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 1n4s_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 0.000 176.917 176.870 0.078 0.000 1.165 18 L CA 0.000 54.872 54.840 0.053 0.000 0.813 18 L CB 0.000 42.078 42.059 0.032 0.000 0.961 19 D N -0.015 120.433 120.400 0.080 0.000 2.414 19 D HA 0.408 5.048 4.640 -0.000 0.000 0.241 19 D C -1.124 175.290 176.300 0.190 0.000 1.008 19 D CA -0.359 53.712 54.000 0.118 0.000 1.001 19 D CB 2.071 42.912 40.800 0.069 0.000 1.277 19 D HN 0.093 nan 8.370 nan 0.000 0.538 20 F N 0.804 120.792 119.950 0.062 0.000 2.371 20 F HA 0.292 4.819 4.527 -0.000 0.000 0.363 20 F C -0.508 175.329 175.800 0.062 0.000 1.122 20 F CA -1.296 56.773 58.000 0.114 0.000 1.129 20 F CB 0.528 39.611 39.000 0.138 0.000 1.173 20 F HN 0.101 nan 8.300 nan 0.000 0.489 21 L N 7.722 128.669 121.223 -0.460 0.000 2.511 21 L HA 0.160 4.500 4.340 -0.000 0.000 0.239 21 L C 2.009 178.359 176.870 -0.866 0.000 1.400 21 L CA 0.506 54.984 54.840 -0.603 0.000 1.226 21 L CB -1.344 40.348 42.059 -0.613 0.000 1.475 21 L HN 0.700 nan 8.230 nan 0.000 0.428 22 R N 0.430 120.450 120.500 -0.801 0.000 2.133 22 R HA -0.222 4.118 4.340 -0.000 0.000 0.245 22 R C 1.249 177.390 176.300 -0.266 0.000 1.137 22 R CA 2.201 57.984 56.100 -0.529 0.000 0.947 22 R CB 0.120 30.353 30.300 -0.112 0.000 0.865 22 R HN 0.482 nan 8.270 nan 0.000 0.437 23 D N -0.278 119.993 120.400 -0.216 0.000 2.149 23 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 23 D C 2.086 178.274 176.300 -0.186 0.000 0.990 23 D CA 1.153 55.067 54.000 -0.143 0.000 0.839 23 D CB -0.194 40.537 40.800 -0.115 0.000 0.948 23 D HN 0.202 nan 8.370 nan 0.000 0.460 24 R N -0.072 120.231 120.500 -0.329 0.000 2.081 24 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 24 R C 2.258 178.359 176.300 -0.331 0.000 1.131 24 R CA 1.070 56.957 56.100 -0.355 0.000 0.960 24 R CB -0.187 29.815 30.300 -0.497 0.000 0.856 24 R HN 0.322 nan 8.270 nan 0.000 0.436 25 H N -0.889 118.022 119.070 -0.266 0.000 2.423 25 H HA -0.035 4.521 4.556 -0.000 0.000 0.297 25 H C 2.030 177.278 175.328 -0.133 0.000 1.075 25 H CA 1.422 57.294 56.048 -0.294 0.000 1.342 25 H CB -0.206 29.390 29.762 -0.276 0.000 1.395 25 H HN 0.059 nan 8.280 nan 0.000 0.530 26 V N 1.078 121.040 119.914 0.080 0.000 2.358 26 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 26 V C 2.561 178.719 176.094 0.107 0.000 1.047 26 V CA 1.547 63.942 62.300 0.159 0.000 1.035 26 V CB -0.311 31.568 31.823 0.093 0.000 0.658 26 V HN 0.309 nan 8.190 nan 0.000 0.452 27 R N -1.054 119.459 120.500 0.022 0.000 2.092 27 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 27 R C 2.249 178.544 176.300 -0.008 0.000 1.119 27 R CA 1.818 57.914 56.100 -0.005 0.000 0.970 27 R CB -0.502 29.772 30.300 -0.043 0.000 0.864 27 R HN 0.533 nan 8.270 nan 0.000 0.440 28 F N 0.750 120.600 119.950 -0.167 0.000 2.095 28 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 28 F C 1.741 177.449 175.800 -0.153 0.000 1.104 28 F CA 1.628 59.497 58.000 -0.218 0.000 1.232 28 F CB -0.322 38.470 39.000 -0.347 0.000 0.987 28 F HN -0.096 nan 8.300 nan 0.000 0.475 29 F N 0.429 120.491 119.950 0.186 0.000 2.216 29 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 29 F C 2.504 178.255 175.800 -0.082 0.000 1.085 29 F CA 1.105 59.141 58.000 0.059 0.000 1.326 29 F CB -0.539 38.526 39.000 0.108 0.000 1.027 29 F HN 0.057 nan 8.300 nan 0.000 0.497 30 Q N 0.129 119.986 119.800 0.096 0.000 2.084 30 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 30 Q C 2.199 178.147 176.000 -0.087 0.000 0.978 30 Q CA 1.356 57.158 55.803 -0.001 0.000 0.844 30 Q CB -0.318 28.413 28.738 -0.011 0.000 0.898 30 Q HN 0.382 nan 8.270 nan 0.000 0.426 31 R N -0.079 120.328 120.500 -0.154 0.000 2.120 31 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 31 R C 2.389 178.536 176.300 -0.255 0.000 1.123 31 R CA 1.272 57.242 56.100 -0.218 0.000 0.975 31 R CB -0.320 29.809 30.300 -0.284 0.000 0.866 31 R HN 0.287 nan 8.270 nan 0.000 0.446 32 C N 0.073 119.206 119.300 -0.278 0.000 2.425 32 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 32 C C 1.991 176.881 174.990 -0.166 0.000 1.280 32 C CA 0.341 59.218 59.018 -0.234 0.000 1.744 32 C CB -0.614 27.059 27.740 -0.111 0.000 1.989 32 C HN 0.391 nan 8.230 nan 0.000 0.491 33 L N 0.659 121.799 121.223 -0.139 0.000 2.552 33 L HA 0.028 4.368 4.340 -0.000 0.000 0.227 33 L C 2.002 178.756 176.870 -0.193 0.000 1.146 33 L CA 1.371 56.110 54.840 -0.169 0.000 0.858 33 L CB -1.458 40.517 42.059 -0.140 0.000 0.969 33 L HN 0.574 nan 8.230 nan 0.000 0.451 34 Q N -1.129 118.570 119.800 -0.169 0.000 2.349 34 Q HA 0.231 4.571 4.340 -0.000 0.000 0.455 34 Q C -0.249 175.663 176.000 -0.146 0.000 1.031 34 Q CA 0.076 55.788 55.803 -0.153 0.000 0.693 34 Q CB 0.283 28.945 28.738 -0.127 0.000 3.634 34 Q HN 0.056 nan 8.270 nan 0.000 0.358 35 V N 1.493 121.332 119.914 -0.124 0.000 2.656 35 V HA 0.404 4.523 4.120 -0.000 0.000 0.307 35 V C -0.774 175.266 176.094 -0.090 0.000 1.051 35 V CA -0.571 61.673 62.300 -0.094 0.000 0.893 35 V CB 1.757 33.540 31.823 -0.066 0.000 0.999 35 V HN 0.291 nan 8.190 nan 0.000 0.426 36 L N 4.756 125.944 121.223 -0.058 0.000 2.334 36 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 36 L C -2.342 174.594 176.870 0.111 0.000 1.013 36 L CA -1.812 53.017 54.840 -0.020 0.000 0.816 36 L CB 1.768 43.781 42.059 -0.075 0.000 1.278 36 L HN 0.431 nan 8.230 nan 0.000 0.431 37 P HA 0.051 nan 4.420 nan 0.000 0.272 37 P C 0.306 177.703 177.300 0.161 0.000 1.230 37 P CA -0.429 62.773 63.100 0.171 0.000 0.788 37 P CB 0.657 32.459 31.700 0.170 0.000 0.949 38 E N 1.437 121.674 120.200 0.063 0.000 2.396 38 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 38 E C 1.558 178.146 176.600 -0.020 0.000 1.023 38 E CA 0.424 56.846 56.400 0.036 0.000 0.857 38 E CB 0.048 29.758 29.700 0.017 0.000 0.775 38 E HN 0.332 nan 8.360 nan 0.000 0.525 39 R N -0.502 119.925 120.500 -0.121 0.000 2.316 39 R HA -0.127 4.213 4.340 -0.000 0.000 0.202 39 R C 0.439 176.491 176.300 -0.414 0.000 1.029 39 R CA 0.972 56.897 56.100 -0.292 0.000 1.018 39 R CB -0.191 29.858 30.300 -0.418 0.000 0.888 39 R HN 0.244 nan 8.270 nan 0.000 0.471 40 Y N 1.227 121.541 120.300 0.024 0.000 2.571 40 Y HA 0.161 4.711 4.550 -0.000 0.000 0.275 40 Y C 2.038 177.956 175.900 0.030 0.000 1.179 40 Y CA 0.036 58.156 58.100 0.033 0.000 1.242 40 Y CB 0.748 39.225 38.460 0.029 0.000 1.126 40 Y HN 0.216 nan 8.280 nan 0.000 0.524 41 S N -0.536 115.222 115.700 0.096 0.000 2.402 41 S HA -0.260 4.210 4.470 -0.000 0.000 0.233 41 S C 2.042 176.677 174.600 0.058 0.000 1.030 41 S CA 1.549 59.791 58.200 0.070 0.000 1.003 41 S CB -0.808 62.415 63.200 0.037 0.000 0.813 41 S HN 0.500 nan 8.310 nan 0.000 0.477 42 S N 1.211 116.946 115.700 0.059 0.000 2.595 42 S HA 0.200 4.670 4.470 -0.000 0.000 0.235 42 S C 1.381 176.016 174.600 0.059 0.000 0.974 42 S CA 0.377 58.606 58.200 0.048 0.000 0.942 42 S CB -0.691 62.541 63.200 0.053 0.000 0.766 42 S HN 0.586 nan 8.310 nan 0.000 0.536 43 L N 0.415 121.693 121.223 0.091 0.000 2.607 43 L HA 0.287 4.627 4.340 -0.000 0.000 0.228 43 L C 2.419 179.318 176.870 0.049 0.000 1.123 43 L CA 0.184 55.080 54.840 0.092 0.000 0.890 43 L CB -0.223 41.924 42.059 0.146 0.000 1.103 43 L HN 0.234 nan 8.230 nan 0.000 0.468 44 E N 1.331 121.546 120.200 0.024 0.000 2.065 44 E HA -0.275 4.075 4.350 -0.000 0.000 0.201 44 E C 2.032 178.596 176.600 -0.060 0.000 1.016 44 E CA 2.472 58.875 56.400 0.005 0.000 0.818 44 E CB -0.218 29.472 29.700 -0.017 0.000 0.749 44 E HN 0.424 nan 8.360 nan 0.000 0.453 45 T N -2.380 112.048 114.554 -0.209 0.000 3.163 45 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 45 T C 0.941 175.555 174.700 -0.143 0.000 1.156 45 T CA 0.732 62.641 62.100 -0.318 0.000 1.072 45 T CB -0.317 68.256 68.868 -0.491 0.000 0.937 45 T HN 0.134 nan 8.240 nan 0.000 0.528 46 S N -0.605 115.056 115.700 -0.065 0.000 2.901 46 S HA 0.427 4.897 4.470 -0.000 0.000 0.248 46 S C 1.000 175.613 174.600 0.020 0.000 1.021 46 S CA -0.975 57.194 58.200 -0.051 0.000 1.090 46 S CB 0.235 63.401 63.200 -0.055 0.000 1.039 46 S HN 0.311 nan 8.310 nan 0.000 0.514 47 R N 0.239 120.789 120.500 0.084 0.000 2.115 47 R HA 0.075 4.415 4.340 -0.000 0.000 0.230 47 R C 1.923 178.344 176.300 0.202 0.000 1.111 47 R CA 0.983 57.176 56.100 0.155 0.000 0.976 47 R CB -0.387 30.063 30.300 0.250 0.000 0.870 47 R HN 0.387 nan 8.270 nan 0.000 0.445 48 L N 0.950 122.276 121.223 0.170 0.000 2.083 48 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 48 L C 2.304 179.157 176.870 -0.030 0.000 1.083 48 L CA 2.290 57.199 54.840 0.115 0.000 0.752 48 L CB -0.854 41.165 42.059 -0.066 0.000 0.899 48 L HN 0.279 nan 8.230 nan 0.000 0.433 49 T N -3.560 110.920 114.554 -0.123 0.000 2.995 49 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 49 T C 1.936 176.394 174.700 -0.404 0.000 1.091 49 T CA 0.845 62.755 62.100 -0.317 0.000 1.128 49 T CB -0.387 68.277 68.868 -0.340 0.000 0.891 49 T HN 0.186 nan 8.240 nan 0.000 0.492 50 I N 2.272 122.772 120.570 -0.117 0.000 2.252 50 I HA 0.056 4.226 4.170 -0.000 0.000 0.245 50 I C 3.116 179.220 176.117 -0.021 0.000 1.102 50 I CA 1.037 62.353 61.300 0.027 0.000 1.385 50 I CB -1.752 36.295 38.000 0.078 0.000 1.064 50 I HN 0.389 nan 8.210 nan 0.000 0.414 51 A N 0.854 123.661 122.820 -0.020 0.000 1.908 51 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 51 A C 2.304 179.810 177.584 -0.130 0.000 1.181 51 A CA 1.520 53.535 52.037 -0.036 0.000 0.627 51 A CB -1.121 17.948 19.000 0.115 0.000 0.818 51 A HN 0.384 nan 8.150 nan 0.000 0.445 52 F N 0.000 119.756 119.950 -0.324 0.000 2.069 52 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 52 F C 2.004 177.473 175.800 -0.551 0.000 1.113 52 F CA 1.788 59.504 58.000 -0.474 0.000 1.214 52 F CB -0.656 37.962 39.000 -0.635 0.000 0.978 52 F HN 0.260 nan 8.300 nan 0.000 0.474 53 F N 0.231 119.783 119.950 -0.663 0.000 2.126 53 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 53 F C 2.598 177.865 175.800 -0.890 0.000 1.096 53 F CA 0.726 58.163 58.000 -0.939 0.000 1.255 53 F CB -0.869 37.928 39.000 -0.338 0.000 0.997 53 F HN 0.161 nan 8.300 nan 0.000 0.479 54 A N 0.383 122.993 122.820 -0.349 0.000 1.872 54 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 54 A C 2.130 179.377 177.584 -0.562 0.000 1.187 54 A CA 1.051 52.842 52.037 -0.410 0.000 0.614 54 A CB -0.967 17.998 19.000 -0.057 0.000 0.826 54 A HN 0.327 nan 8.150 nan 0.000 0.442 55 L N -0.864 120.102 121.223 -0.428 0.000 2.017 55 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 55 L C 2.869 179.470 176.870 -0.448 0.000 1.073 55 L CA 1.605 56.234 54.840 -0.352 0.000 0.745 55 L CB -0.516 41.395 42.059 -0.247 0.000 0.894 55 L HN 0.440 nan 8.230 nan 0.000 0.432 56 S N -0.214 115.065 115.700 -0.701 0.000 2.423 56 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 56 S C 1.938 176.292 174.600 -0.411 0.000 1.014 56 S CA 1.160 58.976 58.200 -0.641 0.000 0.965 56 S CB -0.326 62.134 63.200 -1.233 0.000 0.785 56 S HN 0.544 nan 8.310 nan 0.000 0.495 57 G N 1.255 109.655 108.800 -0.667 0.000 2.402 57 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 57 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 57 G C 1.367 176.010 174.900 -0.428 0.000 1.162 57 G CA 0.612 45.282 45.100 -0.716 0.000 0.777 57 G HN 0.500 nan 8.290 nan 0.000 0.539 58 L N 0.338 121.319 121.223 -0.403 0.000 2.056 58 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 58 L C 2.566 179.400 176.870 -0.060 0.000 1.078 58 L CA 1.262 56.046 54.840 -0.092 0.000 0.749 58 L CB -0.315 41.702 42.059 -0.069 0.000 0.901 58 L HN 0.177 nan 8.230 nan 0.000 0.433 59 D N 0.197 120.527 120.400 -0.117 0.000 2.104 59 D HA -0.263 4.377 4.640 -0.000 0.000 0.194 59 D C 2.140 178.417 176.300 -0.039 0.000 0.994 59 D CA 1.452 55.409 54.000 -0.072 0.000 0.830 59 D CB 0.032 40.774 40.800 -0.097 0.000 0.959 59 D HN 0.020 nan 8.370 nan 0.000 0.452 60 M N -0.386 119.182 119.600 -0.053 0.000 2.267 60 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 60 M C 1.526 177.838 176.300 0.020 0.000 1.063 60 M CA 1.132 56.412 55.300 -0.033 0.000 1.090 60 M CB -0.042 32.511 32.600 -0.079 0.000 1.392 60 M HN 0.103 nan 8.290 nan 0.000 0.422 61 L N -1.382 119.880 121.223 0.065 0.000 2.607 61 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 61 L C 0.211 177.136 176.870 0.092 0.000 1.123 61 L CA -0.079 54.841 54.840 0.133 0.000 0.890 61 L CB -0.316 41.877 42.059 0.224 0.000 1.103 61 L HN 0.266 nan 8.230 nan 0.000 0.468 62 D N 0.311 120.740 120.400 0.049 0.000 2.716 62 D HA -0.193 4.447 4.640 -0.000 0.000 0.239 62 D C 0.144 176.467 176.300 0.039 0.000 1.125 62 D CA 0.730 54.752 54.000 0.035 0.000 0.681 62 D CB -0.842 39.982 40.800 0.040 0.000 1.070 62 D HN 0.195 nan 8.370 nan 0.000 0.432 63 S N -0.266 115.456 115.700 0.036 0.000 2.902 63 S HA 0.213 4.683 4.470 -0.000 0.000 0.250 63 S C 1.468 176.079 174.600 0.018 0.000 1.046 63 S CA -0.599 57.623 58.200 0.037 0.000 1.069 63 S CB 0.245 63.484 63.200 0.064 0.000 0.967 63 S HN 0.395 nan 8.310 nan 0.000 0.530 64 L N 2.184 123.407 121.223 0.001 0.000 2.456 64 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 64 L C 2.240 179.107 176.870 -0.006 0.000 1.148 64 L CA 1.094 55.926 54.840 -0.014 0.000 0.825 64 L CB -0.231 41.815 42.059 -0.023 0.000 0.937 64 L HN 0.506 nan 8.230 nan 0.000 0.450 65 D N 0.024 120.426 120.400 0.002 0.000 2.312 65 D HA -0.132 4.508 4.640 -0.000 0.000 0.211 65 D C 1.721 178.022 176.300 0.001 0.000 0.964 65 D CA 1.221 55.223 54.000 0.003 0.000 0.877 65 D CB -0.235 40.569 40.800 0.006 0.000 0.924 65 D HN 0.369 nan 8.370 nan 0.000 0.515 66 V N -0.449 119.467 119.914 0.003 0.000 3.592 66 V HA 0.112 4.231 4.120 -0.000 0.000 0.272 66 V C 0.768 176.856 176.094 -0.009 0.000 1.228 66 V CA 0.188 62.488 62.300 -0.000 0.000 1.173 66 V CB -1.155 30.673 31.823 0.008 0.000 0.873 66 V HN 0.207 nan 8.190 nan 0.000 0.476 67 V N -2.479 117.428 119.914 -0.011 0.000 3.102 67 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 67 V C -0.350 175.737 176.094 -0.011 0.000 1.135 67 V CA -0.965 61.323 62.300 -0.020 0.000 1.022 67 V CB 1.946 33.752 31.823 -0.030 0.000 1.056 67 V HN 0.243 nan 8.190 nan 0.000 0.436 68 N N 1.794 120.488 118.700 -0.011 0.000 2.602 68 N HA 0.263 5.003 4.740 -0.000 0.000 0.238 68 N C 0.823 176.343 175.510 0.017 0.000 1.084 68 N CA -0.141 52.911 53.050 0.003 0.000 0.952 68 N CB 0.944 39.433 38.487 0.003 0.000 1.244 68 N HN 0.807 nan 8.380 nan 0.000 0.512 69 K N 1.365 121.777 120.400 0.019 0.000 2.089 69 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 69 K C 0.781 177.417 176.600 0.059 0.000 1.048 69 K CA 1.447 57.753 56.287 0.031 0.000 0.926 69 K CB 0.224 32.740 32.500 0.026 0.000 0.714 69 K HN 0.510 nan 8.250 nan 0.000 0.448 70 D N 0.986 121.423 120.400 0.061 0.000 2.117 70 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 70 D C 1.531 177.898 176.300 0.112 0.000 0.987 70 D CA 1.194 55.244 54.000 0.085 0.000 0.829 70 D CB -0.176 40.665 40.800 0.068 0.000 0.961 70 D HN 0.205 nan 8.370 nan 0.000 0.460 71 D N 0.854 121.309 120.400 0.093 0.000 2.084 71 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 71 D C 2.363 178.769 176.300 0.177 0.000 0.990 71 D CA 0.426 54.496 54.000 0.117 0.000 0.826 71 D CB -0.391 40.444 40.800 0.059 0.000 0.971 71 D HN 0.277 nan 8.370 nan 0.000 0.453 72 I N 0.889 121.541 120.570 0.135 0.000 2.264 72 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 72 I C 2.397 178.666 176.117 0.253 0.000 1.111 72 I CA 0.728 62.143 61.300 0.192 0.000 1.382 72 I CB -0.202 37.854 38.000 0.094 0.000 1.060 72 I HN -0.025 nan 8.210 nan 0.000 0.418 73 I N 0.446 121.123 120.570 0.178 0.000 2.286 73 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 73 I C 2.511 178.781 176.117 0.256 0.000 1.115 73 I CA 1.166 62.564 61.300 0.164 0.000 1.392 73 I CB -0.407 37.700 38.000 0.178 0.000 1.065 73 I HN 0.243 nan 8.210 nan 0.000 0.418 74 E N -0.033 120.344 120.200 0.296 0.000 2.106 74 E HA -0.250 4.099 4.350 -0.000 0.000 0.192 74 E C 1.724 178.522 176.600 0.331 0.000 0.984 74 E CA 1.127 57.722 56.400 0.325 0.000 0.806 74 E CB -0.462 29.436 29.700 0.331 0.000 0.750 74 E HN 0.608 nan 8.360 nan 0.000 0.458 75 W N 1.907 123.335 121.300 0.213 0.000 2.355 75 W HA -0.130 4.530 4.660 -0.000 0.000 0.309 75 W C 2.005 178.582 176.519 0.096 0.000 1.206 75 W CA 1.432 58.905 57.345 0.214 0.000 1.284 75 W CB -0.478 29.081 29.460 0.164 0.000 1.145 75 W HN -0.066 nan 8.180 nan 0.000 0.502 76 I N -0.560 119.993 120.570 -0.029 0.000 2.163 76 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 76 I C 2.101 178.104 176.117 -0.190 0.000 1.085 76 I CA 1.463 62.583 61.300 -0.300 0.000 1.347 76 I CB -0.883 36.985 38.000 -0.220 0.000 1.044 76 I HN -0.058 nan 8.210 nan 0.000 0.408 77 Y N 1.067 121.353 120.300 -0.024 0.000 2.421 77 Y HA -0.195 4.355 4.550 -0.000 0.000 0.292 77 Y C 2.907 178.660 175.900 -0.245 0.000 1.136 77 Y CA 1.266 59.335 58.100 -0.052 0.000 1.255 77 Y CB -0.610 37.825 38.460 -0.042 0.000 0.991 77 Y HN 0.272 nan 8.280 nan 0.000 0.552 78 S N -1.058 114.501 115.700 -0.236 0.000 2.522 78 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 78 S C 1.506 175.881 174.600 -0.374 0.000 0.986 78 S CA 0.579 58.496 58.200 -0.472 0.000 0.929 78 S CB -0.611 62.073 63.200 -0.859 0.000 0.769 78 S HN 0.479 nan 8.310 nan 0.000 0.529 79 L N 0.516 121.535 121.223 -0.340 0.000 2.592 79 L HA 0.276 4.616 4.340 -0.000 0.000 0.227 79 L C 1.289 177.961 176.870 -0.330 0.000 1.127 79 L CA -0.010 54.656 54.840 -0.290 0.000 0.884 79 L CB -0.197 41.684 42.059 -0.297 0.000 1.065 79 L HN 0.406 nan 8.230 nan 0.000 0.457 80 Q N 1.369 120.855 119.800 -0.524 0.000 2.296 80 Q HA 0.196 4.536 4.340 -0.000 0.000 0.262 80 Q C -0.724 174.965 176.000 -0.519 0.000 0.981 80 Q CA -0.260 54.974 55.803 -0.949 0.000 0.905 80 Q CB 1.479 29.619 28.738 -0.996 0.000 1.186 80 Q HN -0.019 nan 8.270 nan 0.000 0.399 81 V N 6.919 126.558 119.914 -0.458 0.000 2.356 81 V HA 0.174 4.294 4.120 -0.000 0.000 0.258 81 V C 0.194 176.139 176.094 -0.247 0.000 1.065 81 V CA -0.147 61.988 62.300 -0.275 0.000 0.935 81 V CB 0.136 31.840 31.823 -0.198 0.000 1.061 81 V HN 0.725 nan 8.190 nan 0.000 0.484 82 L N 7.883 128.981 121.223 -0.209 0.000 2.379 82 L HA 0.496 4.836 4.340 -0.000 0.000 0.269 82 L C -1.845 174.951 176.870 -0.123 0.000 1.084 82 L CA -1.833 52.907 54.840 -0.167 0.000 0.802 82 L CB 1.493 43.459 42.059 -0.155 0.000 1.175 82 L HN 0.386 nan 8.230 nan 0.000 0.448 83 P HA 0.073 nan 4.420 nan 0.000 0.271 83 P C -0.538 176.717 177.300 -0.074 0.000 1.218 83 P CA -0.353 62.698 63.100 -0.082 0.000 0.780 83 P CB 0.681 32.337 31.700 -0.073 0.000 0.901 84 T N -1.829 112.687 114.554 -0.064 0.000 2.766 84 T HA 0.261 4.611 4.350 -0.000 0.000 0.295 84 T C 1.756 176.426 174.700 -0.051 0.000 1.024 84 T CA 0.256 62.323 62.100 -0.056 0.000 1.018 84 T CB -0.271 68.568 68.868 -0.049 0.000 1.002 84 T HN 0.458 nan 8.240 nan 0.000 0.532 85 E N 1.142 121.315 120.200 -0.046 0.000 2.086 85 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 85 E C 1.515 178.091 176.600 -0.040 0.000 1.012 85 E CA 1.998 58.373 56.400 -0.042 0.000 0.812 85 E CB -1.465 28.213 29.700 -0.037 0.000 0.743 85 E HN 0.984 nan 8.360 nan 0.000 0.453 86 D N -0.641 119.737 120.400 -0.038 0.000 2.363 86 D HA -0.036 4.604 4.640 -0.000 0.000 0.226 86 D C 0.335 176.612 176.300 -0.038 0.000 1.020 86 D CA 0.322 54.300 54.000 -0.036 0.000 0.892 86 D CB -0.500 40.280 40.800 -0.034 0.000 0.900 86 D HN 0.505 nan 8.370 nan 0.000 0.531 87 R N -0.026 120.448 120.500 -0.043 0.000 3.387 87 R HA -0.167 4.173 4.340 -0.000 0.000 0.254 87 R C 0.418 176.693 176.300 -0.042 0.000 1.006 87 R CA 0.893 56.967 56.100 -0.045 0.000 0.677 87 R CB -2.813 27.461 30.300 -0.043 0.000 1.063 87 R HN 0.465 nan 8.270 nan 0.000 0.453 88 S N -0.310 115.364 115.700 -0.043 0.000 2.577 88 S HA 0.006 4.476 4.470 -0.000 0.000 0.219 88 S C 0.889 175.462 174.600 -0.045 0.000 0.962 88 S CA 0.058 58.233 58.200 -0.041 0.000 0.921 88 S CB 0.176 63.352 63.200 -0.040 0.000 0.789 88 S HN 0.549 nan 8.310 nan 0.000 0.497 89 N N 1.103 119.774 118.700 -0.048 0.000 2.365 89 N HA 0.220 4.960 4.740 -0.000 0.000 0.257 89 N C 0.775 176.253 175.510 -0.053 0.000 1.287 89 N CA -0.402 52.617 53.050 -0.052 0.000 0.882 89 N CB -0.479 37.974 38.487 -0.055 0.000 1.250 89 N HN 0.313 nan 8.380 nan 0.000 0.507 90 L N 0.165 121.359 121.223 -0.048 0.000 2.042 90 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 90 L C 0.968 177.813 176.870 -0.042 0.000 1.076 90 L CA 1.458 56.270 54.840 -0.047 0.000 0.749 90 L CB -0.290 41.745 42.059 -0.041 0.000 0.893 90 L HN 0.062 nan 8.230 nan 0.000 0.432 91 D N -0.072 120.306 120.400 -0.037 0.000 2.403 91 D HA -0.111 4.529 4.640 -0.000 0.000 0.227 91 D C 1.505 177.785 176.300 -0.034 0.000 0.995 91 D CA 0.852 54.833 54.000 -0.032 0.000 0.928 91 D CB 0.052 40.834 40.800 -0.031 0.000 0.887 91 D HN 0.292 nan 8.370 nan 0.000 0.529 92 R N -1.010 119.464 120.500 -0.043 0.000 2.565 92 R HA 0.251 4.591 4.340 -0.000 0.000 0.347 92 R C -0.166 176.100 176.300 -0.058 0.000 1.010 92 R CA -0.252 55.820 56.100 -0.046 0.000 1.126 92 R CB 0.435 30.707 30.300 -0.047 0.000 1.331 92 R HN 0.063 nan 8.270 nan 0.000 0.552 93 C N 0.685 119.948 119.300 -0.062 0.000 2.520 93 C HA 0.792 5.252 4.460 -0.000 0.000 0.376 93 C C 1.381 176.331 174.990 -0.067 0.000 1.268 93 C CA 0.298 59.264 59.018 -0.086 0.000 2.414 93 C CB 0.987 28.673 27.740 -0.091 0.000 2.521 93 C HN 0.788 nan 8.230 nan 0.000 0.618 94 G N 0.638 109.373 108.800 -0.109 0.000 2.366 94 G HA2 0.262 4.221 3.960 -0.000 0.000 0.190 94 G HA3 0.262 4.221 3.960 -0.000 0.000 0.190 94 G C -1.629 173.191 174.900 -0.133 0.000 1.299 94 G CA -0.540 44.556 45.100 -0.007 0.000 1.056 94 G HN 0.428 nan 8.290 nan 0.000 0.468 95 F N 1.215 121.120 119.950 -0.075 0.000 2.561 95 F HA 0.773 5.300 4.527 -0.000 0.000 0.321 95 F C 0.889 176.643 175.800 -0.075 0.000 1.065 95 F CA -0.709 57.227 58.000 -0.105 0.000 0.934 95 F CB 2.110 41.022 39.000 -0.148 0.000 1.215 95 F HN 0.394 nan 8.300 nan 0.000 0.471 96 R N 0.098 120.631 120.500 0.055 0.000 2.532 96 R HA 0.467 4.807 4.340 -0.000 0.000 0.272 96 R C 1.034 177.358 176.300 0.040 0.000 1.032 96 R CA -0.300 55.826 56.100 0.043 0.000 1.089 96 R CB 0.670 30.950 30.300 -0.034 0.000 1.098 96 R HN 0.914 nan 8.270 nan 0.000 0.526 97 G N -0.106 108.742 108.800 0.080 0.000 2.464 97 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 97 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 97 G C 0.284 175.230 174.900 0.076 0.000 1.138 97 G CA 0.896 46.010 45.100 0.025 0.000 0.793 97 G HN 0.631 nan 8.290 nan 0.000 0.539 98 S N -1.923 113.874 115.700 0.161 0.000 2.694 98 S HA 0.348 4.818 4.470 -0.000 0.000 0.273 98 S C 0.284 174.992 174.600 0.179 0.000 1.180 98 S CA 0.471 58.794 58.200 0.206 0.000 0.864 98 S CB 0.725 64.109 63.200 0.307 0.000 1.198 98 S HN 0.512 nan 8.310 nan 0.000 0.499 99 S N 0.258 116.075 115.700 0.195 0.000 2.622 99 S HA 0.150 4.620 4.470 -0.000 0.000 0.236 99 S C 1.194 175.835 174.600 0.069 0.000 0.956 99 S CA 0.102 58.353 58.200 0.084 0.000 0.971 99 S CB -1.343 61.943 63.200 0.144 0.000 0.782 99 S HN 1.012 nan 8.310 nan 0.000 0.468 100 Y N 0.389 120.717 120.300 0.047 0.000 2.556 100 Y HA 0.146 4.696 4.550 -0.000 0.000 0.290 100 Y C 1.367 177.283 175.900 0.025 0.000 1.149 100 Y CA 0.159 58.284 58.100 0.042 0.000 1.329 100 Y CB -0.668 37.815 38.460 0.039 0.000 0.975 100 Y HN 0.321 nan 8.280 nan 0.000 0.561 101 L N 0.381 121.270 121.223 -0.556 0.000 2.492 101 L HA 0.185 4.525 4.340 -0.000 0.000 0.223 101 L C 1.828 178.620 176.870 -0.129 0.000 1.132 101 L CA 0.940 55.531 54.840 -0.415 0.000 0.850 101 L CB -0.532 41.155 42.059 -0.619 0.000 0.966 101 L HN 0.648 nan 8.230 nan 0.000 0.454 102 G N 0.764 109.522 108.800 -0.069 0.000 2.141 102 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 102 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 102 G C 0.256 175.171 174.900 0.025 0.000 0.982 102 G CA -0.292 44.816 45.100 0.015 0.000 0.662 102 G HN 0.264 nan 8.290 nan 0.000 0.527 103 I N 3.003 123.560 120.570 -0.021 0.000 2.556 103 I HA 0.190 4.360 4.170 -0.000 0.000 0.284 103 I C -0.767 175.365 176.117 0.025 0.000 1.114 103 I CA -1.561 59.737 61.300 -0.004 0.000 1.418 103 I CB 0.622 38.578 38.000 -0.074 0.000 1.394 103 I HN 0.030 nan 8.210 nan 0.000 0.552 104 P HA -0.101 nan 4.420 nan 0.000 0.262 104 P C -0.420 176.940 177.300 0.101 0.000 1.182 104 P CA -0.075 63.074 63.100 0.082 0.000 0.761 104 P CB 0.316 32.053 31.700 0.061 0.000 0.795 105 F N 3.743 123.699 119.950 0.011 0.000 2.580 105 F HA -0.028 4.499 4.527 -0.000 0.000 0.398 105 F C 0.559 176.362 175.800 0.006 0.000 1.023 105 F CA 0.902 58.912 58.000 0.017 0.000 1.188 105 F CB -0.091 38.935 39.000 0.043 0.000 1.005 105 F HN 0.398 nan 8.300 nan 0.000 0.546 106 N N 7.356 125.766 118.700 -0.484 0.000 2.664 106 N HA 0.287 5.027 4.740 -0.000 0.000 0.268 106 N C -2.861 172.381 175.510 -0.448 0.000 1.222 106 N CA -1.573 51.281 53.050 -0.326 0.000 0.805 106 N CB 1.325 39.713 38.487 -0.166 0.000 1.399 106 N HN 0.149 nan 8.380 nan 0.000 0.547 107 P HA 0.071 nan 4.420 nan 0.000 0.235 107 P C -0.698 176.501 177.300 -0.168 0.000 1.720 107 P CA 0.220 63.160 63.100 -0.267 0.000 1.003 107 P CB -0.484 31.153 31.700 -0.104 0.000 1.968 108 S N -1.121 114.471 115.700 -0.180 0.000 3.549 108 S HA -0.231 4.239 4.470 -0.000 0.000 0.366 108 S C 1.354 175.842 174.600 -0.187 0.000 1.012 108 S CA 1.594 59.685 58.200 -0.181 0.000 1.141 108 S CB -1.600 61.487 63.200 -0.188 0.000 0.910 108 S HN 0.751 nan 8.310 nan 0.000 0.471 109 K N 0.186 120.498 120.400 -0.146 0.000 2.139 109 K HA 0.470 4.790 4.320 -0.000 0.000 0.217 109 K C 0.815 177.357 176.600 -0.096 0.000 1.025 109 K CA 1.151 57.370 56.287 -0.112 0.000 0.947 109 K CB -1.344 31.111 32.500 -0.075 0.000 0.897 109 K HN 0.931 nan 8.250 nan 0.000 0.457 110 N N 2.285 120.938 118.700 -0.079 0.000 2.317 110 N HA 0.397 5.137 4.740 -0.000 0.000 0.245 110 N C -1.532 173.931 175.510 -0.079 0.000 1.294 110 N CA -0.656 52.353 53.050 -0.067 0.000 0.924 110 N CB -0.480 37.977 38.487 -0.050 0.000 1.186 110 N HN 0.553 nan 8.380 nan 0.000 0.495 111 P HA 0.245 nan 4.420 nan 0.000 0.296 111 P C 0.290 177.543 177.300 -0.078 0.000 1.295 111 P CA 0.003 63.058 63.100 -0.074 0.000 0.754 111 P CB -0.300 31.363 31.700 -0.060 0.000 1.311 112 G N -0.642 108.112 108.800 -0.078 0.000 2.372 112 G HA2 0.450 4.410 3.960 -0.000 0.000 0.283 112 G HA3 0.450 4.410 3.960 -0.000 0.000 0.283 112 G C -0.166 174.700 174.900 -0.056 0.000 1.177 112 G CA -0.333 44.720 45.100 -0.078 0.000 0.842 112 G HN 0.558 nan 8.290 nan 0.000 0.503 113 T N -0.003 114.522 114.554 -0.048 0.000 2.747 113 T HA 0.582 4.932 4.350 -0.000 0.000 0.301 113 T C 0.689 175.388 174.700 -0.003 0.000 0.952 113 T CA -0.153 61.933 62.100 -0.024 0.000 0.983 113 T CB 1.042 69.903 68.868 -0.012 0.000 0.930 113 T HN 0.992 nan 8.240 nan 0.000 0.494 114 A N 3.620 126.434 122.820 -0.010 0.000 2.584 114 A HA 0.256 4.576 4.320 -0.000 0.000 0.239 114 A C 0.331 177.940 177.584 0.043 0.000 1.043 114 A CA 0.188 52.224 52.037 -0.002 0.000 0.756 114 A CB -0.257 18.726 19.000 -0.028 0.000 0.963 114 A HN 1.032 nan 8.150 nan 0.000 0.511 115 H N 3.270 122.302 119.070 -0.063 0.000 3.042 115 H HA 0.327 4.883 4.556 -0.000 0.000 0.345 115 H C -2.413 172.865 175.328 -0.084 0.000 1.052 115 H CA -1.481 54.537 56.048 -0.050 0.000 1.311 115 H CB 1.928 31.667 29.762 -0.038 0.000 1.810 115 H HN 0.353 nan 8.280 nan 0.000 0.505 116 P HA -0.132 nan 4.420 nan 0.000 0.217 116 P C 0.011 177.078 177.300 -0.389 0.000 1.148 116 P CA 1.555 64.511 63.100 -0.239 0.000 0.834 116 P CB 0.097 31.609 31.700 -0.314 0.000 0.783 117 Y N -2.729 117.793 120.300 0.369 0.000 2.707 117 Y HA 0.268 4.818 4.550 -0.000 0.000 0.249 117 Y C 0.202 176.082 175.900 -0.034 0.000 1.166 117 Y CA -0.975 57.212 58.100 0.144 0.000 1.184 117 Y CB 0.015 38.561 38.460 0.144 0.000 1.240 117 Y HN -0.161 nan 8.280 nan 0.000 0.547 118 D N 1.521 121.910 120.400 -0.018 0.000 2.280 118 D HA 0.443 5.083 4.640 -0.000 0.000 0.243 118 D C -0.166 176.085 176.300 -0.082 0.000 1.129 118 D CA 0.180 54.071 54.000 -0.183 0.000 0.848 118 D CB 0.779 41.404 40.800 -0.291 0.000 1.107 118 D HN 0.165 nan 8.370 nan 0.000 0.471 119 S N 1.629 117.291 115.700 -0.064 0.000 2.615 119 S HA 0.780 5.250 4.470 -0.000 0.000 0.269 119 S C 0.144 174.731 174.600 -0.021 0.000 1.161 119 S CA -0.791 57.384 58.200 -0.041 0.000 0.817 119 S CB 0.945 64.137 63.200 -0.013 0.000 1.131 119 S HN 0.441 nan 8.310 nan 0.000 0.467 120 G N -0.051 108.738 108.800 -0.019 0.000 2.580 120 G HA2 0.516 4.476 3.960 -0.000 0.000 0.278 120 G HA3 0.516 4.476 3.960 -0.000 0.000 0.278 120 G C -0.885 174.056 174.900 0.068 0.000 1.212 120 G CA -0.320 44.795 45.100 0.024 0.000 0.939 120 G HN 0.878 nan 8.290 nan 0.000 0.513 121 H N 0.403 119.469 119.070 -0.007 0.000 2.744 121 H HA 0.232 4.788 4.556 -0.000 0.000 0.339 121 H C 1.033 176.322 175.328 -0.065 0.000 1.004 121 H CA -0.707 55.312 56.048 -0.047 0.000 1.257 121 H CB 1.843 31.596 29.762 -0.016 0.000 1.552 121 H HN 0.380 nan 8.280 nan 0.000 0.522 122 I N 4.022 124.456 120.570 -0.228 0.000 2.185 122 I HA -0.344 3.826 4.170 -0.000 0.000 0.246 122 I C 1.957 178.124 176.117 0.083 0.000 1.088 122 I CA 1.995 63.219 61.300 -0.127 0.000 1.347 122 I CB -0.080 37.735 38.000 -0.309 0.000 1.041 122 I HN 0.714 nan 8.210 nan 0.000 0.415 123 A N -0.135 122.859 122.820 0.290 0.000 2.066 123 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 123 A C 2.114 179.794 177.584 0.160 0.000 1.157 123 A CA 1.222 53.463 52.037 0.339 0.000 0.670 123 A CB -0.298 18.963 19.000 0.435 0.000 0.804 123 A HN 0.441 nan 8.150 nan 0.000 0.453 124 M N -0.934 118.754 119.600 0.146 0.000 2.287 124 M HA -0.008 4.472 4.480 -0.000 0.000 0.266 124 M C 2.046 178.303 176.300 -0.073 0.000 1.079 124 M CA 1.571 56.861 55.300 -0.016 0.000 1.146 124 M CB -1.944 30.672 32.600 0.027 0.000 1.374 124 M HN 0.325 nan 8.290 nan 0.000 0.435 125 T N 0.507 115.085 114.554 0.041 0.000 2.746 125 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 125 T C 1.696 176.302 174.700 -0.156 0.000 1.039 125 T CA 1.499 63.608 62.100 0.014 0.000 1.142 125 T CB -0.464 68.471 68.868 0.112 0.000 0.866 125 T HN 0.355 nan 8.240 nan 0.000 0.444 126 Y N 2.954 123.136 120.300 -0.196 0.000 2.089 126 Y HA -0.201 4.349 4.550 -0.000 0.000 0.282 126 Y C 2.722 178.411 175.900 -0.352 0.000 1.139 126 Y CA 1.933 59.882 58.100 -0.252 0.000 1.123 126 Y CB -1.250 37.085 38.460 -0.208 0.000 0.980 126 Y HN 0.296 nan 8.280 nan 0.000 0.493 127 T N -1.961 112.052 114.554 -0.902 0.000 2.833 127 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 127 T C 2.213 176.526 174.700 -0.645 0.000 1.054 127 T CA 1.127 62.592 62.100 -1.060 0.000 1.135 127 T CB -1.390 66.995 68.868 -0.806 0.000 0.869 127 T HN 0.444 nan 8.240 nan 0.000 0.466 128 G N 1.993 110.427 108.800 -0.610 0.000 2.453 128 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.215 128 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.215 128 G C 1.504 175.957 174.900 -0.746 0.000 1.201 128 G CA 0.781 45.419 45.100 -0.770 0.000 0.784 128 G HN 0.506 nan 8.290 nan 0.000 0.545 129 L N 0.580 121.375 121.223 -0.713 0.000 2.042 129 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 129 L C 3.115 179.818 176.870 -0.279 0.000 1.076 129 L CA 1.410 55.996 54.840 -0.424 0.000 0.749 129 L CB -0.518 41.396 42.059 -0.243 0.000 0.893 129 L HN 0.358 nan 8.230 nan 0.000 0.432 130 S N -0.943 114.564 115.700 -0.321 0.000 2.370 130 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 130 S C 2.172 176.701 174.600 -0.118 0.000 1.033 130 S CA 1.625 59.697 58.200 -0.213 0.000 1.011 130 S CB -0.312 62.634 63.200 -0.423 0.000 0.852 130 S HN 0.507 nan 8.310 nan 0.000 0.457 131 C N 1.010 120.212 119.300 -0.162 0.000 2.446 131 C HA 0.072 4.532 4.460 -0.000 0.000 0.277 131 C C 2.529 177.449 174.990 -0.117 0.000 1.275 131 C CA 0.580 59.537 59.018 -0.102 0.000 1.727 131 C CB -1.562 26.111 27.740 -0.112 0.000 2.010 131 C HN 0.589 nan 8.230 nan 0.000 0.486 132 L N 0.398 121.513 121.223 -0.181 0.000 2.042 132 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 132 L C 2.374 179.209 176.870 -0.059 0.000 1.076 132 L CA 1.660 56.415 54.840 -0.142 0.000 0.749 132 L CB -0.539 41.393 42.059 -0.212 0.000 0.893 132 L HN 0.367 nan 8.230 nan 0.000 0.432 133 I N -0.329 120.207 120.570 -0.058 0.000 2.226 133 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 133 I C 2.409 178.507 176.117 -0.032 0.000 1.100 133 I CA 1.401 62.682 61.300 -0.032 0.000 1.374 133 I CB -0.225 37.751 38.000 -0.039 0.000 1.057 133 I HN 0.187 nan 8.210 nan 0.000 0.413 134 I N 0.569 121.115 120.570 -0.039 0.000 2.226 134 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 134 I C 2.201 178.296 176.117 -0.037 0.000 1.100 134 I CA 1.489 62.764 61.300 -0.042 0.000 1.374 134 I CB -0.269 37.690 38.000 -0.068 0.000 1.057 134 I HN 0.220 nan 8.210 nan 0.000 0.413 135 L N 0.384 121.588 121.223 -0.032 0.000 2.552 135 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 135 L C 1.627 178.501 176.870 0.006 0.000 1.146 135 L CA 0.756 55.588 54.840 -0.013 0.000 0.858 135 L CB -0.450 41.607 42.059 -0.004 0.000 0.969 135 L HN 0.554 nan 8.230 nan 0.000 0.451 136 G N -0.075 108.728 108.800 0.006 0.000 2.176 136 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.232 136 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.232 136 G C 0.076 175.002 174.900 0.044 0.000 0.986 136 G CA 0.195 45.306 45.100 0.018 0.000 0.643 136 G HN 0.431 nan 8.290 nan 0.000 0.522 137 D N 0.471 120.908 120.400 0.061 0.000 2.368 137 D HA 0.427 5.067 4.640 -0.000 0.000 0.240 137 D C 1.361 177.737 176.300 0.127 0.000 1.169 137 D CA 0.500 54.568 54.000 0.114 0.000 0.906 137 D CB 0.529 41.421 40.800 0.154 0.000 1.187 137 D HN 0.284 nan 8.370 nan 0.000 0.435 138 D N 1.440 121.942 120.400 0.170 0.000 2.363 138 D HA 0.056 4.696 4.640 -0.000 0.000 0.214 138 D C 0.580 177.076 176.300 0.327 0.000 1.093 138 D CA -0.248 53.885 54.000 0.222 0.000 0.837 138 D CB -0.009 40.914 40.800 0.205 0.000 0.948 138 D HN 0.298 nan 8.370 nan 0.000 0.507 139 L N 0.308 121.705 121.223 0.290 0.000 4.429 139 L HA -0.288 4.052 4.340 -0.000 0.000 0.422 139 L C 1.714 178.684 176.870 0.166 0.000 1.149 139 L CA 1.025 56.040 54.840 0.292 0.000 0.972 139 L CB -2.963 39.297 42.059 0.335 0.000 2.059 139 L HN 0.355 nan 8.230 nan 0.000 0.870 140 S N -1.496 114.274 115.700 0.118 0.000 2.423 140 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 140 S C 1.676 176.240 174.600 -0.060 0.000 1.014 140 S CA 1.107 59.302 58.200 -0.008 0.000 0.965 140 S CB -0.187 63.012 63.200 -0.002 0.000 0.785 140 S HN 0.644 nan 8.310 nan 0.000 0.495 141 R N 0.718 121.169 120.500 -0.081 0.000 2.310 141 R HA 0.303 4.643 4.340 -0.000 0.000 0.202 141 R C -0.542 175.741 176.300 -0.029 0.000 0.933 141 R CA -0.056 55.894 56.100 -0.249 0.000 1.054 141 R CB 0.126 29.925 30.300 -0.835 0.000 0.985 141 R HN 0.255 nan 8.270 nan 0.000 0.489 142 V N 1.890 121.890 119.914 0.144 0.000 2.461 142 V HA 0.008 4.128 4.120 -0.000 0.000 0.275 142 V C 0.219 176.322 176.094 0.015 0.000 1.047 142 V CA -0.580 61.832 62.300 0.186 0.000 0.955 142 V CB 1.390 33.351 31.823 0.231 0.000 0.988 142 V HN 0.096 nan 8.190 nan 0.000 0.471 143 D N 4.967 125.356 120.400 -0.019 0.000 2.508 143 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 143 D C 1.272 177.538 176.300 -0.056 0.000 1.171 143 D CA -0.026 53.934 54.000 -0.065 0.000 1.006 143 D CB 0.475 41.225 40.800 -0.084 0.000 1.073 143 D HN 0.512 nan 8.370 nan 0.000 0.513 144 K N 1.450 121.803 120.400 -0.078 0.000 2.059 144 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 144 K C 1.471 178.029 176.600 -0.070 0.000 1.050 144 K CA 1.008 57.246 56.287 -0.083 0.000 0.927 144 K CB 0.251 32.654 32.500 -0.161 0.000 0.714 144 K HN 0.352 nan 8.250 nan 0.000 0.447 145 E N 0.383 120.537 120.200 -0.077 0.000 2.150 145 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 145 E C 2.012 178.582 176.600 -0.049 0.000 0.985 145 E CA 1.054 57.418 56.400 -0.060 0.000 0.814 145 E CB -0.158 29.505 29.700 -0.061 0.000 0.752 145 E HN 0.340 nan 8.360 nan 0.000 0.466 146 A N 0.775 123.562 122.820 -0.054 0.000 1.873 146 A HA -0.163 4.156 4.320 -0.000 0.000 0.215 146 A C 2.627 180.187 177.584 -0.041 0.000 1.186 146 A CA 1.313 53.318 52.037 -0.054 0.000 0.616 146 A CB -0.882 18.075 19.000 -0.071 0.000 0.823 146 A HN 0.339 nan 8.150 nan 0.000 0.442 147 C N -0.570 118.712 119.300 -0.030 0.000 2.429 147 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 147 C C 2.635 177.618 174.990 -0.011 0.000 1.262 147 C CA 1.044 60.059 59.018 -0.005 0.000 1.733 147 C CB -1.549 26.213 27.740 0.037 0.000 2.010 147 C HN 0.617 nan 8.230 nan 0.000 0.483 148 L N 1.026 122.236 121.223 -0.022 0.000 2.141 148 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 148 L C 2.861 179.730 176.870 -0.002 0.000 1.094 148 L CA 1.464 56.292 54.840 -0.019 0.000 0.763 148 L CB -0.762 41.279 42.059 -0.030 0.000 0.908 148 L HN 0.338 nan 8.230 nan 0.000 0.437 149 A N 0.424 123.237 122.820 -0.012 0.000 1.898 149 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 149 A C 2.423 180.005 177.584 -0.004 0.000 1.181 149 A CA 1.625 53.657 52.037 -0.010 0.000 0.620 149 A CB -1.172 17.815 19.000 -0.022 0.000 0.819 149 A HN 0.419 nan 8.150 nan 0.000 0.442 150 G N -0.400 108.394 108.800 -0.010 0.000 2.418 150 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 150 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 150 G C 1.586 176.497 174.900 0.017 0.000 1.158 150 G CA 0.914 46.010 45.100 -0.008 0.000 0.771 150 G HN 0.404 nan 8.290 nan 0.000 0.545 151 L N -0.167 121.075 121.223 0.031 0.000 1.994 151 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 151 L C 3.237 180.211 176.870 0.173 0.000 1.071 151 L CA 1.276 56.167 54.840 0.084 0.000 0.745 151 L CB -0.272 41.811 42.059 0.041 0.000 0.892 151 L HN 0.200 nan 8.230 nan 0.000 0.431 152 R N -0.542 120.025 120.500 0.112 0.000 2.103 152 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 152 R C 2.183 178.499 176.300 0.027 0.000 1.142 152 R CA 1.458 57.609 56.100 0.084 0.000 0.960 152 R CB -0.486 29.838 30.300 0.042 0.000 0.858 152 R HN 0.448 nan 8.270 nan 0.000 0.439 153 A N 0.801 123.632 122.820 0.018 0.000 2.070 153 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 153 A C 2.019 179.590 177.584 -0.021 0.000 1.159 153 A CA 1.041 53.071 52.037 -0.012 0.000 0.656 153 A CB -0.316 18.676 19.000 -0.013 0.000 0.800 153 A HN 0.204 nan 8.150 nan 0.000 0.453 154 L N -0.951 120.288 121.223 0.026 0.000 2.418 154 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 154 L C 1.427 178.234 176.870 -0.105 0.000 1.125 154 L CA 0.068 54.929 54.840 0.035 0.000 0.835 154 L CB -0.249 41.906 42.059 0.160 0.000 0.953 154 L HN 0.500 nan 8.230 nan 0.000 0.454 155 Q N 1.440 121.034 119.800 -0.343 0.000 2.304 155 Q HA 0.305 4.645 4.340 -0.000 0.000 0.260 155 Q C -0.522 175.226 176.000 -0.419 0.000 0.965 155 Q CA -0.126 55.182 55.803 -0.825 0.000 0.898 155 Q CB 0.888 29.028 28.738 -0.997 0.000 1.196 155 Q HN 0.243 nan 8.270 nan 0.000 0.402 156 L N 2.544 123.536 121.223 -0.385 0.000 2.448 156 L HA 0.295 4.635 4.340 -0.000 0.000 0.258 156 L C 1.833 178.600 176.870 -0.172 0.000 1.104 156 L CA 0.081 54.796 54.840 -0.208 0.000 0.800 156 L CB 0.319 42.288 42.059 -0.150 0.000 1.241 156 L HN 0.890 nan 8.230 nan 0.000 0.472 157 E N 0.785 120.927 120.200 -0.096 0.000 2.118 157 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 157 E C 1.306 177.882 176.600 -0.040 0.000 0.992 157 E CA 1.656 58.020 56.400 -0.061 0.000 0.804 157 E CB -0.895 28.786 29.700 -0.032 0.000 0.741 157 E HN 0.890 nan 8.360 nan 0.000 0.458 158 D N -2.047 118.341 120.400 -0.020 0.000 2.378 158 D HA 0.228 4.868 4.640 -0.000 0.000 0.227 158 D C 1.508 177.848 176.300 0.068 0.000 1.012 158 D CA 1.221 55.257 54.000 0.060 0.000 0.905 158 D CB -0.020 40.869 40.800 0.148 0.000 0.895 158 D HN 0.880 nan 8.370 nan 0.000 0.532 159 G N -0.326 108.425 108.800 -0.082 0.000 2.234 159 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 159 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 159 G C 0.547 175.268 174.900 -0.298 0.000 0.997 159 G CA 0.418 45.448 45.100 -0.116 0.000 0.623 159 G HN 0.841 nan 8.290 nan 0.000 0.514 160 S N -0.208 115.171 115.700 -0.536 0.000 2.652 160 S HA 0.821 5.291 4.470 -0.000 0.000 0.267 160 S C -0.167 174.206 174.600 -0.378 0.000 1.201 160 S CA -0.347 57.466 58.200 -0.644 0.000 0.996 160 S CB 1.272 63.734 63.200 -1.229 0.000 1.054 160 S HN 0.553 nan 8.310 nan 0.000 0.561 161 F N -1.265 118.599 119.950 -0.143 0.000 2.593 161 F HA 0.594 5.121 4.527 -0.000 0.000 0.320 161 F C 0.371 176.224 175.800 0.090 0.000 1.060 161 F CA -1.023 56.967 58.000 -0.016 0.000 0.940 161 F CB 1.483 40.495 39.000 0.022 0.000 1.268 161 F HN 0.666 nan 8.300 nan 0.000 0.475 162 C N 0.524 119.929 119.300 0.174 0.000 2.345 162 C HA 0.691 5.151 4.460 -0.000 0.000 0.370 162 C C 1.481 176.287 174.990 -0.306 0.000 1.209 162 C CA -0.033 59.010 59.018 0.041 0.000 2.133 162 C CB 1.349 29.079 27.740 -0.017 0.000 2.293 162 C HN 0.976 nan 8.230 nan 0.000 0.544 163 A N 0.472 122.898 122.820 -0.657 0.000 1.997 163 A HA 0.371 4.691 4.320 -0.000 0.000 0.212 163 A C 0.571 177.742 177.584 -0.688 0.000 1.178 163 A CA 1.160 52.514 52.037 -1.138 0.000 0.698 163 A CB -0.169 17.896 19.000 -1.559 0.000 0.842 163 A HN 1.243 nan 8.150 nan 0.000 0.458 164 V N -4.911 114.783 119.914 -0.365 0.000 2.925 164 V HA 0.495 4.615 4.120 -0.000 0.000 0.311 164 V C -2.391 173.651 176.094 -0.087 0.000 1.104 164 V CA -1.695 60.496 62.300 -0.181 0.000 0.954 164 V CB 1.804 33.577 31.823 -0.084 0.000 1.022 164 V HN 0.059 nan 8.190 nan 0.000 0.427 165 P HA -0.118 nan 4.420 nan 0.000 0.219 165 P C 0.894 178.188 177.300 -0.009 0.000 1.146 165 P CA 1.386 64.469 63.100 -0.030 0.000 0.808 165 P CB 0.391 32.075 31.700 -0.026 0.000 0.779 166 E N -0.193 120.015 120.200 0.012 0.000 2.409 166 E HA 0.224 4.574 4.350 -0.000 0.000 0.198 166 E C 1.170 177.791 176.600 0.034 0.000 1.024 166 E CA 0.834 57.259 56.400 0.041 0.000 0.861 166 E CB -0.684 29.070 29.700 0.090 0.000 0.788 166 E HN 0.357 nan 8.360 nan 0.000 0.521 167 G N -0.427 108.382 108.800 0.014 0.000 2.674 167 G HA2 0.220 4.180 3.960 -0.000 0.000 0.686 167 G HA3 0.220 4.180 3.960 -0.000 0.000 0.686 167 G C -0.242 174.675 174.900 0.028 0.000 1.195 167 G CA -0.463 44.648 45.100 0.018 0.000 0.776 167 G HN 0.648 nan 8.290 nan 0.000 0.654 168 S N -0.516 115.208 115.700 0.040 0.000 2.671 168 S HA 0.733 5.203 4.470 -0.000 0.000 0.270 168 S C -0.449 174.220 174.600 0.114 0.000 1.166 168 S CA 0.098 58.343 58.200 0.076 0.000 0.868 168 S CB 1.314 64.549 63.200 0.059 0.000 1.190 168 S HN 2.087 nan 8.310 nan 0.000 0.494 169 E N 1.502 121.803 120.200 0.169 0.000 2.392 169 E HA 0.291 4.641 4.350 -0.000 0.000 0.259 169 E C -0.830 175.921 176.600 0.252 0.000 1.108 169 E CA -0.381 56.122 56.400 0.171 0.000 0.916 169 E CB 0.050 29.842 29.700 0.153 0.000 0.989 169 E HN 0.740 nan 8.360 nan 0.000 0.432 170 N N 0.875 119.677 118.700 0.170 0.000 2.295 170 N HA 0.382 5.122 4.740 -0.000 0.000 0.293 170 N C -1.395 174.158 175.510 0.072 0.000 1.040 170 N CA -0.546 52.614 53.050 0.183 0.000 0.840 170 N CB 2.053 40.593 38.487 0.089 0.000 1.468 170 N HN 0.628 nan 8.380 nan 0.000 0.478 171 D N -0.113 120.287 120.400 0.000 0.000 2.792 171 D HA 0.136 4.776 4.640 -0.000 0.000 0.335 171 D C 0.679 176.966 176.300 -0.021 0.000 1.353 171 D CA -0.685 53.311 54.000 -0.007 0.000 0.839 171 D CB 0.519 41.275 40.800 -0.073 0.000 1.396 171 D HN 0.191 nan 8.370 nan 0.000 0.479 172 M N 0.095 119.759 119.600 0.107 0.000 2.144 172 M HA -0.002 4.478 4.480 -0.000 0.000 0.260 172 M C 1.836 178.145 176.300 0.015 0.000 1.067 172 M CA 1.835 57.212 55.300 0.128 0.000 1.095 172 M CB -0.410 32.252 32.600 0.103 0.000 1.365 172 M HN 0.470 nan 8.290 nan 0.000 0.406 173 R N -1.312 119.093 120.500 -0.160 0.000 2.096 173 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 173 R C 2.080 178.397 176.300 0.027 0.000 1.139 173 R CA 2.102 58.103 56.100 -0.164 0.000 0.952 173 R CB -0.740 29.297 30.300 -0.440 0.000 0.854 173 R HN 0.439 nan 8.270 nan 0.000 0.436 174 F N -0.414 119.578 119.950 0.070 0.000 2.456 174 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 174 F C 2.239 177.963 175.800 -0.126 0.000 1.104 174 F CA -0.145 57.853 58.000 -0.002 0.000 1.435 174 F CB 0.021 39.045 39.000 0.040 0.000 1.078 174 F HN -0.165 nan 8.300 nan 0.000 0.546 175 V N -0.363 119.632 119.914 0.135 0.000 2.358 175 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 175 V C 2.041 178.118 176.094 -0.028 0.000 1.047 175 V CA 1.755 64.091 62.300 0.060 0.000 1.035 175 V CB -0.742 31.200 31.823 0.199 0.000 0.658 175 V HN 0.383 nan 8.190 nan 0.000 0.452 176 Y N 0.295 120.556 120.300 -0.064 0.000 2.181 176 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 176 Y C 2.536 178.298 175.900 -0.230 0.000 1.146 176 Y CA 1.655 59.693 58.100 -0.104 0.000 1.164 176 Y CB -0.724 37.710 38.460 -0.044 0.000 0.982 176 Y HN 0.242 nan 8.280 nan 0.000 0.515 177 C N 0.347 119.458 119.300 -0.315 0.000 2.432 177 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 177 C C 3.083 177.782 174.990 -0.485 0.000 1.249 177 C CA 1.265 59.987 59.018 -0.492 0.000 1.725 177 C CB -1.759 25.919 27.740 -0.103 0.000 2.028 177 C HN 0.738 nan 8.230 nan 0.000 0.477 178 A N 0.440 122.949 122.820 -0.519 0.000 1.883 178 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 178 A C 2.260 179.586 177.584 -0.430 0.000 1.186 178 A CA 2.418 54.076 52.037 -0.632 0.000 0.624 178 A CB -0.865 17.291 19.000 -1.407 0.000 0.822 178 A HN 0.568 nan 8.150 nan 0.000 0.444 179 S N -0.920 114.585 115.700 -0.325 0.000 2.368 179 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 179 S C 1.957 176.379 174.600 -0.297 0.000 1.030 179 S CA 1.458 59.579 58.200 -0.132 0.000 0.999 179 S CB -0.738 62.493 63.200 0.051 0.000 0.844 179 S HN 0.718 nan 8.310 nan 0.000 0.459 180 C N 1.281 120.297 119.300 -0.474 0.000 2.429 180 C HA 0.015 4.475 4.460 -0.000 0.000 0.277 180 C C 2.450 177.326 174.990 -0.190 0.000 1.262 180 C CA 0.249 59.037 59.018 -0.382 0.000 1.733 180 C CB -1.367 25.949 27.740 -0.706 0.000 2.010 180 C HN 0.546 nan 8.230 nan 0.000 0.483 181 I N 0.095 120.521 120.570 -0.240 0.000 2.142 181 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 181 I C 2.605 178.570 176.117 -0.252 0.000 1.078 181 I CA 1.545 62.746 61.300 -0.165 0.000 1.343 181 I CB -0.579 37.325 38.000 -0.160 0.000 1.046 181 I HN 0.361 nan 8.210 nan 0.000 0.405 182 C N -0.217 118.802 119.300 -0.469 0.000 2.413 182 C HA -0.243 4.217 4.460 -0.000 0.000 0.276 182 C C 2.801 177.269 174.990 -0.870 0.000 1.248 182 C CA 0.829 59.367 59.018 -0.800 0.000 1.742 182 C CB -1.089 25.841 27.740 -1.350 0.000 2.017 182 C HN 0.512 nan 8.230 nan 0.000 0.481 183 Y N 0.896 120.727 120.300 -0.782 0.000 2.163 183 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 183 Y C 2.500 178.373 175.900 -0.046 0.000 1.136 183 Y CA 1.770 59.689 58.100 -0.300 0.000 1.147 183 Y CB -0.369 38.064 38.460 -0.045 0.000 0.987 183 Y HN 0.237 nan 8.280 nan 0.000 0.509 184 M N -0.611 119.066 119.600 0.128 0.000 2.175 184 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 184 M C 1.684 178.153 176.300 0.281 0.000 1.063 184 M CA 1.436 56.852 55.300 0.194 0.000 1.119 184 M CB -0.252 32.426 32.600 0.130 0.000 1.377 184 M HN 0.246 nan 8.290 nan 0.000 0.415 185 L N -0.022 121.268 121.223 0.112 0.000 2.599 185 L HA 0.021 4.361 4.340 -0.000 0.000 0.230 185 L C 0.422 177.347 176.870 0.092 0.000 1.141 185 L CA -0.177 54.765 54.840 0.170 0.000 0.877 185 L CB -0.906 41.153 42.059 -0.001 0.000 1.009 185 L HN 0.438 nan 8.230 nan 0.000 0.447 186 N N 2.090 120.703 118.700 -0.145 0.000 2.707 186 N HA -0.271 4.469 4.740 -0.000 0.000 0.253 186 N C -0.459 174.930 175.510 -0.202 0.000 0.998 186 N CA 0.441 53.248 53.050 -0.406 0.000 0.751 186 N CB -0.837 37.126 38.487 -0.872 0.000 0.920 186 N HN 0.467 nan 8.380 nan 0.000 0.539 187 N N -0.058 118.484 118.700 -0.262 0.000 2.578 187 N HA 0.153 4.893 4.740 -0.000 0.000 0.282 187 N C -0.819 174.547 175.510 -0.240 0.000 1.119 187 N CA -0.529 52.442 53.050 -0.132 0.000 0.948 187 N CB 0.091 38.530 38.487 -0.080 0.000 1.546 187 N HN 0.271 nan 8.380 nan 0.000 0.525 188 W N 1.952 123.252 121.300 0.000 0.000 3.400 188 W HA 0.158 4.818 4.660 -0.000 0.000 0.347 188 W C 1.861 178.396 176.519 0.027 0.000 1.218 188 W CA -0.138 57.219 57.345 0.020 0.000 1.837 188 W CB 0.113 29.588 29.460 0.025 0.000 1.067 188 W HN 0.644 nan 8.180 nan 0.000 0.701 189 S N -1.273 114.507 115.700 0.133 0.000 2.555 189 S HA -0.007 4.462 4.470 -0.000 0.000 0.230 189 S C 1.951 176.601 174.600 0.083 0.000 0.978 189 S CA 0.859 59.118 58.200 0.099 0.000 0.934 189 S CB -0.438 62.794 63.200 0.052 0.000 0.766 189 S HN 0.270 nan 8.310 nan 0.000 0.533 190 G N 1.379 110.217 108.800 0.063 0.000 2.598 190 G HA2 0.296 4.256 3.960 -0.000 0.000 0.215 190 G HA3 0.296 4.256 3.960 -0.000 0.000 0.215 190 G C 0.373 175.373 174.900 0.167 0.000 1.131 190 G CA 0.589 45.726 45.100 0.062 0.000 0.785 190 G HN 0.751 nan 8.290 nan 0.000 0.539 191 M N -2.274 117.459 119.600 0.222 0.000 2.644 191 M HA 0.481 4.961 4.480 -0.000 0.000 0.273 191 M C -2.194 174.235 176.300 0.215 0.000 1.253 191 M CA -1.018 54.465 55.300 0.306 0.000 0.852 191 M CB 2.153 35.058 32.600 0.508 0.000 1.708 191 M HN -0.178 nan 8.290 nan 0.000 0.471 192 D N 2.226 122.714 120.400 0.148 0.000 2.494 192 D HA 0.248 4.888 4.640 -0.000 0.000 0.217 192 D C 0.681 177.047 176.300 0.109 0.000 1.153 192 D CA -0.160 53.892 54.000 0.087 0.000 0.954 192 D CB 0.857 41.670 40.800 0.021 0.000 1.034 192 D HN 0.846 nan 8.370 nan 0.000 0.518 193 M N 3.307 122.983 119.600 0.127 0.000 2.106 193 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 193 M C 1.883 178.208 176.300 0.043 0.000 1.068 193 M CA 1.573 56.931 55.300 0.096 0.000 1.100 193 M CB 0.132 32.744 32.600 0.020 0.000 1.351 193 M HN 0.251 nan 8.290 nan 0.000 0.404 194 K N 0.148 120.560 120.400 0.020 0.000 2.063 194 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 194 K C 1.768 178.378 176.600 0.016 0.000 1.048 194 K CA 1.685 57.973 56.287 0.001 0.000 0.928 194 K CB -0.012 32.485 32.500 -0.005 0.000 0.713 194 K HN 0.402 nan 8.250 nan 0.000 0.442 195 K N -0.153 120.264 120.400 0.027 0.000 2.103 195 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 195 K C 2.177 178.822 176.600 0.075 0.000 1.052 195 K CA 0.994 57.300 56.287 0.032 0.000 0.945 195 K CB -0.077 32.421 32.500 -0.003 0.000 0.722 195 K HN 0.170 nan 8.250 nan 0.000 0.443 196 A N 1.794 124.675 122.820 0.103 0.000 1.902 196 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 196 A C 2.131 179.812 177.584 0.162 0.000 1.181 196 A CA 1.243 53.388 52.037 0.180 0.000 0.623 196 A CB -0.603 18.554 19.000 0.262 0.000 0.818 196 A HN 0.160 nan 8.150 nan 0.000 0.443 197 I N -0.562 120.055 120.570 0.078 0.000 2.264 197 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 197 I C 2.842 178.958 176.117 -0.001 0.000 1.111 197 I CA 1.530 62.833 61.300 0.005 0.000 1.382 197 I CB -0.224 37.741 38.000 -0.058 0.000 1.060 197 I HN 0.437 nan 8.210 nan 0.000 0.418 198 S N 0.069 115.787 115.700 0.029 0.000 2.368 198 S HA -0.267 4.203 4.470 -0.000 0.000 0.225 198 S C 2.167 176.802 174.600 0.057 0.000 1.030 198 S CA 1.308 59.522 58.200 0.022 0.000 0.999 198 S CB -0.424 62.795 63.200 0.032 0.000 0.844 198 S HN 0.497 nan 8.310 nan 0.000 0.459 199 Y N 1.766 122.068 120.300 0.003 0.000 2.181 199 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 199 Y C 1.918 177.833 175.900 0.024 0.000 1.146 199 Y CA 1.806 59.917 58.100 0.019 0.000 1.164 199 Y CB -0.351 38.134 38.460 0.041 0.000 0.982 199 Y HN 0.299 nan 8.280 nan 0.000 0.515 200 I N -0.292 120.355 120.570 0.129 0.000 2.226 200 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 200 I C 2.561 178.689 176.117 0.018 0.000 1.100 200 I CA 1.394 62.734 61.300 0.067 0.000 1.374 200 I CB -0.428 37.629 38.000 0.097 0.000 1.057 200 I HN 0.165 nan 8.210 nan 0.000 0.413 201 R N 0.675 121.161 120.500 -0.023 0.000 2.073 201 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 201 R C 2.341 178.641 176.300 -0.000 0.000 1.134 201 R CA 1.246 57.356 56.100 0.017 0.000 0.952 201 R CB -0.258 30.003 30.300 -0.065 0.000 0.850 201 R HN 0.329 nan 8.270 nan 0.000 0.433 202 R N 0.386 120.836 120.500 -0.084 0.000 2.293 202 R HA -0.055 4.285 4.340 -0.000 0.000 0.219 202 R C 2.038 178.227 176.300 -0.184 0.000 1.091 202 R CA 1.312 57.338 56.100 -0.122 0.000 1.004 202 R CB -0.038 30.177 30.300 -0.141 0.000 0.865 202 R HN 0.239 nan 8.270 nan 0.000 0.469 203 S N -0.312 115.252 115.700 -0.226 0.000 2.548 203 S HA 0.024 4.494 4.470 -0.000 0.000 0.215 203 S C 0.877 175.375 174.600 -0.171 0.000 0.976 203 S CA -0.342 57.713 58.200 -0.242 0.000 0.908 203 S CB 0.033 63.058 63.200 -0.291 0.000 0.781 203 S HN 0.183 nan 8.310 nan 0.000 0.519 204 M N 3.198 122.728 119.600 -0.117 0.000 2.246 204 M HA 0.232 4.712 4.480 -0.000 0.000 0.350 204 M C 0.352 176.553 176.300 -0.165 0.000 1.406 204 M CA 0.008 55.215 55.300 -0.155 0.000 1.089 204 M CB 0.724 33.271 32.600 -0.088 0.000 1.782 204 M HN 0.334 nan 8.290 nan 0.000 0.457 205 S N 3.642 119.186 115.700 -0.260 0.000 2.655 205 S HA 0.182 4.652 4.470 -0.000 0.000 0.265 205 S C 0.739 175.197 174.600 -0.237 0.000 1.240 205 S CA -0.419 57.624 58.200 -0.262 0.000 0.986 205 S CB 0.496 63.440 63.200 -0.428 0.000 0.985 205 S HN 0.746 nan 8.310 nan 0.000 0.562 206 Y N 0.692 120.952 120.300 -0.066 0.000 2.421 206 Y HA 0.079 4.629 4.550 -0.000 0.000 0.292 206 Y C 1.477 177.364 175.900 -0.022 0.000 1.136 206 Y CA 1.232 59.310 58.100 -0.037 0.000 1.255 206 Y CB -0.760 37.689 38.460 -0.018 0.000 0.991 206 Y HN 0.639 nan 8.280 nan 0.000 0.552 207 D N -1.050 118.900 120.400 -0.749 0.000 2.328 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.226 207 D C 0.209 176.410 176.300 -0.164 0.000 1.066 207 D CA 0.452 54.250 54.000 -0.337 0.000 0.861 207 D CB -0.636 39.960 40.800 -0.339 0.000 0.912 207 D HN 0.440 nan 8.370 nan 0.000 0.521 208 N N -1.138 117.394 118.700 -0.280 0.000 2.984 208 N HA -0.098 4.642 4.740 -0.000 0.000 0.227 208 N C 0.691 175.887 175.510 -0.523 0.000 0.903 208 N CA 1.194 54.077 53.050 -0.279 0.000 0.995 208 N CB -1.545 36.883 38.487 -0.099 0.000 1.065 208 N HN 0.493 nan 8.380 nan 0.000 0.585 209 G N -0.045 108.137 108.800 -1.029 0.000 2.557 209 G HA2 0.608 4.568 3.960 -0.000 0.000 0.292 209 G HA3 0.608 4.568 3.960 -0.000 0.000 0.292 209 G C -0.291 174.088 174.900 -0.869 0.000 1.237 209 G CA -0.349 43.819 45.100 -1.554 0.000 0.978 209 G HN 0.029 nan 8.290 nan 0.000 0.498 210 L N 0.163 120.954 121.223 -0.720 0.000 2.317 210 L HA 0.710 5.050 4.340 -0.000 0.000 0.281 210 L C 0.758 177.433 176.870 -0.325 0.000 1.024 210 L CA -0.644 53.960 54.840 -0.394 0.000 0.810 210 L CB 1.241 43.156 42.059 -0.240 0.000 1.240 210 L HN 0.718 nan 8.230 nan 0.000 0.427 211 A N 1.893 124.576 122.820 -0.228 0.000 2.284 211 A HA 0.532 4.852 4.320 -0.000 0.000 0.317 211 A C 0.736 178.260 177.584 -0.100 0.000 1.120 211 A CA -0.325 51.622 52.037 -0.150 0.000 0.900 211 A CB 0.640 19.560 19.000 -0.134 0.000 1.319 211 A HN 0.678 nan 8.150 nan 0.000 0.494 212 Q N -0.641 119.118 119.800 -0.069 0.000 2.224 212 Q HA 0.099 4.439 4.340 -0.000 0.000 0.203 212 Q C 0.771 176.795 176.000 0.040 0.000 0.970 212 Q CA 1.424 57.210 55.803 -0.028 0.000 0.865 212 Q CB -0.097 28.611 28.738 -0.050 0.000 0.922 212 Q HN 0.912 nan 8.270 nan 0.000 0.445 213 G N -1.506 107.268 108.800 -0.044 0.000 2.559 213 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 213 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 213 G C -1.554 173.248 174.900 -0.164 0.000 1.424 213 G CA -0.387 44.643 45.100 -0.118 0.000 0.786 213 G HN 0.140 nan 8.290 nan 0.000 0.485 214 A N -0.810 121.884 122.820 -0.211 0.000 2.567 214 A HA 0.514 4.834 4.320 -0.000 0.000 0.240 214 A C 1.763 179.311 177.584 -0.060 0.000 1.053 214 A CA 1.799 53.754 52.037 -0.136 0.000 0.755 214 A CB -0.397 18.534 19.000 -0.115 0.000 0.978 214 A HN 2.840 nan 8.150 nan 0.000 0.507 215 G N 0.928 109.703 108.800 -0.040 0.000 2.304 215 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.252 215 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.252 215 G C 0.177 175.083 174.900 0.010 0.000 1.014 215 G CA 0.410 45.511 45.100 0.001 0.000 0.619 215 G HN 0.779 nan 8.290 nan 0.000 0.525 216 L N 1.274 122.487 121.223 -0.016 0.000 2.466 216 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 216 L C 1.058 177.917 176.870 -0.019 0.000 1.189 216 L CA -0.602 54.232 54.840 -0.009 0.000 0.813 216 L CB 0.609 42.656 42.059 -0.020 0.000 1.118 216 L HN 0.464 nan 8.230 nan 0.000 0.471 217 E N 0.360 120.562 120.200 0.003 0.000 2.376 217 E HA 0.101 4.450 4.350 -0.000 0.000 0.266 217 E C -0.336 176.242 176.600 -0.037 0.000 1.009 217 E CA -0.394 56.008 56.400 0.003 0.000 0.902 217 E CB 0.662 30.392 29.700 0.050 0.000 0.972 217 E HN 0.638 nan 8.360 nan 0.000 0.439 218 S N 4.463 120.085 115.700 -0.130 0.000 2.568 218 S HA 0.065 4.535 4.470 -0.000 0.000 0.282 218 S C -0.184 174.390 174.600 -0.043 0.000 1.338 218 S CA -0.467 57.576 58.200 -0.263 0.000 1.045 218 S CB 0.914 63.712 63.200 -0.669 0.000 0.873 218 S HN 0.650 nan 8.310 nan 0.000 0.516 219 H N 0.439 119.396 119.070 -0.187 0.000 2.930 219 H HA 0.376 4.932 4.556 -0.000 0.000 0.371 219 H C 1.176 176.547 175.328 0.070 0.000 1.169 219 H CA -0.043 56.012 56.048 0.012 0.000 1.157 219 H CB 1.710 31.446 29.762 -0.045 0.000 1.789 219 H HN 0.735 nan 8.280 nan 0.000 0.547 220 G N 1.614 110.364 108.800 -0.083 0.000 2.442 220 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 220 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 220 G C 1.463 176.481 174.900 0.196 0.000 1.141 220 G CA 0.843 46.023 45.100 0.132 0.000 0.763 220 G HN 0.652 nan 8.290 nan 0.000 0.554 221 G N 0.902 109.861 108.800 0.265 0.000 2.404 221 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 221 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 221 G C 2.203 177.035 174.900 -0.114 0.000 1.174 221 G CA 1.764 46.747 45.100 -0.194 0.000 0.780 221 G HN 0.620 nan 8.290 nan 0.000 0.537 222 S N 0.013 115.704 115.700 -0.014 0.000 2.428 222 S HA -0.065 4.404 4.470 -0.000 0.000 0.230 222 S C 2.207 176.782 174.600 -0.042 0.000 1.014 222 S CA 1.692 59.859 58.200 -0.055 0.000 0.957 222 S CB -0.515 62.646 63.200 -0.065 0.000 0.784 222 S HN 0.256 nan 8.310 nan 0.000 0.499 223 T N 2.068 116.602 114.554 -0.035 0.000 2.777 223 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 223 T C 1.263 175.967 174.700 0.006 0.000 1.040 223 T CA 1.327 63.388 62.100 -0.065 0.000 1.141 223 T CB -0.505 68.308 68.868 -0.092 0.000 0.868 223 T HN 0.495 nan 8.240 nan 0.000 0.444 224 F N 1.494 121.423 119.950 -0.035 0.000 2.102 224 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 224 F C 2.402 178.153 175.800 -0.082 0.000 1.105 224 F CA 0.694 58.676 58.000 -0.029 0.000 1.239 224 F CB -0.858 38.181 39.000 0.064 0.000 0.991 224 F HN 0.149 nan 8.300 nan 0.000 0.474 225 C N 0.986 120.154 119.300 -0.220 0.000 2.413 225 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 225 C C 3.098 178.010 174.990 -0.130 0.000 1.248 225 C CA 1.275 60.126 59.018 -0.279 0.000 1.742 225 C CB -1.975 25.729 27.740 -0.060 0.000 2.017 225 C HN 0.745 nan 8.230 nan 0.000 0.481 226 G N 0.598 109.360 108.800 -0.064 0.000 2.414 226 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 226 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 226 G C 1.377 176.281 174.900 0.008 0.000 1.188 226 G CA 0.714 45.827 45.100 0.020 0.000 0.783 226 G HN 0.358 nan 8.290 nan 0.000 0.537 227 I N 2.037 122.578 120.570 -0.047 0.000 2.226 227 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 227 I C 3.244 179.303 176.117 -0.095 0.000 1.100 227 I CA 1.231 62.515 61.300 -0.026 0.000 1.374 227 I CB -1.352 36.624 38.000 -0.040 0.000 1.057 227 I HN 0.259 nan 8.210 nan 0.000 0.413 228 A N 0.192 122.831 122.820 -0.303 0.000 1.930 228 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 228 A C 2.596 180.183 177.584 0.005 0.000 1.175 228 A CA 1.908 53.791 52.037 -0.257 0.000 0.627 228 A CB -0.682 17.870 19.000 -0.746 0.000 0.815 228 A HN 0.405 nan 8.150 nan 0.000 0.443 229 S N -0.040 115.697 115.700 0.061 0.000 2.356 229 S HA -0.112 4.358 4.470 -0.000 0.000 0.223 229 S C 1.834 176.486 174.600 0.086 0.000 1.032 229 S CA 1.508 59.785 58.200 0.130 0.000 1.005 229 S CB -0.472 62.815 63.200 0.143 0.000 0.867 229 S HN 0.526 nan 8.310 nan 0.000 0.449 230 L N 0.624 121.873 121.223 0.044 0.000 2.083 230 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 230 L C 2.584 179.460 176.870 0.009 0.000 1.083 230 L CA 0.881 55.725 54.840 0.007 0.000 0.752 230 L CB -0.752 41.313 42.059 0.011 0.000 0.899 230 L HN 0.428 nan 8.230 nan 0.000 0.433 231 C N -0.617 118.701 119.300 0.031 0.000 2.446 231 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 231 C C 2.652 177.682 174.990 0.066 0.000 1.275 231 C CA 0.118 59.162 59.018 0.043 0.000 1.727 231 C CB -0.702 27.064 27.740 0.044 0.000 2.010 231 C HN 0.392 nan 8.230 nan 0.000 0.486 232 L N 0.257 121.528 121.223 0.080 0.000 2.083 232 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 232 L C 2.339 179.372 176.870 0.272 0.000 1.083 232 L CA 1.827 56.751 54.840 0.140 0.000 0.752 232 L CB -0.748 41.406 42.059 0.158 0.000 0.899 232 L HN 0.368 nan 8.230 nan 0.000 0.433 233 M N -1.572 118.032 119.600 0.007 0.000 2.562 233 M HA 0.145 4.625 4.480 -0.000 0.000 0.257 233 M C 1.197 177.355 176.300 -0.238 0.000 1.099 233 M CA 0.775 55.824 55.300 -0.419 0.000 1.099 233 M CB -0.182 32.156 32.600 -0.437 0.000 1.427 233 M HN 0.359 nan 8.290 nan 0.000 0.489 234 G N 2.009 110.774 108.800 -0.059 0.000 2.272 234 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 234 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 234 G C 0.276 175.138 174.900 -0.063 0.000 1.067 234 G CA 0.254 45.339 45.100 -0.025 0.000 0.902 234 G HN 0.531 nan 8.290 nan 0.000 0.500 235 K N -0.733 119.624 120.400 -0.071 0.000 2.644 235 K HA 0.334 4.654 4.320 -0.000 0.000 0.198 235 K C 1.978 178.541 176.600 -0.063 0.000 1.113 235 K CA -0.510 55.728 56.287 -0.082 0.000 1.073 235 K CB 0.297 32.721 32.500 -0.128 0.000 0.811 235 K HN 0.326 nan 8.250 nan 0.000 0.508 236 L N 1.451 122.665 121.223 -0.014 0.000 1.970 236 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 236 L C 1.812 178.708 176.870 0.044 0.000 1.071 236 L CA 1.847 56.709 54.840 0.036 0.000 0.751 236 L CB 0.016 42.119 42.059 0.072 0.000 0.889 236 L HN 0.322 nan 8.230 nan 0.000 0.432 237 E N -0.269 119.954 120.200 0.038 0.000 2.118 237 E HA -0.317 4.033 4.350 -0.000 0.000 0.195 237 E C 1.875 178.483 176.600 0.012 0.000 0.992 237 E CA 1.578 58.002 56.400 0.040 0.000 0.804 237 E CB -0.264 29.453 29.700 0.030 0.000 0.741 237 E HN 0.615 nan 8.360 nan 0.000 0.458 238 E N 0.721 120.906 120.200 -0.026 0.000 2.152 238 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 238 E C 2.028 178.572 176.600 -0.093 0.000 0.983 238 E CA 0.763 57.132 56.400 -0.051 0.000 0.818 238 E CB 0.326 29.988 29.700 -0.063 0.000 0.758 238 E HN 0.027 nan 8.360 nan 0.000 0.467 239 V N 0.292 120.107 119.914 -0.166 0.000 2.535 239 V HA 0.008 4.128 4.120 -0.000 0.000 0.246 239 V C 0.691 176.543 176.094 -0.404 0.000 1.045 239 V CA 0.952 63.045 62.300 -0.344 0.000 1.058 239 V CB -0.151 31.349 31.823 -0.538 0.000 0.689 239 V HN 0.108 nan 8.190 nan 0.000 0.461 240 F N 0.417 120.358 119.950 -0.014 0.000 2.469 240 F HA 0.479 5.006 4.527 -0.000 0.000 0.332 240 F C 0.852 176.648 175.800 -0.006 0.000 1.103 240 F CA -0.760 57.232 58.000 -0.013 0.000 0.979 240 F CB 1.586 40.577 39.000 -0.015 0.000 1.137 240 F HN -0.023 nan 8.300 nan 0.000 0.463 241 S N 1.007 116.832 115.700 0.209 0.000 2.608 241 S HA 0.069 4.538 4.470 -0.000 0.000 0.261 241 S C 1.114 175.773 174.600 0.098 0.000 1.314 241 S CA -0.439 57.828 58.200 0.112 0.000 0.992 241 S CB 1.225 64.474 63.200 0.081 0.000 0.935 241 S HN 0.876 nan 8.310 nan 0.000 0.564 242 E N 0.808 121.047 120.200 0.064 0.000 2.110 242 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 242 E C 1.935 178.557 176.600 0.037 0.000 0.988 242 E CA 1.383 57.813 56.400 0.050 0.000 0.804 242 E CB -0.189 29.534 29.700 0.038 0.000 0.745 242 E HN 0.765 nan 8.360 nan 0.000 0.458 243 K N 0.427 120.847 120.400 0.034 0.000 2.057 243 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 243 K C 2.008 178.612 176.600 0.007 0.000 1.049 243 K CA 1.668 57.967 56.287 0.020 0.000 0.931 243 K CB 0.061 32.574 32.500 0.021 0.000 0.714 243 K HN 0.128 nan 8.250 nan 0.000 0.440 244 E N 0.395 120.604 120.200 0.016 0.000 2.047 244 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 244 E C 1.997 178.525 176.600 -0.120 0.000 0.987 244 E CA 1.214 57.590 56.400 -0.040 0.000 0.799 244 E CB -0.017 29.709 29.700 0.042 0.000 0.752 244 E HN 0.264 nan 8.360 nan 0.000 0.449 245 L N 0.885 122.077 121.223 -0.052 0.000 2.131 245 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 245 L C 1.944 178.795 176.870 -0.031 0.000 1.092 245 L CA 1.146 55.952 54.840 -0.057 0.000 0.759 245 L CB -0.434 41.644 42.059 0.031 0.000 0.903 245 L HN 0.205 nan 8.230 nan 0.000 0.435 246 N N -0.409 118.286 118.700 -0.008 0.000 2.188 246 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 246 N C 1.907 177.419 175.510 0.003 0.000 1.018 246 N CA 0.757 53.811 53.050 0.007 0.000 0.858 246 N CB 0.001 38.494 38.487 0.010 0.000 0.989 246 N HN 0.295 nan 8.380 nan 0.000 0.426 247 R N 0.724 121.212 120.500 -0.020 0.000 2.075 247 R HA 0.011 4.350 4.340 -0.000 0.000 0.232 247 R C 2.139 178.438 176.300 -0.001 0.000 1.126 247 R CA 0.876 56.969 56.100 -0.012 0.000 0.963 247 R CB -0.264 30.013 30.300 -0.038 0.000 0.858 247 R HN 0.267 nan 8.270 nan 0.000 0.435 248 I N 1.107 121.633 120.570 -0.074 0.000 2.226 248 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 248 I C 2.104 178.265 176.117 0.073 0.000 1.100 248 I CA 1.442 62.702 61.300 -0.067 0.000 1.374 248 I CB -0.257 37.606 38.000 -0.228 0.000 1.057 248 I HN 0.124 nan 8.210 nan 0.000 0.413 249 K N 0.432 120.862 120.400 0.051 0.000 2.063 249 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 249 K C 2.256 178.923 176.600 0.111 0.000 1.048 249 K CA 1.470 57.812 56.287 0.093 0.000 0.928 249 K CB -0.237 32.310 32.500 0.078 0.000 0.713 249 K HN 0.065 nan 8.250 nan 0.000 0.442 250 R N 0.516 121.070 120.500 0.090 0.000 2.081 250 R HA -0.181 4.158 4.340 -0.000 0.000 0.235 250 R C 1.839 178.198 176.300 0.098 0.000 1.131 250 R CA 1.648 57.793 56.100 0.074 0.000 0.960 250 R CB -0.775 29.558 30.300 0.055 0.000 0.856 250 R HN 0.402 nan 8.270 nan 0.000 0.436 251 W N -0.282 120.999 121.300 -0.032 0.000 2.358 251 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 251 W C 1.991 178.508 176.519 -0.003 0.000 1.208 251 W CA 1.636 58.959 57.345 -0.037 0.000 1.274 251 W CB -0.492 28.921 29.460 -0.079 0.000 1.138 251 W HN 0.147 nan 8.180 nan 0.000 0.515 252 C N -0.258 119.235 119.300 0.323 0.000 2.453 252 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 252 C C 2.668 177.707 174.990 0.081 0.000 1.262 252 C CA 1.167 60.317 59.018 0.220 0.000 1.718 252 C CB -1.487 26.414 27.740 0.269 0.000 2.031 252 C HN 0.443 nan 8.230 nan 0.000 0.480 253 I N 0.480 121.106 120.570 0.093 0.000 2.614 253 I HA -0.144 4.026 4.170 -0.000 0.000 0.258 253 I C 2.035 178.139 176.117 -0.022 0.000 1.189 253 I CA 1.141 62.496 61.300 0.092 0.000 1.462 253 I CB -0.071 37.984 38.000 0.092 0.000 1.092 253 I HN 0.259 nan 8.210 nan 0.000 0.442 254 M N -0.195 119.336 119.600 -0.115 0.000 2.619 254 M HA -0.020 4.460 4.480 -0.000 0.000 0.251 254 M C 1.691 177.837 176.300 -0.256 0.000 1.106 254 M CA 0.868 56.054 55.300 -0.190 0.000 1.086 254 M CB -0.851 31.614 32.600 -0.225 0.000 1.465 254 M HN 0.168 nan 8.290 nan 0.000 0.506 255 R N 0.304 120.659 120.500 -0.242 0.000 2.236 255 R HA 0.035 4.375 4.340 -0.000 0.000 0.208 255 R C 0.884 176.935 176.300 -0.415 0.000 1.036 255 R CA 0.174 56.136 56.100 -0.228 0.000 1.001 255 R CB -0.584 29.687 30.300 -0.047 0.000 0.896 255 R HN 0.539 nan 8.270 nan 0.000 0.464 256 Q N 1.113 120.655 119.800 -0.430 0.000 2.288 256 Q HA -0.002 4.338 4.340 -0.000 0.000 0.258 256 Q C 0.226 175.890 176.000 -0.559 0.000 0.957 256 Q CA 0.063 55.388 55.803 -0.796 0.000 0.919 256 Q CB 0.901 29.119 28.738 -0.866 0.000 1.185 256 Q HN -0.024 nan 8.270 nan 0.000 0.408 257 Q N 2.673 122.142 119.800 -0.552 0.000 2.471 257 Q HA 0.125 4.465 4.340 -0.000 0.000 0.241 257 Q C 0.172 176.001 176.000 -0.285 0.000 0.886 257 Q CA 1.335 56.907 55.803 -0.384 0.000 0.953 257 Q CB 0.645 29.152 28.738 -0.386 0.000 1.108 257 Q HN 0.881 nan 8.270 nan 0.000 0.575 258 N N -0.994 117.517 118.700 -0.315 0.000 2.587 258 N HA 0.045 4.785 4.740 -0.000 0.000 0.341 258 N C 0.799 176.185 175.510 -0.206 0.000 0.585 258 N CA 0.373 53.316 53.050 -0.178 0.000 1.401 258 N CB -0.247 38.198 38.487 -0.071 0.000 1.700 258 N HN 0.088 nan 8.380 nan 0.000 1.698 259 G N -0.972 107.651 108.800 -0.296 0.000 2.641 259 G HA2 0.569 4.528 3.960 -0.000 0.000 0.239 259 G HA3 0.569 4.528 3.960 -0.000 0.000 0.239 259 G C -1.423 173.279 174.900 -0.329 0.000 1.402 259 G CA -0.310 44.662 45.100 -0.214 0.000 1.046 259 G HN 0.140 nan 8.290 nan 0.000 0.565 260 Y N -0.711 119.536 120.300 -0.089 0.000 2.485 260 Y HA 0.447 4.997 4.550 -0.000 0.000 0.345 260 Y C 0.655 176.597 175.900 0.070 0.000 0.998 260 Y CA -0.851 57.223 58.100 -0.044 0.000 1.059 260 Y CB 1.763 40.273 38.460 0.084 0.000 1.234 260 Y HN 0.717 nan 8.280 nan 0.000 0.461 261 H N -1.499 117.586 119.070 0.026 0.000 2.615 261 H HA 0.603 5.159 4.556 -0.000 0.000 0.346 261 H C 0.493 175.454 175.328 -0.611 0.000 1.200 261 H CA -0.847 55.129 56.048 -0.120 0.000 1.264 261 H CB 1.945 31.630 29.762 -0.129 0.000 1.699 261 H HN 0.817 nan 8.280 nan 0.000 0.567 262 G N 0.126 108.317 108.800 -1.014 0.000 2.551 262 G HA2 0.065 4.025 3.960 -0.000 0.000 0.216 262 G HA3 0.065 4.025 3.960 -0.000 0.000 0.216 262 G C 0.241 174.610 174.900 -0.885 0.000 1.137 262 G CA -0.203 43.965 45.100 -1.553 0.000 0.798 262 G HN 0.759 nan 8.290 nan 0.000 0.536 263 R N -1.355 118.697 120.500 -0.747 0.000 2.663 263 R HA 0.390 4.730 4.340 -0.000 0.000 0.267 263 R C -3.492 172.302 176.300 -0.843 0.000 1.038 263 R CA -2.034 53.751 56.100 -0.526 0.000 0.886 263 R CB 0.303 30.487 30.300 -0.193 0.000 1.249 263 R HN -0.243 nan 8.270 nan 0.000 0.463 264 P HA -0.098 nan 4.420 nan 0.000 0.263 264 P C -0.499 176.641 177.300 -0.267 0.000 1.168 264 P CA 0.504 63.383 63.100 -0.369 0.000 0.759 264 P CB 0.218 31.835 31.700 -0.138 0.000 0.782 265 N N -0.646 117.978 118.700 -0.128 0.000 2.741 265 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 265 N C -0.329 175.153 175.510 -0.048 0.000 1.112 265 N CA 1.300 54.325 53.050 -0.043 0.000 0.750 265 N CB -0.692 37.779 38.487 -0.027 0.000 1.119 265 N HN 0.498 nan 8.380 nan 0.000 0.561 266 K N 0.456 120.794 120.400 -0.104 0.000 2.267 266 K HA 0.497 4.816 4.320 -0.000 0.000 0.246 266 K C -2.228 174.435 176.600 0.105 0.000 0.954 266 K CA -1.434 54.838 56.287 -0.024 0.000 0.824 266 K CB 1.873 34.323 32.500 -0.083 0.000 1.167 266 K HN -0.098 nan 8.250 nan 0.000 0.431 267 P HA 0.015 nan 4.420 nan 0.000 0.271 267 P C 0.178 177.621 177.300 0.239 0.000 1.218 267 P CA -0.450 62.711 63.100 0.102 0.000 0.780 267 P CB 0.532 32.208 31.700 -0.040 0.000 0.901 268 V N -0.780 119.206 119.914 0.121 0.000 3.096 268 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 268 V C 0.008 176.339 176.094 0.396 0.000 1.088 268 V CA 0.051 62.423 62.300 0.120 0.000 1.129 268 V CB 0.502 32.133 31.823 -0.321 0.000 1.014 268 V HN 0.627 nan 8.190 nan 0.000 0.486 269 D N 1.566 122.251 120.400 0.475 0.000 2.970 269 D HA 0.310 4.950 4.640 -0.000 0.000 0.230 269 D C 0.780 177.338 176.300 0.429 0.000 1.276 269 D CA -0.000 54.311 54.000 0.519 0.000 0.910 269 D CB 2.228 43.325 40.800 0.495 0.000 1.590 269 D HN 0.648 nan 8.370 nan 0.000 0.551 270 T N 1.873 116.733 114.554 0.510 0.000 2.649 270 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 270 T C 2.017 176.808 174.700 0.152 0.000 1.036 270 T CA 2.377 64.716 62.100 0.399 0.000 1.157 270 T CB -0.618 68.436 68.868 0.310 0.000 0.861 270 T HN 0.780 nan 8.240 nan 0.000 0.445 271 C N 0.465 119.789 119.300 0.041 0.000 2.409 271 C HA -0.064 4.396 4.460 -0.000 0.000 0.284 271 C C 2.211 176.981 174.990 -0.367 0.000 1.354 271 C CA -0.129 58.714 59.018 -0.291 0.000 1.787 271 C CB -2.063 25.387 27.740 -0.484 0.000 1.900 271 C HN 0.506 nan 8.230 nan 0.000 0.520 272 Y N 1.914 122.309 120.300 0.158 0.000 2.509 272 Y HA 0.022 4.572 4.550 -0.000 0.000 0.293 272 Y C 2.851 178.695 175.900 -0.093 0.000 1.133 272 Y CA 1.207 59.398 58.100 0.151 0.000 1.283 272 Y CB -0.832 37.767 38.460 0.231 0.000 1.001 272 Y HN 0.348 nan 8.280 nan 0.000 0.555 273 S N -0.380 115.337 115.700 0.028 0.000 2.419 273 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 273 S C 1.711 176.129 174.600 -0.304 0.000 1.016 273 S CA 1.236 59.366 58.200 -0.115 0.000 0.974 273 S CB -0.395 62.838 63.200 0.054 0.000 0.786 273 S HN 0.540 nan 8.310 nan 0.000 0.492 274 F N 0.094 119.778 119.950 -0.443 0.000 2.315 274 F HA 0.190 4.717 4.527 -0.000 0.000 0.284 274 F C 1.606 177.069 175.800 -0.561 0.000 1.049 274 F CA 0.164 57.821 58.000 -0.572 0.000 1.323 274 F CB -0.659 37.939 39.000 -0.670 0.000 1.113 274 F HN 0.170 nan 8.300 nan 0.000 0.544 275 W N 0.399 121.365 121.300 -0.558 0.000 2.315 275 W HA -0.232 4.428 4.660 -0.000 0.000 0.323 275 W C 2.350 178.658 176.519 -0.352 0.000 1.233 275 W CA 1.607 58.610 57.345 -0.569 0.000 1.267 275 W CB -0.986 28.379 29.460 -0.159 0.000 1.160 275 W HN -0.173 nan 8.180 nan 0.000 0.474 276 V N 0.318 120.236 119.914 0.006 0.000 2.407 276 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 276 V C 2.377 178.305 176.094 -0.276 0.000 1.041 276 V CA 1.927 64.192 62.300 -0.060 0.000 1.040 276 V CB -1.558 30.243 31.823 -0.038 0.000 0.671 276 V HN 0.382 nan 8.190 nan 0.000 0.455 277 G N 0.074 108.530 108.800 -0.573 0.000 2.440 277 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 277 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 277 G C 1.748 176.241 174.900 -0.679 0.000 1.154 277 G CA 1.149 45.863 45.100 -0.643 0.000 0.767 277 G HN 0.597 nan 8.290 nan 0.000 0.552 278 A N 0.044 122.415 122.820 -0.748 0.000 1.969 278 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 278 A C 2.520 179.987 177.584 -0.194 0.000 1.169 278 A CA 2.353 54.021 52.037 -0.616 0.000 0.635 278 A CB -0.766 17.559 19.000 -1.125 0.000 0.810 278 A HN 0.304 nan 8.150 nan 0.000 0.445 279 T N 0.491 115.011 114.554 -0.057 0.000 2.777 279 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 279 T C 1.786 176.508 174.700 0.036 0.000 1.040 279 T CA 1.422 63.559 62.100 0.062 0.000 1.141 279 T CB -0.367 68.579 68.868 0.129 0.000 0.868 279 T HN 0.376 nan 8.240 nan 0.000 0.444 280 L N 0.529 121.775 121.223 0.038 0.000 2.083 280 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 280 L C 2.610 179.557 176.870 0.128 0.000 1.083 280 L CA 1.122 56.044 54.840 0.137 0.000 0.752 280 L CB -0.388 41.841 42.059 0.283 0.000 0.899 280 L HN 0.150 nan 8.230 nan 0.000 0.433 281 K N 0.739 121.145 120.400 0.009 0.000 2.057 281 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 281 K C 1.968 178.575 176.600 0.010 0.000 1.050 281 K CA 1.400 57.686 56.287 -0.003 0.000 0.935 281 K CB -0.274 32.116 32.500 -0.184 0.000 0.715 281 K HN 0.150 nan 8.250 nan 0.000 0.439 282 L N 0.271 121.492 121.223 -0.003 0.000 2.191 282 L HA -0.096 4.243 4.340 -0.000 0.000 0.212 282 L C 1.687 178.580 176.870 0.039 0.000 1.103 282 L CA 0.810 55.659 54.840 0.014 0.000 0.769 282 L CB -0.222 41.845 42.059 0.012 0.000 0.908 282 L HN 0.169 nan 8.230 nan 0.000 0.438 283 L N -0.549 120.709 121.223 0.057 0.000 2.611 283 L HA 0.043 4.383 4.340 -0.000 0.000 0.229 283 L C 0.583 177.506 176.870 0.088 0.000 1.137 283 L CA 0.047 54.930 54.840 0.073 0.000 0.901 283 L CB -0.203 41.904 42.059 0.080 0.000 1.098 283 L HN 0.193 nan 8.230 nan 0.000 0.456 284 K N 0.543 120.992 120.400 0.081 0.000 3.069 284 K HA -0.203 4.117 4.320 -0.000 0.000 0.267 284 K C 0.626 177.278 176.600 0.087 0.000 1.082 284 K CA 1.041 57.373 56.287 0.075 0.000 0.782 284 K CB -1.649 30.890 32.500 0.065 0.000 1.230 284 K HN 0.603 nan 8.250 nan 0.000 0.488 285 I N -4.671 115.979 120.570 0.134 0.000 4.160 285 I HA 0.171 4.341 4.170 -0.000 0.000 0.325 285 I C 1.289 177.499 176.117 0.154 0.000 1.455 285 I CA -0.663 60.741 61.300 0.173 0.000 1.142 285 I CB 0.074 38.267 38.000 0.322 0.000 1.262 285 I HN -0.012 nan 8.210 nan 0.000 0.483 286 F N 3.480 123.446 119.950 0.026 0.000 2.216 286 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 286 F C 2.543 178.429 175.800 0.143 0.000 1.085 286 F CA 2.375 60.428 58.000 0.087 0.000 1.326 286 F CB -0.107 38.919 39.000 0.043 0.000 1.027 286 F HN 0.378 nan 8.300 nan 0.000 0.497 287 Q N -1.388 118.346 119.800 -0.109 0.000 2.368 287 Q HA -0.244 4.096 4.340 -0.000 0.000 0.210 287 Q C 1.109 176.830 176.000 -0.464 0.000 0.982 287 Q CA 1.896 57.501 55.803 -0.329 0.000 0.884 287 Q CB -1.035 27.416 28.738 -0.480 0.000 0.933 287 Q HN 0.622 nan 8.270 nan 0.000 0.460 288 Y N 2.006 122.246 120.300 -0.099 0.000 2.457 288 Y HA 0.133 4.682 4.550 -0.000 0.000 0.263 288 Y C 1.114 176.944 175.900 -0.117 0.000 1.164 288 Y CA -0.168 57.866 58.100 -0.110 0.000 1.274 288 Y CB 0.539 38.970 38.460 -0.048 0.000 1.097 288 Y HN 0.169 nan 8.280 nan 0.000 0.523 289 T N -1.884 112.648 114.554 -0.037 0.000 2.824 289 T HA 0.076 4.426 4.350 -0.000 0.000 0.277 289 T C 0.058 174.743 174.700 -0.024 0.000 0.975 289 T CA -0.956 61.136 62.100 -0.014 0.000 0.966 289 T CB 1.164 70.019 68.868 -0.020 0.000 1.054 289 T HN 0.074 nan 8.240 nan 0.000 0.533 290 N N 0.516 119.228 118.700 0.020 0.000 2.437 290 N HA 0.164 4.904 4.740 -0.000 0.000 0.243 290 N C 0.373 176.001 175.510 0.197 0.000 1.041 290 N CA -0.485 52.585 53.050 0.035 0.000 0.940 290 N CB -0.096 38.383 38.487 -0.014 0.000 1.133 290 N HN 0.706 nan 8.380 nan 0.000 0.506 291 F N 1.464 121.357 119.950 -0.096 0.000 2.113 291 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 291 F C 1.951 177.756 175.800 0.007 0.000 1.103 291 F CA 0.375 58.346 58.000 -0.049 0.000 1.248 291 F CB 0.358 39.325 39.000 -0.056 0.000 0.999 291 F HN 0.424 nan 8.300 nan 0.000 0.475 292 E N 0.963 121.287 120.200 0.207 0.000 2.058 292 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 292 E C 1.891 178.553 176.600 0.103 0.000 0.997 292 E CA 1.243 57.719 56.400 0.127 0.000 0.801 292 E CB -0.509 29.240 29.700 0.081 0.000 0.746 292 E HN 0.411 nan 8.360 nan 0.000 0.450 293 K N 0.574 121.023 120.400 0.082 0.000 2.097 293 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 293 K C 2.019 178.685 176.600 0.110 0.000 1.050 293 K CA 1.096 57.425 56.287 0.069 0.000 0.938 293 K CB -0.105 32.404 32.500 0.015 0.000 0.718 293 K HN -0.019 nan 8.250 nan 0.000 0.442 294 N N 1.531 120.303 118.700 0.120 0.000 2.106 294 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 294 N C 1.721 177.346 175.510 0.192 0.000 1.029 294 N CA 1.375 54.536 53.050 0.185 0.000 0.848 294 N CB -0.016 38.623 38.487 0.254 0.000 1.007 294 N HN 0.042 nan 8.380 nan 0.000 0.423 295 R N 0.023 120.601 120.500 0.131 0.000 2.091 295 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 295 R C 1.447 177.813 176.300 0.110 0.000 1.136 295 R CA 1.607 57.762 56.100 0.092 0.000 0.959 295 R CB -0.212 30.130 30.300 0.069 0.000 0.856 295 R HN 0.286 nan 8.270 nan 0.000 0.437 296 N N -0.221 118.549 118.700 0.117 0.000 2.166 296 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 296 N C 1.423 176.993 175.510 0.101 0.000 1.019 296 N CA 1.256 54.367 53.050 0.102 0.000 0.856 296 N CB -0.537 38.005 38.487 0.092 0.000 0.993 296 N HN 0.323 nan 8.380 nan 0.000 0.426 297 Y N 1.652 122.002 120.300 0.084 0.000 2.114 297 Y HA -0.053 4.497 4.550 -0.000 0.000 0.284 297 Y C 2.177 178.160 175.900 0.138 0.000 1.143 297 Y CA 1.286 59.447 58.100 0.101 0.000 1.135 297 Y CB -0.442 38.074 38.460 0.094 0.000 0.980 297 Y HN -0.052 nan 8.280 nan 0.000 0.499 298 I N -0.034 120.584 120.570 0.080 0.000 2.151 298 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 298 I C 2.329 178.518 176.117 0.120 0.000 1.080 298 I CA 1.706 63.033 61.300 0.045 0.000 1.339 298 I CB -0.609 37.402 38.000 0.018 0.000 1.039 298 I HN 0.264 nan 8.210 nan 0.000 0.409 299 L N 0.522 121.836 121.223 0.151 0.000 2.191 299 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 299 L C 2.687 179.600 176.870 0.070 0.000 1.103 299 L CA 1.448 56.419 54.840 0.217 0.000 0.769 299 L CB -0.662 41.502 42.059 0.174 0.000 0.908 299 L HN 0.395 nan 8.230 nan 0.000 0.438 300 S N -1.506 114.163 115.700 -0.052 0.000 2.507 300 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 300 S C 1.719 176.251 174.600 -0.115 0.000 0.988 300 S CA 1.082 59.222 58.200 -0.100 0.000 0.944 300 S CB -0.622 62.488 63.200 -0.150 0.000 0.762 300 S HN 0.558 nan 8.310 nan 0.000 0.526 301 T N -1.737 112.755 114.554 -0.102 0.000 3.105 301 T HA 0.255 4.605 4.350 -0.000 0.000 0.253 301 T C 0.317 175.017 174.700 -0.001 0.000 1.047 301 T CA -0.518 61.566 62.100 -0.026 0.000 0.944 301 T CB -0.251 68.622 68.868 0.008 0.000 1.016 301 T HN 0.464 nan 8.240 nan 0.000 0.544 302 Q N 1.730 121.481 119.800 -0.081 0.000 2.304 302 Q HA 0.102 4.442 4.340 -0.000 0.000 0.260 302 Q C -0.741 175.098 176.000 -0.268 0.000 0.965 302 Q CA -0.304 55.261 55.803 -0.395 0.000 0.898 302 Q CB 0.565 29.091 28.738 -0.353 0.000 1.196 302 Q HN 0.312 nan 8.270 nan 0.000 0.402 303 D N 3.856 124.067 120.400 -0.315 0.000 2.411 303 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 303 D C 0.314 176.477 176.300 -0.229 0.000 1.156 303 D CA -0.047 53.833 54.000 -0.199 0.000 0.874 303 D CB 0.606 41.311 40.800 -0.158 0.000 1.034 303 D HN 0.602 nan 8.370 nan 0.000 0.502 304 R N 2.619 123.012 120.500 -0.179 0.000 2.285 304 R HA -0.042 4.298 4.340 -0.000 0.000 0.213 304 R C 1.573 177.778 176.300 -0.159 0.000 1.068 304 R CA 0.149 56.138 56.100 -0.185 0.000 1.004 304 R CB 0.418 30.639 30.300 -0.131 0.000 0.873 304 R HN 0.453 nan 8.270 nan 0.000 0.467 305 L N 0.545 121.696 121.223 -0.120 0.000 2.185 305 L HA 0.005 4.344 4.340 -0.000 0.000 0.198 305 L C 2.026 178.843 176.870 -0.088 0.000 1.079 305 L CA 1.409 56.195 54.840 -0.090 0.000 0.780 305 L CB -0.296 41.731 42.059 -0.054 0.000 0.955 305 L HN 0.087 nan 8.230 nan 0.000 0.462 306 V N -1.917 117.957 119.914 -0.067 0.000 3.590 306 V HA 0.498 4.618 4.120 -0.000 0.000 0.265 306 V C 0.906 177.013 176.094 0.022 0.000 1.239 306 V CA 0.545 62.841 62.300 -0.007 0.000 1.117 306 V CB -0.293 31.564 31.823 0.055 0.000 0.818 306 V HN 0.606 nan 8.190 nan 0.000 0.451 307 G N -0.670 108.037 108.800 -0.155 0.000 2.685 307 G HA2 0.398 4.357 3.960 -0.000 0.000 0.387 307 G HA3 0.398 4.357 3.960 -0.000 0.000 0.387 307 G C 0.518 175.087 174.900 -0.552 0.000 1.324 307 G CA -0.287 44.622 45.100 -0.319 0.000 0.878 307 G HN 2.442 nan 8.290 nan 0.000 0.527 308 G N -2.167 106.249 108.800 -0.640 0.000 2.855 308 G HA2 0.345 4.305 3.960 -0.000 0.000 0.352 308 G HA3 0.345 4.305 3.960 -0.000 0.000 0.352 308 G C -0.389 174.050 174.900 -0.769 0.000 1.415 308 G CA 0.340 44.711 45.100 -1.216 0.000 0.871 308 G HN 1.801 nan 8.290 nan 0.000 0.543 309 F N 0.017 119.692 119.950 -0.458 0.000 2.593 309 F HA 0.832 5.359 4.527 -0.000 0.000 0.320 309 F C 0.846 176.567 175.800 -0.132 0.000 1.060 309 F CA 0.068 57.940 58.000 -0.214 0.000 0.940 309 F CB 2.123 41.029 39.000 -0.157 0.000 1.268 309 F HN 0.986 nan 8.300 nan 0.000 0.475 310 A N 1.179 124.052 122.820 0.088 0.000 2.344 310 A HA 0.532 4.852 4.320 -0.000 0.000 0.307 310 A C 0.802 178.299 177.584 -0.145 0.000 1.151 310 A CA -0.632 51.371 52.037 -0.057 0.000 0.842 310 A CB 1.343 20.320 19.000 -0.039 0.000 1.350 310 A HN 0.872 nan 8.150 nan 0.000 0.459 311 K N -0.888 119.186 120.400 -0.543 0.000 2.103 311 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 311 K C -0.419 176.136 176.600 -0.075 0.000 1.052 311 K CA 0.712 56.671 56.287 -0.547 0.000 0.945 311 K CB -0.010 31.833 32.500 -1.095 0.000 0.722 311 K HN 0.591 nan 8.250 nan 0.000 0.443 312 W N 1.633 122.976 121.300 0.072 0.000 2.902 312 W HA 0.409 5.069 4.660 -0.000 0.000 0.346 312 W C -2.624 173.915 176.519 0.034 0.000 1.139 312 W CA -3.146 54.283 57.345 0.140 0.000 1.139 312 W CB 0.081 29.617 29.460 0.127 0.000 1.439 312 W HN -0.190 nan 8.180 nan 0.000 0.558 313 P HA -0.002 nan 4.420 nan 0.000 0.271 313 P C -0.147 177.222 177.300 0.114 0.000 1.218 313 P CA 0.533 63.690 63.100 0.095 0.000 0.780 313 P CB 0.764 32.488 31.700 0.040 0.000 0.901 314 D N -1.895 118.544 120.400 0.065 0.000 2.800 314 D HA -0.136 4.504 4.640 -0.000 0.000 0.232 314 D C -0.037 176.303 176.300 0.067 0.000 1.137 314 D CA 1.189 55.223 54.000 0.058 0.000 0.718 314 D CB -1.766 39.063 40.800 0.048 0.000 1.084 314 D HN 0.365 nan 8.370 nan 0.000 0.432 315 S N -1.669 114.078 115.700 0.079 0.000 2.638 315 S HA 0.437 4.907 4.470 -0.000 0.000 0.302 315 S C -0.447 174.201 174.600 0.080 0.000 1.096 315 S CA -0.604 57.625 58.200 0.048 0.000 0.953 315 S CB 1.244 64.501 63.200 0.095 0.000 1.107 315 S HN 0.222 nan 8.310 nan 0.000 0.503 316 H N 2.453 121.537 119.070 0.023 0.000 2.764 316 H HA 0.273 4.828 4.556 -0.000 0.000 0.341 316 H C -1.899 173.438 175.328 0.014 0.000 1.072 316 H CA -1.489 54.578 56.048 0.032 0.000 1.444 316 H CB 0.685 30.486 29.762 0.064 0.000 1.458 316 H HN 0.438 nan 8.280 nan 0.000 0.572 317 P HA 0.062 nan 4.420 nan 0.000 0.276 317 P C -1.082 176.333 177.300 0.191 0.000 1.244 317 P CA -0.386 62.749 63.100 0.058 0.000 0.801 317 P CB 1.495 33.131 31.700 -0.106 0.000 1.006 318 D N -1.122 119.397 120.400 0.199 0.000 2.583 318 D HA 0.462 5.102 4.640 -0.000 0.000 0.248 318 D C 0.864 177.364 176.300 0.333 0.000 1.209 318 D CA -0.996 53.200 54.000 0.326 0.000 0.848 318 D CB 0.536 41.506 40.800 0.284 0.000 1.431 318 D HN 0.164 nan 8.370 nan 0.000 0.436 319 A N 0.535 123.584 122.820 0.382 0.000 1.908 319 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 319 A C 1.987 179.559 177.584 -0.020 0.000 1.181 319 A CA 1.629 53.899 52.037 0.388 0.000 0.627 319 A CB -0.999 18.238 19.000 0.396 0.000 0.818 319 A HN 0.657 nan 8.150 nan 0.000 0.445 320 L N -1.490 119.576 121.223 -0.262 0.000 2.017 320 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 320 L C 2.464 179.070 176.870 -0.440 0.000 1.073 320 L CA 2.264 56.618 54.840 -0.810 0.000 0.745 320 L CB -0.366 41.474 42.059 -0.365 0.000 0.894 320 L HN 0.546 nan 8.230 nan 0.000 0.432 321 H N -0.748 118.270 119.070 -0.086 0.000 2.462 321 H HA 0.046 4.602 4.556 -0.000 0.000 0.292 321 H C 2.137 177.425 175.328 -0.067 0.000 1.049 321 H CA 1.004 57.030 56.048 -0.037 0.000 1.334 321 H CB -0.117 29.644 29.762 -0.002 0.000 1.404 321 H HN 0.512 nan 8.280 nan 0.000 0.544 322 A N 0.257 123.109 122.820 0.052 0.000 1.873 322 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 322 A C 2.069 179.700 177.584 0.078 0.000 1.186 322 A CA 1.499 53.581 52.037 0.075 0.000 0.616 322 A CB -0.901 17.994 19.000 -0.175 0.000 0.823 322 A HN 0.520 nan 8.150 nan 0.000 0.442 323 Y N -0.539 119.682 120.300 -0.131 0.000 2.163 323 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 323 Y C 1.906 177.416 175.900 -0.650 0.000 1.136 323 Y CA 1.709 59.564 58.100 -0.409 0.000 1.147 323 Y CB -0.536 37.468 38.460 -0.760 0.000 0.987 323 Y HN 0.283 nan 8.280 nan 0.000 0.509 324 F N -0.410 119.177 119.950 -0.605 0.000 2.325 324 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 324 F C 2.529 177.951 175.800 -0.629 0.000 1.090 324 F CA 0.761 58.296 58.000 -0.775 0.000 1.392 324 F CB -0.632 37.931 39.000 -0.729 0.000 1.053 324 F HN 0.140 nan 8.300 nan 0.000 0.521 325 G N 0.409 108.926 108.800 -0.471 0.000 2.402 325 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 325 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 325 G C 1.688 176.109 174.900 -0.799 0.000 1.162 325 G CA 0.653 45.314 45.100 -0.732 0.000 0.777 325 G HN 0.320 nan 8.290 nan 0.000 0.539 326 I N 0.345 120.489 120.570 -0.709 0.000 2.252 326 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 326 I C 2.688 178.516 176.117 -0.482 0.000 1.102 326 I CA 0.577 61.581 61.300 -0.492 0.000 1.385 326 I CB -0.143 37.729 38.000 -0.213 0.000 1.064 326 I HN 0.189 nan 8.210 nan 0.000 0.414 327 C N 0.640 119.570 119.300 -0.616 0.000 2.435 327 C HA -0.059 4.401 4.460 -0.000 0.000 0.279 327 C C 2.918 177.751 174.990 -0.262 0.000 1.321 327 C CA 0.891 59.594 59.018 -0.525 0.000 1.752 327 C CB -1.692 25.499 27.740 -0.915 0.000 1.959 327 C HN 0.662 nan 8.230 nan 0.000 0.500 328 G N 0.365 109.006 108.800 -0.264 0.000 2.418 328 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 328 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 328 G C 1.418 176.177 174.900 -0.234 0.000 1.158 328 G CA 0.576 45.552 45.100 -0.206 0.000 0.771 328 G HN 0.342 nan 8.290 nan 0.000 0.545 329 L N 1.285 122.331 121.223 -0.294 0.000 2.083 329 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 329 L C 3.083 179.795 176.870 -0.263 0.000 1.083 329 L CA 1.906 56.572 54.840 -0.290 0.000 0.752 329 L CB -1.010 40.802 42.059 -0.413 0.000 0.899 329 L HN 0.344 nan 8.230 nan 0.000 0.433 330 S N -0.851 114.690 115.700 -0.264 0.000 2.370 330 S HA -0.177 4.293 4.470 -0.000 0.000 0.226 330 S C 2.040 176.541 174.600 -0.166 0.000 1.033 330 S CA 0.865 58.945 58.200 -0.201 0.000 1.011 330 S CB -0.206 62.880 63.200 -0.191 0.000 0.852 330 S HN 0.253 nan 8.310 nan 0.000 0.457 331 L N 1.119 122.214 121.223 -0.214 0.000 2.189 331 L HA 0.078 4.418 4.340 -0.000 0.000 0.214 331 L C 2.104 178.896 176.870 -0.130 0.000 1.097 331 L CA 1.738 56.410 54.840 -0.279 0.000 0.764 331 L CB -0.869 40.805 42.059 -0.642 0.000 0.900 331 L HN 0.495 nan 8.230 nan 0.000 0.436 332 M N -1.493 118.002 119.600 -0.175 0.000 2.453 332 M HA 0.091 4.571 4.480 -0.000 0.000 0.239 332 M C -0.134 176.131 176.300 -0.058 0.000 1.151 332 M CA 0.046 55.194 55.300 -0.253 0.000 0.989 332 M CB 0.179 32.454 32.600 -0.541 0.000 1.548 332 M HN 0.082 nan 8.290 nan 0.000 0.479 333 E N 1.352 121.519 120.200 -0.055 0.000 2.287 333 E HA -0.188 4.162 4.350 -0.000 0.000 0.229 333 E C -0.128 176.445 176.600 -0.044 0.000 1.194 333 E CA 0.192 56.575 56.400 -0.028 0.000 0.704 333 E CB -1.122 28.596 29.700 0.030 0.000 1.216 333 E HN 0.429 nan 8.360 nan 0.000 0.381 334 E N 0.953 121.086 120.200 -0.111 0.000 2.465 334 E HA 0.054 4.404 4.350 -0.000 0.000 0.260 334 E C -0.276 176.265 176.600 -0.098 0.000 0.980 334 E CA 0.229 56.540 56.400 -0.148 0.000 0.927 334 E CB 0.816 30.325 29.700 -0.320 0.000 0.934 334 E HN 0.177 nan 8.360 nan 0.000 0.459 335 S N 3.512 119.187 115.700 -0.042 0.000 2.509 335 S HA 0.364 4.833 4.470 -0.000 0.000 0.287 335 S C 0.964 175.586 174.600 0.037 0.000 1.248 335 S CA 0.842 59.048 58.200 0.010 0.000 1.089 335 S CB -0.591 62.633 63.200 0.040 0.000 0.900 335 S HN 0.920 nan 8.310 nan 0.000 0.496 336 G N 4.188 113.016 108.800 0.046 0.000 2.218 336 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 336 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 336 G C 0.004 174.956 174.900 0.087 0.000 0.994 336 G CA -0.049 45.112 45.100 0.102 0.000 0.637 336 G HN 0.711 nan 8.290 nan 0.000 0.505 337 I N 1.478 122.044 120.570 -0.007 0.000 2.404 337 I HA 0.388 4.558 4.170 -0.000 0.000 0.293 337 I C 1.121 177.215 176.117 -0.038 0.000 0.992 337 I CA -1.182 60.098 61.300 -0.035 0.000 1.149 337 I CB 1.580 39.481 38.000 -0.165 0.000 1.315 337 I HN 0.105 nan 8.210 nan 0.000 0.446 338 C N 4.035 123.323 119.300 -0.020 0.000 2.745 338 C HA 0.034 4.494 4.460 -0.000 0.000 0.387 338 C C 0.949 175.918 174.990 -0.034 0.000 1.312 338 C CA -0.307 58.701 59.018 -0.016 0.000 2.204 338 C CB -0.216 27.520 27.740 -0.006 0.000 2.686 338 C HN 0.684 nan 8.230 nan 0.000 0.705 339 K N 0.951 121.343 120.400 -0.014 0.000 2.258 339 K HA 0.418 4.738 4.320 -0.000 0.000 0.284 339 K C -0.429 176.173 176.600 0.004 0.000 1.051 339 K CA -0.221 56.057 56.287 -0.016 0.000 0.923 339 K CB 0.774 33.275 32.500 0.001 0.000 1.046 339 K HN 0.549 nan 8.250 nan 0.000 0.474 340 V N 5.031 124.941 119.914 -0.007 0.000 2.732 340 V HA 0.053 4.173 4.120 -0.000 0.000 0.297 340 V C -0.296 175.874 176.094 0.126 0.000 1.060 340 V CA -0.429 61.901 62.300 0.050 0.000 1.038 340 V CB 1.074 32.907 31.823 0.016 0.000 1.003 340 V HN 0.802 nan 8.190 nan 0.000 0.481 341 H N 8.812 127.947 119.070 0.108 0.000 2.846 341 H HA 0.338 4.894 4.556 -0.000 0.000 0.278 341 H C -1.763 173.698 175.328 0.221 0.000 1.117 341 H CA -1.921 54.206 56.048 0.132 0.000 1.406 341 H CB 1.693 31.532 29.762 0.127 0.000 1.445 341 H HN 0.545 nan 8.280 nan 0.000 0.469 342 P HA -0.168 nan 4.420 nan 0.000 0.217 342 P C 0.863 178.455 177.300 0.488 0.000 1.148 342 P CA 1.667 64.924 63.100 0.261 0.000 0.828 342 P CB 0.351 32.058 31.700 0.012 0.000 0.783 343 A N -1.251 121.873 122.820 0.507 0.000 1.973 343 A HA 0.094 4.414 4.320 -0.000 0.000 0.210 343 A C 2.033 179.939 177.584 0.537 0.000 1.200 343 A CA 0.332 52.646 52.037 0.463 0.000 0.707 343 A CB -1.043 18.119 19.000 0.271 0.000 0.862 343 A HN 0.121 nan 8.150 nan 0.000 0.461 344 L N -0.446 121.060 121.223 0.470 0.000 2.446 344 L HA 0.171 4.511 4.340 -0.000 0.000 0.219 344 L C 0.617 177.747 176.870 0.434 0.000 1.116 344 L CA 1.178 56.125 54.840 0.177 0.000 0.844 344 L CB -0.779 41.065 42.059 -0.360 0.000 0.970 344 L HN 0.585 nan 8.230 nan 0.000 0.457 345 N N -0.450 118.598 118.700 0.581 0.000 2.756 345 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 345 N C -0.835 174.946 175.510 0.453 0.000 1.062 345 N CA 0.935 54.327 53.050 0.569 0.000 0.696 345 N CB -1.226 37.720 38.487 0.766 0.000 0.946 345 N HN 0.251 nan 8.380 nan 0.000 0.548 346 V N -3.516 116.586 119.914 0.314 0.000 3.232 346 V HA 0.815 4.935 4.120 -0.000 0.000 0.303 346 V C 0.487 176.673 176.094 0.154 0.000 1.311 346 V CA -0.518 61.907 62.300 0.209 0.000 1.061 346 V CB 1.359 33.278 31.823 0.159 0.000 1.085 346 V HN 0.505 nan 8.190 nan 0.000 0.447 347 S N -0.107 115.642 115.700 0.083 0.000 2.572 347 S HA 0.197 4.667 4.470 -0.000 0.000 0.279 347 S C 1.356 176.018 174.600 0.103 0.000 1.341 347 S CA 0.385 58.625 58.200 0.066 0.000 1.043 347 S CB 0.908 64.121 63.200 0.023 0.000 0.887 347 S HN 1.826 nan 8.310 nan 0.000 0.516 348 T N -0.380 114.243 114.554 0.115 0.000 2.833 348 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 348 T C 1.772 176.525 174.700 0.089 0.000 1.054 348 T CA 1.004 63.190 62.100 0.144 0.000 1.135 348 T CB -0.457 68.478 68.868 0.113 0.000 0.869 348 T HN 0.704 nan 8.240 nan 0.000 0.466 349 R N 1.162 121.695 120.500 0.054 0.000 2.091 349 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 349 R C 2.153 178.465 176.300 0.020 0.000 1.136 349 R CA 2.040 58.159 56.100 0.031 0.000 0.959 349 R CB -1.026 29.286 30.300 0.019 0.000 0.856 349 R HN 0.443 nan 8.270 nan 0.000 0.437 350 T N 0.362 114.929 114.554 0.022 0.000 2.857 350 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 350 T C 1.831 176.528 174.700 -0.005 0.000 1.048 350 T CA 1.477 63.579 62.100 0.004 0.000 1.139 350 T CB -0.138 68.735 68.868 0.008 0.000 0.874 350 T HN 0.535 nan 8.240 nan 0.000 0.455 351 S N 1.561 117.276 115.700 0.025 0.000 2.423 351 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 351 S C 1.819 176.424 174.600 0.008 0.000 1.014 351 S CA 0.898 59.104 58.200 0.010 0.000 0.965 351 S CB -0.307 62.918 63.200 0.043 0.000 0.785 351 S HN 0.541 nan 8.310 nan 0.000 0.495 352 E N 0.890 121.104 120.200 0.022 0.000 2.072 352 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 352 E C 2.378 178.949 176.600 -0.049 0.000 0.982 352 E CA 0.415 56.817 56.400 0.004 0.000 0.803 352 E CB -0.128 29.585 29.700 0.021 0.000 0.755 352 E HN 0.275 nan 8.360 nan 0.000 0.453 353 R N 1.151 121.620 120.500 -0.051 0.000 2.127 353 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 353 R C 2.243 178.452 176.300 -0.153 0.000 1.134 353 R CA 0.936 56.989 56.100 -0.078 0.000 0.975 353 R CB -0.439 29.829 30.300 -0.053 0.000 0.865 353 R HN 0.221 nan 8.270 nan 0.000 0.447 354 L N 1.146 122.259 121.223 -0.183 0.000 2.109 354 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 354 L C 2.564 179.116 176.870 -0.531 0.000 1.086 354 L CA 1.688 56.314 54.840 -0.356 0.000 0.760 354 L CB -0.561 41.328 42.059 -0.284 0.000 0.910 354 L HN 0.062 nan 8.230 nan 0.000 0.437 355 R N -0.563 119.764 120.500 -0.288 0.000 2.120 355 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 355 R C 1.694 177.873 176.300 -0.202 0.000 1.123 355 R CA 1.764 57.745 56.100 -0.199 0.000 0.975 355 R CB -0.246 30.027 30.300 -0.045 0.000 0.866 355 R HN 0.450 nan 8.270 nan 0.000 0.446 356 D N 0.589 120.870 120.400 -0.198 0.000 2.123 356 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 356 D C 1.998 178.137 176.300 -0.268 0.000 0.976 356 D CA 0.932 54.831 54.000 -0.168 0.000 0.831 356 D CB -0.180 40.551 40.800 -0.115 0.000 0.974 356 D HN 0.269 nan 8.370 nan 0.000 0.469 357 L N 0.288 121.262 121.223 -0.414 0.000 2.079 357 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 357 L C 2.357 178.575 176.870 -1.088 0.000 1.081 357 L CA 1.286 55.726 54.840 -0.668 0.000 0.752 357 L CB -0.457 41.178 42.059 -0.707 0.000 0.896 357 L HN 0.224 nan 8.230 nan 0.000 0.433 358 H N -1.184 117.373 119.070 -0.855 0.000 2.326 358 H HA -0.181 4.375 4.556 -0.000 0.000 0.301 358 H C 2.574 177.711 175.328 -0.318 0.000 1.081 358 H CA 1.152 56.794 56.048 -0.676 0.000 1.334 358 H CB 0.060 29.582 29.762 -0.401 0.000 1.385 358 H HN 0.419 nan 8.280 nan 0.000 0.504 359 Q N 1.043 120.790 119.800 -0.089 0.000 2.096 359 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 359 Q C 2.463 178.456 176.000 -0.012 0.000 0.982 359 Q CA 2.025 57.810 55.803 -0.031 0.000 0.850 359 Q CB -1.131 27.589 28.738 -0.031 0.000 0.901 359 Q HN 0.637 nan 8.270 nan 0.000 0.422 360 S N -1.100 114.563 115.700 -0.062 0.000 2.382 360 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 360 S C 1.815 176.521 174.600 0.177 0.000 1.027 360 S CA 1.327 59.542 58.200 0.026 0.000 0.991 360 S CB -0.589 62.614 63.200 0.005 0.000 0.823 360 S HN 0.784 nan 8.310 nan 0.000 0.469 361 W N 2.485 123.811 121.300 0.042 0.000 2.402 361 W HA 0.261 4.921 4.660 -0.000 0.000 0.286 361 W C 1.628 178.156 176.519 0.016 0.000 1.221 361 W CA 0.339 57.701 57.345 0.030 0.000 1.257 361 W CB -1.170 28.312 29.460 0.037 0.000 1.120 361 W HN 0.503 nan 8.180 nan 0.000 0.551 362 K N 1.888 122.421 120.400 0.222 0.000 2.228 362 K HA 0.447 4.766 4.320 -0.000 0.000 0.284 362 K C 0.249 176.906 176.600 0.094 0.000 1.088 362 K CA 0.582 56.945 56.287 0.128 0.000 0.941 362 K CB -0.919 31.631 32.500 0.083 0.000 1.158 362 K HN 0.209 nan 8.250 nan 0.000 0.438 363 T N 0.000 114.605 114.554 0.085 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.137 62.100 0.062 0.000 1.349 363 T CB 0.000 68.909 68.868 0.068 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658