.040 0.000 0.912 88 S CB 0.065 63.242 63.200 -0.039 0.000 0.776 88 S HN 0.547 nan 8.310 nan 0.000 0.526 89 N N 1.209 119.881 118.700 -0.047 0.000 2.275 89 N HA 0.203 4.943 4.740 -0.000 0.000 0.236 89 N C 0.964 176.444 175.510 -0.051 0.000 1.154 89 N CA -0.345 52.675 53.050 -0.050 0.000 0.866 89 N CB -0.467 37.987 38.487 -0.055 0.000 1.093 89 N HN 0.334 nan 8.380 nan 0.000 0.515 90 L N 0.257 121.452 121.223 -0.046 0.000 2.042 90 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 90 L C 0.960 177.807 176.870 -0.039 0.000 1.076 90 L CA 1.489 56.302 54.840 -0.045 0.000 0.749 90 L CB -0.299 41.737 42.059 -0.039 0.000 0.893 90 L HN 0.073 nan 8.230 nan 0.000 0.432 91 D N -0.130 120.249 120.400 -0.034 0.000 2.403 91 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 91 D C 1.541 177.823 176.300 -0.031 0.000 0.995 91 D CA 0.798 54.781 54.000 -0.028 0.000 0.928 91 D CB 0.062 40.846 40.800 -0.026 0.000 0.887 91 D HN 0.333 nan 8.370 nan 0.000 0.529 92 R N -1.014 119.462 120.500 -0.040 0.000 2.535 92 R HA 0.228 4.568 4.340 -0.000 0.000 0.323 92 R C 0.016 176.284 176.300 -0.055 0.000 0.979 92 R CA -0.239 55.836 56.100 -0.043 0.000 1.120 92 R CB 0.440 30.712 30.300 -0.045 0.000 1.306 92 R HN 0.050 nan 8.270 nan 0.000 0.540 93 C N 0.764 120.029 119.300 -0.059 0.000 2.520 93 C HA 0.767 5.227 4.460 -0.000 0.000 0.376 93 C C 1.406 176.360 174.990 -0.060 0.000 1.268 93 C CA 0.301 59.271 59.018 -0.081 0.000 2.414 93 C CB 0.945 28.634 27.740 -0.086 0.000 2.521 93 C HN 0.780 nan 8.230 nan 0.000 0.618 94 G N 0.567 109.311 108.800 -0.094 0.000 2.366 94 G HA2 0.278 4.238 3.960 -0.000 0.000 0.190 94 G HA3 0.278 4.238 3.960 -0.000 0.000 0.190 94 G C -1.605 173.246 174.900 -0.081 0.000 1.299 94 G CA -0.517 44.595 45.100 0.021 0.000 1.056 94 G HN 0.428 nan 8.290 nan 0.000 0.468 95 F N 1.124 121.029 119.950 -0.075 0.000 2.579 95 F HA 0.780 5.307 4.527 -0.000 0.000 0.324 95 F C 0.872 176.630 175.800 -0.071 0.000 1.058 95 F CA -0.746 57.193 58.000 -0.102 0.000 0.944 95 F CB 2.053 40.967 39.000 -0.143 0.000 1.245 95 F HN 0.385 nan 8.300 nan 0.000 0.477 96 R N -0.022 120.522 120.500 0.073 0.000 2.573 96 R HA 0.466 4.806 4.340 -0.000 0.000 0.272 96 R C 0.980 177.311 176.300 0.052 0.000 1.009 96 R CA -0.325 55.808 56.100 0.056 0.000 1.059 96 R CB 0.752 31.038 30.300 -0.024 0.000 1.112 96 R HN 0.912 nan 8.270 nan 0.000 0.517 97 G N 0.016 108.870 108.800 0.090 0.000 2.448 97 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 97 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 97 G C 0.335 175.278 174.900 0.071 0.000 1.135 97 G CA 0.944 46.056 45.100 0.020 0.000 0.784 97 G HN 0.634 nan 8.290 nan 0.000 0.543 98 S N -1.994 113.806 115.700 0.167 0.000 2.694 98 S HA 0.344 4.814 4.470 -0.000 0.000 0.273 98 S C 0.447 175.154 174.600 0.178 0.000 1.180 98 S CA 0.494 58.812 58.200 0.197 0.000 0.864 98 S CB 0.739 64.115 63.200 0.292 0.000 1.198 98 S HN 0.490 nan 8.310 nan 0.000 0.499 99 S N 0.243 116.052 115.700 0.181 0.000 2.660 99 S HA 0.106 4.576 4.470 -0.000 0.000 0.227 99 S C 1.346 175.984 174.600 0.063 0.000 0.948 99 S CA 0.213 58.461 58.200 0.079 0.000 0.948 99 S CB -1.354 61.932 63.200 0.144 0.000 0.779 99 S HN 1.004 nan 8.310 nan 0.000 0.487 100 Y N 0.780 121.106 120.300 0.044 0.000 2.446 100 Y HA 0.045 4.595 4.550 -0.000 0.000 0.287 100 Y C 1.445 177.362 175.900 0.027 0.000 1.159 100 Y CA 0.389 58.514 58.100 0.041 0.000 1.297 100 Y CB -0.684 37.796 38.460 0.034 0.000 0.974 100 Y HN 0.304 nan 8.280 nan 0.000 0.557 101 L N 0.372 121.235 121.223 -0.599 0.000 2.492 101 L HA 0.165 4.505 4.340 -0.000 0.000 0.223 101 L C 1.786 178.584 176.870 -0.120 0.000 1.132 101 L CA 0.999 55.584 54.840 -0.425 0.000 0.850 101 L CB -0.605 41.080 42.059 -0.622 0.000 0.966 101 L HN 0.674 nan 8.230 nan 0.000 0.454 102 G N 0.784 109.543 108.800 -0.068 0.000 2.132 102 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.234 102 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.234 102 G C 0.216 175.133 174.900 0.029 0.000 0.989 102 G CA -0.328 44.782 45.100 0.017 0.000 0.676 102 G HN 0.258 nan 8.290 nan 0.000 0.522 103 I N 2.789 123.351 120.570 -0.014 0.000 2.496 103 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 103 I C -0.822 175.311 176.117 0.027 0.000 1.080 103 I CA -1.659 59.643 61.300 0.004 0.000 1.404 103 I CB 0.709 38.674 38.000 -0.059 0.000 1.403 103 I HN 0.027 nan 8.210 nan 0.000 0.539 104 P HA -0.100 nan 4.420 nan 0.000 0.261 104 P C -0.402 176.960 177.300 0.103 0.000 1.183 104 P CA -0.068 63.081 63.100 0.082 0.000 0.761 104 P CB 0.285 32.021 31.700 0.061 0.000 0.785 105 F N 3.879 123.833 119.950 0.008 0.000 2.580 105 F HA -0.052 4.475 4.527 -0.000 0.000 0.398 105 F C 0.533 176.333 175.800 0.001 0.000 1.023 105 F CA 0.909 58.916 58.000 0.012 0.000 1.188 105 F CB -0.059 38.965 39.000 0.040 0.000 1.005 105 F HN 0.387 nan 8.300 nan 0.000 0.546 106 N N 7.603 126.020 118.700 -0.471 0.000 2.664 106 N HA 0.284 5.024 4.740 -0.000 0.000 0.268 106 N C -2.877 172.363 175.510 -0.450 0.000 1.222 106 N CA -1.747 51.109 53.050 -0.323 0.000 0.805 106 N CB 1.301 39.691 38.487 -0.162 0.000 1.399 106 N HN 0.152 nan 8.380 nan 0.000 0.547 107 P HA 0.060 nan 4.420 nan 0.000 0.237 107 P C -0.677 176.517 177.300 -0.177 0.000 1.701 107 P CA 0.225 63.157 63.100 -0.280 0.000 0.955 107 P CB -0.595 31.036 31.700 -0.115 0.000 1.937 108 S N -1.015 114.573 115.700 -0.186 0.000 3.549 108 S HA -0.229 4.240 4.470 -0.000 0.000 0.366 108 S C 1.442 175.930 174.600 -0.187 0.000 1.012 108 S CA 1.628 59.719 58.200 -0.182 0.000 1.141 108 S CB -1.684 61.410 63.200 -0.176 0.000 0.910 108 S HN 0.719 nan 8.310 nan 0.000 0.471 109 K N 0.175 120.486 120.400 -0.147 0.000 2.190 109 K HA 0.211 4.531 4.320 -0.000 0.000 0.202 109 K C 0.573 177.117 176.600 -0.092 0.000 1.045 109 K CA 0.989 57.209 56.287 -0.112 0.000 0.976 109 K CB -0.052 32.403 32.500 -0.074 0.000 0.849 109 K HN 0.542 nan 8.250 nan 0.000 0.468 110 N N 0.491 119.140 118.700 -0.085 0.000 2.502 110 N HA 0.380 5.120 4.740 -0.000 0.000 0.280 110 N C -2.599 172.863 175.510 -0.081 0.000 1.223 110 N CA -1.682 51.326 53.050 -0.070 0.000 0.966 110 N CB 1.149 39.605 38.487 -0.052 0.000 1.203 110 N HN 0.178 nan 8.380 nan 0.000 0.565 111 P HA 0.110 nan 4.420 nan 0.000 0.273 111 P C 0.036 177.291 177.300 -0.076 0.000 1.250 111 P CA -0.266 62.790 63.100 -0.073 0.000 0.793 111 P CB 0.226 31.891 31.700 -0.059 0.000 1.011 112 G N 0.361 109.113 108.800 -0.081 0.000 2.380 112 G HA2 0.240 4.200 3.960 -0.000 0.000 0.242 112 G HA3 0.240 4.200 3.960 -0.000 0.000 0.242 112 G C -0.233 174.631 174.900 -0.059 0.000 1.298 112 G CA -0.099 44.953 45.100 -0.081 0.000 0.878 112 G HN 0.416 nan 8.290 nan 0.000 0.542 113 T N 2.070 116.593 114.554 -0.051 0.000 2.738 113 T HA 0.517 4.867 4.350 -0.000 0.000 0.298 113 T C 0.886 175.580 174.700 -0.009 0.000 0.962 113 T CA 0.085 62.168 62.100 -0.028 0.000 0.972 113 T CB 1.108 69.966 68.868 -0.017 0.000 0.928 113 T HN 0.906 nan 8.240 nan 0.000 0.474 114 A N 3.312 126.124 122.820 -0.014 0.000 2.586 114 A HA 0.262 4.582 4.320 -0.000 0.000 0.231 114 A C 0.267 177.880 177.584 0.049 0.000 1.055 114 A CA 0.351 52.386 52.037 -0.004 0.000 0.756 114 A CB -0.004 18.978 19.000 -0.029 0.000 0.988 114 A HN 0.923 nan 8.150 nan 0.000 0.509 115 H N 3.047 122.074 119.070 -0.072 0.000 3.163 115 H HA 0.217 4.773 4.556 -0.000 0.000 0.322 115 H C -2.326 172.938 175.328 -0.106 0.000 1.047 115 H CA -0.897 55.113 56.048 -0.063 0.000 1.418 115 H CB 1.711 31.445 29.762 -0.047 0.000 2.016 115 H HN 0.430 nan 8.280 nan 0.000 0.454 116 P HA -0.155 nan 4.420 nan 0.000 0.217 116 P C 0.229 177.260 177.300 -0.449 0.000 1.148 116 P CA 1.466 64.407 63.100 -0.265 0.000 0.834 116 P CB 0.252 31.717 31.700 -0.391 0.000 0.783 117 Y N -1.480 119.037 120.300 0.362 0.000 2.641 117 Y HA 0.313 4.862 4.550 -0.000 0.000 0.248 117 Y C 0.287 176.124 175.900 -0.106 0.000 1.170 117 Y CA -1.057 57.105 58.100 0.102 0.000 1.201 117 Y CB 0.014 38.545 38.460 0.118 0.000 1.232 117 Y HN -0.118 nan 8.280 nan 0.000 0.537 118 D N 0.848 121.178 120.400 -0.116 0.000 2.313 118 D HA 0.495 5.135 4.640 -0.000 0.000 0.239 118 D C -0.429 175.809 176.300 -0.103 0.000 1.142 118 D CA 0.383 54.243 54.000 -0.234 0.000 0.847 118 D CB 0.746 41.349 40.800 -0.328 0.000 1.082 118 D HN 0.000 nan 8.370 nan 0.000 0.480 119 S N 1.269 116.928 115.700 -0.068 0.000 2.638 119 S HA 0.799 5.269 4.470 -0.000 0.000 0.274 119 S C 0.045 174.635 174.600 -0.016 0.000 1.157 119 S CA -0.870 57.307 58.200 -0.038 0.000 0.826 119 S CB 1.606 64.802 63.200 -0.007 0.000 1.139 119 S HN 0.495 nan 8.310 nan 0.000 0.474 120 G N 0.061 108.853 108.800 -0.013 0.000 2.547 120 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 120 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 120 G C -1.030 173.912 174.900 0.070 0.000 1.211 120 G CA -0.087 45.030 45.100 0.029 0.000 0.950 120 G HN 0.632 nan 8.290 nan 0.000 0.504 121 H N 0.618 119.684 119.070 -0.007 0.000 2.744 121 H HA 0.223 4.779 4.556 -0.000 0.000 0.339 121 H C 1.068 176.355 175.328 -0.068 0.000 1.004 121 H CA -0.690 55.328 56.048 -0.050 0.000 1.257 121 H CB 1.798 31.547 29.762 -0.022 0.000 1.552 121 H HN 0.393 nan 8.280 nan 0.000 0.522 122 I N 3.997 124.379 120.570 -0.313 0.000 2.181 122 I HA -0.362 3.808 4.170 -0.000 0.000 0.247 122 I C 1.917 178.057 176.117 0.038 0.000 1.081 122 I CA 2.017 63.207 61.300 -0.184 0.000 1.340 122 I CB -0.059 37.734 38.000 -0.345 0.000 1.036 122 I HN 0.707 nan 8.210 nan 0.000 0.417 123 A N -0.212 122.756 122.820 0.247 0.000 2.014 123 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 123 A C 2.101 179.783 177.584 0.163 0.000 1.163 123 A CA 1.125 53.371 52.037 0.349 0.000 0.652 123 A CB -0.273 19.013 19.000 0.477 0.000 0.808 123 A HN 0.430 nan 8.150 nan 0.000 0.449 124 M N -0.759 118.943 119.600 0.171 0.000 2.334 124 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 124 M C 1.998 178.244 176.300 -0.089 0.000 1.082 124 M CA 1.521 56.815 55.300 -0.010 0.000 1.141 124 M CB -1.946 30.679 32.600 0.042 0.000 1.380 124 M HN 0.319 nan 8.290 nan 0.000 0.440 125 T N 0.465 115.027 114.554 0.014 0.000 2.777 125 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 125 T C 1.690 176.273 174.700 -0.197 0.000 1.040 125 T CA 1.382 63.459 62.100 -0.038 0.000 1.141 125 T CB -0.435 68.486 68.868 0.088 0.000 0.868 125 T HN 0.353 nan 8.240 nan 0.000 0.444 126 Y N 3.101 123.269 120.300 -0.221 0.000 2.070 126 Y HA -0.204 4.346 4.550 -0.000 0.000 0.279 126 Y C 2.688 178.369 175.900 -0.365 0.000 1.134 126 Y CA 1.937 59.873 58.100 -0.273 0.000 1.113 126 Y CB -1.327 36.995 38.460 -0.231 0.000 0.981 126 Y HN 0.293 nan 8.280 nan 0.000 0.487 127 T N -1.834 112.138 114.554 -0.970 0.000 2.833 127 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 127 T C 2.213 176.523 174.700 -0.650 0.000 1.054 127 T CA 1.168 62.611 62.100 -1.095 0.000 1.135 127 T CB -1.393 66.971 68.868 -0.839 0.000 0.869 127 T HN 0.455 nan 8.240 nan 0.000 0.466 128 G N 1.932 110.366 108.800 -0.610 0.000 2.453 128 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.215 128 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.215 128 G C 1.496 175.967 174.900 -0.715 0.000 1.201 128 G CA 0.741 45.391 45.100 -0.750 0.000 0.784 128 G HN 0.505 nan 8.290 nan 0.000 0.545 129 L N 0.550 121.361 121.223 -0.686 0.000 2.042 129 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 129 L C 3.113 179.829 176.870 -0.257 0.000 1.076 129 L CA 1.375 55.972 54.840 -0.405 0.000 0.749 129 L CB -0.539 41.377 42.059 -0.238 0.000 0.893 129 L HN 0.341 nan 8.230 nan 0.000 0.432 130 S N -0.897 114.631 115.700 -0.288 0.000 2.359 130 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 130 S C 2.192 176.732 174.600 -0.100 0.000 1.035 130 S CA 1.708 59.797 58.200 -0.186 0.000 1.018 130 S CB -0.338 62.621 63.200 -0.400 0.000 0.876 130 S HN 0.506 nan 8.310 nan 0.000 0.448 131 C N 1.042 120.255 119.300 -0.145 0.000 2.432 131 C HA 0.021 4.481 4.460 -0.000 0.000 0.277 131 C C 2.541 177.474 174.990 -0.095 0.000 1.249 131 C CA 0.717 59.686 59.018 -0.080 0.000 1.725 131 C CB -1.596 26.090 27.740 -0.090 0.000 2.028 131 C HN 0.591 nan 8.230 nan 0.000 0.477 132 L N 0.377 121.504 121.223 -0.161 0.000 2.012 132 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 132 L C 2.394 179.237 176.870 -0.045 0.000 1.073 132 L CA 1.675 56.439 54.840 -0.127 0.000 0.748 132 L CB -0.567 41.365 42.059 -0.211 0.000 0.891 132 L HN 0.379 nan 8.230 nan 0.000 0.431 133 I N -0.253 120.291 120.570 -0.044 0.000 2.179 133 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 133 I C 2.427 178.535 176.117 -0.015 0.000 1.088 133 I CA 1.492 62.782 61.300 -0.017 0.000 1.357 133 I CB -0.267 37.719 38.000 -0.023 0.000 1.051 133 I HN 0.191 nan 8.210 nan 0.000 0.409 134 I N 0.576 121.134 120.570 -0.019 0.000 2.286 134 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 134 I C 2.160 178.266 176.117 -0.019 0.000 1.115 134 I CA 1.457 62.745 61.300 -0.021 0.000 1.392 134 I CB -0.249 37.728 38.000 -0.038 0.000 1.065 134 I HN 0.233 nan 8.210 nan 0.000 0.418 135 L N 0.297 121.511 121.223 -0.015 0.000 2.599 135 L HA 0.107 4.447 4.340 -0.000 0.000 0.230 135 L C 1.649 178.530 176.870 0.020 0.000 1.141 135 L CA 0.686 55.527 54.840 0.002 0.000 0.877 135 L CB -0.323 41.743 42.059 0.011 0.000 1.009 135 L HN 0.533 nan 8.230 nan 0.000 0.447 136 G N -0.052 108.759 108.800 0.018 0.000 2.195 136 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 136 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 136 G C 0.148 175.081 174.900 0.055 0.000 0.984 136 G CA 0.239 45.357 45.100 0.029 0.000 0.633 136 G HN 0.443 nan 8.290 nan 0.000 0.525 137 D N 0.718 121.162 120.400 0.073 0.000 2.378 137 D HA 0.394 5.034 4.640 -0.000 0.000 0.238 137 D C 1.333 177.715 176.300 0.136 0.000 1.180 137 D CA 0.605 54.680 54.000 0.125 0.000 0.895 137 D CB 0.502 41.401 40.800 0.165 0.000 1.192 137 D HN 0.276 nan 8.370 nan 0.000 0.438 138 D N 1.731 122.238 120.400 0.179 0.000 2.368 138 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 138 D C 0.674 177.170 176.300 0.327 0.000 1.112 138 D CA -0.265 53.871 54.000 0.227 0.000 0.834 138 D CB -0.082 40.845 40.800 0.211 0.000 0.953 138 D HN 0.322 nan 8.370 nan 0.000 0.505 139 L N 0.259 121.663 121.223 0.302 0.000 4.429 139 L HA -0.299 4.041 4.340 -0.000 0.000 0.422 139 L C 1.776 178.770 176.870 0.206 0.000 1.149 139 L CA 1.047 56.076 54.840 0.315 0.000 0.972 139 L CB -2.957 39.321 42.059 0.364 0.000 2.059 139 L HN 0.336 nan 8.230 nan 0.000 0.870 140 S N -1.212 114.578 115.700 0.150 0.000 2.399 140 S HA -0.115 4.354 4.470 -0.000 0.000 0.231 140 S C 1.656 176.235 174.600 -0.034 0.000 1.022 140 S CA 1.220 59.429 58.200 0.015 0.000 0.983 140 S CB -0.219 62.987 63.200 0.010 0.000 0.803 140 S HN 0.656 nan 8.310 nan 0.000 0.480 141 R N 0.793 121.269 120.500 -0.040 0.000 2.320 141 R HA 0.317 4.657 4.340 -0.000 0.000 0.211 141 R C -0.575 175.751 176.300 0.043 0.000 0.931 141 R CA -0.075 55.905 56.100 -0.199 0.000 1.071 141 R CB 0.106 29.926 30.300 -0.799 0.000 1.025 141 R HN 0.256 nan 8.270 nan 0.000 0.495 142 V N 1.795 121.825 119.914 0.194 0.000 2.432 142 V HA 0.014 4.134 4.120 -0.000 0.000 0.275 142 V C 0.274 176.391 176.094 0.037 0.000 1.043 142 V CA -0.598 61.831 62.300 0.215 0.000 0.925 142 V CB 1.424 33.397 31.823 0.249 0.000 0.985 142 V HN 0.090 nan 8.190 nan 0.000 0.466 143 D N 4.783 125.182 120.400 -0.002 0.000 2.608 143 D HA 0.091 4.731 4.640 -0.000 0.000 0.224 143 D C 1.364 177.637 176.300 -0.045 0.000 1.123 143 D CA -0.002 53.967 54.000 -0.053 0.000 1.030 143 D CB 0.329 41.084 40.800 -0.075 0.000 1.093 143 D HN 0.510 nan 8.370 nan 0.000 0.497 144 K N 1.012 121.374 120.400 -0.063 0.000 2.077 144 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 144 K C 1.465 178.028 176.600 -0.062 0.000 1.051 144 K CA 1.135 57.380 56.287 -0.070 0.000 0.929 144 K CB 0.215 32.625 32.500 -0.149 0.000 0.715 144 K HN 0.351 nan 8.250 nan 0.000 0.451 145 E N 0.277 120.434 120.200 -0.072 0.000 2.072 145 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 145 E C 2.083 178.655 176.600 -0.046 0.000 0.985 145 E CA 1.149 57.514 56.400 -0.058 0.000 0.801 145 E CB -0.227 29.437 29.700 -0.060 0.000 0.750 145 E HN 0.347 nan 8.360 nan 0.000 0.452 146 A N 0.864 123.654 122.820 -0.050 0.000 1.877 146 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 146 A C 2.662 180.224 177.584 -0.037 0.000 1.186 146 A CA 1.517 53.524 52.037 -0.049 0.000 0.620 146 A CB -0.965 17.996 19.000 -0.066 0.000 0.822 146 A HN 0.345 nan 8.150 nan 0.000 0.443 147 C N -0.708 118.577 119.300 -0.024 0.000 2.432 147 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 147 C C 2.642 177.626 174.990 -0.011 0.000 1.249 147 C CA 1.063 60.081 59.018 0.000 0.000 1.725 147 C CB -1.557 26.209 27.740 0.043 0.000 2.028 147 C HN 0.630 nan 8.230 nan 0.000 0.477 148 L N 1.031 122.241 121.223 -0.023 0.000 2.083 148 L HA -0.168 4.171 4.340 -0.000 0.000 0.209 148 L C 2.857 179.724 176.870 -0.005 0.000 1.083 148 L CA 1.529 56.356 54.840 -0.023 0.000 0.752 148 L CB -0.774 41.266 42.059 -0.032 0.000 0.899 148 L HN 0.365 nan 8.230 nan 0.000 0.433 149 A N 0.385 123.198 122.820 -0.013 0.000 1.877 149 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 149 A C 2.427 180.009 177.584 -0.003 0.000 1.186 149 A CA 1.708 53.739 52.037 -0.009 0.000 0.620 149 A CB -1.220 17.768 19.000 -0.021 0.000 0.822 149 A HN 0.425 nan 8.150 nan 0.000 0.443 150 G N -0.425 108.370 108.800 -0.009 0.000 2.418 150 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 150 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 150 G C 1.591 176.499 174.900 0.014 0.000 1.158 150 G CA 0.914 46.009 45.100 -0.008 0.000 0.771 150 G HN 0.406 nan 8.290 nan 0.000 0.545 151 L N -0.069 121.167 121.223 0.021 0.000 1.989 151 L HA -0.101 4.238 4.340 -0.000 0.000 0.211 151 L C 3.249 180.217 176.870 0.163 0.000 1.071 151 L CA 1.394 56.270 54.840 0.060 0.000 0.749 151 L CB -0.269 41.796 42.059 0.010 0.000 0.890 151 L HN 0.214 nan 8.230 nan 0.000 0.431 152 R N -0.512 120.056 120.500 0.112 0.000 2.103 152 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 152 R C 2.202 178.533 176.300 0.050 0.000 1.142 152 R CA 1.435 57.596 56.100 0.100 0.000 0.960 152 R CB -0.528 29.802 30.300 0.050 0.000 0.858 152 R HN 0.456 nan 8.270 nan 0.000 0.439 153 A N 0.948 123.787 122.820 0.032 0.000 2.070 153 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 153 A C 2.055 179.638 177.584 -0.001 0.000 1.159 153 A CA 1.112 53.151 52.037 0.003 0.000 0.656 153 A CB -0.363 18.634 19.000 -0.005 0.000 0.800 153 A HN 0.203 nan 8.150 nan 0.000 0.453 154 L N -1.067 120.187 121.223 0.052 0.000 2.341 154 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 154 L C 1.494 178.340 176.870 -0.040 0.000 1.115 154 L CA 0.080 54.960 54.840 0.065 0.000 0.820 154 L CB -0.305 41.852 42.059 0.163 0.000 0.944 154 L HN 0.512 nan 8.230 nan 0.000 0.452 155 Q N 1.391 121.041 119.800 -0.250 0.000 2.332 155 Q HA 0.274 4.614 4.340 -0.000 0.000 0.263 155 Q C -0.555 175.199 176.000 -0.409 0.000 0.979 155 Q CA -0.045 55.280 55.803 -0.798 0.000 0.885 155 Q CB 0.877 29.005 28.738 -1.016 0.000 1.218 155 Q HN 0.239 nan 8.270 nan 0.000 0.405 156 L N 2.356 123.343 121.223 -0.394 0.000 2.416 156 L HA 0.316 4.656 4.340 -0.000 0.000 0.263 156 L C 1.797 178.561 176.870 -0.176 0.000 1.065 156 L CA 0.013 54.725 54.840 -0.212 0.000 0.798 156 L CB 0.382 42.347 42.059 -0.156 0.000 1.267 156 L HN 0.881 nan 8.230 nan 0.000 0.467 157 E N 0.672 120.813 120.200 -0.099 0.000 2.118 157 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 157 E C 1.284 177.857 176.600 -0.045 0.000 0.992 157 E CA 1.616 57.978 56.400 -0.064 0.000 0.804 157 E CB -0.845 28.835 29.700 -0.033 0.000 0.741 157 E HN 0.874 nan 8.360 nan 0.000 0.458 158 D N -2.047 118.337 120.400 -0.028 0.000 2.363 158 D HA 0.233 4.873 4.640 -0.000 0.000 0.226 158 D C 1.505 177.840 176.300 0.059 0.000 1.020 158 D CA 1.180 55.212 54.000 0.053 0.000 0.892 158 D CB 0.018 40.905 40.800 0.144 0.000 0.900 158 D HN 0.843 nan 8.370 nan 0.000 0.531 159 G N -0.148 108.593 108.800 -0.099 0.000 2.258 159 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.233 159 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.233 159 G C 0.579 175.268 174.900 -0.352 0.000 1.006 159 G CA 0.410 45.427 45.100 -0.139 0.000 0.620 159 G HN 0.816 nan 8.290 nan 0.000 0.511 160 S N -0.075 115.277 115.700 -0.580 0.000 2.640 160 S HA 0.807 5.277 4.470 -0.000 0.000 0.262 160 S C -0.102 174.226 174.600 -0.453 0.000 1.232 160 S CA -0.156 57.637 58.200 -0.677 0.000 0.988 160 S CB 1.140 63.621 63.200 -1.198 0.000 1.034 160 S HN 0.603 nan 8.310 nan 0.000 0.569 161 F N -1.553 118.315 119.950 -0.137 0.000 2.620 161 F HA 0.610 5.137 4.527 -0.000 0.000 0.320 161 F C 0.289 176.142 175.800 0.088 0.000 1.069 161 F CA -1.051 56.938 58.000 -0.018 0.000 0.953 161 F CB 1.422 40.431 39.000 0.015 0.000 1.322 161 F HN 0.664 nan 8.300 nan 0.000 0.479 162 C N 0.349 119.755 119.300 0.177 0.000 2.407 162 C HA 0.709 5.169 4.460 -0.000 0.000 0.366 162 C C 1.449 176.210 174.990 -0.383 0.000 1.213 162 C CA -0.039 58.992 59.018 0.023 0.000 2.011 162 C CB 1.399 29.128 27.740 -0.020 0.000 2.306 162 C HN 0.969 nan 8.230 nan 0.000 0.527 163 A N 0.427 122.776 122.820 -0.785 0.000 1.984 163 A HA 0.363 4.683 4.320 -0.000 0.000 0.214 163 A C 0.602 177.756 177.584 -0.717 0.000 1.173 163 A CA 1.222 52.509 52.037 -1.250 0.000 0.673 163 A CB -0.195 17.809 19.000 -1.660 0.000 0.830 163 A HN 1.252 nan 8.150 nan 0.000 0.453 164 V N -4.949 114.742 119.914 -0.371 0.000 2.925 164 V HA 0.502 4.622 4.120 -0.000 0.000 0.311 164 V C -2.354 173.689 176.094 -0.084 0.000 1.104 164 V CA -1.660 60.536 62.300 -0.174 0.000 0.954 164 V CB 1.803 33.589 31.823 -0.062 0.000 1.022 164 V HN 0.063 nan 8.190 nan 0.000 0.427 165 P HA -0.105 nan 4.420 nan 0.000 0.220 165 P C 0.969 178.267 177.300 -0.003 0.000 1.148 165 P CA 1.361 64.446 63.100 -0.024 0.000 0.803 165 P CB 0.416 32.103 31.700 -0.021 0.000 0.782 166 E N -0.124 120.087 120.200 0.020 0.000 2.333 166 E HA 0.188 4.538 4.350 -0.000 0.000 0.198 166 E C 1.170 177.795 176.600 0.042 0.000 1.007 166 E CA 0.980 57.410 56.400 0.050 0.000 0.845 166 E CB -0.695 29.064 29.700 0.099 0.000 0.766 166 E HN 0.384 nan 8.360 nan 0.000 0.507 167 G N -0.698 108.114 108.800 0.020 0.000 2.576 167 G HA2 0.257 4.217 3.960 -0.000 0.000 0.686 167 G HA3 0.257 4.217 3.960 -0.000 0.000 0.686 167 G C -0.374 174.545 174.900 0.031 0.000 1.242 167 G CA -0.494 44.620 45.100 0.023 0.000 0.819 167 G HN 0.658 nan 8.290 nan 0.000 0.655 168 S N -0.594 115.133 115.700 0.044 0.000 2.660 168 S HA 0.712 5.182 4.470 -0.000 0.000 0.264 168 S C -0.450 174.223 174.600 0.120 0.000 1.131 168 S CA 0.133 58.382 58.200 0.082 0.000 0.846 168 S CB 1.352 64.590 63.200 0.063 0.000 1.151 168 S HN 2.094 nan 8.310 nan 0.000 0.486 169 E N 1.337 121.643 120.200 0.177 0.000 2.392 169 E HA 0.326 4.676 4.350 -0.000 0.000 0.256 169 E C -0.790 175.963 176.600 0.256 0.000 1.145 169 E CA -0.422 56.081 56.400 0.173 0.000 0.929 169 E CB 0.119 29.909 29.700 0.150 0.000 0.998 169 E HN 0.774 nan 8.360 nan 0.000 0.442 170 N N 0.444 119.248 118.700 0.173 0.000 2.249 170 N HA 0.389 5.129 4.740 -0.000 0.000 0.296 170 N C -1.434 174.116 175.510 0.066 0.000 1.051 170 N CA -0.524 52.636 53.050 0.184 0.000 0.815 170 N CB 2.153 40.698 38.487 0.096 0.000 1.487 170 N HN 0.621 nan 8.380 nan 0.000 0.475 171 D N -0.206 120.188 120.400 -0.011 0.000 2.792 171 D HA 0.121 4.761 4.640 -0.000 0.000 0.335 171 D C 0.560 176.848 176.300 -0.020 0.000 1.353 171 D CA -0.659 53.336 54.000 -0.008 0.000 0.839 171 D CB 0.438 41.191 40.800 -0.078 0.000 1.396 171 D HN 0.214 nan 8.370 nan 0.000 0.479 172 M N 0.067 119.732 119.600 0.107 0.000 2.260 172 M HA 0.036 4.516 4.480 -0.000 0.000 0.261 172 M C 1.785 178.099 176.300 0.024 0.000 1.066 172 M CA 1.722 57.102 55.300 0.133 0.000 1.082 172 M CB -0.389 32.280 32.600 0.115 0.000 1.388 172 M HN 0.458 nan 8.290 nan 0.000 0.419 173 R N -1.283 119.124 120.500 -0.156 0.000 2.096 173 R HA -0.166 4.174 4.340 -0.000 0.000 0.240 173 R C 2.071 178.389 176.300 0.029 0.000 1.139 173 R CA 2.093 58.097 56.100 -0.161 0.000 0.952 173 R CB -0.710 29.317 30.300 -0.456 0.000 0.854 173 R HN 0.430 nan 8.270 nan 0.000 0.436 174 F N -0.227 119.774 119.950 0.084 0.000 2.407 174 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 174 F C 2.274 178.021 175.800 -0.088 0.000 1.097 174 F CA -0.083 57.925 58.000 0.013 0.000 1.422 174 F CB -0.037 38.987 39.000 0.041 0.000 1.067 174 F HN -0.158 nan 8.300 nan 0.000 0.539 175 V N -0.385 119.633 119.914 0.172 0.000 2.358 175 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 175 V C 2.037 178.144 176.094 0.022 0.000 1.047 175 V CA 1.791 64.165 62.300 0.124 0.000 1.035 175 V CB -0.755 31.206 31.823 0.231 0.000 0.658 175 V HN 0.382 nan 8.190 nan 0.000 0.452 176 Y N 0.273 120.551 120.300 -0.036 0.000 2.200 176 Y HA -0.252 4.298 4.550 -0.000 0.000 0.290 176 Y C 2.543 178.314 175.900 -0.216 0.000 1.137 176 Y CA 1.576 59.625 58.100 -0.084 0.000 1.163 176 Y CB -0.741 37.710 38.460 -0.015 0.000 0.988 176 Y HN 0.238 nan 8.280 nan 0.000 0.518 177 C N 0.389 119.527 119.300 -0.269 0.000 2.413 177 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 177 C C 3.082 177.782 174.990 -0.484 0.000 1.236 177 C CA 1.312 60.062 59.018 -0.445 0.000 1.735 177 C CB -1.769 25.942 27.740 -0.047 0.000 2.031 177 C HN 0.737 nan 8.230 nan 0.000 0.474 178 A N 0.382 122.893 122.820 -0.515 0.000 1.883 178 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 178 A C 2.261 179.578 177.584 -0.445 0.000 1.186 178 A CA 2.404 54.053 52.037 -0.645 0.000 0.624 178 A CB -0.873 17.277 19.000 -1.416 0.000 0.822 178 A HN 0.567 nan 8.150 nan 0.000 0.444 179 S N -0.870 114.633 115.700 -0.329 0.000 2.359 179 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 179 S C 1.968 176.363 174.600 -0.341 0.000 1.035 179 S CA 1.486 59.598 58.200 -0.146 0.000 1.018 179 S CB -0.772 62.459 63.200 0.052 0.000 0.876 179 S HN 0.717 nan 8.310 nan 0.000 0.448 180 C N 1.346 120.324 119.300 -0.537 0.000 2.429 180 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 180 C C 2.455 177.283 174.990 -0.269 0.000 1.262 180 C CA 0.324 59.051 59.018 -0.485 0.000 1.733 180 C CB -1.406 25.776 27.740 -0.930 0.000 2.010 180 C HN 0.548 nan 8.230 nan 0.000 0.483 181 I N 0.012 120.400 120.570 -0.303 0.000 2.142 181 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 181 I C 2.627 178.571 176.117 -0.289 0.000 1.078 181 I CA 1.551 62.725 61.300 -0.210 0.000 1.343 181 I CB -0.603 37.279 38.000 -0.197 0.000 1.046 181 I HN 0.375 nan 8.210 nan 0.000 0.405 182 C N -0.185 118.812 119.300 -0.506 0.000 2.413 182 C HA -0.245 4.215 4.460 -0.000 0.000 0.276 182 C C 2.813 177.252 174.990 -0.917 0.000 1.236 182 C CA 0.849 59.365 59.018 -0.837 0.000 1.735 182 C CB -1.056 25.838 27.740 -1.411 0.000 2.031 182 C HN 0.507 nan 8.230 nan 0.000 0.474 183 Y N 0.926 120.699 120.300 -0.879 0.000 2.145 183 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 183 Y C 2.521 178.356 175.900 -0.108 0.000 1.145 183 Y CA 1.874 59.754 58.100 -0.366 0.000 1.148 183 Y CB -0.361 38.041 38.460 -0.097 0.000 0.981 183 Y HN 0.247 nan 8.280 nan 0.000 0.507 184 M N -0.632 119.033 119.600 0.109 0.000 2.132 184 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 184 M C 1.796 178.224 176.300 0.213 0.000 1.065 184 M CA 1.443 56.854 55.300 0.184 0.000 1.122 184 M CB -0.274 32.400 32.600 0.123 0.000 1.365 184 M HN 0.261 nan 8.290 nan 0.000 0.411 185 L N -0.024 121.231 121.223 0.053 0.000 2.610 185 L HA -0.012 4.328 4.340 -0.000 0.000 0.232 185 L C 0.461 177.339 176.870 0.014 0.000 1.149 185 L CA -0.087 54.830 54.840 0.128 0.000 0.872 185 L CB -0.881 41.174 42.059 -0.007 0.000 0.992 185 L HN 0.457 nan 8.230 nan 0.000 0.447 186 N N 1.888 120.421 118.700 -0.278 0.000 2.714 186 N HA -0.266 4.474 4.740 -0.000 0.000 0.252 186 N C -0.446 174.919 175.510 -0.241 0.000 1.014 186 N CA 0.441 53.197 53.050 -0.491 0.000 0.735 186 N CB -0.907 36.955 38.487 -1.043 0.000 0.924 186 N HN 0.446 nan 8.380 nan 0.000 0.540 187 N N -0.031 118.499 118.700 -0.283 0.000 2.616 187 N HA 0.167 4.907 4.740 -0.000 0.000 0.281 187 N C -0.830 174.541 175.510 -0.231 0.000 1.145 187 N CA -0.526 52.440 53.050 -0.140 0.000 0.919 187 N CB 0.075 38.510 38.487 -0.086 0.000 1.509 187 N HN 0.285 nan 8.380 nan 0.000 0.537 188 W N 2.037 123.330 121.300 -0.012 0.000 3.438 188 W HA 0.151 4.811 4.660 -0.000 0.000 0.322 188 W C 1.842 178.372 176.519 0.020 0.000 1.261 188 W CA -0.160 57.191 57.345 0.010 0.000 1.788 188 W CB 0.096 29.566 29.460 0.016 0.000 1.065 188 W HN 0.633 nan 8.180 nan 0.000 0.715 189 S N -1.428 114.351 115.700 0.132 0.000 2.561 189 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 189 S C 1.957 176.605 174.600 0.081 0.000 0.977 189 S CA 0.799 59.058 58.200 0.098 0.000 0.926 189 S CB -0.366 62.864 63.200 0.051 0.000 0.769 189 S HN 0.263 nan 8.310 nan 0.000 0.533 190 G N 1.427 110.261 108.800 0.057 0.000 2.598 190 G HA2 0.285 4.245 3.960 -0.000 0.000 0.215 190 G HA3 0.285 4.245 3.960 -0.000 0.000 0.215 190 G C 0.404 175.396 174.900 0.155 0.000 1.131 190 G CA 0.637 45.768 45.100 0.051 0.000 0.785 190 G HN 0.745 nan 8.290 nan 0.000 0.539 191 M N -2.388 117.343 119.600 0.217 0.000 2.683 191 M HA 0.496 4.976 4.480 -0.000 0.000 0.274 191 M C -2.058 174.374 176.300 0.219 0.000 1.272 191 M CA -1.037 54.448 55.300 0.308 0.000 0.833 191 M CB 2.139 35.041 32.600 0.503 0.000 1.708 191 M HN -0.192 nan 8.290 nan 0.000 0.463 192 D N 2.035 122.527 120.400 0.154 0.000 2.500 192 D HA 0.238 4.878 4.640 -0.000 0.000 0.219 192 D C 0.615 176.979 176.300 0.106 0.000 1.137 192 D CA -0.184 53.869 54.000 0.088 0.000 0.946 192 D CB 0.904 41.715 40.800 0.019 0.000 1.022 192 D HN 0.872 nan 8.370 nan 0.000 0.518 193 M N 3.167 122.843 119.600 0.127 0.000 2.195 193 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 193 M C 1.797 178.119 176.300 0.037 0.000 1.066 193 M CA 1.546 56.902 55.300 0.093 0.000 1.089 193 M CB 0.173 32.781 32.600 0.014 0.000 1.377 193 M HN 0.210 nan 8.290 nan 0.000 0.411 194 K N 0.146 120.556 120.400 0.017 0.000 2.026 194 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 194 K C 1.807 178.414 176.600 0.012 0.000 1.048 194 K CA 1.618 57.904 56.287 -0.002 0.000 0.929 194 K CB 0.022 32.517 32.500 -0.007 0.000 0.713 194 K HN 0.365 nan 8.250 nan 0.000 0.439 195 K N -0.088 120.324 120.400 0.021 0.000 2.097 195 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 195 K C 2.152 178.792 176.600 0.066 0.000 1.050 195 K CA 1.055 57.356 56.287 0.023 0.000 0.938 195 K CB -0.091 32.401 32.500 -0.014 0.000 0.718 195 K HN 0.174 nan 8.250 nan 0.000 0.442 196 A N 1.804 124.679 122.820 0.092 0.000 1.877 196 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 196 A C 2.131 179.811 177.584 0.160 0.000 1.186 196 A CA 1.297 53.437 52.037 0.171 0.000 0.620 196 A CB -0.631 18.521 19.000 0.254 0.000 0.822 196 A HN 0.166 nan 8.150 nan 0.000 0.443 197 I N -0.436 120.179 120.570 0.076 0.000 2.264 197 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 197 I C 2.839 178.954 176.117 -0.004 0.000 1.111 197 I CA 1.501 62.804 61.300 0.004 0.000 1.382 197 I CB -0.279 37.684 38.000 -0.060 0.000 1.060 197 I HN 0.454 nan 8.210 nan 0.000 0.418 198 S N 0.307 116.022 115.700 0.025 0.000 2.356 198 S HA -0.278 4.192 4.470 -0.000 0.000 0.223 198 S C 2.193 176.821 174.600 0.046 0.000 1.032 198 S CA 1.401 59.611 58.200 0.017 0.000 1.005 198 S CB -0.475 62.742 63.200 0.029 0.000 0.867 198 S HN 0.495 nan 8.310 nan 0.000 0.449 199 Y N 1.854 122.153 120.300 -0.003 0.000 2.128 199 Y HA -0.087 4.463 4.550 -0.000 0.000 0.284 199 Y C 1.970 177.883 175.900 0.022 0.000 1.154 199 Y CA 1.931 60.040 58.100 0.014 0.000 1.149 199 Y CB -0.401 38.078 38.460 0.032 0.000 0.976 199 Y HN 0.312 nan 8.280 nan 0.000 0.505 200 I N -0.315 120.329 120.570 0.123 0.000 2.226 200 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 200 I C 2.597 178.723 176.117 0.015 0.000 1.100 200 I CA 1.433 62.774 61.300 0.067 0.000 1.374 200 I CB -0.461 37.600 38.000 0.102 0.000 1.057 200 I HN 0.186 nan 8.210 nan 0.000 0.413 201 R N 0.734 121.215 120.500 -0.032 0.000 2.070 201 R HA -0.107 4.233 4.340 -0.000 0.000 0.233 201 R C 2.385 178.685 176.300 -0.001 0.000 1.137 201 R CA 1.302 57.404 56.100 0.003 0.000 0.945 201 R CB -0.280 29.967 30.300 -0.088 0.000 0.845 201 R HN 0.330 nan 8.270 nan 0.000 0.430 202 R N 0.443 120.891 120.500 -0.086 0.000 2.303 202 R HA -0.074 4.265 4.340 -0.000 0.000 0.225 202 R C 2.101 178.295 176.300 -0.177 0.000 1.114 202 R CA 1.421 57.448 56.100 -0.122 0.000 1.007 202 R CB -0.125 30.086 30.300 -0.148 0.000 0.861 202 R HN 0.263 nan 8.270 nan 0.000 0.471 203 S N -0.169 115.399 115.700 -0.221 0.000 2.558 203 S HA 0.000 4.470 4.470 -0.000 0.000 0.217 203 S C 0.906 175.408 174.600 -0.163 0.000 0.975 203 S CA -0.295 57.765 58.200 -0.233 0.000 0.912 203 S CB -0.009 63.025 63.200 -0.277 0.000 0.776 203 S HN 0.200 nan 8.310 nan 0.000 0.526 204 M N 3.014 122.549 119.600 -0.107 0.000 2.238 204 M HA 0.256 4.736 4.480 -0.000 0.000 0.350 204 M C 0.314 176.518 176.300 -0.160 0.000 1.321 204 M CA 0.009 55.220 55.300 -0.149 0.000 1.097 204 M CB 0.841 33.394 32.600 -0.079 0.000 1.713 204 M HN 0.301 nan 8.290 nan 0.000 0.455 205 S N 3.313 118.859 115.700 -0.257 0.000 2.681 205 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 205 S C 0.688 175.152 174.600 -0.226 0.000 1.209 205 S CA -0.464 57.582 58.200 -0.257 0.000 0.988 205 S CB 0.508 63.449 63.200 -0.431 0.000 1.006 205 S HN 0.754 nan 8.310 nan 0.000 0.558 206 Y N 0.640 120.901 120.300 -0.065 0.000 2.421 206 Y HA 0.076 4.626 4.550 -0.000 0.000 0.292 206 Y C 1.500 177.387 175.900 -0.020 0.000 1.136 206 Y CA 1.250 59.329 58.100 -0.035 0.000 1.255 206 Y CB -0.741 37.709 38.460 -0.016 0.000 0.991 206 Y HN 0.629 nan 8.280 nan 0.000 0.552 207 D N -1.101 118.879 120.400 -0.699 0.000 2.340 207 D HA -0.053 4.587 4.640 -0.000 0.000 0.220 207 D C 0.158 176.358 176.300 -0.167 0.000 1.039 207 D CA 0.463 54.271 54.000 -0.320 0.000 0.866 207 D CB -0.628 39.974 40.800 -0.329 0.000 0.913 207 D HN 0.426 nan 8.370 nan 0.000 0.523 208 N N -1.050 117.479 118.700 -0.285 0.000 2.965 208 N HA -0.096 4.643 4.740 -0.000 0.000 0.232 208 N C 0.663 175.853 175.510 -0.534 0.000 0.913 208 N CA 1.181 54.058 53.050 -0.288 0.000 0.981 208 N CB -1.589 36.833 38.487 -0.108 0.000 1.077 208 N HN 0.496 nan 8.380 nan 0.000 0.589 209 G N -0.162 108.010 108.800 -1.047 0.000 2.557 209 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 209 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 209 G C -0.324 174.050 174.900 -0.878 0.000 1.237 209 G CA -0.365 43.770 45.100 -1.608 0.000 0.978 209 G HN 0.036 nan 8.290 nan 0.000 0.498 210 L N 0.250 121.044 121.223 -0.715 0.000 2.317 210 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 210 L C 0.740 177.431 176.870 -0.298 0.000 1.024 210 L CA -0.569 54.044 54.840 -0.379 0.000 0.810 210 L CB 1.278 43.202 42.059 -0.225 0.000 1.240 210 L HN 0.712 nan 8.230 nan 0.000 0.427 211 A N 2.011 124.703 122.820 -0.214 0.000 2.261 211 A HA 0.511 4.831 4.320 -0.000 0.000 0.323 211 A C 0.746 178.271 177.584 -0.097 0.000 1.107 211 A CA -0.360 51.594 52.037 -0.139 0.000 0.883 211 A CB 0.634 19.558 19.000 -0.126 0.000 1.251 211 A HN 0.693 nan 8.150 nan 0.000 0.502 212 Q N -0.573 119.181 119.800 -0.077 0.000 2.291 212 Q HA 0.069 4.409 4.340 -0.000 0.000 0.206 212 Q C 0.756 176.778 176.000 0.036 0.000 0.976 212 Q CA 1.419 57.198 55.803 -0.040 0.000 0.875 212 Q CB -0.120 28.573 28.738 -0.074 0.000 0.927 212 Q HN 0.920 nan 8.270 nan 0.000 0.450 213 G N -1.561 107.211 108.800 -0.046 0.000 2.576 213 G HA2 0.520 4.480 3.960 -0.000 0.000 0.290 213 G HA3 0.520 4.480 3.960 -0.000 0.000 0.290 213 G C -1.557 173.245 174.900 -0.163 0.000 1.442 213 G CA -0.395 44.636 45.100 -0.115 0.000 0.792 213 G HN 0.139 nan 8.290 nan 0.000 0.491 214 A N -0.779 121.911 122.820 -0.216 0.000 2.565 214 A HA 0.522 4.842 4.320 -0.000 0.000 0.237 214 A C 1.773 179.321 177.584 -0.061 0.000 1.053 214 A CA 1.795 53.749 52.037 -0.139 0.000 0.755 214 A CB -0.324 18.603 19.000 -0.123 0.000 0.980 214 A HN 2.851 nan 8.150 nan 0.000 0.506 215 G N 0.842 109.619 108.800 -0.040 0.000 2.304 215 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.252 215 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.252 215 G C 0.222 175.128 174.900 0.010 0.000 1.014 215 G CA 0.395 45.495 45.100 0.001 0.000 0.619 215 G HN 0.751 nan 8.290 nan 0.000 0.525 216 L N 1.248 122.461 121.223 -0.016 0.000 2.475 216 L HA 0.460 4.800 4.340 -0.000 0.000 0.253 216 L C 1.077 177.937 176.870 -0.015 0.000 1.198 216 L CA -0.470 54.365 54.840 -0.009 0.000 0.814 216 L CB 0.527 42.573 42.059 -0.022 0.000 1.134 216 L HN 0.491 nan 8.230 nan 0.000 0.478 217 E N 0.460 120.663 120.200 0.005 0.000 2.366 217 E HA 0.090 4.440 4.350 -0.000 0.000 0.266 217 E C -0.190 176.394 176.600 -0.028 0.000 1.015 217 E CA -0.396 56.008 56.400 0.007 0.000 0.906 217 E CB 0.672 30.402 29.700 0.051 0.000 0.979 217 E HN 0.628 nan 8.360 nan 0.000 0.443 218 S N 4.567 120.193 115.700 -0.124 0.000 2.563 218 S HA -0.017 4.453 4.470 -0.000 0.000 0.284 218 S C -0.210 174.381 174.600 -0.014 0.000 1.331 218 S CA -0.338 57.710 58.200 -0.254 0.000 1.047 218 S CB 0.790 63.601 63.200 -0.648 0.000 0.859 218 S HN 0.690 nan 8.310 nan 0.000 0.514 219 H N 0.776 119.750 119.070 -0.161 0.000 2.974 219 H HA 0.356 4.912 4.556 -0.000 0.000 0.366 219 H C 1.115 176.533 175.328 0.150 0.000 1.155 219 H CA 0.020 56.107 56.048 0.065 0.000 1.186 219 H CB 1.484 31.242 29.762 -0.005 0.000 1.799 219 H HN 0.725 nan 8.280 nan 0.000 0.541 220 G N 1.896 110.740 108.800 0.072 0.000 2.469 220 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 220 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 220 G C 1.434 176.523 174.900 0.316 0.000 1.136 220 G CA 0.900 46.171 45.100 0.286 0.000 0.759 220 G HN 0.658 nan 8.290 nan 0.000 0.562 221 G N 0.909 109.962 108.800 0.421 0.000 2.414 221 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 221 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 221 G C 2.235 177.110 174.900 -0.040 0.000 1.188 221 G CA 1.831 46.877 45.100 -0.091 0.000 0.783 221 G HN 0.658 nan 8.290 nan 0.000 0.537 222 S N 0.080 115.815 115.700 0.057 0.000 2.402 222 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 222 S C 2.224 176.819 174.600 -0.008 0.000 1.021 222 S CA 1.875 60.063 58.200 -0.021 0.000 0.974 222 S CB -0.677 62.492 63.200 -0.051 0.000 0.800 222 S HN 0.260 nan 8.310 nan 0.000 0.484 223 T N 2.017 116.579 114.554 0.014 0.000 2.746 223 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 223 T C 1.271 175.986 174.700 0.025 0.000 1.039 223 T CA 1.423 63.507 62.100 -0.027 0.000 1.142 223 T CB -0.553 68.299 68.868 -0.027 0.000 0.866 223 T HN 0.501 nan 8.240 nan 0.000 0.444 224 F N 1.584 121.523 119.950 -0.018 0.000 2.075 224 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 224 F C 2.461 178.202 175.800 -0.098 0.000 1.113 224 F CA 0.782 58.758 58.000 -0.039 0.000 1.218 224 F CB -0.948 38.070 39.000 0.031 0.000 0.984 224 F HN 0.151 nan 8.300 nan 0.000 0.472 225 C N 1.148 120.318 119.300 -0.217 0.000 2.398 225 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 225 C C 3.101 178.001 174.990 -0.150 0.000 1.222 225 C CA 1.361 60.204 59.018 -0.292 0.000 1.746 225 C CB -2.003 25.716 27.740 -0.036 0.000 2.039 225 C HN 0.766 nan 8.230 nan 0.000 0.470 226 G N 0.586 109.347 108.800 -0.064 0.000 2.453 226 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 226 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 226 G C 1.366 176.270 174.900 0.007 0.000 1.201 226 G CA 0.863 45.976 45.100 0.021 0.000 0.784 226 G HN 0.368 nan 8.290 nan 0.000 0.545 227 I N 2.077 122.620 120.570 -0.045 0.000 2.163 227 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 227 I C 3.296 179.358 176.117 -0.092 0.000 1.085 227 I CA 1.298 62.584 61.300 -0.024 0.000 1.347 227 I CB -1.435 36.540 38.000 -0.040 0.000 1.044 227 I HN 0.264 nan 8.210 nan 0.000 0.408 228 A N 0.284 122.921 122.820 -0.306 0.000 1.940 228 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 228 A C 2.610 180.194 177.584 0.000 0.000 1.176 228 A CA 2.126 53.996 52.037 -0.278 0.000 0.631 228 A CB -0.743 17.749 19.000 -0.846 0.000 0.814 228 A HN 0.425 nan 8.150 nan 0.000 0.446 229 S N -0.174 115.563 115.700 0.061 0.000 2.356 229 S HA -0.094 4.376 4.470 -0.000 0.000 0.223 229 S C 1.846 176.505 174.600 0.099 0.000 1.032 229 S CA 1.441 59.730 58.200 0.147 0.000 1.005 229 S CB -0.464 62.835 63.200 0.165 0.000 0.867 229 S HN 0.523 nan 8.310 nan 0.000 0.449 230 L N 0.680 121.935 121.223 0.054 0.000 2.042 230 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 230 L C 2.602 179.483 176.870 0.018 0.000 1.076 230 L CA 0.974 55.823 54.840 0.016 0.000 0.749 230 L CB -0.772 41.301 42.059 0.024 0.000 0.893 230 L HN 0.426 nan 8.230 nan 0.000 0.432 231 C N -0.598 118.726 119.300 0.040 0.000 2.425 231 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 231 C C 2.651 177.693 174.990 0.086 0.000 1.280 231 C CA 0.182 59.232 59.018 0.055 0.000 1.744 231 C CB -0.728 27.043 27.740 0.052 0.000 1.989 231 C HN 0.399 nan 8.230 nan 0.000 0.491 232 L N 0.146 121.431 121.223 0.104 0.000 2.141 232 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 232 L C 2.285 179.356 176.870 0.335 0.000 1.094 232 L CA 1.780 56.730 54.840 0.184 0.000 0.763 232 L CB -0.682 41.487 42.059 0.183 0.000 0.908 232 L HN 0.366 nan 8.230 nan 0.000 0.437 233 M N -1.617 117.998 119.600 0.025 0.000 2.558 233 M HA 0.197 4.677 4.480 -0.000 0.000 0.255 233 M C 1.192 177.357 176.300 -0.224 0.000 1.113 233 M CA 0.702 55.747 55.300 -0.424 0.000 1.097 233 M CB -0.116 32.183 32.600 -0.502 0.000 1.426 233 M HN 0.314 nan 8.290 nan 0.000 0.488 234 G N 1.865 110.639 108.800 -0.044 0.000 2.272 234 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.280 234 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.280 234 G C 0.308 175.175 174.900 -0.055 0.000 1.067 234 G CA 0.084 45.177 45.100 -0.013 0.000 0.902 234 G HN 0.445 nan 8.290 nan 0.000 0.500 235 K N -0.523 119.838 120.400 -0.066 0.000 2.564 235 K HA 0.296 4.616 4.320 -0.000 0.000 0.201 235 K C 1.972 178.539 176.600 -0.056 0.000 1.086 235 K CA -0.461 55.779 56.287 -0.078 0.000 1.062 235 K CB 0.285 32.710 32.500 -0.126 0.000 0.849 235 K HN 0.410 nan 8.250 nan 0.000 0.529 236 L N 1.571 122.790 121.223 -0.007 0.000 1.956 236 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 236 L C 1.840 178.742 176.870 0.054 0.000 1.073 236 L CA 1.898 56.765 54.840 0.045 0.000 0.762 236 L CB 0.023 42.129 42.059 0.079 0.000 0.889 236 L HN 0.264 nan 8.230 nan 0.000 0.433 237 E N -0.422 119.805 120.200 0.045 0.000 2.160 237 E HA -0.306 4.044 4.350 -0.000 0.000 0.195 237 E C 1.865 178.474 176.600 0.016 0.000 0.991 237 E CA 1.411 57.839 56.400 0.047 0.000 0.810 237 E CB -0.165 29.556 29.700 0.036 0.000 0.742 237 E HN 0.630 nan 8.360 nan 0.000 0.466 238 E N 0.846 121.033 120.200 -0.022 0.000 2.216 238 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 238 E C 1.952 178.496 176.600 -0.094 0.000 0.988 238 E CA 0.536 56.907 56.400 -0.048 0.000 0.834 238 E CB 0.393 30.057 29.700 -0.060 0.000 0.772 238 E HN 0.022 nan 8.360 nan 0.000 0.479 239 V N 0.280 120.097 119.914 -0.162 0.000 2.599 239 V HA 0.052 4.172 4.120 -0.000 0.000 0.245 239 V C 0.616 176.447 176.094 -0.438 0.000 1.046 239 V CA 0.859 62.950 62.300 -0.349 0.000 1.065 239 V CB -0.111 31.394 31.823 -0.530 0.000 0.703 239 V HN 0.099 nan 8.190 nan 0.000 0.464 240 F N 0.439 120.381 119.950 -0.013 0.000 2.495 240 F HA 0.496 5.023 4.527 -0.000 0.000 0.327 240 F C 0.868 176.665 175.800 -0.005 0.000 1.103 240 F CA -0.752 57.240 58.000 -0.012 0.000 0.949 240 F CB 1.644 40.636 39.000 -0.013 0.000 1.142 240 F HN -0.029 nan 8.300 nan 0.000 0.457 241 S N 0.942 116.768 115.700 0.210 0.000 2.608 241 S HA 0.055 4.525 4.470 -0.000 0.000 0.261 241 S C 1.106 175.767 174.600 0.102 0.000 1.314 241 S CA -0.386 57.882 58.200 0.114 0.000 0.992 241 S CB 1.155 64.405 63.200 0.084 0.000 0.935 241 S HN 0.880 nan 8.310 nan 0.000 0.564 242 E N 0.740 120.980 120.200 0.067 0.000 2.110 242 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 242 E C 1.936 178.561 176.600 0.041 0.000 0.988 242 E CA 1.301 57.733 56.400 0.053 0.000 0.804 242 E CB -0.192 29.532 29.700 0.041 0.000 0.745 242 E HN 0.766 nan 8.360 nan 0.000 0.458 243 K N 0.513 120.935 120.400 0.038 0.000 2.057 243 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 243 K C 1.990 178.599 176.600 0.014 0.000 1.049 243 K CA 1.671 57.973 56.287 0.025 0.000 0.931 243 K CB 0.074 32.589 32.500 0.025 0.000 0.714 243 K HN 0.143 nan 8.250 nan 0.000 0.440 244 E N 0.462 120.678 120.200 0.026 0.000 2.051 244 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 244 E C 2.053 178.594 176.600 -0.099 0.000 0.991 244 E CA 1.308 57.695 56.400 -0.022 0.000 0.799 244 E CB -0.089 29.654 29.700 0.072 0.000 0.748 244 E HN 0.279 nan 8.360 nan 0.000 0.449 245 L N 1.017 122.219 121.223 -0.035 0.000 2.079 245 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 245 L C 1.964 178.820 176.870 -0.024 0.000 1.081 245 L CA 1.215 56.029 54.840 -0.044 0.000 0.752 245 L CB -0.478 41.604 42.059 0.038 0.000 0.896 245 L HN 0.195 nan 8.230 nan 0.000 0.433 246 N N -0.458 118.241 118.700 -0.001 0.000 2.142 246 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 246 N C 1.912 177.427 175.510 0.009 0.000 1.023 246 N CA 0.823 53.880 53.050 0.013 0.000 0.852 246 N CB -0.021 38.475 38.487 0.015 0.000 0.998 246 N HN 0.276 nan 8.380 nan 0.000 0.424 247 R N 0.726 121.218 120.500 -0.012 0.000 2.075 247 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 247 R C 2.153 178.456 176.300 0.005 0.000 1.126 247 R CA 0.931 57.028 56.100 -0.005 0.000 0.963 247 R CB -0.340 29.942 30.300 -0.030 0.000 0.858 247 R HN 0.268 nan 8.270 nan 0.000 0.435 248 I N 1.188 121.715 120.570 -0.071 0.000 2.179 248 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 248 I C 2.162 178.325 176.117 0.076 0.000 1.088 248 I CA 1.505 62.763 61.300 -0.070 0.000 1.357 248 I CB -0.273 37.585 38.000 -0.236 0.000 1.051 248 I HN 0.139 nan 8.210 nan 0.000 0.409 249 K N 0.369 120.802 120.400 0.055 0.000 2.044 249 K HA -0.266 4.054 4.320 -0.000 0.000 0.210 249 K C 2.248 178.919 176.600 0.119 0.000 1.049 249 K CA 1.637 57.982 56.287 0.098 0.000 0.927 249 K CB -0.284 32.265 32.500 0.082 0.000 0.713 249 K HN 0.073 nan 8.250 nan 0.000 0.443 250 R N 0.599 121.157 120.500 0.097 0.000 2.083 250 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 250 R C 1.864 178.229 176.300 0.108 0.000 1.137 250 R CA 1.809 57.958 56.100 0.082 0.000 0.951 250 R CB -0.846 29.492 30.300 0.064 0.000 0.851 250 R HN 0.424 nan 8.270 nan 0.000 0.434 251 W N -0.270 121.017 121.300 -0.021 0.000 2.363 251 W HA -0.213 4.447 4.660 -0.000 0.000 0.296 251 W C 1.956 178.484 176.519 0.014 0.000 1.212 251 W CA 1.630 58.960 57.345 -0.024 0.000 1.260 251 W CB -0.425 28.996 29.460 -0.065 0.000 1.131 251 W HN 0.168 nan 8.180 nan 0.000 0.530 252 C N -0.432 119.051 119.300 0.306 0.000 2.462 252 C HA -0.167 4.293 4.460 -0.000 0.000 0.278 252 C C 2.587 177.624 174.990 0.079 0.000 1.253 252 C CA 0.963 60.108 59.018 0.211 0.000 1.713 252 C CB -1.546 26.358 27.740 0.274 0.000 2.049 252 C HN 0.420 nan 8.230 nan 0.000 0.477 253 I N 0.742 121.373 120.570 0.102 0.000 2.530 253 I HA -0.168 4.002 4.170 -0.000 0.000 0.257 253 I C 2.098 178.208 176.117 -0.012 0.000 1.179 253 I CA 1.563 62.921 61.300 0.097 0.000 1.440 253 I CB -0.183 37.871 38.000 0.090 0.000 1.087 253 I HN 0.232 nan 8.210 nan 0.000 0.440 254 M N -0.444 119.095 119.600 -0.102 0.000 2.619 254 M HA 0.002 4.482 4.480 -0.000 0.000 0.251 254 M C 1.644 177.796 176.300 -0.246 0.000 1.106 254 M CA 0.791 55.982 55.300 -0.181 0.000 1.086 254 M CB -0.877 31.593 32.600 -0.217 0.000 1.465 254 M HN 0.162 nan 8.290 nan 0.000 0.506 255 R N 0.247 120.613 120.500 -0.224 0.000 2.236 255 R HA 0.056 4.396 4.340 -0.000 0.000 0.208 255 R C 0.850 176.894 176.300 -0.428 0.000 1.036 255 R CA 0.159 56.131 56.100 -0.213 0.000 1.001 255 R CB -0.536 29.767 30.300 0.004 0.000 0.896 255 R HN 0.532 nan 8.270 nan 0.000 0.464 256 Q N 1.124 120.659 119.800 -0.442 0.000 2.293 256 Q HA -0.003 4.337 4.340 -0.000 0.000 0.263 256 Q C 0.197 175.846 176.000 -0.585 0.000 1.002 256 Q CA 0.048 55.351 55.803 -0.833 0.000 0.910 256 Q CB 0.896 29.149 28.738 -0.808 0.000 1.185 256 Q HN -0.041 nan 8.270 nan 0.000 0.401 257 Q N 2.698 122.139 119.800 -0.598 0.000 2.442 257 Q HA 0.110 4.450 4.340 -0.000 0.000 0.228 257 Q C 0.275 176.086 176.000 -0.315 0.000 0.902 257 Q CA 1.536 57.087 55.803 -0.420 0.000 0.933 257 Q CB 0.583 29.063 28.738 -0.429 0.000 1.071 257 Q HN 0.907 nan 8.270 nan 0.000 0.562 258 N N -1.517 116.972 118.700 -0.352 0.000 2.529 258 N HA 0.045 4.785 4.740 -0.000 0.000 0.328 258 N C 0.826 176.194 175.510 -0.238 0.000 0.606 258 N CA 0.382 53.307 53.050 -0.209 0.000 1.182 258 N CB -0.158 38.266 38.487 -0.105 0.000 1.946 258 N HN 0.085 nan 8.380 nan 0.000 1.584 259 G N -0.940 107.651 108.800 -0.350 0.000 2.641 259 G HA2 0.581 4.541 3.960 -0.000 0.000 0.239 259 G HA3 0.581 4.541 3.960 -0.000 0.000 0.239 259 G C -1.491 173.172 174.900 -0.395 0.000 1.402 259 G CA -0.340 44.599 45.100 -0.268 0.000 1.046 259 G HN 0.131 nan 8.290 nan 0.000 0.565 260 Y N -0.586 119.640 120.300 -0.124 0.000 2.446 260 Y HA 0.444 4.994 4.550 -0.000 0.000 0.345 260 Y C 0.561 176.460 175.900 -0.002 0.000 0.984 260 Y CA -0.850 57.206 58.100 -0.073 0.000 1.058 260 Y CB 1.813 40.316 38.460 0.071 0.000 1.220 260 Y HN 0.716 nan 8.280 nan 0.000 0.455 261 H N -1.376 117.668 119.070 -0.044 0.000 2.595 261 H HA 0.611 5.167 4.556 -0.000 0.000 0.346 261 H C 0.452 175.450 175.328 -0.550 0.000 1.181 261 H CA -0.892 55.018 56.048 -0.230 0.000 1.242 261 H CB 2.024 31.662 29.762 -0.206 0.000 1.652 261 H HN 0.827 nan 8.280 nan 0.000 0.548 262 G N 0.367 108.600 108.800 -0.945 0.000 2.683 262 G HA2 0.101 4.061 3.960 -0.000 0.000 0.213 262 G HA3 0.101 4.061 3.960 -0.000 0.000 0.213 262 G C 0.410 174.878 174.900 -0.721 0.000 1.142 262 G CA -0.205 44.141 45.100 -1.257 0.000 0.793 262 G HN 0.553 nan 8.290 nan 0.000 0.534 263 R N -0.728 119.346 120.500 -0.710 0.000 2.680 263 R HA 0.328 4.668 4.340 -0.000 0.000 0.269 263 R C -3.108 172.659 176.300 -0.888 0.000 1.026 263 R CA -1.859 53.930 56.100 -0.518 0.000 0.889 263 R CB 1.924 32.079 30.300 -0.242 0.000 1.241 263 R HN -0.141 nan 8.270 nan 0.000 0.463 264 P HA -0.053 nan 4.420 nan 0.000 0.266 264 P C -0.551 176.580 177.300 -0.281 0.000 1.193 264 P CA 0.339 63.209 63.100 -0.382 0.000 0.770 264 P CB 0.346 31.960 31.700 -0.144 0.000 0.836 265 N N -0.820 117.807 118.700 -0.121 0.000 2.708 265 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 265 N C -0.356 175.113 175.510 -0.068 0.000 1.123 265 N CA 1.326 54.346 53.050 -0.050 0.000 0.739 265 N CB -0.780 37.685 38.487 -0.036 0.000 1.113 265 N HN 0.487 nan 8.380 nan 0.000 0.561 266 K N 0.498 120.814 120.400 -0.139 0.000 2.259 266 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 266 K C -2.212 174.426 176.600 0.064 0.000 0.942 266 K CA -1.499 54.743 56.287 -0.074 0.000 0.816 266 K CB 2.001 34.395 32.500 -0.177 0.000 1.155 266 K HN -0.092 nan 8.250 nan 0.000 0.428 267 P HA -0.004 nan 4.420 nan 0.000 0.269 267 P C 0.201 177.599 177.300 0.164 0.000 1.215 267 P CA -0.401 62.739 63.100 0.066 0.000 0.780 267 P CB 0.455 32.139 31.700 -0.026 0.000 0.898 268 V N -1.066 118.879 119.914 0.051 0.000 3.096 268 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 268 V C 0.109 176.402 176.094 0.332 0.000 1.088 268 V CA 0.032 62.347 62.300 0.024 0.000 1.129 268 V CB 0.422 31.994 31.823 -0.418 0.000 1.014 268 V HN 0.615 nan 8.190 nan 0.000 0.486 269 D N 1.362 122.006 120.400 0.407 0.000 2.890 269 D HA 0.298 4.938 4.640 -0.000 0.000 0.233 269 D C 0.803 177.439 176.300 0.560 0.000 1.306 269 D CA -0.050 54.292 54.000 0.570 0.000 0.929 269 D CB 2.255 43.445 40.800 0.650 0.000 1.512 269 D HN 0.656 nan 8.370 nan 0.000 0.568 270 T N 1.896 116.807 114.554 0.595 0.000 2.649 270 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 270 T C 2.028 176.880 174.700 0.252 0.000 1.036 270 T CA 2.354 64.739 62.100 0.474 0.000 1.157 270 T CB -0.613 68.462 68.868 0.345 0.000 0.861 270 T HN 0.786 nan 8.240 nan 0.000 0.445 271 C N 0.275 119.699 119.300 0.207 0.000 2.409 271 C HA -0.053 4.407 4.460 -0.000 0.000 0.284 271 C C 2.191 176.931 174.990 -0.417 0.000 1.354 271 C CA -0.187 58.703 59.018 -0.212 0.000 1.787 271 C CB -2.136 25.376 27.740 -0.381 0.000 1.900 271 C HN 0.512 nan 8.230 nan 0.000 0.520 272 Y N 1.802 122.196 120.300 0.157 0.000 2.571 272 Y HA 0.020 4.570 4.550 -0.000 0.000 0.294 272 Y C 2.796 178.658 175.900 -0.064 0.000 1.141 272 Y CA 1.311 59.508 58.100 0.162 0.000 1.308 272 Y CB -0.520 38.086 38.460 0.244 0.000 1.002 272 Y HN 0.332 nan 8.280 nan 0.000 0.551 273 S N -0.463 115.252 115.700 0.024 0.000 2.474 273 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 273 S C 1.588 175.991 174.600 -0.329 0.000 0.997 273 S CA 1.007 59.131 58.200 -0.126 0.000 0.949 273 S CB -0.326 62.900 63.200 0.044 0.000 0.766 273 S HN 0.550 nan 8.310 nan 0.000 0.517 274 F N 0.088 119.745 119.950 -0.488 0.000 2.298 274 F HA 0.215 4.742 4.527 -0.000 0.000 0.282 274 F C 1.565 177.007 175.800 -0.597 0.000 1.045 274 F CA -0.002 57.627 58.000 -0.617 0.000 1.280 274 F CB -0.745 37.807 39.000 -0.747 0.000 1.114 274 F HN 0.154 nan 8.300 nan 0.000 0.546 275 W N 0.597 121.467 121.300 -0.717 0.000 2.301 275 W HA -0.266 4.393 4.660 -0.000 0.000 0.325 275 W C 2.343 178.623 176.519 -0.399 0.000 1.250 275 W CA 1.681 58.604 57.345 -0.704 0.000 1.261 275 W CB -0.986 28.231 29.460 -0.404 0.000 1.157 275 W HN -0.140 nan 8.180 nan 0.000 0.473 276 V N 0.254 120.165 119.914 -0.005 0.000 2.407 276 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 276 V C 2.389 178.314 176.094 -0.283 0.000 1.041 276 V CA 1.909 64.183 62.300 -0.042 0.000 1.040 276 V CB -1.586 30.242 31.823 0.009 0.000 0.671 276 V HN 0.392 nan 8.190 nan 0.000 0.455 277 G N 0.163 108.610 108.800 -0.587 0.000 2.476 277 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 277 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 277 G C 1.747 176.222 174.900 -0.709 0.000 1.164 277 G CA 1.219 45.891 45.100 -0.713 0.000 0.768 277 G HN 0.603 nan 8.290 nan 0.000 0.560 278 A N -0.030 122.357 122.820 -0.721 0.000 1.969 278 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 278 A C 2.525 179.995 177.584 -0.190 0.000 1.169 278 A CA 2.365 54.071 52.037 -0.553 0.000 0.635 278 A CB -0.752 17.675 19.000 -0.955 0.000 0.810 278 A HN 0.311 nan 8.150 nan 0.000 0.445 279 T N 0.407 114.917 114.554 -0.073 0.000 2.777 279 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 279 T C 1.795 176.510 174.700 0.027 0.000 1.040 279 T CA 1.359 63.481 62.100 0.038 0.000 1.141 279 T CB -0.346 68.589 68.868 0.113 0.000 0.868 279 T HN 0.363 nan 8.240 nan 0.000 0.444 280 L N 0.625 121.865 121.223 0.029 0.000 2.083 280 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 280 L C 2.608 179.554 176.870 0.127 0.000 1.083 280 L CA 1.127 56.047 54.840 0.133 0.000 0.752 280 L CB -0.367 41.857 42.059 0.276 0.000 0.899 280 L HN 0.167 nan 8.230 nan 0.000 0.433 281 K N 0.806 121.209 120.400 0.004 0.000 2.025 281 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 281 K C 1.952 178.558 176.600 0.010 0.000 1.049 281 K CA 1.465 57.752 56.287 0.001 0.000 0.933 281 K CB -0.331 32.061 32.500 -0.180 0.000 0.714 281 K HN 0.154 nan 8.250 nan 0.000 0.438 282 L N 0.383 121.601 121.223 -0.007 0.000 2.131 282 L HA -0.101 4.238 4.340 -0.000 0.000 0.210 282 L C 1.797 178.689 176.870 0.037 0.000 1.092 282 L CA 0.869 55.715 54.840 0.010 0.000 0.759 282 L CB -0.283 41.780 42.059 0.006 0.000 0.903 282 L HN 0.175 nan 8.230 nan 0.000 0.435 283 L N -0.462 120.794 121.223 0.055 0.000 2.612 283 L HA 0.011 4.350 4.340 -0.000 0.000 0.230 283 L C 0.610 177.534 176.870 0.089 0.000 1.140 283 L CA 0.081 54.965 54.840 0.073 0.000 0.896 283 L CB -0.299 41.810 42.059 0.083 0.000 1.065 283 L HN 0.209 nan 8.230 nan 0.000 0.447 284 K N 0.578 121.025 120.400 0.079 0.000 3.069 284 K HA -0.204 4.116 4.320 -0.000 0.000 0.267 284 K C 0.640 177.288 176.600 0.080 0.000 1.082 284 K CA 1.005 57.335 56.287 0.070 0.000 0.782 284 K CB -1.454 31.083 32.500 0.062 0.000 1.230 284 K HN 0.621 nan 8.250 nan 0.000 0.488 285 I N -4.747 115.899 120.570 0.126 0.000 4.390 285 I HA 0.167 4.337 4.170 -0.000 0.000 0.334 285 I C 1.236 177.443 176.117 0.150 0.000 1.379 285 I CA -0.661 60.736 61.300 0.162 0.000 1.197 285 I CB 0.094 38.288 38.000 0.323 0.000 1.396 285 I HN -0.010 nan 8.210 nan 0.000 0.511 286 F N 3.501 123.466 119.950 0.026 0.000 2.269 286 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 286 F C 2.548 178.439 175.800 0.153 0.000 1.082 286 F CA 2.393 60.445 58.000 0.086 0.000 1.360 286 F CB -0.098 38.925 39.000 0.039 0.000 1.041 286 F HN 0.393 nan 8.300 nan 0.000 0.512 287 Q N -1.268 118.472 119.800 -0.099 0.000 2.297 287 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 287 Q C 1.132 176.878 176.000 -0.423 0.000 0.981 287 Q CA 1.922 57.531 55.803 -0.324 0.000 0.876 287 Q CB -1.063 27.379 28.738 -0.494 0.000 0.921 287 Q HN 0.621 nan 8.270 nan 0.000 0.446 288 Y N 2.093 122.349 120.300 -0.073 0.000 2.457 288 Y HA 0.128 4.678 4.550 -0.000 0.000 0.263 288 Y C 1.194 177.045 175.900 -0.082 0.000 1.164 288 Y CA -0.123 57.927 58.100 -0.082 0.000 1.274 288 Y CB 0.491 38.932 38.460 -0.033 0.000 1.097 288 Y HN 0.177 nan 8.280 nan 0.000 0.523 289 T N -1.786 112.771 114.554 0.005 0.000 2.788 289 T HA 0.064 4.414 4.350 -0.000 0.000 0.280 289 T C 0.078 174.799 174.700 0.034 0.000 0.984 289 T CA -0.943 61.167 62.100 0.017 0.000 0.972 289 T CB 1.136 69.987 68.868 -0.029 0.000 1.039 289 T HN 0.099 nan 8.240 nan 0.000 0.530 290 N N 0.505 119.237 118.700 0.053 0.000 2.420 290 N HA 0.162 4.902 4.740 -0.000 0.000 0.249 290 N C 0.319 175.954 175.510 0.208 0.000 1.033 290 N CA -0.473 52.619 53.050 0.070 0.000 0.944 290 N CB 0.033 38.523 38.487 0.005 0.000 1.113 290 N HN 0.708 nan 8.380 nan 0.000 0.502 291 F N 1.601 121.493 119.950 -0.097 0.000 2.113 291 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 291 F C 2.012 177.815 175.800 0.004 0.000 1.103 291 F CA 0.385 58.353 58.000 -0.054 0.000 1.248 291 F CB 0.351 39.315 39.000 -0.061 0.000 0.999 291 F HN 0.431 nan 8.300 nan 0.000 0.475 292 E N 0.969 121.291 120.200 0.204 0.000 2.058 292 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 292 E C 1.906 178.564 176.600 0.097 0.000 0.997 292 E CA 1.289 57.762 56.400 0.123 0.000 0.801 292 E CB -0.528 29.222 29.700 0.083 0.000 0.746 292 E HN 0.418 nan 8.360 nan 0.000 0.450 293 K N 0.578 121.024 120.400 0.076 0.000 2.097 293 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 293 K C 2.027 178.686 176.600 0.097 0.000 1.049 293 K CA 1.138 57.462 56.287 0.062 0.000 0.933 293 K CB -0.128 32.378 32.500 0.009 0.000 0.717 293 K HN -0.012 nan 8.250 nan 0.000 0.442 294 N N 1.555 120.317 118.700 0.103 0.000 2.080 294 N HA -0.179 4.561 4.740 -0.000 0.000 0.189 294 N C 1.735 177.348 175.510 0.172 0.000 1.036 294 N CA 1.400 54.550 53.050 0.166 0.000 0.846 294 N CB -0.040 38.583 38.487 0.227 0.000 1.015 294 N HN 0.038 nan 8.380 nan 0.000 0.423 295 R N -0.008 120.557 120.500 0.108 0.000 2.091 295 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 295 R C 1.466 177.825 176.300 0.098 0.000 1.136 295 R CA 1.636 57.780 56.100 0.073 0.000 0.959 295 R CB -0.222 30.110 30.300 0.054 0.000 0.856 295 R HN 0.292 nan 8.270 nan 0.000 0.437 296 N N -0.238 118.527 118.700 0.109 0.000 2.120 296 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 296 N C 1.410 176.982 175.510 0.105 0.000 1.024 296 N CA 1.338 54.449 53.050 0.101 0.000 0.852 296 N CB -0.573 37.969 38.487 0.092 0.000 1.003 296 N HN 0.322 nan 8.380 nan 0.000 0.424 297 Y N 1.614 121.958 120.300 0.073 0.000 2.133 297 Y HA -0.052 4.498 4.550 -0.000 0.000 0.287 297 Y C 2.157 178.134 175.900 0.129 0.000 1.134 297 Y CA 1.305 59.459 58.100 0.091 0.000 1.133 297 Y CB -0.464 38.045 38.460 0.080 0.000 0.987 297 Y HN -0.038 nan 8.280 nan 0.000 0.502 298 I N -0.013 120.599 120.570 0.069 0.000 2.151 298 I HA -0.386 3.784 4.170 -0.000 0.000 0.243 298 I C 2.373 178.549 176.117 0.098 0.000 1.080 298 I CA 1.694 63.002 61.300 0.013 0.000 1.339 298 I CB -0.620 37.365 38.000 -0.024 0.000 1.039 298 I HN 0.290 nan 8.210 nan 0.000 0.409 299 L N 0.523 121.828 121.223 0.137 0.000 2.141 299 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 299 L C 2.752 179.674 176.870 0.087 0.000 1.094 299 L CA 1.547 56.522 54.840 0.226 0.000 0.763 299 L CB -0.654 41.511 42.059 0.176 0.000 0.908 299 L HN 0.398 nan 8.230 nan 0.000 0.437 300 S N -1.304 114.372 115.700 -0.040 0.000 2.500 300 S HA -0.141 4.329 4.470 -0.000 0.000 0.239 300 S C 1.677 176.218 174.600 -0.098 0.000 0.989 300 S CA 1.274 59.422 58.200 -0.086 0.000 0.951 300 S CB -0.696 62.423 63.200 -0.134 0.000 0.759 300 S HN 0.578 nan 8.310 nan 0.000 0.523 301 T N -1.821 112.684 114.554 -0.082 0.000 3.105 301 T HA 0.253 4.603 4.350 -0.000 0.000 0.253 301 T C 0.293 175.009 174.700 0.027 0.000 1.047 301 T CA -0.541 61.555 62.100 -0.007 0.000 0.944 301 T CB -0.214 68.660 68.868 0.011 0.000 1.016 301 T HN 0.496 nan 8.240 nan 0.000 0.544 302 Q N 1.758 121.521 119.800 -0.061 0.000 2.304 302 Q HA 0.110 4.450 4.340 -0.000 0.000 0.260 302 Q C -0.862 174.962 176.000 -0.294 0.000 0.965 302 Q CA -0.394 55.141 55.803 -0.446 0.000 0.898 302 Q CB 0.598 29.112 28.738 -0.372 0.000 1.196 302 Q HN 0.263 nan 8.270 nan 0.000 0.402 303 D N 4.134 124.330 120.400 -0.340 0.000 2.411 303 D HA 0.075 4.714 4.640 -0.000 0.000 0.225 303 D C 0.351 176.504 176.300 -0.246 0.000 1.156 303 D CA -0.026 53.849 54.000 -0.208 0.000 0.874 303 D CB 0.566 41.275 40.800 -0.152 0.000 1.034 303 D HN 0.612 nan 8.370 nan 0.000 0.502 304 R N 2.578 122.961 120.500 -0.195 0.000 2.285 304 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 304 R C 1.536 177.731 176.300 -0.175 0.000 1.068 304 R CA 0.175 56.154 56.100 -0.203 0.000 1.004 304 R CB 0.418 30.633 30.300 -0.140 0.000 0.873 304 R HN 0.447 nan 8.270 nan 0.000 0.467 305 L N 0.256 121.398 121.223 -0.135 0.000 2.187 305 L HA 0.002 4.342 4.340 -0.000 0.000 0.197 305 L C 2.095 178.904 176.870 -0.102 0.000 1.090 305 L CA 1.398 56.176 54.840 -0.103 0.000 0.781 305 L CB -0.493 41.527 42.059 -0.066 0.000 0.956 305 L HN 0.086 nan 8.230 nan 0.000 0.463 306 V N -1.136 118.733 119.914 -0.076 0.000 3.354 306 V HA 0.440 4.560 4.120 -0.000 0.000 0.258 306 V C 0.874 176.980 176.094 0.020 0.000 1.159 306 V CA 0.724 63.015 62.300 -0.015 0.000 1.125 306 V CB -0.210 31.640 31.823 0.044 0.000 0.774 306 V HN 0.648 nan 8.190 nan 0.000 0.464 307 G N -0.916 107.792 108.800 -0.152 0.000 2.655 307 G HA2 0.411 4.371 3.960 -0.000 0.000 0.680 307 G HA3 0.411 4.371 3.960 -0.000 0.000 0.680 307 G C 0.534 175.107 174.900 -0.546 0.000 1.302 307 G CA -0.296 44.611 45.100 -0.322 0.000 0.872 307 G HN 2.413 nan 8.290 nan 0.000 0.540 308 G N -1.967 106.460 108.800 -0.621 0.000 2.828 308 G HA2 0.366 4.326 3.960 -0.000 0.000 0.463 308 G HA3 0.366 4.326 3.960 -0.000 0.000 0.463 308 G C -0.412 174.032 174.900 -0.760 0.000 1.394 308 G CA 0.345 44.746 45.100 -1.164 0.000 0.862 308 G HN 1.835 nan 8.290 nan 0.000 0.540 309 F N -0.098 119.614 119.950 -0.398 0.000 2.593 309 F HA 0.834 5.361 4.527 -0.000 0.000 0.320 309 F C 0.805 176.559 175.800 -0.077 0.000 1.060 309 F CA 0.008 57.909 58.000 -0.166 0.000 0.940 309 F CB 2.088 41.015 39.000 -0.122 0.000 1.268 309 F HN 1.016 nan 8.300 nan 0.000 0.475 310 A N 1.047 123.941 122.820 0.123 0.000 2.344 310 A HA 0.545 4.865 4.320 -0.000 0.000 0.307 310 A C 0.802 178.296 177.584 -0.149 0.000 1.151 310 A CA -0.598 51.423 52.037 -0.026 0.000 0.842 310 A CB 1.340 20.335 19.000 -0.008 0.000 1.350 310 A HN 0.896 nan 8.150 nan 0.000 0.459 311 K N -0.867 119.183 120.400 -0.584 0.000 2.155 311 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 311 K C -0.461 176.113 176.600 -0.043 0.000 1.052 311 K CA 0.711 56.665 56.287 -0.555 0.000 0.948 311 K CB 0.021 31.918 32.500 -1.006 0.000 0.728 311 K HN 0.569 nan 8.250 nan 0.000 0.448 312 W N 1.572 122.902 121.300 0.050 0.000 2.882 312 W HA 0.408 5.067 4.660 -0.000 0.000 0.345 312 W C -2.620 173.914 176.519 0.024 0.000 1.125 312 W CA -3.159 54.258 57.345 0.119 0.000 1.167 312 W CB 0.322 29.847 29.460 0.109 0.000 1.431 312 W HN -0.195 nan 8.180 nan 0.000 0.543 313 P HA -0.025 nan 4.420 nan 0.000 0.272 313 P C -0.255 177.114 177.300 0.114 0.000 1.223 313 P CA 0.444 63.599 63.100 0.092 0.000 0.784 313 P CB 0.739 32.461 31.700 0.036 0.000 0.923 314 D N -1.599 118.843 120.400 0.070 0.000 2.737 314 D HA -0.136 4.504 4.640 -0.000 0.000 0.238 314 D C -0.252 176.097 176.300 0.082 0.000 1.157 314 D CA 1.252 55.292 54.000 0.066 0.000 0.694 314 D CB -1.596 39.235 40.800 0.052 0.000 1.021 314 D HN 0.414 nan 8.370 nan 0.000 0.420 315 S N -0.840 114.911 115.700 0.086 0.000 2.550 315 S HA 0.349 4.819 4.470 -0.000 0.000 0.270 315 S C -0.821 173.842 174.600 0.105 0.000 1.145 315 S CA -0.730 57.500 58.200 0.050 0.000 0.852 315 S CB 1.126 64.393 63.200 0.112 0.000 1.119 315 S HN 0.261 nan 8.310 nan 0.000 0.465 316 H N 2.953 122.054 119.070 0.051 0.000 2.764 316 H HA 0.288 4.844 4.556 -0.000 0.000 0.341 316 H C -1.896 173.469 175.328 0.061 0.000 1.072 316 H CA -1.338 54.748 56.048 0.063 0.000 1.444 316 H CB 0.569 30.385 29.762 0.090 0.000 1.458 316 H HN 0.428 nan 8.280 nan 0.000 0.572 317 P HA 0.081 nan 4.420 nan 0.000 0.276 317 P C -1.003 176.468 177.300 0.286 0.000 1.252 317 P CA -0.402 62.780 63.100 0.136 0.000 0.802 317 P CB 1.472 33.153 31.700 -0.032 0.000 1.035 318 D N -1.753 118.830 120.400 0.306 0.000 2.615 318 D HA 0.434 5.074 4.640 -0.000 0.000 0.267 318 D C 0.823 177.375 176.300 0.421 0.000 1.236 318 D CA -0.929 53.333 54.000 0.436 0.000 0.839 318 D CB 0.219 41.249 40.800 0.384 0.000 1.380 318 D HN 0.186 nan 8.370 nan 0.000 0.433 319 A N 0.163 123.249 122.820 0.444 0.000 1.908 319 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 319 A C 2.022 179.593 177.584 -0.021 0.000 1.181 319 A CA 1.760 54.050 52.037 0.421 0.000 0.627 319 A CB -1.036 18.223 19.000 0.431 0.000 0.818 319 A HN 0.633 nan 8.150 nan 0.000 0.445 320 L N -1.377 119.681 121.223 -0.274 0.000 1.989 320 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 320 L C 2.504 179.059 176.870 -0.525 0.000 1.071 320 L CA 2.391 56.692 54.840 -0.899 0.000 0.749 320 L CB -0.409 41.406 42.059 -0.407 0.000 0.890 320 L HN 0.565 nan 8.230 nan 0.000 0.431 321 H N -0.728 118.297 119.070 -0.074 0.000 2.462 321 H HA 0.023 4.579 4.556 -0.000 0.000 0.292 321 H C 2.128 177.432 175.328 -0.040 0.000 1.049 321 H CA 1.004 57.044 56.048 -0.013 0.000 1.334 321 H CB -0.153 29.636 29.762 0.045 0.000 1.404 321 H HN 0.523 nan 8.280 nan 0.000 0.544 322 A N 0.374 123.234 122.820 0.067 0.000 1.873 322 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 322 A C 2.079 179.718 177.584 0.093 0.000 1.186 322 A CA 1.554 53.631 52.037 0.066 0.000 0.616 322 A CB -0.925 17.959 19.000 -0.194 0.000 0.823 322 A HN 0.519 nan 8.150 nan 0.000 0.442 323 Y N -0.543 119.683 120.300 -0.123 0.000 2.133 323 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 323 Y C 1.969 177.508 175.900 -0.601 0.000 1.134 323 Y CA 1.763 59.623 58.100 -0.400 0.000 1.133 323 Y CB -0.612 37.373 38.460 -0.792 0.000 0.987 323 Y HN 0.283 nan 8.280 nan 0.000 0.502 324 F N -0.274 119.303 119.950 -0.622 0.000 2.293 324 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 324 F C 2.542 177.969 175.800 -0.622 0.000 1.086 324 F CA 0.758 58.288 58.000 -0.782 0.000 1.375 324 F CB -0.649 37.911 39.000 -0.733 0.000 1.045 324 F HN 0.165 nan 8.300 nan 0.000 0.516 325 G N 0.406 108.954 108.800 -0.419 0.000 2.402 325 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 325 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 325 G C 1.684 176.114 174.900 -0.783 0.000 1.162 325 G CA 0.672 45.368 45.100 -0.674 0.000 0.777 325 G HN 0.320 nan 8.290 nan 0.000 0.539 326 I N 0.355 120.509 120.570 -0.693 0.000 2.252 326 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 326 I C 2.720 178.544 176.117 -0.489 0.000 1.102 326 I CA 0.626 61.621 61.300 -0.507 0.000 1.385 326 I CB -0.196 37.671 38.000 -0.222 0.000 1.064 326 I HN 0.189 nan 8.210 nan 0.000 0.414 327 C N 0.745 119.680 119.300 -0.607 0.000 2.422 327 C HA -0.079 4.380 4.460 -0.000 0.000 0.279 327 C C 2.918 177.736 174.990 -0.287 0.000 1.305 327 C CA 0.932 59.643 59.018 -0.512 0.000 1.757 327 C CB -1.722 25.523 27.740 -0.825 0.000 1.962 327 C HN 0.668 nan 8.230 nan 0.000 0.499 328 G N 0.303 108.928 108.800 -0.292 0.000 2.418 328 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 328 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 328 G C 1.409 176.155 174.900 -0.257 0.000 1.158 328 G CA 0.591 45.549 45.100 -0.237 0.000 0.771 328 G HN 0.350 nan 8.290 nan 0.000 0.545 329 L N 1.187 122.219 121.223 -0.317 0.000 2.083 329 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 329 L C 3.078 179.787 176.870 -0.268 0.000 1.083 329 L CA 1.852 56.505 54.840 -0.311 0.000 0.752 329 L CB -1.006 40.782 42.059 -0.451 0.000 0.899 329 L HN 0.325 nan 8.230 nan 0.000 0.433 330 S N -0.770 114.768 115.700 -0.270 0.000 2.359 330 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 330 S C 2.049 176.556 174.600 -0.156 0.000 1.035 330 S CA 1.043 59.124 58.200 -0.198 0.000 1.018 330 S CB -0.239 62.846 63.200 -0.192 0.000 0.876 330 S HN 0.251 nan 8.310 nan 0.000 0.448 331 L N 1.114 122.212 121.223 -0.209 0.000 2.137 331 L HA 0.034 4.374 4.340 -0.000 0.000 0.213 331 L C 2.094 178.916 176.870 -0.079 0.000 1.085 331 L CA 1.765 56.449 54.840 -0.261 0.000 0.760 331 L CB -0.869 40.806 42.059 -0.638 0.000 0.893 331 L HN 0.494 nan 8.230 nan 0.000 0.434 332 M N -1.251 118.272 119.600 -0.127 0.000 2.453 332 M HA 0.096 4.576 4.480 -0.000 0.000 0.239 332 M C -0.157 176.169 176.300 0.043 0.000 1.151 332 M CA 0.026 55.241 55.300 -0.142 0.000 0.989 332 M CB 0.130 32.433 32.600 -0.496 0.000 1.548 332 M HN 0.097 nan 8.290 nan 0.000 0.479 333 E N 1.107 121.309 120.200 0.003 0.000 2.246 333 E HA -0.196 4.154 4.350 -0.000 0.000 0.211 333 E C -0.108 176.484 176.600 -0.013 0.000 1.278 333 E CA 0.276 56.681 56.400 0.008 0.000 0.694 333 E CB -1.294 28.442 29.700 0.060 0.000 1.166 333 E HN 0.464 nan 8.360 nan 0.000 0.370 334 E N 1.152 121.302 120.200 -0.083 0.000 2.452 334 E HA 0.023 4.373 4.350 -0.000 0.000 0.261 334 E C -0.234 176.324 176.600 -0.070 0.000 0.987 334 E CA 0.287 56.614 56.400 -0.121 0.000 0.926 334 E CB 0.776 30.299 29.700 -0.295 0.000 0.934 334 E HN 0.198 nan 8.360 nan 0.000 0.452 335 S N 3.581 119.269 115.700 -0.019 0.000 2.466 335 S HA 0.376 4.846 4.470 -0.000 0.000 0.286 335 S C 0.883 175.515 174.600 0.053 0.000 1.221 335 S CA 0.733 58.949 58.200 0.026 0.000 1.091 335 S CB -0.686 62.544 63.200 0.052 0.000 0.956 335 S HN 0.974 nan 8.310 nan 0.000 0.501 336 G N 4.143 112.975 108.800 0.054 0.000 2.184 336 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.206 336 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.206 336 G C -0.064 174.892 174.900 0.092 0.000 0.995 336 G CA -0.051 45.111 45.100 0.102 0.000 0.651 336 G HN 0.715 nan 8.290 nan 0.000 0.511 337 I N 1.021 121.594 120.570 0.006 0.000 2.465 337 I HA 0.364 4.533 4.170 -0.000 0.000 0.291 337 I C 0.950 177.051 176.117 -0.027 0.000 1.014 337 I CA -1.165 60.121 61.300 -0.023 0.000 1.093 337 I CB 1.775 39.685 38.000 -0.150 0.000 1.267 337 I HN 0.083 nan 8.210 nan 0.000 0.431 338 C N 3.870 123.164 119.300 -0.011 0.000 2.727 338 C HA 0.054 4.514 4.460 -0.000 0.000 0.401 338 C C 0.912 175.886 174.990 -0.026 0.000 1.294 338 C CA -0.345 58.669 59.018 -0.007 0.000 2.134 338 C CB -0.151 27.592 27.740 0.004 0.000 2.724 338 C HN 0.678 nan 8.230 nan 0.000 0.677 339 K N 1.310 121.705 120.400 -0.008 0.000 2.316 339 K HA 0.373 4.693 4.320 -0.000 0.000 0.289 339 K C -0.301 176.305 176.600 0.009 0.000 1.070 339 K CA -0.195 56.085 56.287 -0.012 0.000 0.928 339 K CB 0.593 33.094 32.500 0.003 0.000 1.039 339 K HN 0.573 nan 8.250 nan 0.000 0.480 340 V N 5.223 125.134 119.914 -0.005 0.000 2.811 340 V HA -0.001 4.119 4.120 -0.000 0.000 0.302 340 V C -0.181 175.988 176.094 0.125 0.000 1.063 340 V CA -0.302 62.030 62.300 0.054 0.000 1.088 340 V CB 0.852 32.683 31.823 0.013 0.000 0.982 340 V HN 0.804 nan 8.190 nan 0.000 0.485 341 H N 8.807 127.943 119.070 0.110 0.000 2.864 341 H HA 0.334 4.890 4.556 -0.000 0.000 0.281 341 H C -1.769 173.687 175.328 0.213 0.000 1.093 341 H CA -1.932 54.193 56.048 0.127 0.000 1.453 341 H CB 1.746 31.580 29.762 0.120 0.000 1.462 341 H HN 0.543 nan 8.280 nan 0.000 0.480 342 P HA -0.112 nan 4.420 nan 0.000 0.221 342 P C 0.698 178.263 177.300 0.441 0.000 1.145 342 P CA 1.324 64.570 63.100 0.243 0.000 0.795 342 P CB 0.409 32.110 31.700 0.002 0.000 0.775 343 A N -1.085 122.050 122.820 0.525 0.000 2.013 343 A HA 0.138 4.458 4.320 -0.000 0.000 0.204 343 A C 1.919 179.792 177.584 0.481 0.000 1.262 343 A CA 0.166 52.463 52.037 0.433 0.000 0.800 343 A CB -0.972 18.191 19.000 0.271 0.000 0.909 343 A HN 0.125 nan 8.150 nan 0.000 0.472 344 L N -0.344 121.102 121.223 0.371 0.000 2.446 344 L HA 0.200 4.539 4.340 -0.000 0.000 0.219 344 L C 0.544 177.632 176.870 0.363 0.000 1.116 344 L CA 1.159 56.042 54.840 0.071 0.000 0.844 344 L CB -0.706 41.059 42.059 -0.490 0.000 0.970 344 L HN 0.544 nan 8.230 nan 0.000 0.457 345 N N -0.229 118.797 118.700 0.544 0.000 2.746 345 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 345 N C -0.928 174.856 175.510 0.457 0.000 1.055 345 N CA 0.960 54.346 53.050 0.561 0.000 0.699 345 N CB -1.196 37.738 38.487 0.747 0.000 0.919 345 N HN 0.284 nan 8.380 nan 0.000 0.548 346 V N -2.931 117.173 119.914 0.318 0.000 3.178 346 V HA 0.776 4.896 4.120 -0.000 0.000 0.302 346 V C 0.465 176.658 176.094 0.164 0.000 1.262 346 V CA -0.546 61.887 62.300 0.221 0.000 1.030 346 V CB 1.393 33.318 31.823 0.169 0.000 1.074 346 V HN 0.542 nan 8.190 nan 0.000 0.438 347 S N 0.361 116.118 115.700 0.095 0.000 2.558 347 S HA 0.101 4.571 4.470 -0.000 0.000 0.288 347 S C 1.460 176.124 174.600 0.107 0.000 1.318 347 S CA 0.495 58.739 58.200 0.073 0.000 1.056 347 S CB 0.806 64.026 63.200 0.033 0.000 0.853 347 S HN 2.052 nan 8.310 nan 0.000 0.505 348 T N 0.512 115.137 114.554 0.117 0.000 2.833 348 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 348 T C 1.794 176.551 174.700 0.095 0.000 1.054 348 T CA 1.150 63.339 62.100 0.148 0.000 1.135 348 T CB -0.584 68.354 68.868 0.117 0.000 0.869 348 T HN 0.876 nan 8.240 nan 0.000 0.466 349 R N 1.045 121.581 120.500 0.060 0.000 2.096 349 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 349 R C 2.160 178.476 176.300 0.027 0.000 1.127 349 R CA 1.880 58.003 56.100 0.038 0.000 0.968 349 R CB -1.378 28.938 30.300 0.027 0.000 0.861 349 R HN 0.323 nan 8.270 nan 0.000 0.440 350 T N 0.824 115.396 114.554 0.031 0.000 2.904 350 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 350 T C 1.973 176.674 174.700 0.002 0.000 1.059 350 T CA 1.453 63.561 62.100 0.013 0.000 1.137 350 T CB -0.136 68.744 68.868 0.020 0.000 0.879 350 T HN 0.598 nan 8.240 nan 0.000 0.467 351 S N 1.485 117.203 115.700 0.031 0.000 2.406 351 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 351 S C 1.817 176.418 174.600 0.003 0.000 1.020 351 S CA 0.816 59.024 58.200 0.014 0.000 0.965 351 S CB -0.269 62.970 63.200 0.065 0.000 0.798 351 S HN 0.545 nan 8.310 nan 0.000 0.488 352 E N 1.144 121.355 120.200 0.019 0.000 2.046 352 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 352 E C 2.276 178.844 176.600 -0.054 0.000 0.982 352 E CA 1.021 57.420 56.400 -0.001 0.000 0.800 352 E CB -0.175 29.536 29.700 0.018 0.000 0.756 352 E HN 0.438 nan 8.360 nan 0.000 0.449 353 R N 1.412 121.882 120.500 -0.050 0.000 2.103 353 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 353 R C 2.098 178.309 176.300 -0.149 0.000 1.142 353 R CA 1.328 57.384 56.100 -0.073 0.000 0.960 353 R CB -0.851 29.422 30.300 -0.045 0.000 0.858 353 R HN 0.235 nan 8.270 nan 0.000 0.439 354 L N 0.597 121.709 121.223 -0.184 0.000 2.093 354 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 354 L C 2.461 178.985 176.870 -0.577 0.000 1.085 354 L CA 1.905 56.526 54.840 -0.364 0.000 0.755 354 L CB -0.620 41.266 42.059 -0.289 0.000 0.904 354 L HN 0.271 nan 8.230 nan 0.000 0.435 355 R N -0.511 119.790 120.500 -0.332 0.000 2.091 355 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 355 R C 1.840 177.996 176.300 -0.239 0.000 1.136 355 R CA 1.916 57.861 56.100 -0.257 0.000 0.959 355 R CB -0.301 29.953 30.300 -0.077 0.000 0.856 355 R HN 0.445 nan 8.270 nan 0.000 0.437 356 D N 0.687 120.969 120.400 -0.196 0.000 2.117 356 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 356 D C 1.960 178.119 176.300 -0.235 0.000 0.987 356 D CA 0.835 54.742 54.000 -0.154 0.000 0.829 356 D CB -0.257 40.483 40.800 -0.101 0.000 0.961 356 D HN 0.256 nan 8.370 nan 0.000 0.460 357 L N 0.236 121.246 121.223 -0.355 0.000 2.079 357 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 357 L C 2.305 178.621 176.870 -0.922 0.000 1.081 357 L CA 1.488 56.012 54.840 -0.527 0.000 0.752 357 L CB -0.248 41.492 42.059 -0.532 0.000 0.896 357 L HN 0.245 nan 8.230 nan 0.000 0.433 358 H N -1.655 116.923 119.070 -0.820 0.000 2.363 358 H HA -0.169 4.387 4.556 -0.000 0.000 0.301 358 H C 2.457 177.587 175.328 -0.330 0.000 1.074 358 H CA 1.033 56.645 56.048 -0.727 0.000 1.354 358 H CB 0.082 29.583 29.762 -0.434 0.000 1.397 358 H HN 0.455 nan 8.280 nan 0.000 0.516 359 Q N 1.104 120.848 119.800 -0.094 0.000 2.170 359 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 359 Q C 2.389 178.389 176.000 -0.000 0.000 0.976 359 Q CA 1.711 57.498 55.803 -0.027 0.000 0.858 359 Q CB -0.820 27.901 28.738 -0.028 0.000 0.907 359 Q HN 0.642 nan 8.270 nan 0.000 0.433 360 S N -1.272 114.405 115.700 -0.038 0.000 2.371 360 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 360 S C 1.822 176.548 174.600 0.210 0.000 1.029 360 S CA 1.060 59.296 58.200 0.061 0.000 0.978 360 S CB -0.569 62.665 63.200 0.056 0.000 0.833 360 S HN 0.779 nan 8.310 nan 0.000 0.466 361 W N 2.749 124.076 121.300 0.044 0.000 2.338 361 W HA 0.181 4.841 4.660 -0.000 0.000 0.304 361 W C 1.850 178.378 176.519 0.016 0.000 1.212 361 W CA 0.546 57.908 57.345 0.028 0.000 1.264 361 W CB -1.286 28.191 29.460 0.028 0.000 1.142 361 W HN 0.499 nan 8.180 nan 0.000 0.512 362 K N 2.056 122.598 120.400 0.237 0.000 2.079 362 K HA 0.339 4.659 4.320 -0.000 0.000 0.255 362 K C 0.303 176.962 176.600 0.098 0.000 1.114 362 K CA 0.928 57.295 56.287 0.134 0.000 1.056 362 K CB -1.394 31.159 32.500 0.087 0.000 1.176 362 K HN 0.270 nan 8.250 nan 0.000 0.353 363 T N 0.000 114.608 114.554 0.090 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.139 62.100 0.064 0.000 1.349 363 T CB 0.000 68.910 68.868 0.070 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658