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 1tnz_1_J 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 0.000 176.925 176.870 0.092 0.000 1.165 18 L CA 0.000 54.880 54.840 0.066 0.000 0.813 18 L CB 0.000 42.093 42.059 0.056 0.000 0.961 19 D N -0.333 120.124 120.400 0.095 0.000 2.350 19 D HA 0.345 4.985 4.640 0.000 0.000 0.238 19 D C -0.945 175.478 176.300 0.205 0.000 0.989 19 D CA -0.374 53.705 54.000 0.132 0.000 0.921 19 D CB 1.964 42.813 40.800 0.082 0.000 1.297 19 D HN 0.209 nan 8.370 nan 0.000 0.490 20 F N 1.279 121.278 119.950 0.082 0.000 2.423 20 F HA 0.247 4.774 4.527 0.000 0.000 0.356 20 F C -0.295 175.560 175.800 0.091 0.000 1.170 20 F CA -1.200 56.883 58.000 0.137 0.000 1.163 20 F CB 0.139 39.229 39.000 0.151 0.000 1.318 20 F HN 0.128 nan 8.300 nan 0.000 0.569 21 L N 7.215 128.239 121.223 -0.331 0.000 2.679 21 L HA 0.062 4.402 4.340 0.000 0.000 0.241 21 L C 2.090 178.490 176.870 -0.783 0.000 1.441 21 L CA 0.498 55.040 54.840 -0.497 0.000 1.181 21 L CB -1.428 40.339 42.059 -0.487 0.000 1.451 21 L HN 0.629 nan 8.230 nan 0.000 0.446 22 R N 0.816 120.844 120.500 -0.786 0.000 2.133 22 R HA -0.230 4.110 4.340 0.000 0.000 0.245 22 R C 1.088 177.213 176.300 -0.292 0.000 1.137 22 R CA 2.285 58.019 56.100 -0.609 0.000 0.947 22 R CB 0.036 30.222 30.300 -0.190 0.000 0.865 22 R HN 0.519 nan 8.270 nan 0.000 0.437 23 D N -0.328 119.936 120.400 -0.226 0.000 2.117 23 D HA -0.172 4.468 4.640 0.000 0.000 0.197 23 D C 2.019 178.207 176.300 -0.188 0.000 0.987 23 D CA 1.014 54.928 54.000 -0.144 0.000 0.829 23 D CB -0.289 40.444 40.800 -0.112 0.000 0.961 23 D HN 0.151 nan 8.370 nan 0.000 0.460 24 R N 0.563 120.868 120.500 -0.325 0.000 2.103 24 R HA -0.155 4.185 4.340 0.000 0.000 0.242 24 R C 2.117 178.205 176.300 -0.353 0.000 1.142 24 R CA 1.431 57.311 56.100 -0.368 0.000 0.960 24 R CB -0.480 29.505 30.300 -0.526 0.000 0.858 24 R HN 0.319 nan 8.270 nan 0.000 0.439 25 H N -0.802 118.106 119.070 -0.270 0.000 2.495 25 H HA 0.002 4.558 4.556 0.000 0.000 0.287 25 H C 1.959 177.198 175.328 -0.148 0.000 1.033 25 H CA 1.462 57.324 56.048 -0.311 0.000 1.307 25 H CB -0.022 29.553 29.762 -0.311 0.000 1.401 25 H HN 0.109 nan 8.280 nan 0.000 0.555 26 V N 0.771 120.720 119.914 0.059 0.000 2.379 26 V HA -0.177 3.943 4.120 0.000 0.000 0.245 26 V C 2.562 178.715 176.094 0.098 0.000 1.044 26 V CA 1.341 63.728 62.300 0.146 0.000 1.036 26 V CB -0.271 31.602 31.823 0.085 0.000 0.664 26 V HN 0.160 nan 8.190 nan 0.000 0.453 27 R N -0.258 120.251 120.500 0.014 0.000 2.073 27 R HA -0.091 4.249 4.340 0.000 0.000 0.234 27 R C 2.038 178.338 176.300 -0.000 0.000 1.134 27 R CA 1.692 57.785 56.100 -0.011 0.000 0.952 27 R CB -1.025 29.242 30.300 -0.054 0.000 0.850 27 R HN 0.536 nan 8.270 nan 0.000 0.433 28 F N -0.143 119.705 119.950 -0.170 0.000 2.046 28 F HA -0.239 4.288 4.527 0.000 0.000 0.297 28 F C 1.741 177.449 175.800 -0.153 0.000 1.123 28 F CA 1.700 59.570 58.000 -0.216 0.000 1.199 28 F CB -0.377 38.420 39.000 -0.338 0.000 0.972 28 F HN 0.004 nan 8.300 nan 0.000 0.474 29 F N 0.332 120.486 119.950 0.340 0.000 2.161 29 F HA -0.285 4.242 4.527 0.000 0.000 0.300 29 F C 2.694 178.493 175.800 -0.003 0.000 1.089 29 F CA 1.472 59.578 58.000 0.178 0.000 1.282 29 F CB -0.727 38.354 39.000 0.136 0.000 1.010 29 F HN 0.119 nan 8.300 nan 0.000 0.485 30 Q N 0.535 120.429 119.800 0.156 0.000 2.084 30 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 30 Q C 2.450 178.418 176.000 -0.053 0.000 0.978 30 Q CA 1.294 57.117 55.803 0.035 0.000 0.844 30 Q CB -0.128 28.619 28.738 0.016 0.000 0.898 30 Q HN 0.264 nan 8.270 nan 0.000 0.426 31 R N -0.397 120.031 120.500 -0.119 0.000 2.081 31 R HA -0.128 4.212 4.340 0.000 0.000 0.235 31 R C 2.211 178.378 176.300 -0.222 0.000 1.131 31 R CA 1.511 57.490 56.100 -0.202 0.000 0.960 31 R CB -0.410 29.702 30.300 -0.313 0.000 0.856 31 R HN 0.427 nan 8.270 nan 0.000 0.436 32 C N 0.572 119.739 119.300 -0.222 0.000 2.422 32 C HA -0.047 4.413 4.460 0.000 0.000 0.279 32 C C 2.421 177.333 174.990 -0.130 0.000 1.305 32 C CA 0.173 59.085 59.018 -0.176 0.000 1.757 32 C CB -0.848 26.869 27.740 -0.039 0.000 1.962 32 C HN 0.405 nan 8.230 nan 0.000 0.499 33 L N 0.662 121.821 121.223 -0.107 0.000 2.313 33 L HA -0.031 4.309 4.340 0.000 0.000 0.214 33 L C 2.315 179.075 176.870 -0.183 0.000 1.119 33 L CA 1.520 56.272 54.840 -0.146 0.000 0.809 33 L CB -1.399 40.590 42.059 -0.118 0.000 0.933 33 L HN 0.560 nan 8.230 nan 0.000 0.449 34 Q N -0.981 118.725 119.800 -0.156 0.000 1.714 34 Q HA 0.096 4.436 4.340 0.000 0.000 0.383 34 Q C -0.118 175.794 176.000 -0.147 0.000 0.936 34 Q CA 0.614 56.327 55.803 -0.149 0.000 0.888 34 Q CB 0.168 28.831 28.738 -0.125 0.000 0.973 34 Q HN 0.117 nan 8.270 nan 0.000 0.420 35 V N 1.049 120.883 119.914 -0.134 0.000 2.789 35 V HA 0.399 4.519 4.120 0.000 0.000 0.311 35 V C -0.898 175.122 176.094 -0.124 0.000 1.073 35 V CA -0.602 61.632 62.300 -0.110 0.000 0.921 35 V CB 1.999 33.774 31.823 -0.080 0.000 1.009 35 V HN 0.263 nan 8.190 nan 0.000 0.426 36 L N 4.274 125.438 121.223 -0.098 0.000 2.342 36 L HA 0.646 4.986 4.340 0.000 0.000 0.271 36 L C -2.394 174.498 176.870 0.038 0.000 1.008 36 L CA -1.832 52.941 54.840 -0.110 0.000 0.818 36 L CB 1.802 43.759 42.059 -0.170 0.000 1.296 36 L HN 0.429 nan 8.230 nan 0.000 0.427 37 P HA 0.035 nan 4.420 nan 0.000 0.272 37 P C 0.378 177.813 177.300 0.226 0.000 1.230 37 P CA -0.391 62.824 63.100 0.192 0.000 0.788 37 P CB 0.674 32.529 31.700 0.257 0.000 0.949 38 E N 1.118 121.388 120.200 0.116 0.000 2.331 38 E HA -0.233 4.117 4.350 0.000 0.000 0.199 38 E C 1.303 177.931 176.600 0.046 0.000 1.008 38 E CA 0.750 57.200 56.400 0.082 0.000 0.843 38 E CB -0.000 29.726 29.700 0.044 0.000 0.761 38 E HN 0.281 nan 8.360 nan 0.000 0.507 39 R N -0.679 119.817 120.500 -0.007 0.000 2.200 39 R HA -0.166 4.174 4.340 0.000 0.000 0.234 39 R C 0.831 176.901 176.300 -0.383 0.000 1.127 39 R CA 1.223 57.184 56.100 -0.232 0.000 0.989 39 R CB -0.204 29.850 30.300 -0.411 0.000 0.869 39 R HN 0.339 nan 8.270 nan 0.000 0.459 40 Y N 0.194 120.514 120.300 0.034 0.000 2.532 40 Y HA 0.080 4.630 4.550 0.000 0.000 0.283 40 Y C 2.012 177.933 175.900 0.036 0.000 1.181 40 Y CA -0.065 58.060 58.100 0.042 0.000 1.256 40 Y CB -0.007 38.480 38.460 0.044 0.000 1.112 40 Y HN 0.068 nan 8.280 nan 0.000 0.521 41 S N -0.571 115.187 115.700 0.096 0.000 2.402 41 S HA -0.281 4.189 4.470 0.000 0.000 0.233 41 S C 2.146 176.777 174.600 0.051 0.000 1.030 41 S CA 1.572 59.813 58.200 0.070 0.000 1.003 41 S CB -0.872 62.351 63.200 0.038 0.000 0.813 41 S HN 0.542 nan 8.310 nan 0.000 0.477 42 S N 1.771 117.497 115.700 0.044 0.000 2.469 42 S HA 0.113 4.583 4.470 0.000 0.000 0.238 42 S C 1.514 176.140 174.600 0.043 0.000 0.998 42 S CA 0.808 59.027 58.200 0.033 0.000 0.957 42 S CB -0.780 62.440 63.200 0.034 0.000 0.764 42 S HN 0.610 nan 8.310 nan 0.000 0.514 43 L N 0.630 121.903 121.223 0.083 0.000 2.607 43 L HA 0.292 4.632 4.340 0.000 0.000 0.228 43 L C 2.405 179.301 176.870 0.044 0.000 1.123 43 L CA 0.227 55.118 54.840 0.084 0.000 0.890 43 L CB -0.308 41.842 42.059 0.152 0.000 1.103 43 L HN 0.230 nan 8.230 nan 0.000 0.468 44 E N 1.490 121.703 120.200 0.023 0.000 2.048 44 E HA -0.267 4.083 4.350 0.000 0.000 0.202 44 E C 2.020 178.591 176.600 -0.048 0.000 1.021 44 E CA 2.448 58.856 56.400 0.013 0.000 0.825 44 E CB -0.248 29.451 29.700 -0.003 0.000 0.756 44 E HN 0.409 nan 8.360 nan 0.000 0.454 45 T N -2.572 111.854 114.554 -0.213 0.000 3.163 45 T HA 0.084 4.434 4.350 0.000 0.000 0.260 45 T C 0.968 175.572 174.700 -0.159 0.000 1.156 45 T CA 0.754 62.657 62.100 -0.327 0.000 1.072 45 T CB -0.111 68.408 68.868 -0.581 0.000 0.937 45 T HN 0.019 nan 8.240 nan 0.000 0.528 46 S N 0.076 115.729 115.700 -0.079 0.000 2.952 46 S HA 0.340 4.810 4.470 0.000 0.000 0.251 46 S C 1.344 175.943 174.600 -0.001 0.000 1.021 46 S CA -0.757 57.405 58.200 -0.064 0.000 1.067 46 S CB 0.327 63.499 63.200 -0.046 0.000 1.002 46 S HN 0.384 nan 8.310 nan 0.000 0.574 47 R N 0.848 121.387 120.500 0.065 0.000 2.096 47 R HA -0.022 4.318 4.340 0.000 0.000 0.235 47 R C 2.024 178.429 176.300 0.175 0.000 1.127 47 R CA 0.976 57.159 56.100 0.138 0.000 0.968 47 R CB -0.368 30.076 30.300 0.241 0.000 0.861 47 R HN 0.270 nan 8.270 nan 0.000 0.440 48 L N 0.979 122.290 121.223 0.145 0.000 2.079 48 L HA -0.168 4.172 4.340 0.000 0.000 0.210 48 L C 2.312 179.163 176.870 -0.031 0.000 1.081 48 L CA 2.361 57.262 54.840 0.101 0.000 0.752 48 L CB -0.907 41.115 42.059 -0.063 0.000 0.896 48 L HN 0.293 nan 8.230 nan 0.000 0.433 49 T N -3.564 110.908 114.554 -0.136 0.000 3.055 49 T HA -0.047 4.303 4.350 0.000 0.000 0.265 49 T C 1.862 176.258 174.700 -0.508 0.000 1.111 49 T CA 0.750 62.655 62.100 -0.325 0.000 1.118 49 T CB -0.350 68.317 68.868 -0.336 0.000 0.909 49 T HN 0.204 nan 8.240 nan 0.000 0.501 50 I N 1.909 122.339 120.570 -0.233 0.000 2.406 50 I HA 0.151 4.321 4.170 0.000 0.000 0.249 50 I C 3.071 179.132 176.117 -0.094 0.000 1.122 50 I CA 0.819 62.044 61.300 -0.126 0.000 1.431 50 I CB -1.739 36.274 38.000 0.022 0.000 1.087 50 I HN 0.378 nan 8.210 nan 0.000 0.424 51 A N 1.155 123.946 122.820 -0.048 0.000 1.883 51 A HA -0.281 4.039 4.320 0.000 0.000 0.217 51 A C 2.311 179.818 177.584 -0.129 0.000 1.186 51 A CA 1.655 53.674 52.037 -0.029 0.000 0.624 51 A CB -1.200 17.895 19.000 0.158 0.000 0.822 51 A HN 0.379 nan 8.150 nan 0.000 0.444 52 F N -0.033 119.730 119.950 -0.313 0.000 2.095 52 F HA -0.205 4.322 4.527 0.000 0.000 0.298 52 F C 2.014 177.507 175.800 -0.512 0.000 1.104 52 F CA 1.771 59.511 58.000 -0.434 0.000 1.232 52 F CB -0.549 38.124 39.000 -0.544 0.000 0.987 52 F HN 0.267 nan 8.300 nan 0.000 0.475 53 F N 0.127 119.680 119.950 -0.661 0.000 2.126 53 F HA -0.230 4.297 4.527 0.000 0.000 0.299 53 F C 2.605 177.875 175.800 -0.883 0.000 1.096 53 F CA 0.548 57.987 58.000 -0.935 0.000 1.255 53 F CB -0.847 37.964 39.000 -0.316 0.000 0.997 53 F HN 0.153 nan 8.300 nan 0.000 0.479 54 A N 0.575 123.210 122.820 -0.308 0.000 1.854 54 A HA -0.092 4.228 4.320 0.000 0.000 0.214 54 A C 2.142 179.402 177.584 -0.539 0.000 1.192 54 A CA 1.102 52.952 52.037 -0.312 0.000 0.611 54 A CB -0.991 18.012 19.000 0.005 0.000 0.832 54 A HN 0.323 nan 8.150 nan 0.000 0.442 55 L N -0.789 120.179 121.223 -0.425 0.000 1.994 55 L HA -0.152 4.188 4.340 0.000 0.000 0.208 55 L C 2.906 179.491 176.870 -0.476 0.000 1.071 55 L CA 1.651 56.275 54.840 -0.359 0.000 0.745 55 L CB -0.609 41.302 42.059 -0.246 0.000 0.892 55 L HN 0.480 nan 8.230 nan 0.000 0.431 56 S N 0.005 115.258 115.700 -0.744 0.000 2.399 56 S HA -0.121 4.349 4.470 0.000 0.000 0.231 56 S C 1.989 176.273 174.600 -0.527 0.000 1.022 56 S CA 1.265 59.041 58.200 -0.707 0.000 0.983 56 S CB -0.424 61.996 63.200 -1.301 0.000 0.803 56 S HN 0.525 nan 8.310 nan 0.000 0.480 57 G N 1.538 109.841 108.800 -0.829 0.000 2.421 57 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 57 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 57 G C 1.418 175.976 174.900 -0.570 0.000 1.171 57 G CA 0.887 45.437 45.100 -0.917 0.000 0.775 57 G HN 0.508 nan 8.290 nan 0.000 0.543 58 L N 0.276 121.198 121.223 -0.502 0.000 2.017 58 L HA -0.067 4.273 4.340 0.000 0.000 0.208 58 L C 2.607 179.435 176.870 -0.071 0.000 1.073 58 L CA 1.525 56.297 54.840 -0.113 0.000 0.745 58 L CB -0.442 41.572 42.059 -0.075 0.000 0.894 58 L HN 0.208 nan 8.230 nan 0.000 0.432 59 D N -0.065 120.258 120.400 -0.129 0.000 2.158 59 D HA -0.280 4.360 4.640 0.000 0.000 0.197 59 D C 2.100 178.376 176.300 -0.039 0.000 0.995 59 D CA 1.403 55.358 54.000 -0.075 0.000 0.846 59 D CB 0.045 40.786 40.800 -0.098 0.000 0.941 59 D HN 0.046 nan 8.370 nan 0.000 0.456 60 M N -0.544 119.024 119.600 -0.054 0.000 2.296 60 M HA 0.085 4.565 4.480 0.000 0.000 0.265 60 M C 1.344 177.665 176.300 0.036 0.000 1.064 60 M CA 1.131 56.418 55.300 -0.021 0.000 1.109 60 M CB 0.071 32.640 32.600 -0.052 0.000 1.396 60 M HN 0.106 nan 8.290 nan 0.000 0.430 61 L N -1.190 120.080 121.223 0.079 0.000 2.607 61 L HA 0.131 4.471 4.340 0.000 0.000 0.228 61 L C 0.074 177.004 176.870 0.100 0.000 1.123 61 L CA -0.188 54.742 54.840 0.150 0.000 0.890 61 L CB -0.280 41.925 42.059 0.242 0.000 1.103 61 L HN 0.234 nan 8.230 nan 0.000 0.468 62 D N 0.775 121.208 120.400 0.055 0.000 2.927 62 D HA -0.201 4.439 4.640 0.000 0.000 0.236 62 D C 0.061 176.387 176.300 0.043 0.000 1.163 62 D CA 0.659 54.682 54.000 0.038 0.000 0.801 62 D CB -0.717 40.107 40.800 0.040 0.000 0.975 62 D HN 0.212 nan 8.370 nan 0.000 0.413 63 S N 0.716 116.439 115.700 0.037 0.000 3.093 63 S HA 0.162 4.632 4.470 0.000 0.000 0.251 63 S C 1.533 176.146 174.600 0.021 0.000 0.905 63 S CA -0.566 57.657 58.200 0.039 0.000 1.124 63 S CB 0.125 63.365 63.200 0.067 0.000 1.124 63 S HN 0.407 nan 8.310 nan 0.000 0.574 64 L N 2.274 123.499 121.223 0.004 0.000 2.265 64 L HA -0.154 4.186 4.340 0.000 0.000 0.215 64 L C 2.390 179.259 176.870 -0.002 0.000 1.117 64 L CA 1.463 56.297 54.840 -0.010 0.000 0.782 64 L CB -0.308 41.740 42.059 -0.018 0.000 0.914 64 L HN 0.535 nan 8.230 nan 0.000 0.441 65 D N 0.113 120.516 120.400 0.005 0.000 2.218 65 D HA -0.156 4.484 4.640 0.000 0.000 0.204 65 D C 1.667 177.970 176.300 0.004 0.000 0.976 65 D CA 1.461 55.465 54.000 0.006 0.000 0.853 65 D CB -0.416 40.388 40.800 0.008 0.000 0.939 65 D HN 0.402 nan 8.370 nan 0.000 0.481 66 V N -0.417 119.501 119.914 0.006 0.000 3.593 66 V HA 0.118 4.238 4.120 0.000 0.000 0.275 66 V C 0.638 176.729 176.094 -0.004 0.000 1.237 66 V CA 0.072 62.374 62.300 0.003 0.000 1.194 66 V CB -1.417 30.413 31.823 0.012 0.000 0.949 66 V HN 0.240 nan 8.190 nan 0.000 0.467 67 V N -2.904 117.006 119.914 -0.006 0.000 3.049 67 V HA 0.580 4.700 4.120 0.000 0.000 0.309 67 V C -0.351 175.739 176.094 -0.006 0.000 1.148 67 V CA -0.941 61.350 62.300 -0.014 0.000 0.990 67 V CB 1.933 33.743 31.823 -0.022 0.000 1.039 67 V HN 0.224 nan 8.190 nan 0.000 0.430 68 N N 2.425 121.121 118.700 -0.006 0.000 2.605 68 N HA 0.199 4.939 4.740 0.000 0.000 0.258 68 N C 0.957 176.482 175.510 0.024 0.000 1.156 68 N CA 0.074 53.129 53.050 0.008 0.000 1.008 68 N CB 0.645 39.136 38.487 0.007 0.000 1.354 68 N HN 0.831 nan 8.380 nan 0.000 0.509 69 K N 1.336 121.752 120.400 0.027 0.000 2.107 69 K HA -0.195 4.125 4.320 0.000 0.000 0.211 69 K C 0.731 177.374 176.600 0.071 0.000 1.049 69 K CA 1.576 57.889 56.287 0.042 0.000 0.927 69 K CB 0.193 32.714 32.500 0.036 0.000 0.714 69 K HN 0.524 nan 8.250 nan 0.000 0.452 70 D N 0.910 121.352 120.400 0.070 0.000 2.117 70 D HA -0.138 4.502 4.640 0.000 0.000 0.198 70 D C 1.579 177.952 176.300 0.121 0.000 0.982 70 D CA 1.087 55.142 54.000 0.092 0.000 0.828 70 D CB -0.207 40.636 40.800 0.072 0.000 0.967 70 D HN 0.202 nan 8.370 nan 0.000 0.464 71 D N 0.864 121.324 120.400 0.100 0.000 2.097 71 D HA -0.080 4.560 4.640 0.000 0.000 0.195 71 D C 2.391 178.804 176.300 0.188 0.000 0.989 71 D CA 0.435 54.509 54.000 0.122 0.000 0.827 71 D CB -0.184 40.653 40.800 0.062 0.000 0.966 71 D HN 0.274 nan 8.370 nan 0.000 0.456 72 I N 0.987 121.648 120.570 0.151 0.000 2.226 72 I HA -0.222 3.948 4.170 0.000 0.000 0.245 72 I C 2.471 178.759 176.117 0.285 0.000 1.100 72 I CA 0.709 62.137 61.300 0.214 0.000 1.374 72 I CB -0.185 37.886 38.000 0.117 0.000 1.057 72 I HN -0.041 nan 8.210 nan 0.000 0.413 73 I N 0.480 121.176 120.570 0.210 0.000 2.335 73 I HA -0.256 3.914 4.170 0.000 0.000 0.251 73 I C 2.492 178.799 176.117 0.316 0.000 1.129 73 I CA 1.190 62.621 61.300 0.219 0.000 1.402 73 I CB -0.394 37.738 38.000 0.220 0.000 1.069 73 I HN 0.280 nan 8.210 nan 0.000 0.424 74 E N -0.142 120.249 120.200 0.320 0.000 2.072 74 E HA -0.231 4.120 4.350 0.000 0.000 0.190 74 E C 1.724 178.527 176.600 0.339 0.000 0.982 74 E CA 1.022 57.625 56.400 0.338 0.000 0.803 74 E CB -0.363 29.545 29.700 0.345 0.000 0.755 74 E HN 0.591 nan 8.360 nan 0.000 0.453 75 W N 1.959 123.393 121.300 0.222 0.000 2.335 75 W HA -0.144 4.516 4.660 0.000 0.000 0.311 75 W C 1.986 178.559 176.519 0.091 0.000 1.213 75 W CA 1.470 58.940 57.345 0.209 0.000 1.274 75 W CB -0.526 29.037 29.460 0.171 0.000 1.148 75 W HN -0.070 nan 8.180 nan 0.000 0.498 76 I N -0.543 120.031 120.570 0.005 0.000 2.163 76 I HA -0.389 3.781 4.170 0.000 0.000 0.243 76 I C 2.171 178.181 176.117 -0.178 0.000 1.085 76 I CA 1.643 62.798 61.300 -0.242 0.000 1.347 76 I CB -0.931 36.991 38.000 -0.129 0.000 1.044 76 I HN -0.055 nan 8.210 nan 0.000 0.408 77 Y N 1.082 121.363 120.300 -0.032 0.000 2.403 77 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 77 Y C 2.907 178.638 175.900 -0.282 0.000 1.143 77 Y CA 1.397 59.450 58.100 -0.078 0.000 1.257 77 Y CB -0.551 37.881 38.460 -0.047 0.000 0.984 77 Y HN 0.283 nan 8.280 nan 0.000 0.550 78 S N -1.054 114.483 115.700 -0.271 0.000 2.515 78 S HA -0.058 4.412 4.470 0.000 0.000 0.231 78 S C 1.517 175.857 174.600 -0.433 0.000 0.987 78 S CA 0.617 58.503 58.200 -0.523 0.000 0.936 78 S CB -0.600 62.036 63.200 -0.939 0.000 0.766 78 S HN 0.487 nan 8.310 nan 0.000 0.528 79 L N 0.595 121.576 121.223 -0.405 0.000 2.592 79 L HA 0.276 4.616 4.340 0.000 0.000 0.227 79 L C 1.277 177.888 176.870 -0.431 0.000 1.127 79 L CA -0.032 54.593 54.840 -0.359 0.000 0.884 79 L CB -0.167 41.685 42.059 -0.345 0.000 1.065 79 L HN 0.414 nan 8.230 nan 0.000 0.457 80 Q N 1.209 120.612 119.800 -0.661 0.000 2.304 80 Q HA 0.197 4.537 4.340 0.000 0.000 0.260 80 Q C -0.725 174.940 176.000 -0.558 0.000 0.965 80 Q CA -0.232 54.928 55.803 -1.071 0.000 0.898 80 Q CB 1.482 29.540 28.738 -1.134 0.000 1.196 80 Q HN -0.035 nan 8.270 nan 0.000 0.402 81 V N 6.900 126.533 119.914 -0.467 0.000 2.339 81 V HA 0.184 4.304 4.120 0.000 0.000 0.261 81 V C 0.150 176.102 176.094 -0.236 0.000 1.058 81 V CA -0.175 61.961 62.300 -0.273 0.000 0.897 81 V CB 0.171 31.880 31.823 -0.190 0.000 1.052 81 V HN 0.737 nan 8.190 nan 0.000 0.480 82 L N 7.846 128.948 121.223 -0.202 0.000 2.421 82 L HA 0.500 4.840 4.340 0.000 0.000 0.263 82 L C -1.899 174.903 176.870 -0.112 0.000 1.122 82 L CA -1.860 52.888 54.840 -0.154 0.000 0.804 82 L CB 1.381 43.353 42.059 -0.143 0.000 1.150 82 L HN 0.376 nan 8.230 nan 0.000 0.457 83 P HA 0.082 nan 4.420 nan 0.000 0.275 83 P C -0.474 176.787 177.300 -0.066 0.000 1.227 83 P CA -0.364 62.693 63.100 -0.072 0.000 0.781 83 P CB 0.695 32.358 31.700 -0.063 0.000 0.906 84 T N -1.410 113.110 114.554 -0.057 0.000 2.698 84 T HA 0.244 4.594 4.350 0.000 0.000 0.295 84 T C 1.724 176.397 174.700 -0.045 0.000 1.007 84 T CA 0.376 62.446 62.100 -0.050 0.000 0.980 84 T CB -0.451 68.391 68.868 -0.044 0.000 1.036 84 T HN 0.434 nan 8.240 nan 0.000 0.526 85 E N 1.170 121.346 120.200 -0.040 0.000 2.021 85 E HA -0.242 4.108 4.350 0.000 0.000 0.200 85 E C 1.662 178.241 176.600 -0.035 0.000 1.015 85 E CA 1.967 58.345 56.400 -0.036 0.000 0.824 85 E CB -1.626 28.055 29.700 -0.032 0.000 0.762 85 E HN 0.965 nan 8.360 nan 0.000 0.454 86 D N -0.235 120.145 120.400 -0.033 0.000 2.378 86 D HA -0.132 4.508 4.640 0.000 0.000 0.222 86 D C 0.497 176.777 176.300 -0.033 0.000 0.980 86 D CA 0.678 54.659 54.000 -0.032 0.000 0.907 86 D CB -0.499 40.282 40.800 -0.030 0.000 0.899 86 D HN 0.546 nan 8.370 nan 0.000 0.527 87 R N -0.372 120.106 120.500 -0.037 0.000 3.627 87 R HA -0.166 4.174 4.340 0.000 0.000 0.281 87 R C 0.778 177.056 176.300 -0.037 0.000 1.140 87 R CA 0.870 56.946 56.100 -0.039 0.000 0.761 87 R CB -2.908 27.370 30.300 -0.037 0.000 1.181 87 R HN 0.477 nan 8.270 nan 0.000 0.472 88 S N 0.115 115.792 115.700 -0.037 0.000 2.593 88 S HA -0.042 4.428 4.470 0.000 0.000 0.217 88 S C 1.065 175.642 174.600 -0.040 0.000 0.966 88 S CA 0.398 58.576 58.200 -0.036 0.000 0.914 88 S CB 0.044 63.222 63.200 -0.036 0.000 0.776 88 S HN 0.548 nan 8.310 nan 0.000 0.523 89 N N 1.200 119.874 118.700 -0.043 0.000 2.389 89 N HA 0.203 4.943 4.740 0.000 0.000 0.260 89 N C 0.849 176.331 175.510 -0.046 0.000 1.191 89 N CA -0.359 52.664 53.050 -0.046 0.000 0.885 89 N CB -0.315 38.142 38.487 -0.050 0.000 1.162 89 N HN 0.331 nan 8.380 nan 0.000 0.512 90 L N 0.206 121.405 121.223 -0.041 0.000 2.083 90 L HA -0.104 4.237 4.340 0.000 0.000 0.209 90 L C 0.990 177.840 176.870 -0.034 0.000 1.083 90 L CA 1.259 56.075 54.840 -0.039 0.000 0.752 90 L CB -0.187 41.851 42.059 -0.034 0.000 0.899 90 L HN 0.095 nan 8.230 nan 0.000 0.433 91 D N 0.125 120.506 120.400 -0.031 0.000 2.392 91 D HA -0.100 4.540 4.640 0.000 0.000 0.228 91 D C 1.414 177.698 176.300 -0.028 0.000 1.003 91 D CA 0.790 54.775 54.000 -0.026 0.000 0.917 91 D CB 0.090 40.875 40.800 -0.025 0.000 0.890 91 D HN 0.430 nan 8.370 nan 0.000 0.532 92 R N -0.722 119.757 120.500 -0.035 0.000 2.565 92 R HA 0.215 4.555 4.340 0.000 0.000 0.347 92 R C 0.098 176.369 176.300 -0.047 0.000 1.010 92 R CA -0.240 55.837 56.100 -0.038 0.000 1.126 92 R CB 0.412 30.687 30.300 -0.041 0.000 1.331 92 R HN 0.003 nan 8.270 nan 0.000 0.552 93 C N 0.860 120.130 119.300 -0.049 0.000 2.534 93 C HA 0.794 5.254 4.460 0.000 0.000 0.385 93 C C 1.369 176.334 174.990 -0.042 0.000 1.264 93 C CA 0.268 59.246 59.018 -0.067 0.000 2.342 93 C CB 0.987 28.684 27.740 -0.072 0.000 2.564 93 C HN 0.786 nan 8.230 nan 0.000 0.603 94 G N 0.829 109.591 108.800 -0.063 0.000 2.470 94 G HA2 0.308 4.268 3.960 0.000 0.000 0.145 94 G HA3 0.308 4.268 3.960 0.000 0.000 0.145 94 G C -1.633 173.260 174.900 -0.011 0.000 1.223 94 G CA -0.430 44.708 45.100 0.064 0.000 1.058 94 G HN 0.412 nan 8.290 nan 0.000 0.469 95 F N 1.122 121.023 119.950 -0.082 0.000 2.593 95 F HA 0.786 5.313 4.527 0.000 0.000 0.320 95 F C 0.827 176.579 175.800 -0.080 0.000 1.060 95 F CA -0.745 57.188 58.000 -0.111 0.000 0.940 95 F CB 2.077 40.986 39.000 -0.152 0.000 1.268 95 F HN 0.371 nan 8.300 nan 0.000 0.475 96 R N -0.101 120.424 120.500 0.043 0.000 2.596 96 R HA 0.490 4.830 4.340 0.000 0.000 0.267 96 R C 0.948 177.268 176.300 0.034 0.000 1.026 96 R CA -0.366 55.753 56.100 0.031 0.000 1.087 96 R CB 0.766 31.032 30.300 -0.057 0.000 1.132 96 R HN 0.903 nan 8.270 nan 0.000 0.531 97 G N -0.107 108.739 108.800 0.077 0.000 2.464 97 G HA2 -0.099 3.861 3.960 0.000 0.000 0.217 97 G HA3 -0.099 3.861 3.960 0.000 0.000 0.217 97 G C 0.312 175.253 174.900 0.068 0.000 1.138 97 G CA 0.879 45.993 45.100 0.024 0.000 0.793 97 G HN 0.626 nan 8.290 nan 0.000 0.539 98 S N -1.919 113.871 115.700 0.150 0.000 2.694 98 S HA 0.349 4.819 4.470 0.000 0.000 0.273 98 S C 0.421 175.103 174.600 0.136 0.000 1.180 98 S CA 0.499 58.810 58.200 0.184 0.000 0.864 98 S CB 0.747 64.126 63.200 0.298 0.000 1.198 98 S HN 0.486 nan 8.310 nan 0.000 0.499 99 S N 0.179 115.970 115.700 0.151 0.000 2.614 99 S HA 0.115 4.585 4.470 0.000 0.000 0.230 99 S C 1.358 175.961 174.600 0.005 0.000 0.952 99 S CA 0.201 58.423 58.200 0.036 0.000 0.949 99 S CB -1.327 61.942 63.200 0.114 0.000 0.786 99 S HN 1.017 nan 8.310 nan 0.000 0.478 100 Y N 0.836 121.159 120.300 0.039 0.000 2.446 100 Y HA 0.012 4.562 4.550 0.000 0.000 0.287 100 Y C 1.457 177.369 175.900 0.021 0.000 1.159 100 Y CA 0.465 58.586 58.100 0.035 0.000 1.297 100 Y CB -0.711 37.767 38.460 0.029 0.000 0.974 100 Y HN 0.301 nan 8.280 nan 0.000 0.557 101 L N 0.424 121.257 121.223 -0.650 0.000 2.395 101 L HA 0.154 4.494 4.340 0.000 0.000 0.218 101 L C 1.737 178.525 176.870 -0.137 0.000 1.130 101 L CA 1.008 55.585 54.840 -0.439 0.000 0.826 101 L CB -0.651 41.032 42.059 -0.627 0.000 0.941 101 L HN 0.673 nan 8.230 nan 0.000 0.451 102 G N 0.941 109.688 108.800 -0.089 0.000 2.142 102 G HA2 -0.247 3.713 3.960 0.000 0.000 0.225 102 G HA3 -0.247 3.713 3.960 0.000 0.000 0.225 102 G C 0.134 175.045 174.900 0.019 0.000 1.015 102 G CA -0.318 44.785 45.100 0.005 0.000 0.716 102 G HN 0.255 nan 8.290 nan 0.000 0.508 103 I N 2.244 122.797 120.570 -0.028 0.000 2.474 103 I HA 0.235 4.405 4.170 0.000 0.000 0.287 103 I C -0.991 175.137 176.117 0.018 0.000 1.048 103 I CA -1.906 59.391 61.300 -0.006 0.000 1.383 103 I CB 0.859 38.817 38.000 -0.070 0.000 1.412 103 I HN 0.002 nan 8.210 nan 0.000 0.531 104 P HA -0.089 nan 4.420 nan 0.000 0.260 104 P C -0.381 176.976 177.300 0.095 0.000 1.185 104 P CA -0.031 63.114 63.100 0.076 0.000 0.763 104 P CB 0.150 31.885 31.700 0.057 0.000 0.776 105 F N 4.075 124.028 119.950 0.004 0.000 2.512 105 F HA -0.085 4.442 4.527 0.000 0.000 0.406 105 F C 0.467 176.267 175.800 0.000 0.000 0.990 105 F CA 0.817 58.823 58.000 0.009 0.000 1.137 105 F CB -0.050 38.972 39.000 0.038 0.000 0.960 105 F HN 0.363 nan 8.300 nan 0.000 0.533 106 N N 7.752 126.175 118.700 -0.462 0.000 2.621 106 N HA 0.302 5.042 4.740 0.000 0.000 0.271 106 N C -2.856 172.397 175.510 -0.429 0.000 1.181 106 N CA -1.838 51.033 53.050 -0.299 0.000 0.805 106 N CB 1.390 39.788 38.487 -0.148 0.000 1.351 106 N HN 0.151 nan 8.380 nan 0.000 0.539 107 P HA 0.061 nan 4.420 nan 0.000 0.235 107 P C -0.669 176.539 177.300 -0.152 0.000 1.720 107 P CA 0.207 63.162 63.100 -0.241 0.000 1.003 107 P CB -0.556 31.107 31.700 -0.063 0.000 1.968 108 S N -0.913 114.689 115.700 -0.164 0.000 3.549 108 S HA -0.238 4.232 4.470 0.000 0.000 0.366 108 S C 1.466 175.968 174.600 -0.163 0.000 1.012 108 S CA 1.664 59.772 58.200 -0.154 0.000 1.141 108 S CB -1.666 61.462 63.200 -0.120 0.000 0.910 108 S HN 0.722 nan 8.310 nan 0.000 0.471 109 K N -0.575 119.747 120.400 -0.129 0.000 2.172 109 K HA 0.417 4.737 4.320 0.000 0.000 0.203 109 K C 0.694 177.246 176.600 -0.079 0.000 1.040 109 K CA 1.360 57.589 56.287 -0.097 0.000 0.974 109 K CB -0.984 31.481 32.500 -0.059 0.000 0.857 109 K HN 0.965 nan 8.250 nan 0.000 0.464 110 N N 0.284 118.940 118.700 -0.072 0.000 2.502 110 N HA 0.660 5.400 4.740 0.000 0.000 0.280 110 N C -1.564 173.903 175.510 -0.071 0.000 1.223 110 N CA -0.907 52.107 53.050 -0.060 0.000 0.966 110 N CB 0.283 38.744 38.487 -0.043 0.000 1.203 110 N HN 0.567 nan 8.380 nan 0.000 0.565 111 P HA 0.525 nan 4.420 nan 0.000 0.271 111 P C 0.687 177.946 177.300 -0.068 0.000 1.244 111 P CA 0.648 63.710 63.100 -0.064 0.000 0.793 111 P CB -0.036 31.634 31.700 -0.051 0.000 0.984 112 G N 0.281 109.038 108.800 -0.073 0.000 2.378 112 G HA2 0.459 4.419 3.960 0.000 0.000 0.255 112 G HA3 0.459 4.419 3.960 0.000 0.000 0.255 112 G C 0.437 175.304 174.900 -0.054 0.000 1.270 112 G CA 0.770 45.825 45.100 -0.075 0.000 0.876 112 G HN 0.769 nan 8.290 nan 0.000 0.521 113 T N 0.323 114.848 114.554 -0.047 0.000 2.723 113 T HA 0.593 4.943 4.350 0.000 0.000 0.297 113 T C 0.726 175.423 174.700 -0.005 0.000 0.925 113 T CA -0.135 61.950 62.100 -0.024 0.000 1.030 113 T CB 1.275 70.134 68.868 -0.014 0.000 0.905 113 T HN 0.997 nan 8.240 nan 0.000 0.502 114 A N 3.185 125.998 122.820 -0.010 0.000 2.586 114 A HA 0.301 4.621 4.320 0.000 0.000 0.231 114 A C 0.374 177.987 177.584 0.047 0.000 1.055 114 A CA 0.133 52.169 52.037 -0.002 0.000 0.756 114 A CB -0.195 18.789 19.000 -0.028 0.000 0.988 114 A HN 1.089 nan 8.150 nan 0.000 0.509 115 H N 3.454 122.485 119.070 -0.066 0.000 3.163 115 H HA 0.220 4.776 4.556 0.000 0.000 0.322 115 H C -2.324 172.947 175.328 -0.095 0.000 1.047 115 H CA -0.924 55.092 56.048 -0.054 0.000 1.418 115 H CB 1.775 31.513 29.762 -0.040 0.000 2.016 115 H HN 0.440 nan 8.280 nan 0.000 0.454 116 P HA -0.154 nan 4.420 nan 0.000 0.218 116 P C 0.152 177.172 177.300 -0.466 0.000 1.146 116 P CA 1.427 64.370 63.100 -0.262 0.000 0.820 116 P CB 0.240 31.718 31.700 -0.371 0.000 0.778 117 Y N -1.493 119.020 120.300 0.354 0.000 2.675 117 Y HA 0.316 4.866 4.550 0.000 0.000 0.248 117 Y C 0.277 176.139 175.900 -0.065 0.000 1.161 117 Y CA -1.057 57.116 58.100 0.122 0.000 1.203 117 Y CB 0.085 38.626 38.460 0.135 0.000 1.262 117 Y HN -0.108 nan 8.280 nan 0.000 0.544 118 D N 1.471 121.836 120.400 -0.059 0.000 2.249 118 D HA 0.511 5.151 4.640 0.000 0.000 0.246 118 D C -0.309 175.939 176.300 -0.087 0.000 1.114 118 D CA 0.172 54.054 54.000 -0.198 0.000 0.854 118 D CB 0.755 41.370 40.800 -0.308 0.000 1.132 118 D HN 0.144 nan 8.370 nan 0.000 0.461 119 S N 1.415 117.076 115.700 -0.066 0.000 2.595 119 S HA 0.685 5.156 4.470 0.000 0.000 0.270 119 S C 0.145 174.736 174.600 -0.014 0.000 1.145 119 S CA -0.912 57.263 58.200 -0.041 0.000 0.825 119 S CB 0.715 63.906 63.200 -0.016 0.000 1.107 119 S HN 0.490 nan 8.310 nan 0.000 0.461 120 G N 0.141 108.933 108.800 -0.014 0.000 2.651 120 G HA2 0.467 4.427 3.960 0.000 0.000 0.260 120 G HA3 0.467 4.427 3.960 0.000 0.000 0.260 120 G C -0.686 174.256 174.900 0.070 0.000 1.216 120 G CA -0.249 44.869 45.100 0.031 0.000 0.913 120 G HN 0.876 nan 8.290 nan 0.000 0.535 121 H N 0.750 119.814 119.070 -0.009 0.000 2.658 121 H HA 0.216 4.772 4.556 0.000 0.000 0.337 121 H C 1.085 176.370 175.328 -0.071 0.000 1.009 121 H CA -0.699 55.317 56.048 -0.054 0.000 1.231 121 H CB 1.758 31.505 29.762 -0.026 0.000 1.508 121 H HN 0.385 nan 8.280 nan 0.000 0.517 122 I N 4.018 124.407 120.570 -0.302 0.000 2.236 122 I HA -0.335 3.835 4.170 0.000 0.000 0.249 122 I C 1.905 178.032 176.117 0.016 0.000 1.102 122 I CA 1.894 63.082 61.300 -0.187 0.000 1.365 122 I CB -0.033 37.762 38.000 -0.341 0.000 1.051 122 I HN 0.698 nan 8.210 nan 0.000 0.420 123 A N -0.147 122.799 122.820 0.210 0.000 2.014 123 A HA -0.132 4.188 4.320 0.000 0.000 0.218 123 A C 2.123 179.812 177.584 0.175 0.000 1.163 123 A CA 1.099 53.339 52.037 0.339 0.000 0.652 123 A CB -0.281 19.006 19.000 0.477 0.000 0.808 123 A HN 0.406 nan 8.150 nan 0.000 0.449 124 M N -0.615 119.088 119.600 0.171 0.000 2.236 124 M HA -0.024 4.456 4.480 0.000 0.000 0.266 124 M C 2.086 178.332 176.300 -0.091 0.000 1.070 124 M CA 1.692 56.995 55.300 0.004 0.000 1.137 124 M CB -2.005 30.632 32.600 0.062 0.000 1.378 124 M HN 0.345 nan 8.290 nan 0.000 0.426 125 T N 0.473 115.027 114.554 0.000 0.000 2.746 125 T HA -0.179 4.171 4.350 0.000 0.000 0.267 125 T C 1.691 176.259 174.700 -0.221 0.000 1.039 125 T CA 1.574 63.624 62.100 -0.084 0.000 1.142 125 T CB -0.521 68.377 68.868 0.050 0.000 0.866 125 T HN 0.355 nan 8.240 nan 0.000 0.444 126 Y N 3.112 123.277 120.300 -0.225 0.000 2.049 126 Y HA -0.233 4.317 4.550 0.000 0.000 0.277 126 Y C 2.698 178.389 175.900 -0.349 0.000 1.143 126 Y CA 2.015 59.956 58.100 -0.265 0.000 1.115 126 Y CB -1.344 36.983 38.460 -0.221 0.000 0.975 126 Y HN 0.309 nan 8.280 nan 0.000 0.487 127 T N -1.800 112.184 114.554 -0.950 0.000 2.881 127 T HA -0.065 4.285 4.350 0.000 0.000 0.270 127 T C 2.188 176.512 174.700 -0.627 0.000 1.068 127 T CA 1.147 62.594 62.100 -1.089 0.000 1.131 127 T CB -1.404 66.977 68.868 -0.812 0.000 0.871 127 T HN 0.471 nan 8.240 nan 0.000 0.479 128 G N 2.054 110.500 108.800 -0.590 0.000 2.484 128 G HA2 -0.053 3.907 3.960 0.000 0.000 0.215 128 G HA3 -0.053 3.907 3.960 0.000 0.000 0.215 128 G C 1.481 175.968 174.900 -0.688 0.000 1.219 128 G CA 0.754 45.420 45.100 -0.723 0.000 0.791 128 G HN 0.508 nan 8.290 nan 0.000 0.550 129 L N 0.593 121.403 121.223 -0.689 0.000 2.042 129 L HA -0.128 4.212 4.340 0.000 0.000 0.210 129 L C 3.099 179.827 176.870 -0.237 0.000 1.076 129 L CA 1.340 55.939 54.840 -0.402 0.000 0.749 129 L CB -0.540 41.370 42.059 -0.248 0.000 0.893 129 L HN 0.334 nan 8.230 nan 0.000 0.432 130 S N -0.904 114.633 115.700 -0.271 0.000 2.359 130 S HA -0.236 4.234 4.470 0.000 0.000 0.224 130 S C 2.195 176.762 174.600 -0.055 0.000 1.035 130 S CA 1.689 59.797 58.200 -0.153 0.000 1.018 130 S CB -0.323 62.638 63.200 -0.397 0.000 0.876 130 S HN 0.505 nan 8.310 nan 0.000 0.448 131 C N 1.029 120.268 119.300 -0.101 0.000 2.432 131 C HA 0.032 4.492 4.460 0.000 0.000 0.277 131 C C 2.540 177.486 174.990 -0.073 0.000 1.249 131 C CA 0.701 59.687 59.018 -0.052 0.000 1.725 131 C CB -1.589 26.111 27.740 -0.067 0.000 2.028 131 C HN 0.591 nan 8.230 nan 0.000 0.477 132 L N 0.425 121.567 121.223 -0.135 0.000 2.013 132 L HA -0.223 4.117 4.340 0.000 0.000 0.212 132 L C 2.397 179.255 176.870 -0.021 0.000 1.073 132 L CA 1.764 56.545 54.840 -0.098 0.000 0.753 132 L CB -0.613 41.342 42.059 -0.174 0.000 0.890 132 L HN 0.377 nan 8.230 nan 0.000 0.432 133 I N -0.248 120.312 120.570 -0.017 0.000 2.163 133 I HA -0.331 3.839 4.170 0.000 0.000 0.243 133 I C 2.447 178.566 176.117 0.003 0.000 1.085 133 I CA 1.525 62.830 61.300 0.008 0.000 1.347 133 I CB -0.282 37.726 38.000 0.014 0.000 1.044 133 I HN 0.203 nan 8.210 nan 0.000 0.408 134 I N 0.538 121.106 120.570 -0.004 0.000 2.264 134 I HA -0.291 3.879 4.170 0.000 0.000 0.248 134 I C 2.149 178.256 176.117 -0.016 0.000 1.111 134 I CA 1.487 62.778 61.300 -0.016 0.000 1.382 134 I CB -0.253 37.720 38.000 -0.046 0.000 1.060 134 I HN 0.243 nan 8.210 nan 0.000 0.418 135 L N 0.168 121.387 121.223 -0.007 0.000 2.599 135 L HA 0.120 4.460 4.340 0.000 0.000 0.230 135 L C 1.664 178.550 176.870 0.026 0.000 1.141 135 L CA 0.682 55.527 54.840 0.009 0.000 0.877 135 L CB -0.258 41.815 42.059 0.022 0.000 1.009 135 L HN 0.525 nan 8.230 nan 0.000 0.447 136 G N -0.682 108.134 108.800 0.025 0.000 2.213 136 G HA2 -0.269 3.691 3.960 0.000 0.000 0.236 136 G HA3 -0.269 3.691 3.960 0.000 0.000 0.236 136 G C 0.277 175.213 174.900 0.059 0.000 0.991 136 G CA 0.110 45.230 45.100 0.033 0.000 0.629 136 G HN 0.380 nan 8.290 nan 0.000 0.517 137 D N 1.167 121.618 120.400 0.084 0.000 2.390 137 D HA 0.222 4.862 4.640 0.000 0.000 0.236 137 D C 1.055 177.442 176.300 0.143 0.000 1.189 137 D CA 0.808 54.890 54.000 0.137 0.000 0.887 137 D CB 0.641 41.555 40.800 0.190 0.000 1.198 137 D HN 0.321 nan 8.370 nan 0.000 0.444 138 D N 1.503 122.014 120.400 0.184 0.000 2.363 138 D HA -0.001 4.639 4.640 0.000 0.000 0.214 138 D C 1.141 177.646 176.300 0.342 0.000 1.093 138 D CA -0.308 53.830 54.000 0.229 0.000 0.837 138 D CB -0.135 40.789 40.800 0.208 0.000 0.948 138 D HN 0.274 nan 8.370 nan 0.000 0.507 139 L N 0.347 121.759 121.223 0.315 0.000 4.429 139 L HA -0.293 4.047 4.340 0.000 0.000 0.422 139 L C 1.792 178.796 176.870 0.223 0.000 1.149 139 L CA 1.025 56.058 54.840 0.321 0.000 0.972 139 L CB -2.924 39.342 42.059 0.345 0.000 2.059 139 L HN 0.288 nan 8.230 nan 0.000 0.870 140 S N -0.977 114.829 115.700 0.176 0.000 2.399 140 S HA -0.132 4.338 4.470 0.000 0.000 0.231 140 S C 1.655 176.254 174.600 -0.002 0.000 1.022 140 S CA 1.293 59.525 58.200 0.053 0.000 0.983 140 S CB -0.246 62.980 63.200 0.043 0.000 0.803 140 S HN 0.670 nan 8.310 nan 0.000 0.480 141 R N 0.800 121.292 120.500 -0.014 0.000 2.320 141 R HA 0.304 4.644 4.340 0.000 0.000 0.211 141 R C -0.570 175.792 176.300 0.102 0.000 0.931 141 R CA -0.050 55.959 56.100 -0.152 0.000 1.071 141 R CB 0.038 29.890 30.300 -0.746 0.000 1.025 141 R HN 0.259 nan 8.270 nan 0.000 0.495 142 V N 2.070 122.121 119.914 0.228 0.000 2.406 142 V HA 0.010 4.130 4.120 0.000 0.000 0.272 142 V C 0.216 176.344 176.094 0.057 0.000 1.043 142 V CA -0.643 61.796 62.300 0.231 0.000 0.915 142 V CB 1.324 33.295 31.823 0.247 0.000 0.988 142 V HN 0.085 nan 8.190 nan 0.000 0.466 143 D N 4.877 125.288 120.400 0.018 0.000 2.545 143 D HA 0.072 4.712 4.640 0.000 0.000 0.227 143 D C 1.339 177.619 176.300 -0.034 0.000 1.150 143 D CA 0.081 54.060 54.000 -0.035 0.000 1.046 143 D CB 0.371 41.138 40.800 -0.056 0.000 1.098 143 D HN 0.525 nan 8.370 nan 0.000 0.502 144 K N 1.204 121.570 120.400 -0.057 0.000 2.059 144 K HA -0.205 4.115 4.320 0.000 0.000 0.212 144 K C 1.518 178.079 176.600 -0.065 0.000 1.050 144 K CA 1.068 57.310 56.287 -0.073 0.000 0.927 144 K CB 0.215 32.623 32.500 -0.153 0.000 0.714 144 K HN 0.297 nan 8.250 nan 0.000 0.447 145 E N 0.400 120.557 120.200 -0.071 0.000 2.110 145 E HA -0.144 4.206 4.350 0.000 0.000 0.193 145 E C 2.054 178.629 176.600 -0.043 0.000 0.988 145 E CA 1.210 57.576 56.400 -0.056 0.000 0.804 145 E CB -0.237 29.429 29.700 -0.057 0.000 0.745 145 E HN 0.359 nan 8.360 nan 0.000 0.458 146 A N 0.694 123.487 122.820 -0.044 0.000 1.898 146 A HA -0.181 4.139 4.320 0.000 0.000 0.216 146 A C 2.653 180.219 177.584 -0.029 0.000 1.181 146 A CA 1.409 53.422 52.037 -0.041 0.000 0.620 146 A CB -0.930 18.038 19.000 -0.054 0.000 0.819 146 A HN 0.343 nan 8.150 nan 0.000 0.442 147 C N -0.632 118.657 119.300 -0.017 0.000 2.413 147 C HA -0.092 4.369 4.460 0.000 0.000 0.277 147 C C 2.647 177.631 174.990 -0.010 0.000 1.228 147 C CA 1.105 60.126 59.018 0.005 0.000 1.731 147 C CB -1.545 26.219 27.740 0.041 0.000 2.042 147 C HN 0.631 nan 8.230 nan 0.000 0.468 148 L N 1.002 122.211 121.223 -0.024 0.000 2.127 148 L HA -0.170 4.170 4.340 0.000 0.000 0.211 148 L C 2.844 179.711 176.870 -0.005 0.000 1.089 148 L CA 1.556 56.382 54.840 -0.024 0.000 0.757 148 L CB -0.795 41.243 42.059 -0.036 0.000 0.899 148 L HN 0.371 nan 8.230 nan 0.000 0.434 149 A N 0.370 123.184 122.820 -0.011 0.000 1.898 149 A HA -0.090 4.231 4.320 0.000 0.000 0.216 149 A C 2.424 180.007 177.584 -0.002 0.000 1.181 149 A CA 1.642 53.674 52.037 -0.008 0.000 0.620 149 A CB -1.144 17.845 19.000 -0.019 0.000 0.819 149 A HN 0.424 nan 8.150 nan 0.000 0.442 150 G N -0.460 108.336 108.800 -0.006 0.000 2.402 150 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 150 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 150 G C 1.585 176.495 174.900 0.017 0.000 1.162 150 G CA 0.877 45.974 45.100 -0.004 0.000 0.777 150 G HN 0.402 nan 8.290 nan 0.000 0.539 151 L N -0.110 121.129 121.223 0.026 0.000 1.989 151 L HA -0.089 4.251 4.340 0.000 0.000 0.211 151 L C 3.246 180.215 176.870 0.164 0.000 1.071 151 L CA 1.324 56.206 54.840 0.070 0.000 0.749 151 L CB -0.263 41.810 42.059 0.022 0.000 0.890 151 L HN 0.196 nan 8.230 nan 0.000 0.431 152 R N -0.506 120.061 120.500 0.111 0.000 2.117 152 R HA -0.218 4.122 4.340 0.000 0.000 0.243 152 R C 2.185 178.508 176.300 0.039 0.000 1.143 152 R CA 1.444 57.599 56.100 0.093 0.000 0.968 152 R CB -0.535 29.793 30.300 0.047 0.000 0.863 152 R HN 0.454 nan 8.270 nan 0.000 0.444 153 A N 0.808 123.644 122.820 0.026 0.000 2.070 153 A HA -0.095 4.225 4.320 0.000 0.000 0.220 153 A C 2.032 179.610 177.584 -0.010 0.000 1.159 153 A CA 1.073 53.108 52.037 -0.003 0.000 0.656 153 A CB -0.314 18.682 19.000 -0.007 0.000 0.800 153 A HN 0.203 nan 8.150 nan 0.000 0.453 154 L N -1.116 120.130 121.223 0.038 0.000 2.341 154 L HA 0.024 4.364 4.340 0.000 0.000 0.214 154 L C 1.475 178.297 176.870 -0.082 0.000 1.115 154 L CA 0.067 54.936 54.840 0.049 0.000 0.820 154 L CB -0.249 41.909 42.059 0.165 0.000 0.944 154 L HN 0.500 nan 8.230 nan 0.000 0.452 155 Q N 1.389 120.997 119.800 -0.321 0.000 2.332 155 Q HA 0.268 4.608 4.340 0.000 0.000 0.263 155 Q C -0.589 175.149 176.000 -0.437 0.000 0.979 155 Q CA -0.019 55.255 55.803 -0.881 0.000 0.885 155 Q CB 0.847 28.927 28.738 -1.097 0.000 1.218 155 Q HN 0.235 nan 8.270 nan 0.000 0.405 156 L N 2.455 123.433 121.223 -0.408 0.000 2.416 156 L HA 0.314 4.654 4.340 0.000 0.000 0.263 156 L C 1.791 178.550 176.870 -0.184 0.000 1.065 156 L CA 0.021 54.729 54.840 -0.221 0.000 0.798 156 L CB 0.480 42.441 42.059 -0.162 0.000 1.267 156 L HN 0.888 nan 8.230 nan 0.000 0.467 157 E N 0.692 120.829 120.200 -0.105 0.000 2.118 157 E HA -0.257 4.093 4.350 0.000 0.000 0.195 157 E C 1.303 177.874 176.600 -0.049 0.000 0.992 157 E CA 1.632 57.991 56.400 -0.068 0.000 0.804 157 E CB -0.814 28.864 29.700 -0.037 0.000 0.741 157 E HN 0.875 nan 8.360 nan 0.000 0.458 158 D N -1.962 118.417 120.400 -0.034 0.000 2.363 158 D HA 0.226 4.866 4.640 0.000 0.000 0.226 158 D C 1.510 177.839 176.300 0.047 0.000 1.020 158 D CA 1.257 55.282 54.000 0.042 0.000 0.892 158 D CB 0.034 40.908 40.800 0.124 0.000 0.900 158 D HN 0.838 nan 8.370 nan 0.000 0.531 159 G N -0.162 108.575 108.800 -0.105 0.000 2.279 159 G HA2 -0.286 3.674 3.960 0.000 0.000 0.223 159 G HA3 -0.286 3.674 3.960 0.000 0.000 0.223 159 G C 0.564 175.257 174.900 -0.345 0.000 1.015 159 G CA 0.385 45.404 45.100 -0.137 0.000 0.621 159 G HN 0.814 nan 8.290 nan 0.000 0.506 160 S N 0.026 115.370 115.700 -0.592 0.000 2.641 160 S HA 0.802 5.272 4.470 0.000 0.000 0.261 160 S C -0.128 174.223 174.600 -0.415 0.000 1.257 160 S CA -0.177 57.627 58.200 -0.660 0.000 0.983 160 S CB 1.156 63.668 63.200 -1.147 0.000 0.990 160 S HN 0.587 nan 8.310 nan 0.000 0.572 161 F N -1.444 118.422 119.950 -0.140 0.000 2.611 161 F HA 0.606 5.133 4.527 0.000 0.000 0.324 161 F C 0.331 176.188 175.800 0.096 0.000 1.061 161 F CA -1.080 56.910 58.000 -0.017 0.000 0.954 161 F CB 1.373 40.382 39.000 0.015 0.000 1.301 161 F HN 0.664 nan 8.300 nan 0.000 0.482 162 C N 0.316 119.728 119.300 0.187 0.000 2.354 162 C HA 0.711 5.171 4.460 0.000 0.000 0.381 162 C C 1.449 176.233 174.990 -0.342 0.000 1.240 162 C CA -0.035 59.011 59.018 0.047 0.000 2.089 162 C CB 1.360 29.094 27.740 -0.010 0.000 2.234 162 C HN 0.967 nan 8.230 nan 0.000 0.544 163 A N 0.222 122.618 122.820 -0.707 0.000 1.997 163 A HA 0.396 4.716 4.320 0.000 0.000 0.212 163 A C 0.576 177.745 177.584 -0.693 0.000 1.178 163 A CA 1.099 52.420 52.037 -1.193 0.000 0.698 163 A CB -0.159 17.860 19.000 -1.635 0.000 0.842 163 A HN 1.284 nan 8.150 nan 0.000 0.458 164 V N -4.740 114.963 119.914 -0.351 0.000 2.925 164 V HA 0.506 4.627 4.120 0.000 0.000 0.311 164 V C -2.374 173.674 176.094 -0.076 0.000 1.104 164 V CA -1.651 60.553 62.300 -0.161 0.000 0.954 164 V CB 1.853 33.646 31.823 -0.049 0.000 1.022 164 V HN 0.065 nan 8.190 nan 0.000 0.427 165 P HA -0.118 nan 4.420 nan 0.000 0.219 165 P C 0.928 178.228 177.300 -0.001 0.000 1.146 165 P CA 1.368 64.455 63.100 -0.022 0.000 0.808 165 P CB 0.424 32.113 31.700 -0.019 0.000 0.779 166 E N -0.268 119.945 120.200 0.021 0.000 2.418 166 E HA 0.233 4.583 4.350 0.000 0.000 0.197 166 E C 1.041 177.667 176.600 0.043 0.000 1.026 166 E CA 0.794 57.224 56.400 0.050 0.000 0.862 166 E CB -0.586 29.173 29.700 0.100 0.000 0.799 166 E HN 0.352 nan 8.360 nan 0.000 0.518 167 G N -0.395 108.419 108.800 0.023 0.000 2.640 167 G HA2 0.204 4.164 3.960 0.000 0.000 0.686 167 G HA3 0.204 4.164 3.960 0.000 0.000 0.686 167 G C -0.327 174.595 174.900 0.037 0.000 1.229 167 G CA -0.490 44.625 45.100 0.026 0.000 0.796 167 G HN 0.601 nan 8.290 nan 0.000 0.654 168 S N -0.353 115.376 115.700 0.048 0.000 2.669 168 S HA 0.731 5.201 4.470 0.000 0.000 0.266 168 S C -0.406 174.269 174.600 0.124 0.000 1.149 168 S CA 0.107 58.359 58.200 0.087 0.000 0.842 168 S CB 1.417 64.660 63.200 0.073 0.000 1.160 168 S HN 2.078 nan 8.310 nan 0.000 0.487 169 E N 1.347 121.653 120.200 0.176 0.000 2.392 169 E HA 0.291 4.641 4.350 0.000 0.000 0.256 169 E C -0.806 175.941 176.600 0.244 0.000 1.145 169 E CA -0.396 56.103 56.400 0.166 0.000 0.929 169 E CB 0.090 29.873 29.700 0.140 0.000 0.998 169 E HN 0.760 nan 8.360 nan 0.000 0.442 170 N N 0.663 119.459 118.700 0.159 0.000 2.249 170 N HA 0.402 5.142 4.740 0.000 0.000 0.296 170 N C -1.354 174.191 175.510 0.057 0.000 1.051 170 N CA -0.545 52.605 53.050 0.167 0.000 0.815 170 N CB 2.127 40.665 38.487 0.085 0.000 1.487 170 N HN 0.621 nan 8.380 nan 0.000 0.475 171 D N -0.145 120.249 120.400 -0.011 0.000 2.809 171 D HA 0.095 4.735 4.640 0.000 0.000 0.336 171 D C 0.571 176.864 176.300 -0.013 0.000 1.367 171 D CA -0.647 53.351 54.000 -0.002 0.000 0.815 171 D CB 0.389 41.153 40.800 -0.060 0.000 1.381 171 D HN 0.217 nan 8.370 nan 0.000 0.471 172 M N 0.129 119.800 119.600 0.119 0.000 2.195 172 M HA 0.011 4.491 4.480 0.000 0.000 0.260 172 M C 1.839 178.150 176.300 0.020 0.000 1.066 172 M CA 1.818 57.199 55.300 0.134 0.000 1.089 172 M CB -0.437 32.227 32.600 0.105 0.000 1.377 172 M HN 0.467 nan 8.290 nan 0.000 0.411 173 R N -1.306 119.098 120.500 -0.160 0.000 2.096 173 R HA -0.182 4.158 4.340 0.000 0.000 0.240 173 R C 2.077 178.394 176.300 0.028 0.000 1.139 173 R CA 2.118 58.115 56.100 -0.172 0.000 0.952 173 R CB -0.754 29.256 30.300 -0.482 0.000 0.854 173 R HN 0.433 nan 8.270 nan 0.000 0.436 174 F N -0.359 119.635 119.950 0.075 0.000 2.558 174 F HA -0.070 4.457 4.527 0.000 0.000 0.298 174 F C 2.214 177.950 175.800 -0.108 0.000 1.119 174 F CA -0.189 57.813 58.000 0.002 0.000 1.451 174 F CB 0.052 39.072 39.000 0.034 0.000 1.091 174 F HN -0.159 nan 8.300 nan 0.000 0.563 175 V N -0.466 119.539 119.914 0.151 0.000 2.453 175 V HA -0.309 3.811 4.120 0.000 0.000 0.247 175 V C 1.994 178.081 176.094 -0.012 0.000 1.048 175 V CA 1.649 63.999 62.300 0.084 0.000 1.049 175 V CB -0.699 31.251 31.823 0.212 0.000 0.672 175 V HN 0.401 nan 8.190 nan 0.000 0.457 176 Y N -0.063 120.202 120.300 -0.060 0.000 2.263 176 Y HA -0.213 4.337 4.550 0.000 0.000 0.292 176 Y C 2.465 178.224 175.900 -0.235 0.000 1.130 176 Y CA 1.486 59.520 58.100 -0.109 0.000 1.179 176 Y CB -0.595 37.838 38.460 -0.044 0.000 0.998 176 Y HN 0.231 nan 8.280 nan 0.000 0.532 177 C N 0.323 119.445 119.300 -0.297 0.000 2.453 177 C HA -0.091 4.369 4.460 0.000 0.000 0.277 177 C C 3.076 177.776 174.990 -0.484 0.000 1.262 177 C CA 1.246 59.989 59.018 -0.459 0.000 1.718 177 C CB -1.665 26.027 27.740 -0.079 0.000 2.031 177 C HN 0.735 nan 8.230 nan 0.000 0.480 178 A N 0.474 122.978 122.820 -0.527 0.000 1.883 178 A HA -0.187 4.133 4.320 0.000 0.000 0.217 178 A C 2.257 179.576 177.584 -0.441 0.000 1.186 178 A CA 2.453 54.106 52.037 -0.640 0.000 0.624 178 A CB -0.919 17.242 19.000 -1.398 0.000 0.822 178 A HN 0.565 nan 8.150 nan 0.000 0.444 179 S N -0.887 114.611 115.700 -0.337 0.000 2.359 179 S HA -0.230 4.240 4.470 0.000 0.000 0.224 179 S C 1.966 176.369 174.600 -0.327 0.000 1.035 179 S CA 1.518 59.626 58.200 -0.154 0.000 1.018 179 S CB -0.804 62.405 63.200 0.016 0.000 0.876 179 S HN 0.714 nan 8.310 nan 0.000 0.448 180 C N 1.226 120.218 119.300 -0.512 0.000 2.429 180 C HA -0.014 4.446 4.460 0.000 0.000 0.277 180 C C 2.455 177.317 174.990 -0.213 0.000 1.262 180 C CA 0.334 59.093 59.018 -0.432 0.000 1.733 180 C CB -1.403 25.849 27.740 -0.815 0.000 2.010 180 C HN 0.544 nan 8.230 nan 0.000 0.483 181 I N -0.113 120.300 120.570 -0.263 0.000 2.142 181 I HA -0.236 3.934 4.170 0.000 0.000 0.240 181 I C 2.614 178.572 176.117 -0.266 0.000 1.078 181 I CA 1.485 62.675 61.300 -0.184 0.000 1.343 181 I CB -0.596 37.295 38.000 -0.181 0.000 1.046 181 I HN 0.344 nan 8.210 nan 0.000 0.405 182 C N -0.145 118.869 119.300 -0.477 0.000 2.413 182 C HA -0.243 4.217 4.460 0.000 0.000 0.277 182 C C 2.813 177.256 174.990 -0.912 0.000 1.265 182 C CA 0.902 59.434 59.018 -0.810 0.000 1.752 182 C CB -1.050 25.910 27.740 -1.301 0.000 1.998 182 C HN 0.517 nan 8.230 nan 0.000 0.489 183 Y N 0.852 120.662 120.300 -0.816 0.000 2.163 183 Y HA -0.162 4.388 4.550 0.000 0.000 0.288 183 Y C 2.490 178.368 175.900 -0.037 0.000 1.136 183 Y CA 1.760 59.672 58.100 -0.313 0.000 1.147 183 Y CB -0.388 38.057 38.460 -0.025 0.000 0.987 183 Y HN 0.226 nan 8.280 nan 0.000 0.509 184 M N -0.479 119.224 119.600 0.172 0.000 2.117 184 M HA -0.209 4.271 4.480 0.000 0.000 0.262 184 M C 1.780 178.247 176.300 0.278 0.000 1.065 184 M CA 1.523 56.972 55.300 0.248 0.000 1.114 184 M CB -0.370 32.339 32.600 0.181 0.000 1.361 184 M HN 0.262 nan 8.290 nan 0.000 0.408 185 L N 0.007 121.279 121.223 0.082 0.000 2.610 185 L HA -0.010 4.331 4.340 0.000 0.000 0.232 185 L C 0.401 177.275 176.870 0.006 0.000 1.149 185 L CA -0.091 54.801 54.840 0.087 0.000 0.872 185 L CB -1.007 41.020 42.059 -0.053 0.000 0.992 185 L HN 0.461 nan 8.230 nan 0.000 0.447 186 N N 1.853 120.452 118.700 -0.169 0.000 2.708 186 N HA -0.265 4.475 4.740 0.000 0.000 0.251 186 N C -0.376 175.017 175.510 -0.194 0.000 1.017 186 N CA 0.431 53.260 53.050 -0.368 0.000 0.742 186 N CB -0.778 37.280 38.487 -0.714 0.000 0.943 186 N HN 0.440 nan 8.380 nan 0.000 0.539 187 N N -0.129 118.415 118.700 -0.260 0.000 2.572 187 N HA 0.171 4.911 4.740 0.000 0.000 0.287 187 N C -0.887 174.485 175.510 -0.229 0.000 1.136 187 N CA -0.562 52.407 53.050 -0.135 0.000 0.900 187 N CB 0.157 38.586 38.487 -0.096 0.000 1.484 187 N HN 0.270 nan 8.380 nan 0.000 0.526 188 W N 2.075 123.378 121.300 0.004 0.000 3.391 188 W HA 0.161 4.821 4.660 0.000 0.000 0.372 188 W C 1.811 178.346 176.519 0.027 0.000 1.171 188 W CA -0.182 57.177 57.345 0.023 0.000 1.862 188 W CB 0.071 29.550 29.460 0.031 0.000 1.048 188 W HN 0.642 nan 8.180 nan 0.000 0.726 189 S N -1.447 114.333 115.700 0.134 0.000 2.561 189 S HA 0.023 4.493 4.470 0.000 0.000 0.225 189 S C 1.958 176.607 174.600 0.082 0.000 0.977 189 S CA 0.767 59.027 58.200 0.100 0.000 0.926 189 S CB -0.345 62.886 63.200 0.051 0.000 0.769 189 S HN 0.263 nan 8.310 nan 0.000 0.533 190 G N 1.468 110.303 108.800 0.058 0.000 2.534 190 G HA2 0.274 4.234 3.960 0.000 0.000 0.217 190 G HA3 0.274 4.234 3.960 0.000 0.000 0.217 190 G C 0.422 175.415 174.900 0.155 0.000 1.128 190 G CA 0.664 45.795 45.100 0.051 0.000 0.784 190 G HN 0.745 nan 8.290 nan 0.000 0.542 191 M N -2.332 117.399 119.600 0.219 0.000 2.622 191 M HA 0.498 4.979 4.480 0.000 0.000 0.276 191 M C -2.053 174.380 176.300 0.221 0.000 1.265 191 M CA -1.035 54.452 55.300 0.310 0.000 0.850 191 M CB 2.101 35.004 32.600 0.505 0.000 1.720 191 M HN -0.184 nan 8.290 nan 0.000 0.465 192 D N 1.931 122.424 120.400 0.156 0.000 2.524 192 D HA 0.250 4.890 4.640 0.000 0.000 0.222 192 D C 0.684 177.049 176.300 0.108 0.000 1.142 192 D CA -0.170 53.884 54.000 0.089 0.000 0.973 192 D CB 0.757 41.569 40.800 0.021 0.000 1.025 192 D HN 0.842 nan 8.370 nan 0.000 0.519 193 M N 2.380 122.059 119.600 0.131 0.000 2.192 193 M HA -0.275 4.205 4.480 0.000 0.000 0.259 193 M C 1.992 178.315 176.300 0.040 0.000 1.071 193 M CA 1.525 56.883 55.300 0.098 0.000 1.082 193 M CB 0.186 32.801 32.600 0.024 0.000 1.373 193 M HN 0.183 nan 8.290 nan 0.000 0.408 194 K N 0.474 120.886 120.400 0.021 0.000 2.026 194 K HA -0.157 4.163 4.320 0.000 0.000 0.208 194 K C 1.748 178.356 176.600 0.013 0.000 1.048 194 K CA 1.958 58.245 56.287 0.000 0.000 0.929 194 K CB -0.420 32.078 32.500 -0.004 0.000 0.713 194 K HN 0.610 nan 8.250 nan 0.000 0.439 195 K N -0.285 120.128 120.400 0.023 0.000 2.097 195 K HA 0.022 4.342 4.320 0.000 0.000 0.205 195 K C 2.426 179.066 176.600 0.067 0.000 1.050 195 K CA 1.168 57.470 56.287 0.026 0.000 0.938 195 K CB -0.373 32.121 32.500 -0.010 0.000 0.718 195 K HN 0.379 nan 8.250 nan 0.000 0.442 196 A N 1.761 124.638 122.820 0.094 0.000 1.877 196 A HA -0.156 4.164 4.320 0.000 0.000 0.216 196 A C 2.118 179.795 177.584 0.155 0.000 1.186 196 A CA 1.299 53.438 52.037 0.170 0.000 0.620 196 A CB -0.612 18.537 19.000 0.248 0.000 0.822 196 A HN 0.167 nan 8.150 nan 0.000 0.443 197 I N -0.407 120.206 120.570 0.072 0.000 2.286 197 I HA -0.232 3.938 4.170 0.000 0.000 0.248 197 I C 2.848 178.961 176.117 -0.008 0.000 1.115 197 I CA 1.515 62.815 61.300 -0.001 0.000 1.392 197 I CB -0.311 37.651 38.000 -0.062 0.000 1.065 197 I HN 0.466 nan 8.210 nan 0.000 0.418 198 S N 0.378 116.092 115.700 0.023 0.000 2.359 198 S HA -0.283 4.187 4.470 0.000 0.000 0.224 198 S C 2.200 176.831 174.600 0.052 0.000 1.035 198 S CA 1.436 59.647 58.200 0.018 0.000 1.018 198 S CB -0.493 62.726 63.200 0.031 0.000 0.876 198 S HN 0.490 nan 8.310 nan 0.000 0.448 199 Y N 1.933 122.230 120.300 -0.005 0.000 2.128 199 Y HA -0.081 4.469 4.550 0.000 0.000 0.284 199 Y C 2.014 177.924 175.900 0.017 0.000 1.154 199 Y CA 1.960 60.067 58.100 0.011 0.000 1.149 199 Y CB -0.458 38.022 38.460 0.033 0.000 0.976 199 Y HN 0.306 nan 8.280 nan 0.000 0.505 200 I N -0.200 120.448 120.570 0.131 0.000 2.208 200 I HA -0.367 3.804 4.170 0.000 0.000 0.245 200 I C 2.576 178.697 176.117 0.008 0.000 1.097 200 I CA 1.562 62.899 61.300 0.062 0.000 1.363 200 I CB -0.491 37.562 38.000 0.089 0.000 1.051 200 I HN 0.219 nan 8.210 nan 0.000 0.413 201 R N 0.686 121.161 120.500 -0.041 0.000 2.066 201 R HA -0.095 4.245 4.340 0.000 0.000 0.232 201 R C 2.389 178.683 176.300 -0.010 0.000 1.131 201 R CA 1.213 57.308 56.100 -0.009 0.000 0.955 201 R CB -0.285 29.956 30.300 -0.099 0.000 0.851 201 R HN 0.335 nan 8.270 nan 0.000 0.432 202 R N 0.491 120.937 120.500 -0.090 0.000 2.303 202 R HA -0.074 4.266 4.340 0.000 0.000 0.225 202 R C 2.072 178.264 176.300 -0.181 0.000 1.114 202 R CA 1.433 57.459 56.100 -0.124 0.000 1.007 202 R CB -0.113 30.100 30.300 -0.145 0.000 0.861 202 R HN 0.251 nan 8.270 nan 0.000 0.471 203 S N -0.364 115.200 115.700 -0.226 0.000 2.593 203 S HA 0.029 4.499 4.470 0.000 0.000 0.217 203 S C 0.868 175.369 174.600 -0.166 0.000 0.966 203 S CA -0.322 57.734 58.200 -0.240 0.000 0.914 203 S CB 0.043 63.067 63.200 -0.293 0.000 0.776 203 S HN 0.180 nan 8.310 nan 0.000 0.523 204 M N 2.920 122.457 119.600 -0.106 0.000 2.238 204 M HA 0.252 4.732 4.480 0.000 0.000 0.350 204 M C 0.340 176.544 176.300 -0.160 0.000 1.321 204 M CA -0.016 55.198 55.300 -0.143 0.000 1.097 204 M CB 0.899 33.456 32.600 -0.071 0.000 1.713 204 M HN 0.321 nan 8.290 nan 0.000 0.455 205 S N 3.109 118.655 115.700 -0.257 0.000 2.681 205 S HA 0.200 4.670 4.470 0.000 0.000 0.270 205 S C 0.695 175.165 174.600 -0.216 0.000 1.209 205 S CA -0.482 57.561 58.200 -0.262 0.000 0.988 205 S CB 0.513 63.448 63.200 -0.442 0.000 1.006 205 S HN 0.727 nan 8.310 nan 0.000 0.558 206 Y N 0.714 120.974 120.300 -0.066 0.000 2.421 206 Y HA 0.078 4.628 4.550 0.000 0.000 0.292 206 Y C 1.473 177.361 175.900 -0.020 0.000 1.136 206 Y CA 1.263 59.342 58.100 -0.036 0.000 1.255 206 Y CB -0.734 37.715 38.460 -0.019 0.000 0.991 206 Y HN 0.622 nan 8.280 nan 0.000 0.552 207 D N -0.996 119.013 120.400 -0.652 0.000 2.328 207 D HA -0.041 4.599 4.640 0.000 0.000 0.226 207 D C 0.151 176.366 176.300 -0.143 0.000 1.066 207 D CA 0.403 54.228 54.000 -0.291 0.000 0.861 207 D CB -0.684 39.922 40.800 -0.323 0.000 0.912 207 D HN 0.442 nan 8.370 nan 0.000 0.521 208 N N -1.060 117.488 118.700 -0.253 0.000 2.965 208 N HA -0.101 4.639 4.740 0.000 0.000 0.232 208 N C 0.701 175.922 175.510 -0.482 0.000 0.913 208 N CA 1.197 54.096 53.050 -0.253 0.000 0.981 208 N CB -1.568 36.870 38.487 -0.082 0.000 1.077 208 N HN 0.497 nan 8.380 nan 0.000 0.589 209 G N -0.069 108.150 108.800 -0.968 0.000 2.557 209 G HA2 0.605 4.565 3.960 0.000 0.000 0.292 209 G HA3 0.605 4.565 3.960 0.000 0.000 0.292 209 G C -0.288 174.106 174.900 -0.843 0.000 1.237 209 G CA -0.355 43.837 45.100 -1.514 0.000 0.978 209 G HN 0.035 nan 8.290 nan 0.000 0.498 210 L N 0.157 120.954 121.223 -0.709 0.000 2.329 210 L HA 0.708 5.048 4.340 0.000 0.000 0.279 210 L C 0.727 177.407 176.870 -0.317 0.000 1.014 210 L CA -0.505 54.106 54.840 -0.382 0.000 0.814 210 L CB 1.329 43.251 42.059 -0.228 0.000 1.257 210 L HN 0.727 nan 8.230 nan 0.000 0.424 211 A N 1.820 124.504 122.820 -0.227 0.000 2.352 211 A HA 0.533 4.853 4.320 0.000 0.000 0.299 211 A C 0.704 178.222 177.584 -0.110 0.000 1.160 211 A CA -0.319 51.626 52.037 -0.153 0.000 0.933 211 A CB 0.636 19.552 19.000 -0.139 0.000 1.387 211 A HN 0.664 nan 8.150 nan 0.000 0.487 212 Q N -0.672 119.075 119.800 -0.088 0.000 2.291 212 Q HA 0.117 4.457 4.340 0.000 0.000 0.205 212 Q C 0.725 176.740 176.000 0.024 0.000 0.970 212 Q CA 1.350 57.124 55.803 -0.049 0.000 0.876 212 Q CB -0.015 28.674 28.738 -0.081 0.000 0.935 212 Q HN 0.920 nan 8.270 nan 0.000 0.455 213 G N -1.524 107.239 108.800 -0.062 0.000 2.506 213 G HA2 0.514 4.474 3.960 0.000 0.000 0.292 213 G HA3 0.514 4.474 3.960 0.000 0.000 0.292 213 G C -1.548 173.244 174.900 -0.179 0.000 1.425 213 G CA -0.401 44.615 45.100 -0.139 0.000 0.788 213 G HN 0.133 nan 8.290 nan 0.000 0.490 214 A N -0.780 121.904 122.820 -0.226 0.000 2.565 214 A HA 0.516 4.836 4.320 0.000 0.000 0.237 214 A C 1.803 179.346 177.584 -0.068 0.000 1.053 214 A CA 1.862 53.812 52.037 -0.144 0.000 0.755 214 A CB -0.357 18.570 19.000 -0.122 0.000 0.980 214 A HN 2.860 nan 8.150 nan 0.000 0.506 215 G N 0.893 109.664 108.800 -0.047 0.000 2.304 215 G HA2 -0.208 3.752 3.960 0.000 0.000 0.252 215 G HA3 -0.208 3.752 3.960 0.000 0.000 0.252 215 G C 0.259 175.160 174.900 0.001 0.000 1.014 215 G CA 0.407 45.503 45.100 -0.007 0.000 0.619 215 G HN 0.769 nan 8.290 nan 0.000 0.525 216 L N 1.295 122.503 121.223 -0.025 0.000 2.476 216 L HA 0.428 4.768 4.340 0.000 0.000 0.255 216 L C 1.098 177.950 176.870 -0.030 0.000 1.218 216 L CA -0.350 54.478 54.840 -0.019 0.000 0.819 216 L CB 0.397 42.436 42.059 -0.033 0.000 1.119 216 L HN 0.488 nan 8.230 nan 0.000 0.485 217 E N 0.448 120.642 120.200 -0.011 0.000 2.366 217 E HA 0.084 4.434 4.350 0.000 0.000 0.266 217 E C -0.189 176.378 176.600 -0.054 0.000 1.015 217 E CA -0.399 55.993 56.400 -0.013 0.000 0.906 217 E CB 0.686 30.406 29.700 0.033 0.000 0.979 217 E HN 0.638 nan 8.360 nan 0.000 0.443 218 S N 4.483 120.089 115.700 -0.156 0.000 2.563 218 S HA -0.017 4.453 4.470 0.000 0.000 0.284 218 S C -0.176 174.375 174.600 -0.081 0.000 1.331 218 S CA -0.307 57.715 58.200 -0.297 0.000 1.047 218 S CB 0.811 63.601 63.200 -0.683 0.000 0.859 218 S HN 0.680 nan 8.310 nan 0.000 0.514 219 H N 0.564 119.492 119.070 -0.237 0.000 2.974 219 H HA 0.346 4.902 4.556 0.000 0.000 0.366 219 H C 1.109 176.486 175.328 0.081 0.000 1.155 219 H CA 0.022 56.070 56.048 -0.000 0.000 1.186 219 H CB 1.464 31.197 29.762 -0.048 0.000 1.799 219 H HN 0.724 nan 8.280 nan 0.000 0.541 220 G N 1.952 110.736 108.800 -0.025 0.000 2.469 220 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 220 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 220 G C 1.450 176.499 174.900 0.248 0.000 1.136 220 G CA 0.925 46.154 45.100 0.216 0.000 0.759 220 G HN 0.660 nan 8.290 nan 0.000 0.562 221 G N 0.910 109.912 108.800 0.336 0.000 2.414 221 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 221 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 221 G C 2.231 177.087 174.900 -0.074 0.000 1.188 221 G CA 1.862 46.878 45.100 -0.140 0.000 0.783 221 G HN 0.661 nan 8.290 nan 0.000 0.537 222 S N 0.143 115.862 115.700 0.032 0.000 2.402 222 S HA -0.091 4.379 4.470 0.000 0.000 0.229 222 S C 2.220 176.805 174.600 -0.025 0.000 1.021 222 S CA 1.852 60.028 58.200 -0.039 0.000 0.974 222 S CB -0.640 62.521 63.200 -0.065 0.000 0.800 222 S HN 0.282 nan 8.310 nan 0.000 0.484 223 T N 2.025 116.574 114.554 -0.007 0.000 2.777 223 T HA 0.016 4.366 4.350 0.000 0.000 0.266 223 T C 1.283 175.995 174.700 0.020 0.000 1.040 223 T CA 1.346 63.421 62.100 -0.041 0.000 1.141 223 T CB -0.553 68.286 68.868 -0.048 0.000 0.868 223 T HN 0.495 nan 8.240 nan 0.000 0.444 224 F N 1.611 121.539 119.950 -0.036 0.000 2.075 224 F HA -0.170 4.357 4.527 0.000 0.000 0.297 224 F C 2.450 178.182 175.800 -0.112 0.000 1.113 224 F CA 0.767 58.734 58.000 -0.055 0.000 1.218 224 F CB -0.925 38.082 39.000 0.011 0.000 0.984 224 F HN 0.143 nan 8.300 nan 0.000 0.472 225 C N 1.116 120.307 119.300 -0.183 0.000 2.398 225 C HA -0.151 4.309 4.460 0.000 0.000 0.276 225 C C 3.101 178.005 174.990 -0.143 0.000 1.222 225 C CA 1.369 60.224 59.018 -0.273 0.000 1.746 225 C CB -1.987 25.724 27.740 -0.047 0.000 2.039 225 C HN 0.768 nan 8.230 nan 0.000 0.470 226 G N 0.524 109.285 108.800 -0.066 0.000 2.453 226 G HA2 -0.126 3.834 3.960 0.000 0.000 0.215 226 G HA3 -0.126 3.834 3.960 0.000 0.000 0.215 226 G C 1.369 176.270 174.900 0.001 0.000 1.201 226 G CA 0.838 45.948 45.100 0.016 0.000 0.784 226 G HN 0.346 nan 8.290 nan 0.000 0.545 227 I N 2.125 122.664 120.570 -0.051 0.000 2.127 227 I HA -0.166 4.004 4.170 0.000 0.000 0.241 227 I C 3.330 179.379 176.117 -0.113 0.000 1.075 227 I CA 1.290 62.568 61.300 -0.035 0.000 1.334 227 I CB -1.469 36.500 38.000 -0.052 0.000 1.040 227 I HN 0.266 nan 8.210 nan 0.000 0.405 228 A N 0.228 122.846 122.820 -0.337 0.000 1.940 228 A HA -0.209 4.111 4.320 0.000 0.000 0.219 228 A C 2.598 180.143 177.584 -0.064 0.000 1.176 228 A CA 2.280 54.117 52.037 -0.333 0.000 0.631 228 A CB -0.825 17.640 19.000 -0.893 0.000 0.814 228 A HN 0.447 nan 8.150 nan 0.000 0.446 229 S N -0.262 115.446 115.700 0.014 0.000 2.368 229 S HA -0.085 4.385 4.470 0.000 0.000 0.225 229 S C 1.828 176.469 174.600 0.067 0.000 1.030 229 S CA 1.427 59.688 58.200 0.101 0.000 0.999 229 S CB -0.439 62.840 63.200 0.131 0.000 0.844 229 S HN 0.526 nan 8.310 nan 0.000 0.459 230 L N 0.652 121.893 121.223 0.031 0.000 2.046 230 L HA -0.167 4.173 4.340 0.000 0.000 0.208 230 L C 2.601 179.472 176.870 0.001 0.000 1.077 230 L CA 0.918 55.759 54.840 0.002 0.000 0.747 230 L CB -0.771 41.297 42.059 0.014 0.000 0.896 230 L HN 0.418 nan 8.230 nan 0.000 0.432 231 C N -0.461 118.850 119.300 0.017 0.000 2.429 231 C HA -0.161 4.299 4.460 0.000 0.000 0.277 231 C C 2.657 177.678 174.990 0.052 0.000 1.262 231 C CA 0.227 59.265 59.018 0.034 0.000 1.733 231 C CB -0.782 26.977 27.740 0.032 0.000 2.010 231 C HN 0.398 nan 8.230 nan 0.000 0.483 232 L N 0.211 121.461 121.223 0.046 0.000 2.191 232 L HA -0.069 4.271 4.340 0.000 0.000 0.212 232 L C 2.272 179.314 176.870 0.286 0.000 1.103 232 L CA 1.789 56.689 54.840 0.100 0.000 0.769 232 L CB -0.635 41.469 42.059 0.076 0.000 0.908 232 L HN 0.383 nan 8.230 nan 0.000 0.438 233 M N -1.644 117.959 119.600 0.005 0.000 2.556 233 M HA 0.241 4.721 4.480 0.000 0.000 0.245 233 M C 1.187 177.348 176.300 -0.231 0.000 1.128 233 M CA 0.620 55.659 55.300 -0.434 0.000 1.069 233 M CB -0.067 32.225 32.600 -0.513 0.000 1.469 233 M HN 0.277 nan 8.290 nan 0.000 0.494 234 G N 2.332 111.103 108.800 -0.049 0.000 2.314 234 G HA2 -0.269 3.691 3.960 0.000 0.000 0.292 234 G HA3 -0.269 3.691 3.960 0.000 0.000 0.292 234 G C 0.243 175.111 174.900 -0.053 0.000 1.059 234 G CA 0.366 45.458 45.100 -0.014 0.000 0.982 234 G HN 0.563 nan 8.290 nan 0.000 0.505 235 K N -0.755 119.607 120.400 -0.063 0.000 2.644 235 K HA 0.347 4.667 4.320 0.000 0.000 0.198 235 K C 2.000 178.571 176.600 -0.049 0.000 1.113 235 K CA -0.515 55.728 56.287 -0.073 0.000 1.073 235 K CB 0.333 32.761 32.500 -0.121 0.000 0.811 235 K HN 0.313 nan 8.250 nan 0.000 0.508 236 L N 1.336 122.559 121.223 -0.001 0.000 1.956 236 L HA -0.258 4.082 4.340 0.000 0.000 0.216 236 L C 1.685 178.592 176.870 0.062 0.000 1.073 236 L CA 2.028 56.899 54.840 0.052 0.000 0.762 236 L CB 0.024 42.132 42.059 0.082 0.000 0.889 236 L HN 0.307 nan 8.230 nan 0.000 0.433 237 E N -0.441 119.790 120.200 0.051 0.000 2.160 237 E HA -0.284 4.066 4.350 0.000 0.000 0.195 237 E C 1.996 178.609 176.600 0.022 0.000 0.991 237 E CA 1.380 57.811 56.400 0.052 0.000 0.810 237 E CB 0.024 29.748 29.700 0.041 0.000 0.742 237 E HN 0.456 nan 8.360 nan 0.000 0.466 238 E N -0.325 119.866 120.200 -0.015 0.000 2.152 238 E HA -0.121 4.229 4.350 0.000 0.000 0.192 238 E C 1.660 178.210 176.600 -0.083 0.000 0.983 238 E CA 0.838 57.213 56.400 -0.042 0.000 0.818 238 E CB 0.341 30.008 29.700 -0.056 0.000 0.758 238 E HN 0.119 nan 8.360 nan 0.000 0.467 239 V N 0.273 120.099 119.914 -0.147 0.000 2.500 239 V HA 0.017 4.137 4.120 0.000 0.000 0.243 239 V C 0.703 176.570 176.094 -0.378 0.000 1.039 239 V CA 0.912 63.019 62.300 -0.322 0.000 1.053 239 V CB -0.117 31.397 31.823 -0.516 0.000 0.695 239 V HN 0.092 nan 8.190 nan 0.000 0.463 240 F N 0.622 120.565 119.950 -0.012 0.000 2.469 240 F HA 0.479 5.006 4.527 0.000 0.000 0.332 240 F C 0.906 176.704 175.800 -0.003 0.000 1.103 240 F CA -0.733 57.261 58.000 -0.010 0.000 0.979 240 F CB 1.554 40.548 39.000 -0.011 0.000 1.137 240 F HN -0.007 nan 8.300 nan 0.000 0.463 241 S N 1.226 117.052 115.700 0.210 0.000 2.608 241 S HA 0.042 4.512 4.470 0.000 0.000 0.261 241 S C 1.108 175.768 174.600 0.100 0.000 1.314 241 S CA -0.460 57.808 58.200 0.114 0.000 0.992 241 S CB 1.152 64.402 63.200 0.083 0.000 0.935 241 S HN 0.870 nan 8.310 nan 0.000 0.564 242 E N 0.741 120.980 120.200 0.066 0.000 2.110 242 E HA -0.217 4.133 4.350 0.000 0.000 0.193 242 E C 1.926 178.549 176.600 0.038 0.000 0.988 242 E CA 1.242 57.673 56.400 0.051 0.000 0.804 242 E CB -0.181 29.543 29.700 0.039 0.000 0.745 242 E HN 0.771 nan 8.360 nan 0.000 0.458 243 K N 0.478 120.899 120.400 0.035 0.000 2.057 243 K HA -0.180 4.140 4.320 0.000 0.000 0.207 243 K C 2.017 178.624 176.600 0.012 0.000 1.049 243 K CA 1.638 57.939 56.287 0.023 0.000 0.931 243 K CB 0.055 32.569 32.500 0.024 0.000 0.714 243 K HN 0.126 nan 8.250 nan 0.000 0.440 244 E N 0.546 120.760 120.200 0.023 0.000 2.051 244 E HA -0.186 4.164 4.350 0.000 0.000 0.192 244 E C 2.070 178.607 176.600 -0.105 0.000 0.991 244 E CA 1.274 57.658 56.400 -0.027 0.000 0.799 244 E CB -0.078 29.660 29.700 0.064 0.000 0.748 244 E HN 0.271 nan 8.360 nan 0.000 0.449 245 L N 1.001 122.198 121.223 -0.043 0.000 2.127 245 L HA -0.223 4.118 4.340 0.000 0.000 0.211 245 L C 1.939 178.792 176.870 -0.028 0.000 1.089 245 L CA 1.133 55.942 54.840 -0.051 0.000 0.757 245 L CB -0.429 41.651 42.059 0.035 0.000 0.899 245 L HN 0.207 nan 8.230 nan 0.000 0.434 246 N N -0.530 118.166 118.700 -0.007 0.000 2.216 246 N HA -0.125 4.615 4.740 0.000 0.000 0.183 246 N C 1.875 177.388 175.510 0.004 0.000 1.017 246 N CA 0.614 53.668 53.050 0.007 0.000 0.861 246 N CB 0.046 38.539 38.487 0.009 0.000 0.986 246 N HN 0.302 nan 8.380 nan 0.000 0.428 247 R N 0.703 121.193 120.500 -0.016 0.000 2.090 247 R HA 0.028 4.368 4.340 0.000 0.000 0.228 247 R C 2.078 178.384 176.300 0.010 0.000 1.110 247 R CA 0.814 56.910 56.100 -0.005 0.000 0.973 247 R CB -0.254 30.028 30.300 -0.029 0.000 0.869 247 R HN 0.259 nan 8.270 nan 0.000 0.440 248 I N 1.193 121.726 120.570 -0.062 0.000 2.226 248 I HA -0.276 3.894 4.170 0.000 0.000 0.245 248 I C 2.112 178.277 176.117 0.081 0.000 1.100 248 I CA 1.452 62.719 61.300 -0.056 0.000 1.374 248 I CB -0.214 37.650 38.000 -0.226 0.000 1.057 248 I HN 0.127 nan 8.210 nan 0.000 0.413 249 K N 0.372 120.806 120.400 0.056 0.000 2.063 249 K HA -0.240 4.080 4.320 0.000 0.000 0.208 249 K C 2.249 178.914 176.600 0.109 0.000 1.048 249 K CA 1.406 57.750 56.287 0.095 0.000 0.928 249 K CB -0.233 32.314 32.500 0.078 0.000 0.713 249 K HN 0.056 nan 8.250 nan 0.000 0.442 250 R N 0.508 121.060 120.500 0.086 0.000 2.081 250 R HA -0.182 4.158 4.340 0.000 0.000 0.235 250 R C 1.830 178.179 176.300 0.081 0.000 1.131 250 R CA 1.583 57.723 56.100 0.067 0.000 0.960 250 R CB -0.720 29.610 30.300 0.050 0.000 0.856 250 R HN 0.392 nan 8.270 nan 0.000 0.436 251 W N -0.236 121.048 121.300 -0.027 0.000 2.358 251 W HA -0.206 4.454 4.660 0.000 0.000 0.303 251 W C 1.974 178.497 176.519 0.007 0.000 1.208 251 W CA 1.671 58.998 57.345 -0.030 0.000 1.274 251 W CB -0.517 28.901 29.460 -0.069 0.000 1.138 251 W HN 0.146 nan 8.180 nan 0.000 0.515 252 C N -0.310 119.143 119.300 0.254 0.000 2.473 252 C HA -0.195 4.265 4.460 0.000 0.000 0.279 252 C C 2.595 177.618 174.990 0.055 0.000 1.250 252 C CA 1.010 60.130 59.018 0.171 0.000 1.713 252 C CB -1.605 26.291 27.740 0.260 0.000 2.066 252 C HN 0.425 nan 8.230 nan 0.000 0.474 253 I N 0.714 121.334 120.570 0.084 0.000 2.530 253 I HA -0.183 3.987 4.170 0.000 0.000 0.257 253 I C 2.098 178.188 176.117 -0.045 0.000 1.179 253 I CA 1.606 62.952 61.300 0.076 0.000 1.440 253 I CB -0.190 37.855 38.000 0.075 0.000 1.087 253 I HN 0.244 nan 8.210 nan 0.000 0.440 254 M N -0.495 119.023 119.600 -0.136 0.000 2.619 254 M HA 0.015 4.495 4.480 0.000 0.000 0.251 254 M C 1.687 177.810 176.300 -0.294 0.000 1.106 254 M CA 0.746 55.918 55.300 -0.213 0.000 1.086 254 M CB -0.843 31.614 32.600 -0.238 0.000 1.465 254 M HN 0.168 nan 8.290 nan 0.000 0.506 255 R N 0.318 120.645 120.500 -0.287 0.000 2.236 255 R HA 0.030 4.370 4.340 0.000 0.000 0.208 255 R C 0.915 176.876 176.300 -0.564 0.000 1.036 255 R CA 0.199 56.111 56.100 -0.313 0.000 1.001 255 R CB -0.593 29.672 30.300 -0.058 0.000 0.896 255 R HN 0.536 nan 8.270 nan 0.000 0.464 256 Q N 1.282 120.735 119.800 -0.579 0.000 2.293 256 Q HA -0.013 4.327 4.340 0.000 0.000 0.263 256 Q C 0.246 175.873 176.000 -0.621 0.000 1.002 256 Q CA 0.118 55.358 55.803 -0.938 0.000 0.910 256 Q CB 0.859 29.031 28.738 -0.945 0.000 1.185 256 Q HN -0.002 nan 8.270 nan 0.000 0.401 257 Q N 2.766 122.205 119.800 -0.602 0.000 2.471 257 Q HA 0.113 4.454 4.340 0.000 0.000 0.241 257 Q C 0.349 176.167 176.000 -0.304 0.000 0.886 257 Q CA 0.995 56.551 55.803 -0.410 0.000 0.953 257 Q CB 0.730 29.227 28.738 -0.402 0.000 1.108 257 Q HN 0.922 nan 8.270 nan 0.000 0.575 258 N N -1.239 117.257 118.700 -0.339 0.000 2.532 258 N HA -0.025 4.715 4.740 0.000 0.000 0.324 258 N C 0.897 176.276 175.510 -0.217 0.000 0.609 258 N CA 0.624 53.557 53.050 -0.194 0.000 1.102 258 N CB 0.289 38.718 38.487 -0.097 0.000 2.059 258 N HN 0.074 nan 8.380 nan 0.000 1.570 259 G N 0.007 108.602 108.800 -0.341 0.000 2.641 259 G HA2 0.598 4.559 3.960 0.000 0.000 0.239 259 G HA3 0.598 4.559 3.960 0.000 0.000 0.239 259 G C -1.487 173.217 174.900 -0.326 0.000 1.402 259 G CA -0.181 44.759 45.100 -0.267 0.000 1.046 259 G HN 0.149 nan 8.290 nan 0.000 0.565 260 Y N -0.579 119.635 120.300 -0.144 0.000 2.446 260 Y HA 0.432 4.982 4.550 0.000 0.000 0.345 260 Y C 0.617 176.518 175.900 0.003 0.000 0.984 260 Y CA -0.869 57.179 58.100 -0.087 0.000 1.058 260 Y CB 1.742 40.236 38.460 0.056 0.000 1.220 260 Y HN 0.718 nan 8.280 nan 0.000 0.455 261 H N -1.360 117.687 119.070 -0.037 0.000 2.595 261 H HA 0.627 5.184 4.556 0.000 0.000 0.346 261 H C 0.406 175.406 175.328 -0.547 0.000 1.181 261 H CA -0.892 55.030 56.048 -0.209 0.000 1.242 261 H CB 2.014 31.662 29.762 -0.192 0.000 1.652 261 H HN 0.823 nan 8.280 nan 0.000 0.548 262 G N 0.228 108.480 108.800 -0.913 0.000 2.838 262 G HA2 0.138 4.098 3.960 0.000 0.000 0.210 262 G HA3 0.138 4.098 3.960 0.000 0.000 0.210 262 G C 0.362 174.834 174.900 -0.712 0.000 1.153 262 G CA -0.246 44.111 45.100 -1.238 0.000 0.778 262 G HN 0.550 nan 8.290 nan 0.000 0.539 263 R N -0.742 119.342 120.500 -0.695 0.000 2.680 263 R HA 0.313 4.653 4.340 0.000 0.000 0.269 263 R C -3.138 172.643 176.300 -0.864 0.000 1.026 263 R CA -1.787 54.016 56.100 -0.496 0.000 0.889 263 R CB 1.907 32.063 30.300 -0.240 0.000 1.241 263 R HN -0.144 nan 8.270 nan 0.000 0.463 264 P HA -0.029 nan 4.420 nan 0.000 0.265 264 P C -0.604 176.526 177.300 -0.282 0.000 1.187 264 P CA 0.363 63.245 63.100 -0.364 0.000 0.766 264 P CB 0.347 31.968 31.700 -0.130 0.000 0.820 265 N N -0.658 117.959 118.700 -0.138 0.000 2.741 265 N HA -0.175 4.565 4.740 0.000 0.000 0.250 265 N C -0.430 175.029 175.510 -0.086 0.000 1.115 265 N CA 1.318 54.329 53.050 -0.064 0.000 0.724 265 N CB -0.964 37.496 38.487 -0.044 0.000 1.090 265 N HN 0.467 nan 8.380 nan 0.000 0.558 266 K N 0.366 120.665 120.400 -0.168 0.000 2.259 266 K HA 0.457 4.777 4.320 0.000 0.000 0.252 266 K C -2.278 174.348 176.600 0.044 0.000 0.936 266 K CA -1.559 54.668 56.287 -0.099 0.000 0.810 266 K CB 2.145 34.524 32.500 -0.201 0.000 1.143 266 K HN -0.085 nan 8.250 nan 0.000 0.427 267 P HA -0.017 nan 4.420 nan 0.000 0.269 267 P C 0.243 177.653 177.300 0.183 0.000 1.209 267 P CA -0.357 62.784 63.100 0.068 0.000 0.776 267 P CB 0.463 32.144 31.700 -0.032 0.000 0.876 268 V N -0.779 119.188 119.914 0.089 0.000 3.096 268 V HA 0.352 4.472 4.120 0.000 0.000 0.306 268 V C 0.149 176.472 176.094 0.382 0.000 1.088 268 V CA 0.012 62.355 62.300 0.072 0.000 1.129 268 V CB 0.409 32.013 31.823 -0.365 0.000 1.014 268 V HN 0.632 nan 8.190 nan 0.000 0.486 269 D N 1.368 122.039 120.400 0.452 0.000 2.970 269 D HA 0.300 4.940 4.640 0.000 0.000 0.230 269 D C 0.780 177.405 176.300 0.543 0.000 1.276 269 D CA -0.096 54.259 54.000 0.591 0.000 0.910 269 D CB 2.297 43.502 40.800 0.675 0.000 1.590 269 D HN 0.631 nan 8.370 nan 0.000 0.551 270 T N 1.885 116.785 114.554 0.575 0.000 2.649 270 T HA -0.221 4.129 4.350 0.000 0.000 0.268 270 T C 2.013 176.820 174.700 0.180 0.000 1.036 270 T CA 2.330 64.692 62.100 0.437 0.000 1.157 270 T CB -0.561 68.496 68.868 0.315 0.000 0.861 270 T HN 0.781 nan 8.240 nan 0.000 0.445 271 C N 0.381 119.730 119.300 0.081 0.000 2.409 271 C HA -0.051 4.409 4.460 0.000 0.000 0.284 271 C C 2.184 176.881 174.990 -0.489 0.000 1.354 271 C CA -0.156 58.653 59.018 -0.348 0.000 1.787 271 C CB -2.107 25.281 27.740 -0.587 0.000 1.900 271 C HN 0.512 nan 8.230 nan 0.000 0.520 272 Y N 1.811 122.185 120.300 0.123 0.000 2.571 272 Y HA 0.029 4.579 4.550 0.000 0.000 0.294 272 Y C 2.810 178.654 175.900 -0.093 0.000 1.141 272 Y CA 1.345 59.532 58.100 0.144 0.000 1.308 272 Y CB -0.551 38.044 38.460 0.225 0.000 1.002 272 Y HN 0.344 nan 8.280 nan 0.000 0.551 273 S N -0.471 115.209 115.700 -0.034 0.000 2.447 273 S HA -0.142 4.328 4.470 0.000 0.000 0.233 273 S C 1.615 175.996 174.600 -0.366 0.000 1.006 273 S CA 1.009 59.078 58.200 -0.217 0.000 0.957 273 S CB -0.343 62.840 63.200 -0.029 0.000 0.773 273 S HN 0.549 nan 8.310 nan 0.000 0.507 274 F N 0.098 119.742 119.950 -0.510 0.000 2.315 274 F HA 0.214 4.741 4.527 0.000 0.000 0.284 274 F C 1.582 177.035 175.800 -0.579 0.000 1.049 274 F CA 0.013 57.643 58.000 -0.617 0.000 1.323 274 F CB -0.690 37.871 39.000 -0.732 0.000 1.113 274 F HN 0.154 nan 8.300 nan 0.000 0.544 275 W N 0.525 121.429 121.300 -0.660 0.000 2.301 275 W HA -0.259 4.401 4.660 0.000 0.000 0.325 275 W C 2.351 178.640 176.519 -0.384 0.000 1.250 275 W CA 1.640 58.582 57.345 -0.671 0.000 1.261 275 W CB -0.934 28.311 29.460 -0.359 0.000 1.157 275 W HN -0.147 nan 8.180 nan 0.000 0.473 276 V N 0.212 120.134 119.914 0.013 0.000 2.346 276 V HA -0.098 4.022 4.120 0.000 0.000 0.244 276 V C 2.387 178.339 176.094 -0.237 0.000 1.037 276 V CA 1.940 64.231 62.300 -0.015 0.000 1.029 276 V CB -1.559 30.295 31.823 0.053 0.000 0.663 276 V HN 0.384 nan 8.190 nan 0.000 0.454 277 G N 0.107 108.578 108.800 -0.548 0.000 2.476 277 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 277 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 277 G C 1.749 176.255 174.900 -0.657 0.000 1.164 277 G CA 1.199 45.897 45.100 -0.670 0.000 0.768 277 G HN 0.602 nan 8.290 nan 0.000 0.560 278 A N 0.041 122.449 122.820 -0.686 0.000 1.972 278 A HA 0.019 4.339 4.320 0.000 0.000 0.219 278 A C 2.529 180.012 177.584 -0.168 0.000 1.169 278 A CA 2.396 54.113 52.037 -0.534 0.000 0.635 278 A CB -0.740 17.680 19.000 -0.966 0.000 0.810 278 A HN 0.321 nan 8.150 nan 0.000 0.446 279 T N 0.414 114.934 114.554 -0.057 0.000 2.770 279 T HA -0.040 4.310 4.350 0.000 0.000 0.263 279 T C 1.811 176.540 174.700 0.048 0.000 1.039 279 T CA 1.321 63.452 62.100 0.050 0.000 1.142 279 T CB -0.370 68.571 68.868 0.121 0.000 0.868 279 T HN 0.359 nan 8.240 nan 0.000 0.435 280 L N 0.563 121.824 121.223 0.062 0.000 2.079 280 L HA -0.114 4.226 4.340 0.000 0.000 0.210 280 L C 2.862 179.830 176.870 0.163 0.000 1.081 280 L CA 1.080 56.019 54.840 0.166 0.000 0.752 280 L CB -0.431 41.819 42.059 0.317 0.000 0.896 280 L HN 0.088 nan 8.230 nan 0.000 0.433 281 K N 0.566 120.998 120.400 0.053 0.000 2.002 281 K HA -0.121 4.199 4.320 0.000 0.000 0.209 281 K C 2.091 178.732 176.600 0.068 0.000 1.048 281 K CA 1.476 57.796 56.287 0.054 0.000 0.930 281 K CB -0.453 31.982 32.500 -0.109 0.000 0.714 281 K HN 0.271 nan 8.250 nan 0.000 0.438 282 L N 0.755 122.005 121.223 0.045 0.000 2.187 282 L HA -0.147 4.193 4.340 0.000 0.000 0.213 282 L C 1.963 178.877 176.870 0.074 0.000 1.100 282 L CA 0.808 55.684 54.840 0.060 0.000 0.765 282 L CB -0.241 41.839 42.059 0.035 0.000 0.904 282 L HN 0.100 nan 8.230 nan 0.000 0.437 283 L N -0.436 120.838 121.223 0.085 0.000 2.627 283 L HA 0.036 4.376 4.340 0.000 0.000 0.232 283 L C 0.566 177.505 176.870 0.117 0.000 1.150 283 L CA 0.008 54.906 54.840 0.096 0.000 0.917 283 L CB -0.291 41.827 42.059 0.098 0.000 1.104 283 L HN 0.194 nan 8.230 nan 0.000 0.445 284 K N 0.695 121.164 120.400 0.115 0.000 3.035 284 K HA -0.205 4.115 4.320 0.000 0.000 0.262 284 K C 0.645 177.326 176.600 0.135 0.000 1.024 284 K CA 1.052 57.407 56.287 0.114 0.000 0.748 284 K CB -1.537 31.022 32.500 0.099 0.000 1.247 284 K HN 0.638 nan 8.250 nan 0.000 0.482 285 I N -4.758 115.917 120.570 0.175 0.000 4.219 285 I HA 0.172 4.342 4.170 0.000 0.000 0.329 285 I C 1.217 177.445 176.117 0.186 0.000 1.427 285 I CA -0.670 60.766 61.300 0.227 0.000 1.151 285 I CB 0.109 38.320 38.000 0.352 0.000 1.369 285 I HN -0.009 nan 8.210 nan 0.000 0.521 286 F N 3.459 123.441 119.950 0.053 0.000 2.269 286 F HA -0.184 4.343 4.527 0.000 0.000 0.301 286 F C 2.533 178.422 175.800 0.149 0.000 1.082 286 F CA 2.388 60.450 58.000 0.103 0.000 1.360 286 F CB -0.111 38.927 39.000 0.064 0.000 1.041 286 F HN 0.379 nan 8.300 nan 0.000 0.512 287 Q N -1.186 118.536 119.800 -0.130 0.000 2.234 287 Q HA -0.266 4.074 4.340 0.000 0.000 0.206 287 Q C 1.307 177.003 176.000 -0.506 0.000 0.980 287 Q CA 2.109 57.685 55.803 -0.379 0.000 0.869 287 Q CB -1.204 27.213 28.738 -0.535 0.000 0.912 287 Q HN 0.606 nan 8.270 nan 0.000 0.436 288 Y N 2.307 122.552 120.300 -0.091 0.000 2.490 288 Y HA 0.104 4.654 4.550 0.000 0.000 0.281 288 Y C 1.154 176.994 175.900 -0.099 0.000 1.174 288 Y CA 0.072 58.114 58.100 -0.097 0.000 1.295 288 Y CB 0.295 38.730 38.460 -0.042 0.000 1.062 288 Y HN 0.162 nan 8.280 nan 0.000 0.522 289 T N -1.743 112.793 114.554 -0.030 0.000 2.816 289 T HA 0.064 4.414 4.350 0.000 0.000 0.282 289 T C 0.090 174.798 174.700 0.013 0.000 0.993 289 T CA -0.994 61.105 62.100 -0.002 0.000 0.994 289 T CB 1.169 70.016 68.868 -0.035 0.000 1.025 289 T HN 0.109 nan 8.240 nan 0.000 0.529 290 N N 0.890 119.617 118.700 0.045 0.000 2.415 290 N HA 0.136 4.876 4.740 0.000 0.000 0.246 290 N C 0.345 175.984 175.510 0.214 0.000 1.078 290 N CA -0.522 52.566 53.050 0.063 0.000 0.942 290 N CB -0.272 38.218 38.487 0.004 0.000 1.140 290 N HN 0.725 nan 8.380 nan 0.000 0.501 291 F N 1.552 121.448 119.950 -0.090 0.000 2.113 291 F HA -0.139 4.389 4.527 0.000 0.000 0.297 291 F C 2.303 178.111 175.800 0.012 0.000 1.103 291 F CA 0.621 58.594 58.000 -0.045 0.000 1.248 291 F CB 0.204 39.170 39.000 -0.057 0.000 0.999 291 F HN 0.564 nan 8.300 nan 0.000 0.475 292 E N 1.277 121.602 120.200 0.210 0.000 2.049 292 E HA -0.269 4.081 4.350 0.000 0.000 0.198 292 E C 2.001 178.664 176.600 0.106 0.000 1.007 292 E CA 1.645 58.122 56.400 0.128 0.000 0.809 292 E CB -0.083 29.667 29.700 0.084 0.000 0.749 292 E HN 0.348 nan 8.360 nan 0.000 0.450 293 K N 0.192 120.644 120.400 0.086 0.000 2.097 293 K HA -0.177 4.143 4.320 0.000 0.000 0.206 293 K C 2.139 178.807 176.600 0.114 0.000 1.049 293 K CA 1.359 57.690 56.287 0.073 0.000 0.933 293 K CB -0.239 32.272 32.500 0.019 0.000 0.717 293 K HN 0.106 nan 8.250 nan 0.000 0.442 294 N N 1.524 120.299 118.700 0.125 0.000 2.080 294 N HA -0.174 4.566 4.740 0.000 0.000 0.189 294 N C 1.748 177.369 175.510 0.185 0.000 1.036 294 N CA 1.352 54.517 53.050 0.191 0.000 0.846 294 N CB -0.037 38.605 38.487 0.259 0.000 1.015 294 N HN 0.068 nan 8.380 nan 0.000 0.423 295 R N 0.006 120.576 120.500 0.117 0.000 2.081 295 R HA -0.061 4.279 4.340 0.000 0.000 0.235 295 R C 1.513 177.876 176.300 0.105 0.000 1.131 295 R CA 1.663 57.809 56.100 0.077 0.000 0.960 295 R CB -0.264 30.069 30.300 0.056 0.000 0.856 295 R HN 0.243 nan 8.270 nan 0.000 0.436 296 N N -0.296 118.475 118.700 0.119 0.000 2.104 296 N HA -0.217 4.523 4.740 0.000 0.000 0.190 296 N C 1.351 176.935 175.510 0.123 0.000 1.024 296 N CA 1.492 54.609 53.050 0.112 0.000 0.853 296 N CB -0.504 38.046 38.487 0.105 0.000 1.008 296 N HN 0.312 nan 8.380 nan 0.000 0.424 297 Y N 1.356 121.704 120.300 0.080 0.000 2.133 297 Y HA -0.059 4.491 4.550 0.000 0.000 0.287 297 Y C 2.038 178.013 175.900 0.125 0.000 1.134 297 Y CA 1.386 59.545 58.100 0.097 0.000 1.133 297 Y CB -0.443 38.073 38.460 0.093 0.000 0.987 297 Y HN -0.003 nan 8.280 nan 0.000 0.502 298 I N 0.017 120.646 120.570 0.097 0.000 2.185 298 I HA -0.383 3.787 4.170 0.000 0.000 0.246 298 I C 2.325 178.482 176.117 0.067 0.000 1.088 298 I CA 1.618 62.917 61.300 -0.002 0.000 1.347 298 I CB -0.588 37.377 38.000 -0.058 0.000 1.041 298 I HN 0.311 nan 8.210 nan 0.000 0.415 299 L N 0.434 121.729 121.223 0.120 0.000 2.156 299 L HA -0.144 4.196 4.340 0.000 0.000 0.208 299 L C 2.756 179.685 176.870 0.098 0.000 1.095 299 L CA 1.453 56.425 54.840 0.221 0.000 0.770 299 L CB -0.622 41.544 42.059 0.178 0.000 0.914 299 L HN 0.376 nan 8.230 nan 0.000 0.439 300 S N -1.277 114.406 115.700 -0.028 0.000 2.500 300 S HA -0.148 4.322 4.470 0.000 0.000 0.239 300 S C 1.667 176.217 174.600 -0.082 0.000 0.989 300 S CA 1.311 59.468 58.200 -0.070 0.000 0.951 300 S CB -0.738 62.392 63.200 -0.117 0.000 0.759 300 S HN 0.577 nan 8.310 nan 0.000 0.523 301 T N -1.825 112.688 114.554 -0.070 0.000 3.134 301 T HA 0.259 4.609 4.350 0.000 0.000 0.260 301 T C 0.253 175.005 174.700 0.087 0.000 1.027 301 T CA -0.577 61.528 62.100 0.008 0.000 0.913 301 T CB -0.182 68.681 68.868 -0.008 0.000 1.046 301 T HN 0.497 nan 8.240 nan 0.000 0.553 302 Q N 1.446 121.264 119.800 0.030 0.000 2.288 302 Q HA 0.141 4.481 4.340 0.000 0.000 0.254 302 Q C -0.948 174.917 176.000 -0.225 0.000 0.932 302 Q CA -0.434 55.176 55.803 -0.322 0.000 0.902 302 Q CB 0.673 29.240 28.738 -0.284 0.000 1.203 302 Q HN 0.238 nan 8.270 nan 0.000 0.415 303 D N 3.663 123.892 120.400 -0.285 0.000 2.428 303 D HA 0.100 4.740 4.640 0.000 0.000 0.221 303 D C 0.385 176.563 176.300 -0.203 0.000 1.123 303 D CA -0.065 53.835 54.000 -0.167 0.000 0.869 303 D CB 0.586 41.321 40.800 -0.108 0.000 1.032 303 D HN 0.604 nan 8.370 nan 0.000 0.506 304 R N 2.441 122.845 120.500 -0.160 0.000 2.241 304 R HA -0.067 4.273 4.340 0.000 0.000 0.224 304 R C 1.592 177.801 176.300 -0.151 0.000 1.101 304 R CA 0.251 56.249 56.100 -0.171 0.000 0.995 304 R CB 0.403 30.635 30.300 -0.114 0.000 0.870 304 R HN 0.425 nan 8.270 nan 0.000 0.463 305 L N 0.433 121.588 121.223 -0.114 0.000 2.185 305 L HA 0.007 4.347 4.340 0.000 0.000 0.198 305 L C 2.081 178.898 176.870 -0.090 0.000 1.079 305 L CA 1.398 56.184 54.840 -0.090 0.000 0.780 305 L CB -0.399 41.624 42.059 -0.061 0.000 0.955 305 L HN 0.101 nan 8.230 nan 0.000 0.462 306 V N -1.388 118.489 119.914 -0.062 0.000 3.471 306 V HA 0.466 4.587 4.120 0.000 0.000 0.258 306 V C 0.879 177.012 176.094 0.065 0.000 1.192 306 V CA 0.667 62.962 62.300 -0.008 0.000 1.116 306 V CB -0.212 31.629 31.823 0.030 0.000 0.792 306 V HN 0.631 nan 8.190 nan 0.000 0.459 307 G N -0.819 107.933 108.800 -0.079 0.000 2.655 307 G HA2 0.403 4.363 3.960 0.000 0.000 0.680 307 G HA3 0.403 4.363 3.960 0.000 0.000 0.680 307 G C 0.561 175.220 174.900 -0.401 0.000 1.302 307 G CA -0.291 44.673 45.100 -0.227 0.000 0.872 307 G HN 2.398 nan 8.290 nan 0.000 0.540 308 G N -1.961 106.480 108.800 -0.597 0.000 2.796 308 G HA2 0.342 4.302 3.960 0.000 0.000 0.226 308 G HA3 0.342 4.302 3.960 0.000 0.000 0.226 308 G C -0.322 174.086 174.900 -0.821 0.000 1.381 308 G CA 0.446 44.817 45.100 -1.216 0.000 0.867 308 G HN 1.840 nan 8.290 nan 0.000 0.552 309 F N -0.251 119.450 119.950 -0.415 0.000 2.620 309 F HA 0.836 5.363 4.527 0.000 0.000 0.320 309 F C 0.793 176.541 175.800 -0.087 0.000 1.069 309 F CA -0.024 57.871 58.000 -0.174 0.000 0.953 309 F CB 2.004 40.923 39.000 -0.135 0.000 1.322 309 F HN 1.018 nan 8.300 nan 0.000 0.479 310 A N 0.717 123.617 122.820 0.132 0.000 2.344 310 A HA 0.557 4.877 4.320 0.000 0.000 0.307 310 A C 0.691 178.173 177.584 -0.171 0.000 1.151 310 A CA -0.629 51.382 52.037 -0.043 0.000 0.842 310 A CB 1.413 20.404 19.000 -0.014 0.000 1.350 310 A HN 0.884 nan 8.150 nan 0.000 0.459 311 K N -0.816 119.212 120.400 -0.621 0.000 2.103 311 K HA -0.017 4.303 4.320 0.000 0.000 0.204 311 K C -0.383 176.171 176.600 -0.076 0.000 1.052 311 K CA 0.713 56.673 56.287 -0.546 0.000 0.945 311 K CB -0.010 31.909 32.500 -0.970 0.000 0.722 311 K HN 0.574 nan 8.250 nan 0.000 0.443 312 W N 1.707 123.042 121.300 0.058 0.000 2.882 312 W HA 0.407 5.067 4.660 0.000 0.000 0.345 312 W C -2.604 173.931 176.519 0.026 0.000 1.125 312 W CA -3.197 54.221 57.345 0.122 0.000 1.167 312 W CB 0.244 29.775 29.460 0.119 0.000 1.431 312 W HN -0.184 nan 8.180 nan 0.000 0.543 313 P HA 0.126 nan 4.420 nan 0.000 0.269 313 P C 0.099 177.478 177.300 0.131 0.000 1.215 313 P CA 0.949 64.110 63.100 0.101 0.000 0.780 313 P CB 0.201 31.928 31.700 0.045 0.000 0.898 314 D N -1.494 118.959 120.400 0.088 0.000 2.737 314 D HA -0.081 4.559 4.640 0.000 0.000 0.238 314 D C -0.030 176.335 176.300 0.107 0.000 1.157 314 D CA 1.139 55.192 54.000 0.088 0.000 0.694 314 D CB -1.976 38.866 40.800 0.071 0.000 1.021 314 D HN 0.584 nan 8.370 nan 0.000 0.420 315 S N -1.464 114.303 115.700 0.112 0.000 2.550 315 S HA 0.585 5.055 4.470 0.000 0.000 0.270 315 S C -0.659 174.019 174.600 0.131 0.000 1.145 315 S CA -0.452 57.789 58.200 0.069 0.000 0.852 315 S CB 1.255 64.520 63.200 0.109 0.000 1.119 315 S HN 0.597 nan 8.310 nan 0.000 0.465 316 H N 2.756 121.855 119.070 0.048 0.000 2.764 316 H HA 0.301 4.857 4.556 0.000 0.000 0.341 316 H C -1.893 173.471 175.328 0.059 0.000 1.072 316 H CA -1.475 54.610 56.048 0.062 0.000 1.444 316 H CB 0.612 30.425 29.762 0.085 0.000 1.458 316 H HN 0.437 nan 8.280 nan 0.000 0.572 317 P HA 0.072 nan 4.420 nan 0.000 0.276 317 P C -0.972 176.508 177.300 0.300 0.000 1.252 317 P CA -0.318 62.877 63.100 0.158 0.000 0.802 317 P CB 1.388 33.118 31.700 0.051 0.000 1.035 318 D N -2.435 118.152 120.400 0.313 0.000 2.622 318 D HA 0.425 5.065 4.640 0.000 0.000 0.255 318 D C 0.734 177.293 176.300 0.431 0.000 1.246 318 D CA -0.898 53.369 54.000 0.445 0.000 0.795 318 D CB 0.258 41.285 40.800 0.378 0.000 1.369 318 D HN 0.165 nan 8.370 nan 0.000 0.425 319 A N 0.385 123.501 122.820 0.493 0.000 1.917 319 A HA -0.154 4.166 4.320 0.000 0.000 0.219 319 A C 2.011 179.714 177.584 0.198 0.000 1.182 319 A CA 1.793 54.135 52.037 0.508 0.000 0.633 319 A CB -0.993 18.324 19.000 0.529 0.000 0.819 319 A HN 0.638 nan 8.150 nan 0.000 0.448 320 L N -1.475 119.777 121.223 0.049 0.000 1.976 320 L HA -0.208 4.132 4.340 0.000 0.000 0.209 320 L C 2.496 179.157 176.870 -0.347 0.000 1.071 320 L CA 2.344 56.856 54.840 -0.546 0.000 0.746 320 L CB -0.426 41.556 42.059 -0.128 0.000 0.890 320 L HN 0.545 nan 8.230 nan 0.000 0.432 321 H N -0.538 118.519 119.070 -0.022 0.000 2.491 321 H HA 0.003 4.559 4.556 0.000 0.000 0.290 321 H C 2.113 177.415 175.328 -0.043 0.000 1.050 321 H CA 1.046 57.087 56.048 -0.011 0.000 1.309 321 H CB -0.193 29.590 29.762 0.034 0.000 1.392 321 H HN 0.533 nan 8.280 nan 0.000 0.554 322 A N 0.352 123.215 122.820 0.071 0.000 1.855 322 A HA -0.220 4.100 4.320 0.000 0.000 0.215 322 A C 2.084 179.728 177.584 0.100 0.000 1.191 322 A CA 1.536 53.601 52.037 0.047 0.000 0.613 322 A CB -0.962 17.826 19.000 -0.353 0.000 0.829 322 A HN 0.503 nan 8.150 nan 0.000 0.442 323 Y N -0.417 119.833 120.300 -0.083 0.000 2.089 323 Y HA -0.202 4.348 4.550 0.000 0.000 0.282 323 Y C 2.005 177.533 175.900 -0.619 0.000 1.139 323 Y CA 1.773 59.651 58.100 -0.370 0.000 1.123 323 Y CB -0.759 37.229 38.460 -0.786 0.000 0.980 323 Y HN 0.281 nan 8.280 nan 0.000 0.493 324 F N -0.148 119.369 119.950 -0.720 0.000 2.216 324 F HA -0.071 4.456 4.527 0.000 0.000 0.300 324 F C 2.568 177.949 175.800 -0.698 0.000 1.085 324 F CA 0.912 58.366 58.000 -0.910 0.000 1.326 324 F CB -0.712 37.769 39.000 -0.865 0.000 1.027 324 F HN 0.177 nan 8.300 nan 0.000 0.497 325 G N 0.224 108.750 108.800 -0.456 0.000 2.408 325 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 325 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 325 G C 1.687 176.110 174.900 -0.795 0.000 1.150 325 G CA 0.663 45.350 45.100 -0.689 0.000 0.776 325 G HN 0.325 nan 8.290 nan 0.000 0.542 326 I N 0.287 120.458 120.570 -0.665 0.000 2.202 326 I HA -0.172 3.998 4.170 0.000 0.000 0.242 326 I C 2.719 178.542 176.117 -0.490 0.000 1.091 326 I CA 0.594 61.608 61.300 -0.478 0.000 1.368 326 I CB -0.200 37.705 38.000 -0.158 0.000 1.058 326 I HN 0.171 nan 8.210 nan 0.000 0.410 327 C N 0.883 119.805 119.300 -0.630 0.000 2.411 327 C HA -0.116 4.344 4.460 0.000 0.000 0.279 327 C C 2.887 177.681 174.990 -0.326 0.000 1.288 327 C CA 1.030 59.714 59.018 -0.557 0.000 1.764 327 C CB -1.776 25.397 27.740 -0.944 0.000 1.974 327 C HN 0.686 nan 8.230 nan 0.000 0.498 328 G N 0.067 108.664 108.800 -0.338 0.000 2.402 328 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 328 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 328 G C 1.402 176.133 174.900 -0.282 0.000 1.162 328 G CA 0.513 45.450 45.100 -0.271 0.000 0.777 328 G HN 0.352 nan 8.290 nan 0.000 0.539 329 L N 1.265 122.284 121.223 -0.340 0.000 2.046 329 L HA -0.004 4.336 4.340 0.000 0.000 0.208 329 L C 3.078 179.778 176.870 -0.283 0.000 1.077 329 L CA 1.875 56.516 54.840 -0.331 0.000 0.747 329 L CB -0.997 40.775 42.059 -0.478 0.000 0.896 329 L HN 0.329 nan 8.230 nan 0.000 0.432 330 S N -0.829 114.702 115.700 -0.282 0.000 2.387 330 S HA -0.193 4.277 4.470 0.000 0.000 0.230 330 S C 2.034 176.543 174.600 -0.153 0.000 1.035 330 S CA 1.071 59.151 58.200 -0.201 0.000 1.014 330 S CB -0.194 62.892 63.200 -0.191 0.000 0.836 330 S HN 0.257 nan 8.310 nan 0.000 0.466 331 L N 1.158 122.258 121.223 -0.205 0.000 2.127 331 L HA 0.133 4.473 4.340 0.000 0.000 0.211 331 L C 2.074 178.910 176.870 -0.057 0.000 1.089 331 L CA 1.652 56.351 54.840 -0.234 0.000 0.757 331 L CB -0.743 40.940 42.059 -0.626 0.000 0.899 331 L HN 0.479 nan 8.230 nan 0.000 0.434 332 M N -1.311 118.202 119.600 -0.145 0.000 2.493 332 M HA 0.104 4.584 4.480 0.000 0.000 0.244 332 M C -0.260 176.042 176.300 0.004 0.000 1.182 332 M CA -0.046 55.102 55.300 -0.252 0.000 0.981 332 M CB -0.041 32.184 32.600 -0.624 0.000 1.551 332 M HN 0.042 nan 8.290 nan 0.000 0.476 333 E N 2.022 122.220 120.200 -0.003 0.000 2.291 333 E HA -0.194 4.157 4.350 0.000 0.000 0.181 333 E C -0.143 176.449 176.600 -0.014 0.000 1.480 333 E CA 0.307 56.712 56.400 0.009 0.000 0.674 333 E CB -0.776 28.966 29.700 0.070 0.000 1.108 333 E HN 0.374 nan 8.360 nan 0.000 0.357 334 E N 0.916 121.063 120.200 -0.089 0.000 2.316 334 E HA 0.179 4.529 4.350 0.000 0.000 0.275 334 E C -0.442 176.113 176.600 -0.074 0.000 1.029 334 E CA -0.221 56.108 56.400 -0.118 0.000 0.871 334 E CB 1.081 30.607 29.700 -0.290 0.000 1.022 334 E HN 0.171 nan 8.360 nan 0.000 0.418 335 S N 3.471 119.164 115.700 -0.012 0.000 2.546 335 S HA 0.353 4.823 4.470 0.000 0.000 0.290 335 S C 0.937 175.578 174.600 0.067 0.000 1.262 335 S CA 1.000 59.221 58.200 0.034 0.000 1.083 335 S CB -0.553 62.683 63.200 0.059 0.000 0.859 335 S HN 0.972 nan 8.310 nan 0.000 0.495 336 G N 4.014 112.856 108.800 0.071 0.000 2.179 336 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 336 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 336 G C -0.069 174.906 174.900 0.125 0.000 0.990 336 G CA 0.028 45.205 45.100 0.129 0.000 0.646 336 G HN 0.761 nan 8.290 nan 0.000 0.517 337 I N 1.059 121.645 120.570 0.026 0.000 2.447 337 I HA 0.349 4.519 4.170 0.000 0.000 0.287 337 I C 1.037 177.142 176.117 -0.019 0.000 1.023 337 I CA -1.243 60.052 61.300 -0.008 0.000 1.083 337 I CB 1.561 39.472 38.000 -0.149 0.000 1.245 337 I HN 0.070 nan 8.210 nan 0.000 0.434 338 C N 4.127 123.427 119.300 -0.000 0.000 2.746 338 C HA 0.001 4.461 4.460 0.000 0.000 0.403 338 C C 1.072 176.051 174.990 -0.018 0.000 1.270 338 C CA -0.162 58.855 59.018 -0.001 0.000 1.978 338 C CB -0.332 27.412 27.740 0.006 0.000 2.724 338 C HN 0.708 nan 8.230 nan 0.000 0.678 339 K N 0.877 121.275 120.400 -0.002 0.000 2.298 339 K HA 0.433 4.754 4.320 0.000 0.000 0.280 339 K C -0.462 176.150 176.600 0.020 0.000 1.032 339 K CA -0.219 56.069 56.287 0.002 0.000 0.958 339 K CB 0.707 33.217 32.500 0.016 0.000 0.978 339 K HN 0.547 nan 8.250 nan 0.000 0.472 340 V N 4.215 124.144 119.914 0.025 0.000 2.612 340 V HA 0.157 4.277 4.120 0.000 0.000 0.301 340 V C -0.780 175.421 176.094 0.179 0.000 1.046 340 V CA -0.655 61.692 62.300 0.078 0.000 0.946 340 V CB 1.351 33.188 31.823 0.024 0.000 1.003 340 V HN 0.846 nan 8.190 nan 0.000 0.459 341 H N 8.957 128.090 119.070 0.105 0.000 2.969 341 H HA 0.409 4.965 4.556 0.000 0.000 0.269 341 H C -1.659 173.789 175.328 0.200 0.000 1.223 341 H CA -2.299 53.825 56.048 0.127 0.000 1.400 341 H CB 0.967 30.806 29.762 0.128 0.000 1.500 341 H HN 0.491 nan 8.280 nan 0.000 0.486 342 P HA -0.262 nan 4.420 nan 0.000 0.218 342 P C 0.960 178.427 177.300 0.278 0.000 1.152 342 P CA 2.075 65.341 63.100 0.278 0.000 0.857 342 P CB 0.258 32.041 31.700 0.139 0.000 0.787 343 A N -1.100 121.753 122.820 0.055 0.000 1.943 343 A HA 0.014 4.334 4.320 0.000 0.000 0.213 343 A C 2.118 179.662 177.584 -0.067 0.000 1.181 343 A CA 0.746 52.757 52.037 -0.043 0.000 0.653 343 A CB -1.126 17.829 19.000 -0.075 0.000 0.833 343 A HN 0.184 nan 8.150 nan 0.000 0.451 344 L N -0.941 119.971 121.223 -0.518 0.000 2.529 344 L HA 0.225 4.565 4.340 0.000 0.000 0.223 344 L C 0.534 177.542 176.870 0.230 0.000 1.113 344 L CA 0.934 55.655 54.840 -0.198 0.000 0.861 344 L CB -0.601 41.242 42.059 -0.360 0.000 1.012 344 L HN 0.520 nan 8.230 nan 0.000 0.461 345 N N -0.261 118.634 118.700 0.326 0.000 2.758 345 N HA -0.168 4.572 4.740 0.000 0.000 0.248 345 N C -0.712 175.037 175.510 0.397 0.000 1.076 345 N CA 0.986 54.305 53.050 0.448 0.000 0.696 345 N CB -1.292 37.597 38.487 0.669 0.000 0.979 345 N HN 0.281 nan 8.380 nan 0.000 0.550 346 V N -3.460 116.621 119.914 0.278 0.000 3.160 346 V HA 0.840 4.960 4.120 0.000 0.000 0.310 346 V C 0.547 176.745 176.094 0.173 0.000 1.181 346 V CA -0.424 62.009 62.300 0.222 0.000 1.047 346 V CB 1.616 33.567 31.823 0.213 0.000 1.068 346 V HN 0.402 nan 8.190 nan 0.000 0.441 347 S N 0.039 115.801 115.700 0.104 0.000 2.576 347 S HA 0.190 4.660 4.470 0.000 0.000 0.276 347 S C 1.385 176.046 174.600 0.102 0.000 1.339 347 S CA 0.339 58.586 58.200 0.077 0.000 1.039 347 S CB 0.889 64.106 63.200 0.029 0.000 0.902 347 S HN 1.691 nan 8.310 nan 0.000 0.516 348 T N 0.254 114.861 114.554 0.088 0.000 2.737 348 T HA -0.259 4.091 4.350 0.000 0.000 0.269 348 T C 1.781 176.504 174.700 0.039 0.000 1.040 348 T CA 1.284 63.421 62.100 0.062 0.000 1.142 348 T CB -0.536 68.348 68.868 0.027 0.000 0.861 348 T HN 0.714 nan 8.240 nan 0.000 0.456 349 R N 1.328 121.846 120.500 0.030 0.000 2.094 349 R HA -0.155 4.185 4.340 0.000 0.000 0.239 349 R C 2.345 178.655 176.300 0.017 0.000 1.137 349 R CA 2.293 58.402 56.100 0.016 0.000 0.943 349 R CB -1.122 29.185 30.300 0.012 0.000 0.850 349 R HN 0.503 nan 8.270 nan 0.000 0.433 350 T N 0.568 115.141 114.554 0.032 0.000 2.821 350 T HA -0.127 4.223 4.350 0.000 0.000 0.267 350 T C 1.947 176.676 174.700 0.049 0.000 1.046 350 T CA 1.504 63.624 62.100 0.033 0.000 1.139 350 T CB -0.265 68.631 68.868 0.046 0.000 0.871 350 T HN 0.537 nan 8.240 nan 0.000 0.454 351 S N 2.200 117.959 115.700 0.098 0.000 2.356 351 S HA -0.176 4.294 4.470 0.000 0.000 0.223 351 S C 1.913 176.536 174.600 0.039 0.000 1.032 351 S CA 1.244 59.531 58.200 0.145 0.000 1.005 351 S CB -0.523 62.812 63.200 0.224 0.000 0.867 351 S HN 0.572 nan 8.310 nan 0.000 0.449 352 E N 0.791 120.994 120.200 0.005 0.000 2.110 352 E HA -0.066 4.284 4.350 0.000 0.000 0.193 352 E C 2.406 178.964 176.600 -0.071 0.000 0.988 352 E CA 0.674 57.054 56.400 -0.033 0.000 0.804 352 E CB -0.163 29.523 29.700 -0.023 0.000 0.745 352 E HN 0.309 nan 8.360 nan 0.000 0.458 353 R N 1.031 121.496 120.500 -0.058 0.000 2.152 353 R HA -0.147 4.193 4.340 0.000 0.000 0.232 353 R C 2.201 178.408 176.300 -0.155 0.000 1.117 353 R CA 0.771 56.823 56.100 -0.080 0.000 0.981 353 R CB -0.307 29.966 30.300 -0.045 0.000 0.870 353 R HN 0.213 nan 8.270 nan 0.000 0.451 354 L N 0.857 121.972 121.223 -0.180 0.000 2.131 354 L HA -0.058 4.282 4.340 0.000 0.000 0.206 354 L C 2.811 179.306 176.870 -0.626 0.000 1.087 354 L CA 2.253 56.876 54.840 -0.361 0.000 0.767 354 L CB -0.757 41.152 42.059 -0.249 0.000 0.917 354 L HN 0.071 nan 8.230 nan 0.000 0.441 355 R N -0.089 120.188 120.500 -0.372 0.000 2.083 355 R HA -0.190 4.150 4.340 0.000 0.000 0.237 355 R C 1.888 178.030 176.300 -0.263 0.000 1.137 355 R CA 2.053 57.983 56.100 -0.284 0.000 0.951 355 R CB -1.960 28.276 30.300 -0.107 0.000 0.851 355 R HN 0.581 nan 8.270 nan 0.000 0.434 356 D N 0.863 121.126 120.400 -0.229 0.000 2.087 356 D HA -0.125 4.515 4.640 0.000 0.000 0.192 356 D C 2.115 178.225 176.300 -0.317 0.000 0.993 356 D CA 1.369 55.251 54.000 -0.196 0.000 0.828 356 D CB -0.527 40.189 40.800 -0.140 0.000 0.968 356 D HN 0.357 nan 8.370 nan 0.000 0.448 357 L N 0.299 121.256 121.223 -0.443 0.000 2.064 357 L HA -0.280 4.060 4.340 0.000 0.000 0.216 357 L C 2.450 178.552 176.870 -1.280 0.000 1.077 357 L CA 1.566 55.960 54.840 -0.745 0.000 0.766 357 L CB -0.418 41.219 42.059 -0.703 0.000 0.890 357 L HN 0.282 nan 8.230 nan 0.000 0.435 358 H N -1.765 116.730 119.070 -0.958 0.000 2.321 358 H HA -0.165 4.391 4.556 0.000 0.000 0.300 358 H C 2.403 177.532 175.328 -0.332 0.000 1.087 358 H CA 0.797 56.429 56.048 -0.694 0.000 1.319 358 H CB 0.215 29.769 29.762 -0.347 0.000 1.379 358 H HN 0.353 nan 8.280 nan 0.000 0.501 359 Q N 0.400 120.130 119.800 -0.117 0.000 2.030 359 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 359 Q C 2.519 178.505 176.000 -0.023 0.000 0.986 359 Q CA 1.122 56.901 55.803 -0.041 0.000 0.843 359 Q CB -0.800 27.910 28.738 -0.046 0.000 0.904 359 Q HN 0.263 nan 8.270 nan 0.000 0.420 360 S N -0.339 115.301 115.700 -0.100 0.000 2.484 360 S HA -0.148 4.322 4.470 0.000 0.000 0.250 360 S C 1.012 175.736 174.600 0.207 0.000 0.995 360 S CA 0.902 59.102 58.200 -0.001 0.000 0.967 360 S CB -0.114 63.054 63.200 -0.053 0.000 0.752 360 S HN 0.407 nan 8.310 nan 0.000 0.517 361 W N 0.673 121.999 121.300 0.044 0.000 2.735 361 W HA 0.358 5.018 4.660 0.000 0.000 0.264 361 W C 2.528 179.057 176.519 0.017 0.000 1.233 361 W CA 0.279 57.642 57.345 0.030 0.000 1.408 361 W CB -1.051 28.427 29.460 0.031 0.000 1.038 361 W HN 0.335 nan 8.180 nan 0.000 0.603 362 K N 1.094 121.630 120.400 0.227 0.000 2.589 362 K HA -0.011 4.309 4.320 0.000 0.000 0.195 362 K C 0.958 177.617 176.600 0.098 0.000 1.040 362 K CA 1.657 58.023 56.287 0.131 0.000 0.950 362 K CB -1.421 31.130 32.500 0.084 0.000 0.781 362 K HN 0.325 nan 8.250 nan 0.000 0.486 363 T N 0.000 114.621 114.554 0.111 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.148 62.100 0.079 0.000 1.349 363 T CB 0.000 68.908 68.868 0.066 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658