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 2r0n_1_A DATA FIRST_RESID 3 DATA SEQUENCE EFDWQDPLVL EEQLTTDEIL IRDTFRTYCQ ERLMPRILLA NRNEVFHREI DATA SEQUENCE ISEMGELGVL GPTIKGYGCA GVSSVAYGLL ARELERVDSG YRSAMSVQSS DATA SEQUENCE LVMHPIYAYG SEEQRQKYLP QLAKGELLGC FGLTEPNSGS DPSSMETRAH DATA SEQUENCE YNSSNKSYTL NGTKTWITNS PMADLFVVWA RCEDGCIRGF LLEKGMRGLS DATA SEQUENCE APRIQGKFSL RASATGMIIM DGVEVPEENV LPGASSLGGP FGCLNNARYG DATA SEQUENCE IAWGVLGASE FCLHTARQYA LDRMQFGVPL ARNQLIQKKL ADMLTEITLG DATA SEQUENCE LHACLQLGRL KDQDKAAPEM VSLLKRNNCG KALDIARQAR DMLGGNGISD DATA SEQUENCE EYHVIRHAMN LEAVNTYEGT HDIHALILGR AITGIQAFTA 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.734 176.600 0.224 0.000 1.382 3 E CA 0.000 56.472 56.400 0.120 0.000 0.976 3 E CB 0.000 29.768 29.700 0.114 0.000 0.812 4 F N 1.905 121.873 119.950 0.029 0.000 2.099 4 F HA -0.175 4.353 4.527 0.000 0.000 0.440 4 F C -1.180 174.655 175.800 0.058 0.000 1.200 4 F CA 0.649 58.675 58.000 0.043 0.000 1.429 4 F CB 0.069 39.100 39.000 0.052 0.000 2.257 4 F HN 0.420 nan 8.300 nan 0.000 0.732 5 D N 8.082 128.195 120.400 -0.479 0.000 2.440 5 D HA 0.205 4.845 4.640 0.000 0.000 0.239 5 D C 0.927 176.902 176.300 -0.542 0.000 1.084 5 D CA -0.274 53.523 54.000 -0.338 0.000 0.843 5 D CB 0.301 40.930 40.800 -0.286 0.000 1.097 5 D HN 0.506 nan 8.370 nan 0.000 0.531 6 W N 3.593 124.737 121.300 -0.258 0.000 2.480 6 W HA -0.113 4.547 4.660 0.000 0.000 0.257 6 W C 0.267 176.719 176.519 -0.112 0.000 1.235 6 W CA 0.254 57.521 57.345 -0.131 0.000 1.218 6 W CB -0.626 28.889 29.460 0.091 0.000 1.131 6 W HN 0.462 nan 8.180 nan 0.000 0.606 7 Q N 0.367 119.672 119.800 -0.825 0.000 2.425 7 Q HA -0.043 4.297 4.340 0.000 0.000 0.204 7 Q C -0.095 175.716 176.000 -0.315 0.000 0.933 7 Q CA 0.815 56.190 55.803 -0.714 0.000 0.939 7 Q CB 0.099 28.332 28.738 -0.842 0.000 1.044 7 Q HN 0.096 nan 8.270 nan 0.000 0.513 8 D N -0.905 119.324 120.400 -0.284 0.000 3.888 8 D HA 0.037 4.677 4.640 0.000 0.000 0.271 8 D C -2.075 174.095 176.300 -0.216 0.000 1.399 8 D CA -0.936 52.964 54.000 -0.167 0.000 0.775 8 D CB 0.472 41.192 40.800 -0.133 0.000 1.356 8 D HN -0.135 nan 8.370 nan 0.000 0.753 9 P HA -0.177 nan 4.420 nan 0.000 0.218 9 P C 1.062 178.235 177.300 -0.212 0.000 1.152 9 P CA 0.618 63.411 63.100 -0.512 0.000 0.857 9 P CB 0.605 32.148 31.700 -0.262 0.000 0.787 10 L N -0.408 120.785 121.223 -0.050 0.000 2.928 10 L HA 0.157 4.497 4.340 0.000 0.000 0.246 10 L C 0.017 176.908 176.870 0.034 0.000 1.239 10 L CA -0.424 54.377 54.840 -0.066 0.000 1.035 10 L CB -0.648 41.221 42.059 -0.317 0.000 1.360 10 L HN -0.279 nan 8.230 nan 0.000 0.529 11 V N 0.610 120.542 119.914 0.030 0.000 5.882 11 V HA -0.272 3.849 4.120 0.000 0.000 0.179 11 V C 1.576 177.752 176.094 0.137 0.000 0.704 11 V CA 1.001 63.328 62.300 0.045 0.000 0.539 11 V CB -1.756 30.075 31.823 0.013 0.000 0.377 11 V HN 0.492 nan 8.190 nan 0.000 0.413 12 L N 1.574 122.877 121.223 0.132 0.000 2.270 12 L HA 0.106 4.447 4.340 0.000 0.000 0.210 12 L C 2.102 179.001 176.870 0.049 0.000 1.104 12 L CA 2.118 57.005 54.840 0.077 0.000 0.804 12 L CB -0.045 41.937 42.059 -0.129 0.000 0.937 12 L HN 0.625 nan 8.230 nan 0.000 0.450 13 E N 0.627 120.844 120.200 0.028 0.000 2.070 13 E HA -0.267 4.084 4.350 0.000 0.000 0.197 13 E C 1.695 178.312 176.600 0.029 0.000 1.004 13 E CA 1.863 58.275 56.400 0.019 0.000 0.805 13 E CB -0.140 29.559 29.700 -0.002 0.000 0.744 13 E HN 0.622 nan 8.360 nan 0.000 0.451 14 E N -0.726 119.494 120.200 0.033 0.000 2.485 14 E HA -0.074 4.276 4.350 0.000 0.000 0.194 14 E C 0.908 177.535 176.600 0.046 0.000 1.098 14 E CA 0.003 56.423 56.400 0.033 0.000 0.878 14 E CB 0.220 29.936 29.700 0.028 0.000 0.939 14 E HN 0.119 nan 8.360 nan 0.000 0.503 15 Q N -0.216 119.620 119.800 0.059 0.000 2.217 15 Q HA 0.235 4.575 4.340 0.000 0.000 0.217 15 Q C -0.401 175.640 176.000 0.069 0.000 0.844 15 Q CA 0.130 55.977 55.803 0.072 0.000 0.957 15 Q CB 0.776 29.575 28.738 0.102 0.000 1.127 15 Q HN 0.153 nan 8.270 nan 0.000 0.503 16 L N 0.650 121.907 121.223 0.056 0.000 2.331 16 L HA 0.533 4.873 4.340 0.000 0.000 0.275 16 L C 0.587 177.477 176.870 0.033 0.000 1.022 16 L CA -0.975 53.894 54.840 0.050 0.000 0.812 16 L CB 1.627 43.714 42.059 0.046 0.000 1.257 16 L HN 0.014 nan 8.230 nan 0.000 0.435 17 T N -2.527 112.043 114.554 0.027 0.000 2.726 17 T HA 0.059 4.409 4.350 0.000 0.000 0.294 17 T C 1.108 175.816 174.700 0.013 0.000 1.013 17 T CA -0.196 61.915 62.100 0.018 0.000 0.996 17 T CB 0.729 69.605 68.868 0.013 0.000 1.016 17 T HN 0.665 nan 8.240 nan 0.000 0.529 18 T N 0.290 114.849 114.554 0.009 0.000 2.904 18 T HA -0.063 4.287 4.350 0.000 0.000 0.267 18 T C 1.469 176.171 174.700 0.004 0.000 1.059 18 T CA 1.103 63.207 62.100 0.007 0.000 1.137 18 T CB -0.402 68.469 68.868 0.005 0.000 0.879 18 T HN 0.615 nan 8.240 nan 0.000 0.467 19 D N 1.490 121.890 120.400 0.000 0.000 2.084 19 D HA -0.067 4.573 4.640 0.000 0.000 0.194 19 D C 2.220 178.516 176.300 -0.007 0.000 0.990 19 D CA 1.059 55.056 54.000 -0.006 0.000 0.826 19 D CB -0.269 40.524 40.800 -0.011 0.000 0.971 19 D HN 0.490 nan 8.370 nan 0.000 0.453 20 E N 0.275 120.471 120.200 -0.007 0.000 2.097 20 E HA -0.155 4.195 4.350 0.000 0.000 0.196 20 E C 2.327 178.925 176.600 -0.003 0.000 1.000 20 E CA 0.624 57.016 56.400 -0.013 0.000 0.804 20 E CB -0.053 29.641 29.700 -0.011 0.000 0.740 20 E HN 0.333 nan 8.360 nan 0.000 0.454 21 I N 0.409 120.983 120.570 0.006 0.000 2.252 21 I HA -0.223 3.948 4.170 0.000 0.000 0.245 21 I C 2.393 178.520 176.117 0.017 0.000 1.102 21 I CA 0.484 61.792 61.300 0.013 0.000 1.385 21 I CB -0.150 37.858 38.000 0.012 0.000 1.064 21 I HN 0.164 nan 8.210 nan 0.000 0.414 22 L N 1.117 122.347 121.223 0.012 0.000 2.093 22 L HA -0.141 4.199 4.340 0.000 0.000 0.208 22 L C 2.253 179.138 176.870 0.024 0.000 1.085 22 L CA 1.769 56.618 54.840 0.016 0.000 0.755 22 L CB -0.458 41.606 42.059 0.008 0.000 0.904 22 L HN 0.113 nan 8.230 nan 0.000 0.435 23 I N -0.774 119.805 120.570 0.015 0.000 2.179 23 I HA -0.290 3.881 4.170 0.000 0.000 0.242 23 I C 2.741 178.897 176.117 0.065 0.000 1.088 23 I CA 1.377 62.686 61.300 0.016 0.000 1.357 23 I CB -0.410 37.579 38.000 -0.019 0.000 1.051 23 I HN 0.319 nan 8.210 nan 0.000 0.409 24 R N 1.204 121.739 120.500 0.059 0.000 2.070 24 R HA -0.207 4.133 4.340 0.000 0.000 0.232 24 R C 1.849 178.218 176.300 0.115 0.000 1.138 24 R CA 2.272 58.429 56.100 0.096 0.000 0.936 24 R CB -0.324 30.006 30.300 0.051 0.000 0.839 24 R HN 0.309 nan 8.270 nan 0.000 0.429 25 D N -0.283 120.159 120.400 0.071 0.000 2.218 25 D HA -0.108 4.532 4.640 0.000 0.000 0.204 25 D C 1.735 178.083 176.300 0.080 0.000 0.976 25 D CA 1.489 55.524 54.000 0.058 0.000 0.853 25 D CB -0.227 40.594 40.800 0.035 0.000 0.939 25 D HN 0.351 nan 8.370 nan 0.000 0.481 26 T N 0.502 115.117 114.554 0.101 0.000 2.668 26 T HA -0.121 4.229 4.350 0.000 0.000 0.262 26 T C 1.769 176.593 174.700 0.206 0.000 1.045 26 T CA 0.538 62.709 62.100 0.118 0.000 1.152 26 T CB -0.587 68.335 68.868 0.091 0.000 0.864 26 T HN 0.197 nan 8.240 nan 0.000 0.419 27 F N 1.806 121.787 119.950 0.051 0.000 2.171 27 F HA -0.117 4.410 4.527 0.000 0.000 0.300 27 F C 2.717 178.603 175.800 0.145 0.000 1.090 27 F CA 1.044 59.105 58.000 0.103 0.000 1.293 27 F CB 0.017 39.059 39.000 0.070 0.000 1.013 27 F HN -0.039 nan 8.300 nan 0.000 0.486 28 R N -0.012 120.523 120.500 0.059 0.000 2.096 28 R HA -0.149 4.191 4.340 0.000 0.000 0.235 28 R C 1.834 178.096 176.300 -0.063 0.000 1.127 28 R CA 2.041 58.100 56.100 -0.069 0.000 0.968 28 R CB -0.563 29.730 30.300 -0.012 0.000 0.861 28 R HN 0.238 nan 8.270 nan 0.000 0.440 29 T N -0.001 114.562 114.554 0.014 0.000 2.788 29 T HA -0.195 4.155 4.350 0.000 0.000 0.268 29 T C 1.390 176.096 174.700 0.010 0.000 1.044 29 T CA 1.431 63.540 62.100 0.015 0.000 1.139 29 T CB -0.486 68.411 68.868 0.048 0.000 0.867 29 T HN 0.422 nan 8.240 nan 0.000 0.454 30 Y N 1.527 121.783 120.300 -0.073 0.000 2.133 30 Y HA -0.148 4.402 4.550 0.000 0.000 0.287 30 Y C 2.517 178.316 175.900 -0.168 0.000 1.134 30 Y CA 0.409 58.460 58.100 -0.082 0.000 1.133 30 Y CB -1.005 37.455 38.460 -0.001 0.000 0.987 30 Y HN 0.199 nan 8.280 nan 0.000 0.502 31 C N 0.926 119.901 119.300 -0.542 0.000 2.413 31 C HA -0.210 4.250 4.460 0.000 0.000 0.276 31 C C 2.581 177.337 174.990 -0.390 0.000 1.248 31 C CA 1.389 60.040 59.018 -0.611 0.000 1.742 31 C CB -1.024 26.406 27.740 -0.517 0.000 2.017 31 C HN 0.626 nan 8.230 nan 0.000 0.481 32 Q N 0.389 120.037 119.800 -0.252 0.000 2.245 32 Q HA -0.043 4.298 4.340 0.000 0.000 0.201 32 Q C 1.913 177.825 176.000 -0.147 0.000 0.955 32 Q CA 1.129 56.840 55.803 -0.154 0.000 0.870 32 Q CB -0.295 28.390 28.738 -0.088 0.000 0.945 32 Q HN 0.732 nan 8.270 nan 0.000 0.461 33 E N -0.091 120.006 120.200 -0.171 0.000 2.075 33 E HA 0.021 4.371 4.350 0.000 0.000 0.190 33 E C 1.882 178.374 176.600 -0.180 0.000 0.969 33 E CA 0.291 56.614 56.400 -0.129 0.000 0.815 33 E CB 0.324 29.983 29.700 -0.068 0.000 0.776 33 E HN 0.080 nan 8.360 nan 0.000 0.457 34 R N -0.096 120.202 120.500 -0.336 0.000 2.265 34 R HA 0.191 4.531 4.340 0.000 0.000 0.194 34 R C 1.941 177.996 176.300 -0.409 0.000 0.931 34 R CA 0.297 56.176 56.100 -0.368 0.000 1.032 34 R CB 0.523 30.587 30.300 -0.394 0.000 0.980 34 R HN 0.198 nan 8.270 nan 0.000 0.497 35 L N -1.081 119.876 121.223 -0.444 0.000 2.515 35 L HA 0.141 4.481 4.340 0.000 0.000 0.202 35 L C 2.092 178.914 176.870 -0.080 0.000 1.056 35 L CA -0.000 54.672 54.840 -0.280 0.000 0.847 35 L CB -0.288 41.574 42.059 -0.328 0.000 1.131 35 L HN -0.037 nan 8.230 nan 0.000 0.484 36 M N 1.546 121.074 119.600 -0.120 0.000 2.144 36 M HA -0.107 4.373 4.480 0.000 0.000 0.260 36 M C -0.790 175.482 176.300 -0.047 0.000 1.067 36 M CA 2.178 57.429 55.300 -0.083 0.000 1.095 36 M CB -1.047 31.496 32.600 -0.095 0.000 1.365 36 M HN -0.033 nan 8.290 nan 0.000 0.406 37 P HA -0.095 nan 4.420 nan 0.000 0.229 37 P C 0.534 177.836 177.300 0.004 0.000 1.160 37 P CA 1.113 64.201 63.100 -0.020 0.000 0.777 37 P CB -0.278 31.400 31.700 -0.037 0.000 0.814 38 R N -1.266 119.237 120.500 0.004 0.000 2.290 38 R HA 0.167 4.508 4.340 0.000 0.000 0.197 38 R C 1.973 178.357 176.300 0.141 0.000 0.913 38 R CA -0.209 55.917 56.100 0.044 0.000 1.040 38 R CB -1.030 29.233 30.300 -0.061 0.000 0.992 38 R HN -0.026 nan 8.270 nan 0.000 0.500 39 I N 1.680 122.330 120.570 0.134 0.000 2.226 39 I HA -0.200 3.970 4.170 0.000 0.000 0.245 39 I C 1.924 178.081 176.117 0.067 0.000 1.100 39 I CA 0.890 62.243 61.300 0.088 0.000 1.374 39 I CB -0.236 37.751 38.000 -0.022 0.000 1.057 39 I HN 0.273 nan 8.210 nan 0.000 0.413 40 L N 0.351 121.640 121.223 0.109 0.000 1.963 40 L HA -0.252 4.089 4.340 0.000 0.000 0.220 40 L C 2.315 179.219 176.870 0.055 0.000 1.076 40 L CA 2.217 57.114 54.840 0.095 0.000 0.772 40 L CB -0.884 41.235 42.059 0.099 0.000 0.892 40 L HN 0.285 nan 8.230 nan 0.000 0.435 41 L N -1.060 120.205 121.223 0.070 0.000 2.156 41 L HA -0.073 4.267 4.340 0.000 0.000 0.208 41 L C 2.612 179.528 176.870 0.077 0.000 1.095 41 L CA 0.823 55.702 54.840 0.066 0.000 0.770 41 L CB -0.842 41.262 42.059 0.075 0.000 0.914 41 L HN 0.409 nan 8.230 nan 0.000 0.439 42 A N 0.650 123.545 122.820 0.124 0.000 1.902 42 A HA -0.268 4.053 4.320 0.000 0.000 0.217 42 A C 2.059 179.676 177.584 0.054 0.000 1.181 42 A CA 2.317 54.443 52.037 0.148 0.000 0.623 42 A CB -0.686 18.487 19.000 0.288 0.000 0.818 42 A HN 0.495 nan 8.150 nan 0.000 0.443 43 N N -0.724 117.978 118.700 0.004 0.000 2.250 43 N HA -0.119 4.622 4.740 0.000 0.000 0.181 43 N C 1.880 177.360 175.510 -0.049 0.000 1.017 43 N CA 1.338 54.355 53.050 -0.055 0.000 0.866 43 N CB -0.263 38.171 38.487 -0.088 0.000 0.985 43 N HN 0.474 nan 8.380 nan 0.000 0.429 44 R N -0.173 120.316 120.500 -0.018 0.000 2.092 44 R HA 0.063 4.404 4.340 0.000 0.000 0.231 44 R C 0.098 176.383 176.300 -0.024 0.000 1.119 44 R CA 1.296 57.387 56.100 -0.016 0.000 0.970 44 R CB -0.000 30.304 30.300 0.006 0.000 0.864 44 R HN 0.297 nan 8.270 nan 0.000 0.440 45 N N 1.262 119.955 118.700 -0.012 0.000 2.275 45 N HA 0.021 4.761 4.740 0.000 0.000 0.236 45 N C -1.037 174.459 175.510 -0.023 0.000 1.154 45 N CA 0.068 53.109 53.050 -0.015 0.000 0.866 45 N CB 0.888 39.376 38.487 0.002 0.000 1.093 45 N HN 0.211 nan 8.380 nan 0.000 0.515 46 E N 0.380 120.559 120.200 -0.035 0.000 2.197 46 E HA -0.161 4.190 4.350 0.000 0.000 0.184 46 E C -0.934 175.672 176.600 0.010 0.000 1.439 46 E CA 0.300 56.685 56.400 -0.025 0.000 0.688 46 E CB -1.153 28.517 29.700 -0.050 0.000 1.090 46 E HN 0.028 nan 8.360 nan 0.000 0.341 47 V N 2.261 122.193 119.914 0.030 0.000 2.376 47 V HA 0.346 4.467 4.120 0.000 0.000 0.287 47 V C -0.360 175.785 176.094 0.084 0.000 1.015 47 V CA -0.516 61.779 62.300 -0.009 0.000 0.834 47 V CB 0.900 32.659 31.823 -0.107 0.000 1.001 47 V HN 0.372 nan 8.190 nan 0.000 0.428 48 F N 5.064 124.983 119.950 -0.051 0.000 2.308 48 F HA 0.530 5.057 4.527 0.000 0.000 0.370 48 F C 0.637 176.446 175.800 0.015 0.000 1.100 48 F CA -0.717 57.326 58.000 0.071 0.000 1.108 48 F CB 0.347 39.410 39.000 0.105 0.000 1.293 48 F HN 0.622 nan 8.300 nan 0.000 0.478 49 H N 4.818 123.719 119.070 -0.282 0.000 3.091 49 H HA 0.072 4.628 4.556 0.000 0.000 0.289 49 H C 1.348 176.290 175.328 -0.643 0.000 0.995 49 H CA 0.032 55.873 56.048 -0.345 0.000 1.461 49 H CB 0.475 30.118 29.762 -0.197 0.000 1.510 49 H HN 0.508 nan 8.280 nan 0.000 0.546 50 R N 3.130 123.424 120.500 -0.344 0.000 2.127 50 R HA -0.161 4.179 4.340 0.000 0.000 0.238 50 R C 0.909 177.086 176.300 -0.205 0.000 1.134 50 R CA 1.276 57.190 56.100 -0.310 0.000 0.975 50 R CB 0.060 30.282 30.300 -0.131 0.000 0.865 50 R HN 0.719 nan 8.270 nan 0.000 0.447 51 E N 0.579 120.706 120.200 -0.123 0.000 2.114 51 E HA -0.206 4.145 4.350 0.000 0.000 0.199 51 E C 2.017 178.571 176.600 -0.076 0.000 1.008 51 E CA 1.657 58.014 56.400 -0.072 0.000 0.810 51 E CB -0.465 29.209 29.700 -0.044 0.000 0.739 51 E HN 0.367 nan 8.360 nan 0.000 0.456 52 I N 0.523 121.014 120.570 -0.131 0.000 2.121 52 I HA -0.365 3.805 4.170 0.000 0.000 0.243 52 I C 2.062 178.184 176.117 0.009 0.000 1.047 52 I CA 1.120 62.375 61.300 -0.075 0.000 1.308 52 I CB -0.491 37.401 38.000 -0.179 0.000 1.015 52 I HN 0.165 nan 8.210 nan 0.000 0.410 53 I N 0.418 120.984 120.570 -0.007 0.000 2.127 53 I HA -0.264 3.907 4.170 0.000 0.000 0.241 53 I C 2.745 178.865 176.117 0.006 0.000 1.075 53 I CA 1.656 62.981 61.300 0.041 0.000 1.334 53 I CB -1.280 36.753 38.000 0.055 0.000 1.040 53 I HN 0.224 nan 8.210 nan 0.000 0.405 54 S N 0.536 116.228 115.700 -0.013 0.000 2.365 54 S HA -0.235 4.235 4.470 0.000 0.000 0.225 54 S C 1.830 176.410 174.600 -0.035 0.000 1.039 54 S CA 1.528 59.716 58.200 -0.020 0.000 1.033 54 S CB -0.333 62.855 63.200 -0.020 0.000 0.887 54 S HN 0.496 nan 8.310 nan 0.000 0.447 55 E N 0.819 121.003 120.200 -0.028 0.000 2.058 55 E HA -0.151 4.199 4.350 0.000 0.000 0.194 55 E C 2.154 178.650 176.600 -0.173 0.000 0.997 55 E CA 1.375 57.738 56.400 -0.062 0.000 0.801 55 E CB -0.266 29.466 29.700 0.053 0.000 0.746 55 E HN 0.521 nan 8.360 nan 0.000 0.450 56 M N 0.101 119.637 119.600 -0.107 0.000 2.175 56 M HA -0.044 4.436 4.480 0.000 0.000 0.264 56 M C 2.473 178.693 176.300 -0.133 0.000 1.063 56 M CA 1.339 56.559 55.300 -0.133 0.000 1.119 56 M CB -0.367 32.246 32.600 0.022 0.000 1.377 56 M HN 0.188 nan 8.290 nan 0.000 0.415 57 G N 0.759 109.511 108.800 -0.080 0.000 2.421 57 G HA2 -0.197 3.764 3.960 0.000 0.000 0.216 57 G HA3 -0.197 3.764 3.960 0.000 0.000 0.216 57 G C 1.248 176.096 174.900 -0.086 0.000 1.171 57 G CA 0.634 45.692 45.100 -0.070 0.000 0.775 57 G HN 0.523 nan 8.290 nan 0.000 0.543 58 E N -0.341 119.807 120.200 -0.087 0.000 2.515 58 E HA 0.026 4.376 4.350 0.000 0.000 0.201 58 E C 1.480 178.017 176.600 -0.105 0.000 1.071 58 E CA -0.008 56.343 56.400 -0.082 0.000 0.880 58 E CB 0.082 29.741 29.700 -0.067 0.000 0.828 58 E HN 0.289 nan 8.360 nan 0.000 0.540 59 L N -1.059 120.075 121.223 -0.148 0.000 2.664 59 L HA 0.244 4.584 4.340 0.000 0.000 0.233 59 L C 1.426 178.199 176.870 -0.161 0.000 1.113 59 L CA 0.668 55.409 54.840 -0.165 0.000 0.896 59 L CB 0.313 42.225 42.059 -0.246 0.000 1.163 59 L HN 0.158 nan 8.230 nan 0.000 0.497 60 G N 0.047 108.758 108.800 -0.149 0.000 2.153 60 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 60 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 60 G C 0.986 175.773 174.900 -0.188 0.000 0.994 60 G CA 0.639 45.654 45.100 -0.141 0.000 0.698 60 G HN 0.395 nan 8.290 nan 0.000 0.521 61 V N -2.745 117.016 119.914 -0.255 0.000 3.461 61 V HA 0.540 4.660 4.120 0.000 0.000 0.267 61 V C 1.058 177.017 176.094 -0.224 0.000 1.186 61 V CA 0.281 62.378 62.300 -0.339 0.000 1.154 61 V CB -0.051 31.378 31.823 -0.656 0.000 0.802 61 V HN 0.203 nan 8.190 nan 0.000 0.474 62 L N 2.767 123.894 121.223 -0.159 0.000 2.281 62 L HA 0.750 5.090 4.340 0.000 0.000 0.285 62 L C 1.345 178.132 176.870 -0.139 0.000 1.074 62 L CA 0.897 55.670 54.840 -0.111 0.000 0.817 62 L CB 0.123 42.144 42.059 -0.064 0.000 1.168 62 L HN 0.500 nan 8.230 nan 0.000 0.434 63 G N 4.443 113.137 108.800 -0.176 0.000 2.366 63 G HA2 -0.215 3.746 3.960 0.000 0.000 0.299 63 G HA3 -0.215 3.746 3.960 0.000 0.000 0.299 63 G C -1.216 173.534 174.900 -0.250 0.000 1.020 63 G CA 0.145 45.110 45.100 -0.224 0.000 1.026 63 G HN 0.599 nan 8.290 nan 0.000 0.512 64 P HA -0.090 nan 4.420 nan 0.000 0.226 64 P C 1.614 178.781 177.300 -0.222 0.000 1.153 64 P CA 1.823 64.784 63.100 -0.232 0.000 0.777 64 P CB -0.050 31.523 31.700 -0.213 0.000 0.794 65 T N -3.793 110.593 114.554 -0.281 0.000 3.086 65 T HA 0.217 4.567 4.350 0.000 0.000 0.250 65 T C 0.839 175.391 174.700 -0.247 0.000 1.074 65 T CA -0.263 61.702 62.100 -0.224 0.000 0.988 65 T CB -0.627 68.112 68.868 -0.216 0.000 0.988 65 T HN -0.044 nan 8.240 nan 0.000 0.530 66 I N 2.102 122.482 120.570 -0.318 0.000 2.441 66 I HA 0.267 4.438 4.170 0.000 0.000 0.287 66 I C 0.133 176.116 176.117 -0.223 0.000 1.049 66 I CA -0.714 60.309 61.300 -0.461 0.000 1.381 66 I CB 1.027 38.681 38.000 -0.578 0.000 1.409 66 I HN -0.034 nan 8.210 nan 0.000 0.523 67 K N 5.033 125.354 120.400 -0.132 0.000 2.258 67 K HA 0.571 4.891 4.320 0.000 0.000 0.284 67 K C 0.479 177.103 176.600 0.039 0.000 1.051 67 K CA -0.096 56.179 56.287 -0.020 0.000 0.923 67 K CB 1.249 33.759 32.500 0.017 0.000 1.046 67 K HN 0.894 nan 8.250 nan 0.000 0.474 68 G N 1.750 110.533 108.800 -0.027 0.000 2.632 68 G HA2 -0.327 3.634 3.960 0.000 0.000 0.224 68 G HA3 -0.327 3.634 3.960 0.000 0.000 0.224 68 G C -0.352 174.550 174.900 0.004 0.000 1.341 68 G CA -0.160 44.874 45.100 -0.110 0.000 0.880 68 G HN 0.683 nan 8.290 nan 0.000 0.566 69 Y N -1.068 119.234 120.300 0.004 0.000 4.538 69 Y HA -0.125 4.425 4.550 0.000 0.000 0.225 69 Y C 2.534 178.424 175.900 -0.017 0.000 1.074 69 Y CA 2.676 60.781 58.100 0.007 0.000 1.942 69 Y CB -1.664 36.818 38.460 0.036 0.000 1.618 69 Y HN 2.706 nan 8.280 nan 0.000 0.642 70 G N -2.785 106.051 108.800 0.059 0.000 2.175 70 G HA2 -0.311 3.649 3.960 0.000 0.000 0.244 70 G HA3 -0.311 3.649 3.960 0.000 0.000 0.244 70 G C 0.397 175.295 174.900 -0.004 0.000 0.982 70 G CA -0.250 44.863 45.100 0.021 0.000 0.641 70 G HN 0.604 nan 8.290 nan 0.000 0.527 71 C N 0.249 119.547 119.300 -0.003 0.000 2.480 71 C HA 0.719 5.180 4.460 0.000 0.000 0.358 71 C C 2.418 177.365 174.990 -0.071 0.000 1.309 71 C CA 0.384 59.370 59.018 -0.054 0.000 2.465 71 C CB 1.007 28.697 27.740 -0.084 0.000 2.379 71 C HN 0.898 nan 8.230 nan 0.000 0.642 72 A N 0.568 123.330 122.820 -0.098 0.000 1.968 72 A HA 0.340 4.660 4.320 0.000 0.000 0.217 72 A C 1.767 179.299 177.584 -0.087 0.000 1.169 72 A CA 1.346 53.327 52.037 -0.094 0.000 0.638 72 A CB -1.146 17.787 19.000 -0.112 0.000 0.812 72 A HN 2.239 nan 8.150 nan 0.000 0.446 73 G N -0.433 108.305 108.800 -0.104 0.000 2.295 73 G HA2 -0.092 3.868 3.960 0.000 0.000 0.287 73 G HA3 -0.092 3.868 3.960 0.000 0.000 0.287 73 G C 0.377 175.229 174.900 -0.079 0.000 1.055 73 G CA 0.766 45.811 45.100 -0.092 0.000 0.922 73 G HN 1.669 nan 8.290 nan 0.000 0.503 74 V N -2.521 117.339 119.914 -0.091 0.000 3.503 74 V HA 0.942 5.063 4.120 0.000 0.000 0.294 74 V C 1.096 177.153 176.094 -0.062 0.000 1.102 74 V CA 0.112 62.370 62.300 -0.070 0.000 0.979 74 V CB 1.210 32.989 31.823 -0.073 0.000 1.240 74 V HN 1.386 nan 8.190 nan 0.000 0.444 75 S N -0.467 115.208 115.700 -0.041 0.000 2.645 75 S HA 0.286 4.756 4.470 0.000 0.000 0.266 75 S C 1.051 175.647 174.600 -0.006 0.000 1.258 75 S CA 0.219 58.405 58.200 -0.024 0.000 0.990 75 S CB 0.980 64.176 63.200 -0.007 0.000 0.967 75 S HN 0.844 nan 8.310 nan 0.000 0.556 76 S N 0.243 115.944 115.700 0.001 0.000 2.383 76 S HA -0.081 4.390 4.470 0.000 0.000 0.227 76 S C 1.900 176.589 174.600 0.148 0.000 1.026 76 S CA 0.997 59.218 58.200 0.036 0.000 0.981 76 S CB -0.609 62.493 63.200 -0.163 0.000 0.818 76 S HN 0.543 nan 8.310 nan 0.000 0.472 77 V N 2.108 122.066 119.914 0.074 0.000 2.287 77 V HA -0.236 3.884 4.120 0.000 0.000 0.248 77 V C 2.668 178.589 176.094 -0.287 0.000 1.053 77 V CA 1.789 64.052 62.300 -0.063 0.000 1.027 77 V CB -1.214 30.635 31.823 0.042 0.000 0.646 77 V HN 0.547 nan 8.190 nan 0.000 0.447 78 A N -1.341 121.405 122.820 -0.124 0.000 1.940 78 A HA -0.295 4.025 4.320 0.000 0.000 0.219 78 A C 2.195 179.714 177.584 -0.108 0.000 1.176 78 A CA 2.176 54.141 52.037 -0.121 0.000 0.631 78 A CB -0.827 18.135 19.000 -0.063 0.000 0.814 78 A HN 0.718 nan 8.150 nan 0.000 0.446 79 Y N 0.255 120.428 120.300 -0.211 0.000 2.145 79 Y HA -0.121 4.429 4.550 0.000 0.000 0.286 79 Y C 2.494 178.199 175.900 -0.324 0.000 1.145 79 Y CA 0.973 58.969 58.100 -0.173 0.000 1.148 79 Y CB -0.427 38.017 38.460 -0.028 0.000 0.981 79 Y HN 0.334 nan 8.280 nan 0.000 0.507 80 G N 0.878 109.220 108.800 -0.764 0.000 2.459 80 G HA2 -0.287 3.674 3.960 0.000 0.000 0.217 80 G HA3 -0.287 3.674 3.960 0.000 0.000 0.217 80 G C 1.571 175.847 174.900 -1.040 0.000 1.183 80 G CA 1.293 45.383 45.100 -1.682 0.000 0.776 80 G HN 0.433 nan 8.290 nan 0.000 0.552 81 L N -0.035 120.654 121.223 -0.891 0.000 2.081 81 L HA -0.099 4.241 4.340 0.000 0.000 0.212 81 L C 2.961 179.793 176.870 -0.064 0.000 1.080 81 L CA 0.657 55.297 54.840 -0.332 0.000 0.754 81 L CB -0.458 41.477 42.059 -0.206 0.000 0.893 81 L HN 0.210 nan 8.230 nan 0.000 0.433 82 L N -0.523 120.671 121.223 -0.048 0.000 1.994 82 L HA -0.210 4.130 4.340 0.000 0.000 0.208 82 L C 2.944 179.972 176.870 0.263 0.000 1.071 82 L CA 1.288 56.222 54.840 0.158 0.000 0.745 82 L CB -0.792 41.239 42.059 -0.047 0.000 0.892 82 L HN 0.249 nan 8.230 nan 0.000 0.431 83 A N 0.152 122.999 122.820 0.045 0.000 1.865 83 A HA -0.288 4.033 4.320 0.000 0.000 0.217 83 A C 2.421 180.070 177.584 0.108 0.000 1.191 83 A CA 2.083 54.151 52.037 0.052 0.000 0.623 83 A CB -0.725 18.180 19.000 -0.159 0.000 0.826 83 A HN 0.373 nan 8.150 nan 0.000 0.444 84 R N -0.547 120.007 120.500 0.090 0.000 2.103 84 R HA -0.193 4.147 4.340 0.000 0.000 0.242 84 R C 1.876 178.239 176.300 0.105 0.000 1.142 84 R CA 1.848 58.027 56.100 0.131 0.000 0.960 84 R CB -0.237 30.188 30.300 0.208 0.000 0.858 84 R HN 0.498 nan 8.270 nan 0.000 0.439 85 E N 0.638 120.908 120.200 0.117 0.000 2.150 85 E HA -0.176 4.174 4.350 0.000 0.000 0.193 85 E C 2.050 178.637 176.600 -0.023 0.000 0.985 85 E CA 0.744 57.166 56.400 0.037 0.000 0.814 85 E CB -0.181 29.539 29.700 0.034 0.000 0.752 85 E HN 0.433 nan 8.360 nan 0.000 0.466 86 L N 0.512 121.788 121.223 0.087 0.000 2.044 86 L HA -0.161 4.179 4.340 0.000 0.000 0.205 86 L C 2.476 179.411 176.870 0.109 0.000 1.075 86 L CA 1.237 56.141 54.840 0.107 0.000 0.747 86 L CB -0.107 42.132 42.059 0.300 0.000 0.903 86 L HN 0.094 nan 8.230 nan 0.000 0.435 87 E N -0.140 120.128 120.200 0.113 0.000 2.204 87 E HA -0.268 4.082 4.350 0.000 0.000 0.194 87 E C 2.209 178.868 176.600 0.098 0.000 0.989 87 E CA 0.634 57.093 56.400 0.098 0.000 0.824 87 E CB 0.059 29.818 29.700 0.097 0.000 0.756 87 E HN 0.199 nan 8.360 nan 0.000 0.477 88 R N -0.295 120.244 120.500 0.065 0.000 2.193 88 R HA -0.123 4.217 4.340 0.000 0.000 0.229 88 R C 1.574 177.868 176.300 -0.009 0.000 1.110 88 R CA 1.147 57.276 56.100 0.049 0.000 0.988 88 R CB 0.140 30.459 30.300 0.032 0.000 0.871 88 R HN 0.118 nan 8.270 nan 0.000 0.458 89 V N -0.442 119.459 119.914 -0.022 0.000 2.326 89 V HA 0.028 4.148 4.120 0.000 0.000 0.237 89 V C 0.726 176.724 176.094 -0.159 0.000 1.044 89 V CA 1.246 63.489 62.300 -0.096 0.000 1.035 89 V CB 0.001 31.826 31.823 0.003 0.000 0.675 89 V HN 0.337 nan 8.190 nan 0.000 0.470 90 D N -1.786 118.548 120.400 -0.110 0.000 2.886 90 D HA 0.168 4.808 4.640 0.000 0.000 0.216 90 D C 0.369 176.577 176.300 -0.153 0.000 1.256 90 D CA -0.011 53.810 54.000 -0.299 0.000 0.844 90 D CB 2.297 42.751 40.800 -0.576 0.000 1.669 90 D HN 0.019 nan 8.370 nan 0.000 0.513 91 S N 1.421 117.030 115.700 -0.152 0.000 2.399 91 S HA -0.074 4.397 4.470 0.000 0.000 0.231 91 S C 1.813 176.396 174.600 -0.027 0.000 1.022 91 S CA 1.307 59.484 58.200 -0.038 0.000 0.983 91 S CB -0.066 63.110 63.200 -0.039 0.000 0.803 91 S HN 0.667 nan 8.310 nan 0.000 0.480 92 G N 0.597 109.312 108.800 -0.142 0.000 2.480 92 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 92 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 92 G C 1.129 176.018 174.900 -0.019 0.000 1.200 92 G CA 0.776 45.794 45.100 -0.136 0.000 0.782 92 G HN 0.567 nan 8.290 nan 0.000 0.554 93 Y N 0.309 120.602 120.300 -0.012 0.000 2.081 93 Y HA -0.204 4.346 4.550 0.000 0.000 0.280 93 Y C 3.165 179.122 175.900 0.095 0.000 1.163 93 Y CA 1.244 59.393 58.100 0.080 0.000 1.135 93 Y CB -0.181 38.352 38.460 0.121 0.000 0.970 93 Y HN 0.049 nan 8.280 nan 0.000 0.498 94 R N 0.524 121.179 120.500 0.259 0.000 2.105 94 R HA -0.167 4.173 4.340 0.000 0.000 0.239 94 R C 2.210 178.600 176.300 0.150 0.000 1.135 94 R CA 1.685 57.905 56.100 0.201 0.000 0.967 94 R CB -0.420 29.973 30.300 0.155 0.000 0.861 94 R HN 0.239 nan 8.270 nan 0.000 0.442 95 S N 0.283 116.054 115.700 0.117 0.000 2.368 95 S HA -0.126 4.344 4.470 0.000 0.000 0.225 95 S C 1.937 176.557 174.600 0.035 0.000 1.030 95 S CA 1.283 59.528 58.200 0.074 0.000 0.999 95 S CB -0.156 63.102 63.200 0.096 0.000 0.844 95 S HN 0.563 nan 8.310 nan 0.000 0.459 96 A N 1.187 124.028 122.820 0.034 0.000 1.930 96 A HA 0.042 4.362 4.320 0.000 0.000 0.217 96 A C 2.055 179.709 177.584 0.115 0.000 1.175 96 A CA 1.238 53.297 52.037 0.036 0.000 0.627 96 A CB -0.478 18.522 19.000 0.001 0.000 0.815 96 A HN 0.471 nan 8.150 nan 0.000 0.443 97 M N -0.059 119.636 119.600 0.157 0.000 2.319 97 M HA -0.052 4.429 4.480 0.000 0.000 0.265 97 M C 1.690 178.074 176.300 0.140 0.000 1.068 97 M CA 1.622 57.019 55.300 0.162 0.000 1.118 97 M CB -0.508 32.220 32.600 0.213 0.000 1.395 97 M HN 0.380 nan 8.290 nan 0.000 0.435 98 S N -0.008 115.769 115.700 0.128 0.000 2.414 98 S HA -0.050 4.420 4.470 0.000 0.000 0.227 98 S C 1.878 176.515 174.600 0.061 0.000 1.022 98 S CA 0.912 59.189 58.200 0.129 0.000 0.958 98 S CB -0.195 63.052 63.200 0.078 0.000 0.797 98 S HN 0.362 nan 8.310 nan 0.000 0.493 99 V N 1.864 121.793 119.914 0.024 0.000 2.270 99 V HA -0.193 3.927 4.120 0.000 0.000 0.245 99 V C 2.615 178.736 176.094 0.046 0.000 1.043 99 V CA 1.935 64.239 62.300 0.006 0.000 1.014 99 V CB -0.755 31.079 31.823 0.017 0.000 0.645 99 V HN 0.361 nan 8.190 nan 0.000 0.447 100 Q N 0.533 120.367 119.800 0.056 0.000 2.045 100 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 100 Q C 2.296 178.317 176.000 0.035 0.000 0.991 100 Q CA 2.719 58.551 55.803 0.049 0.000 0.851 100 Q CB -0.437 28.334 28.738 0.056 0.000 0.911 100 Q HN 0.654 nan 8.270 nan 0.000 0.418 101 S N -0.725 114.990 115.700 0.024 0.000 2.325 101 S HA -0.043 4.427 4.470 0.000 0.000 0.213 101 S C 2.057 176.648 174.600 -0.014 0.000 1.031 101 S CA 1.188 59.366 58.200 -0.037 0.000 0.984 101 S CB -0.461 62.678 63.200 -0.101 0.000 0.939 101 S HN 0.371 nan 8.310 nan 0.000 0.438 102 S N 1.120 116.831 115.700 0.019 0.000 2.470 102 S HA 0.255 4.725 4.470 0.000 0.000 0.225 102 S C 1.496 176.118 174.600 0.037 0.000 1.006 102 S CA 0.485 58.694 58.200 0.015 0.000 0.934 102 S CB -0.120 63.100 63.200 0.033 0.000 0.778 102 S HN 0.288 nan 8.310 nan 0.000 0.517 103 L N 0.196 121.436 121.223 0.028 0.000 2.616 103 L HA 0.245 4.585 4.340 0.000 0.000 0.229 103 L C 1.200 178.279 176.870 0.349 0.000 1.110 103 L CA 0.086 54.960 54.840 0.056 0.000 0.884 103 L CB 0.214 42.112 42.059 -0.267 0.000 1.115 103 L HN 0.162 nan 8.230 nan 0.000 0.481 104 V N -1.359 118.689 119.914 0.222 0.000 3.264 104 V HA 0.035 4.155 4.120 0.000 0.000 0.217 104 V C 2.031 178.208 176.094 0.138 0.000 1.236 104 V CA 0.402 62.809 62.300 0.179 0.000 1.287 104 V CB 0.064 31.939 31.823 0.086 0.000 1.241 104 V HN 0.128 nan 8.190 nan 0.000 0.518 105 M N 0.419 120.073 119.600 0.091 0.000 2.067 105 M HA -0.186 4.295 4.480 0.000 0.000 0.260 105 M C 2.347 178.703 176.300 0.094 0.000 1.069 105 M CA 2.401 57.733 55.300 0.053 0.000 1.117 105 M CB -0.893 31.703 32.600 -0.007 0.000 1.334 105 M HN 0.538 nan 8.290 nan 0.000 0.407 106 H N 1.235 120.329 119.070 0.039 0.000 2.289 106 H HA -0.129 4.427 4.556 0.000 0.000 0.294 106 H C -0.909 174.525 175.328 0.176 0.000 1.095 106 H CA 2.420 58.515 56.048 0.079 0.000 1.256 106 H CB -1.543 28.256 29.762 0.062 0.000 1.359 106 H HN 0.166 nan 8.280 nan 0.000 0.487 107 P HA -0.128 nan 4.420 nan 0.000 0.217 107 P C 2.158 179.593 177.300 0.226 0.000 1.150 107 P CA 1.274 64.657 63.100 0.473 0.000 0.832 107 P CB -0.144 31.997 31.700 0.736 0.000 0.787 108 I N -1.287 119.357 120.570 0.123 0.000 2.163 108 I HA -0.279 3.891 4.170 0.000 0.000 0.243 108 I C 2.814 178.907 176.117 -0.040 0.000 1.085 108 I CA 1.744 63.063 61.300 0.032 0.000 1.347 108 I CB -0.831 37.176 38.000 0.012 0.000 1.044 108 I HN -0.102 nan 8.210 nan 0.000 0.408 109 Y N 1.411 121.580 120.300 -0.217 0.000 2.224 109 Y HA -0.206 4.344 4.550 0.000 0.000 0.289 109 Y C 2.287 177.990 175.900 -0.329 0.000 1.146 109 Y CA 1.630 59.544 58.100 -0.310 0.000 1.182 109 Y CB -0.093 38.190 38.460 -0.295 0.000 0.983 109 Y HN 0.109 nan 8.280 nan 0.000 0.524 110 A N -2.029 120.497 122.820 -0.489 0.000 2.085 110 A HA 0.114 4.434 4.320 0.000 0.000 0.208 110 A C 1.213 178.376 177.584 -0.702 0.000 1.191 110 A CA 0.565 52.153 52.037 -0.748 0.000 0.799 110 A CB -0.516 17.883 19.000 -1.001 0.000 0.877 110 A HN 0.581 nan 8.150 nan 0.000 0.473 111 Y N -0.536 119.689 120.300 -0.125 0.000 2.444 111 Y HA 0.338 4.888 4.550 0.000 0.000 0.252 111 Y C 1.760 177.610 175.900 -0.085 0.000 1.091 111 Y CA -0.418 57.643 58.100 -0.064 0.000 1.276 111 Y CB 0.015 38.494 38.460 0.032 0.000 1.170 111 Y HN 0.277 nan 8.280 nan 0.000 0.517 112 G N 0.763 109.571 108.800 0.014 0.000 2.616 112 G HA2 0.342 4.302 3.960 0.000 0.000 0.268 112 G HA3 0.342 4.302 3.960 0.000 0.000 0.268 112 G C 0.111 174.981 174.900 -0.049 0.000 1.213 112 G CA -0.165 44.924 45.100 -0.018 0.000 0.926 112 G HN 0.214 nan 8.290 nan 0.000 0.523 113 S N -1.089 114.597 115.700 -0.024 0.000 2.681 113 S HA 0.226 4.697 4.470 0.000 0.000 0.270 113 S C 1.138 175.725 174.600 -0.021 0.000 1.209 113 S CA 0.142 58.330 58.200 -0.021 0.000 0.988 113 S CB 1.658 64.859 63.200 0.001 0.000 1.006 113 S HN 0.623 nan 8.310 nan 0.000 0.558 114 E N 0.342 120.539 120.200 -0.006 0.000 2.150 114 E HA -0.139 4.211 4.350 0.000 0.000 0.193 114 E C 1.826 178.448 176.600 0.037 0.000 0.985 114 E CA 1.625 58.040 56.400 0.025 0.000 0.814 114 E CB -0.330 29.392 29.700 0.038 0.000 0.752 114 E HN 0.802 nan 8.360 nan 0.000 0.466 115 E N -0.235 119.979 120.200 0.023 0.000 2.110 115 E HA -0.243 4.107 4.350 0.000 0.000 0.193 115 E C 1.949 178.557 176.600 0.014 0.000 0.988 115 E CA 1.304 57.714 56.400 0.017 0.000 0.804 115 E CB 0.041 29.749 29.700 0.014 0.000 0.745 115 E HN 0.444 nan 8.360 nan 0.000 0.458 116 Q N -0.214 119.613 119.800 0.045 0.000 2.096 116 Q HA -0.065 4.275 4.340 0.000 0.000 0.197 116 Q C 2.325 178.388 176.000 0.105 0.000 0.964 116 Q CA 0.678 56.558 55.803 0.128 0.000 0.838 116 Q CB -0.113 28.725 28.738 0.167 0.000 0.906 116 Q HN 0.129 nan 8.270 nan 0.000 0.444 117 R N 0.442 120.941 120.500 -0.002 0.000 2.103 117 R HA -0.167 4.173 4.340 0.000 0.000 0.242 117 R C 2.341 178.609 176.300 -0.052 0.000 1.142 117 R CA 1.355 57.362 56.100 -0.154 0.000 0.960 117 R CB 0.011 30.108 30.300 -0.337 0.000 0.858 117 R HN 0.293 nan 8.270 nan 0.000 0.439 118 Q N 0.281 120.125 119.800 0.073 0.000 2.049 118 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 118 Q C 1.961 177.974 176.000 0.022 0.000 0.971 118 Q CA 1.230 57.108 55.803 0.124 0.000 0.833 118 Q CB -0.218 28.577 28.738 0.095 0.000 0.896 118 Q HN 0.288 nan 8.270 nan 0.000 0.434 119 K N -0.281 120.071 120.400 -0.080 0.000 2.026 119 K HA -0.168 4.152 4.320 0.000 0.000 0.208 119 K C 1.693 178.108 176.600 -0.308 0.000 1.048 119 K CA 1.396 57.523 56.287 -0.267 0.000 0.929 119 K CB -0.001 32.207 32.500 -0.486 0.000 0.713 119 K HN 0.116 nan 8.250 nan 0.000 0.439 120 Y N 0.502 120.805 120.300 0.004 0.000 2.396 120 Y HA 0.087 4.637 4.550 0.000 0.000 0.292 120 Y C 2.057 177.954 175.900 -0.005 0.000 1.128 120 Y CA 0.188 58.288 58.100 -0.000 0.000 1.194 120 Y CB -0.233 38.223 38.460 -0.007 0.000 1.124 120 Y HN -0.088 nan 8.280 nan 0.000 0.543 121 L N 0.315 121.615 121.223 0.128 0.000 1.978 121 L HA -0.237 4.103 4.340 0.000 0.000 0.218 121 L C -0.438 176.481 176.870 0.082 0.000 1.075 121 L CA 1.945 56.821 54.840 0.060 0.000 0.767 121 L CB -1.886 40.144 42.059 -0.050 0.000 0.890 121 L HN 0.186 nan 8.230 nan 0.000 0.434 122 P HA -0.201 nan 4.420 nan 0.000 0.215 122 P C 1.564 178.893 177.300 0.048 0.000 1.157 122 P CA 1.398 64.542 63.100 0.073 0.000 0.874 122 P CB -0.031 31.709 31.700 0.067 0.000 0.790 123 Q N -0.913 118.920 119.800 0.055 0.000 2.084 123 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 123 Q C 2.235 178.265 176.000 0.050 0.000 0.978 123 Q CA 1.201 57.034 55.803 0.051 0.000 0.844 123 Q CB -0.720 28.058 28.738 0.068 0.000 0.898 123 Q HN 0.298 nan 8.270 nan 0.000 0.426 124 L N 0.215 121.476 121.223 0.064 0.000 1.994 124 L HA -0.166 4.174 4.340 0.000 0.000 0.208 124 L C 2.587 179.466 176.870 0.015 0.000 1.071 124 L CA 0.980 55.846 54.840 0.042 0.000 0.745 124 L CB -0.775 41.310 42.059 0.044 0.000 0.892 124 L HN 0.205 nan 8.230 nan 0.000 0.431 125 A N -0.192 122.633 122.820 0.008 0.000 2.042 125 A HA -0.284 4.036 4.320 0.000 0.000 0.222 125 A C 2.321 179.891 177.584 -0.023 0.000 1.167 125 A CA 2.118 54.145 52.037 -0.017 0.000 0.649 125 A CB -0.468 18.526 19.000 -0.010 0.000 0.809 125 A HN 0.362 nan 8.150 nan 0.000 0.457 126 K N -1.834 118.562 120.400 -0.007 0.000 2.393 126 K HA 0.235 4.556 4.320 0.000 0.000 0.193 126 K C 0.938 177.531 176.600 -0.012 0.000 1.026 126 K CA 0.675 56.954 56.287 -0.014 0.000 1.064 126 K CB -0.112 32.384 32.500 -0.005 0.000 0.833 126 K HN 0.680 nan 8.250 nan 0.000 0.521 127 G N 1.614 110.413 108.800 -0.001 0.000 2.160 127 G HA2 -0.272 3.688 3.960 0.000 0.000 0.251 127 G HA3 -0.272 3.688 3.960 0.000 0.000 0.251 127 G C 0.188 175.094 174.900 0.011 0.000 1.008 127 G CA 0.628 45.732 45.100 0.007 0.000 0.724 127 G HN 0.548 nan 8.290 nan 0.000 0.514 128 E N -0.938 119.272 120.200 0.017 0.000 2.442 128 E HA 0.272 4.622 4.350 0.000 0.000 0.195 128 E C 0.807 177.427 176.600 0.033 0.000 1.030 128 E CA 0.276 56.688 56.400 0.020 0.000 0.869 128 E CB 0.429 30.141 29.700 0.020 0.000 0.857 128 E HN 0.511 nan 8.360 nan 0.000 0.505 129 L N 2.076 123.323 121.223 0.040 0.000 2.406 129 L HA 0.329 4.670 4.340 0.000 0.000 0.270 129 L C -1.077 175.808 176.870 0.025 0.000 0.982 129 L CA -0.927 53.941 54.840 0.047 0.000 0.843 129 L CB 1.810 43.921 42.059 0.087 0.000 1.225 129 L HN 0.036 nan 8.230 nan 0.000 0.412 130 L N 3.362 124.590 121.223 0.009 0.000 2.278 130 L HA 0.663 5.003 4.340 0.000 0.000 0.287 130 L C 0.479 177.306 176.870 -0.072 0.000 1.072 130 L CA 0.386 55.226 54.840 -0.001 0.000 0.819 130 L CB 1.117 43.190 42.059 0.024 0.000 1.176 130 L HN 0.544 nan 8.230 nan 0.000 0.435 131 G N 3.516 112.277 108.800 -0.065 0.000 2.653 131 G HA2 0.669 4.630 3.960 0.000 0.000 0.309 131 G HA3 0.669 4.630 3.960 0.000 0.000 0.309 131 G C -1.142 173.684 174.900 -0.124 0.000 1.280 131 G CA -0.037 44.982 45.100 -0.135 0.000 1.032 131 G HN 1.036 nan 8.290 nan 0.000 0.504 132 C N -2.682 116.541 119.300 -0.129 0.000 3.285 132 C HA 0.784 5.244 4.460 0.000 0.000 0.325 132 C C -1.271 173.804 174.990 0.142 0.000 1.304 132 C CA -1.446 57.566 59.018 -0.010 0.000 1.319 132 C CB 0.761 28.445 27.740 -0.093 0.000 1.640 132 C HN 0.706 nan 8.230 nan 0.000 0.477 133 F N 1.675 121.661 119.950 0.061 0.000 2.426 133 F HA 0.672 5.199 4.527 0.000 0.000 0.348 133 F C 0.426 176.338 175.800 0.186 0.000 1.124 133 F CA 0.109 58.199 58.000 0.149 0.000 1.008 133 F CB 1.458 40.561 39.000 0.172 0.000 1.139 133 F HN 1.093 nan 8.300 nan 0.000 0.452 134 G N 6.855 115.647 108.800 -0.013 0.000 2.716 134 G HA2 0.435 4.396 3.960 0.000 0.000 0.333 134 G HA3 0.435 4.396 3.960 0.000 0.000 0.333 134 G C -0.543 174.388 174.900 0.051 0.000 1.168 134 G CA -0.277 44.867 45.100 0.072 0.000 1.064 134 G HN 0.754 nan 8.290 nan 0.000 0.479 135 L N 2.209 123.525 121.223 0.155 0.000 2.586 135 L HA 0.396 4.736 4.340 0.000 0.000 0.204 135 L C 1.387 178.365 176.870 0.180 0.000 1.053 135 L CA 0.829 55.771 54.840 0.170 0.000 0.856 135 L CB 0.036 42.240 42.059 0.241 0.000 1.192 135 L HN 0.301 nan 8.230 nan 0.000 0.484 136 T N 1.895 116.583 114.554 0.223 0.000 2.940 136 T HA 0.234 4.584 4.350 0.000 0.000 0.309 136 T C -0.283 174.524 174.700 0.179 0.000 1.056 136 T CA 0.137 62.363 62.100 0.211 0.000 1.137 136 T CB 0.368 69.395 68.868 0.265 0.000 0.976 136 T HN 0.253 nan 8.240 nan 0.000 0.547 137 E N 2.536 122.831 120.200 0.158 0.000 2.369 137 E HA 0.241 4.591 4.350 0.000 0.000 0.270 137 E C -1.957 174.724 176.600 0.136 0.000 0.909 137 E CA -2.348 54.126 56.400 0.123 0.000 0.775 137 E CB 1.860 31.614 29.700 0.089 0.000 1.270 137 E HN 0.193 nan 8.360 nan 0.000 0.445 138 P HA -0.164 nan 4.420 nan 0.000 0.218 138 P C 0.191 177.557 177.300 0.111 0.000 1.146 138 P CA 1.543 64.710 63.100 0.112 0.000 0.820 138 P CB 0.151 31.887 31.700 0.061 0.000 0.778 139 N N -2.397 116.356 118.700 0.090 0.000 2.205 139 N HA 0.124 4.864 4.740 0.000 0.000 0.201 139 N C -0.500 175.059 175.510 0.081 0.000 1.128 139 N CA -0.003 53.094 53.050 0.078 0.000 0.867 139 N CB 0.429 38.951 38.487 0.058 0.000 0.996 139 N HN -0.081 nan 8.380 nan 0.000 0.503 140 S N -0.467 115.291 115.700 0.096 0.000 2.774 140 S HA 0.453 4.923 4.470 0.000 0.000 0.297 140 S C 0.410 175.081 174.600 0.117 0.000 1.143 140 S CA -0.824 57.433 58.200 0.095 0.000 1.090 140 S CB 1.724 64.975 63.200 0.086 0.000 1.019 140 S HN 0.365 nan 8.310 nan 0.000 0.482 141 G N 1.467 110.331 108.800 0.107 0.000 2.472 141 G HA2 0.089 4.049 3.960 0.000 0.000 0.199 141 G HA3 0.089 4.049 3.960 0.000 0.000 0.199 141 G C 1.060 176.015 174.900 0.091 0.000 1.547 141 G CA -0.123 45.044 45.100 0.112 0.000 0.701 141 G HN 0.547 nan 8.290 nan 0.000 0.623 142 S N 0.416 116.158 115.700 0.070 0.000 2.481 142 S HA 0.053 4.523 4.470 0.000 0.000 0.231 142 S C 0.354 174.983 174.600 0.048 0.000 0.996 142 S CA 0.730 58.961 58.200 0.052 0.000 0.942 142 S CB 0.049 63.283 63.200 0.057 0.000 0.768 142 S HN 0.408 nan 8.310 nan 0.000 0.520 143 D N 0.658 121.094 120.400 0.061 0.000 2.483 143 D HA 0.331 4.971 4.640 0.000 0.000 0.281 143 D C -2.245 174.096 176.300 0.069 0.000 1.174 143 D CA -2.315 51.716 54.000 0.051 0.000 0.938 143 D CB 1.017 41.844 40.800 0.045 0.000 1.002 143 D HN -0.054 nan 8.370 nan 0.000 0.501 144 P HA -0.085 nan 4.420 nan 0.000 0.230 144 P C 1.094 178.418 177.300 0.041 0.000 1.158 144 P CA 0.661 63.817 63.100 0.094 0.000 0.769 144 P CB 0.188 31.984 31.700 0.160 0.000 0.807 145 S N -1.486 114.235 115.700 0.035 0.000 2.561 145 S HA -0.029 4.441 4.470 0.000 0.000 0.225 145 S C 1.631 176.239 174.600 0.013 0.000 0.977 145 S CA 0.810 59.012 58.200 0.003 0.000 0.926 145 S CB -1.057 62.142 63.200 -0.003 0.000 0.769 145 S HN 0.202 nan 8.310 nan 0.000 0.533 146 S N 1.466 117.183 115.700 0.028 0.000 2.540 146 S HA 0.323 4.793 4.470 0.000 0.000 0.218 146 S C 0.748 175.371 174.600 0.037 0.000 0.977 146 S CA -0.732 57.486 58.200 0.031 0.000 0.918 146 S CB -0.840 62.381 63.200 0.036 0.000 0.806 146 S HN 0.717 nan 8.310 nan 0.000 0.496 147 M N 0.775 120.399 119.600 0.041 0.000 2.245 147 M HA 0.230 4.710 4.480 0.000 0.000 0.335 147 M C 0.416 176.740 176.300 0.040 0.000 1.155 147 M CA 0.662 55.991 55.300 0.049 0.000 1.055 147 M CB 0.155 32.788 32.600 0.056 0.000 1.670 147 M HN 0.021 nan 8.290 nan 0.000 0.447 148 E N 0.683 120.906 120.200 0.038 0.000 2.415 148 E HA 0.075 4.425 4.350 0.000 0.000 0.197 148 E C -0.194 176.419 176.600 0.021 0.000 1.007 148 E CA 0.135 56.552 56.400 0.028 0.000 0.890 148 E CB 0.468 30.183 29.700 0.024 0.000 0.891 148 E HN 0.812 nan 8.360 nan 0.000 0.496 149 T N 2.795 117.363 114.554 0.023 0.000 2.831 149 T HA 0.052 4.403 4.350 0.000 0.000 0.291 149 T C 0.159 174.862 174.700 0.006 0.000 0.981 149 T CA 0.312 62.415 62.100 0.006 0.000 1.174 149 T CB 0.299 69.170 68.868 0.006 0.000 0.929 149 T HN -0.072 nan 8.240 nan 0.000 0.532 150 R N 1.637 122.131 120.500 -0.010 0.000 2.664 150 R HA 0.746 5.086 4.340 0.000 0.000 0.286 150 R C -0.541 175.739 176.300 -0.033 0.000 0.967 150 R CA -0.956 55.147 56.100 0.004 0.000 0.933 150 R CB 1.885 32.197 30.300 0.022 0.000 1.146 150 R HN 0.661 nan 8.270 nan 0.000 0.468 151 A N 1.727 124.543 122.820 -0.007 0.000 2.304 151 A HA 0.373 4.693 4.320 0.000 0.000 0.314 151 A C -1.115 176.604 177.584 0.224 0.000 1.187 151 A CA -0.582 51.423 52.037 -0.053 0.000 0.810 151 A CB 0.541 19.327 19.000 -0.357 0.000 1.183 151 A HN 0.728 nan 8.150 nan 0.000 0.487 152 H N 1.904 121.043 119.070 0.115 0.000 2.488 152 H HA 0.480 5.036 4.556 0.000 0.000 0.322 152 H C -1.324 174.081 175.328 0.128 0.000 1.078 152 H CA -0.582 55.541 56.048 0.124 0.000 1.260 152 H CB 0.507 30.285 29.762 0.026 0.000 1.425 152 H HN 0.581 nan 8.280 nan 0.000 0.471 153 Y N 5.077 125.088 120.300 -0.483 0.000 2.359 153 Y HA 0.236 4.786 4.550 0.000 0.000 0.334 153 Y C -0.661 174.730 175.900 -0.850 0.000 1.058 153 Y CA -0.595 57.019 58.100 -0.810 0.000 1.244 153 Y CB 0.474 38.558 38.460 -0.628 0.000 1.187 153 Y HN 0.661 nan 8.280 nan 0.000 0.510 154 N N 4.793 122.776 118.700 -1.195 0.000 2.609 154 N HA 0.054 4.794 4.740 0.000 0.000 0.234 154 N C 0.816 175.690 175.510 -1.060 0.000 1.001 154 N CA 0.298 52.815 53.050 -0.888 0.000 0.926 154 N CB 1.456 39.649 38.487 -0.491 0.000 1.130 154 N HN 0.821 nan 8.380 nan 0.000 0.510 155 S N 1.397 116.531 115.700 -0.943 0.000 2.374 155 S HA -0.261 4.209 4.470 0.000 0.000 0.227 155 S C 2.080 176.477 174.600 -0.339 0.000 1.037 155 S CA 1.689 59.514 58.200 -0.625 0.000 1.024 155 S CB -0.432 62.618 63.200 -0.251 0.000 0.861 155 S HN 0.557 nan 8.310 nan 0.000 0.456 156 S N 4.270 119.813 115.700 -0.262 0.000 2.368 156 S HA -0.254 4.216 4.470 0.000 0.000 0.226 156 S C 1.606 176.121 174.600 -0.142 0.000 1.044 156 S CA 1.572 59.676 58.200 -0.160 0.000 1.062 156 S CB -1.020 62.103 63.200 -0.129 0.000 0.931 156 S HN 0.888 nan 8.310 nan 0.000 0.440 157 N N 0.356 118.948 118.700 -0.180 0.000 2.200 157 N HA 0.123 4.863 4.740 0.000 0.000 0.224 157 N C 0.126 175.562 175.510 -0.124 0.000 1.179 157 N CA 0.291 53.268 53.050 -0.122 0.000 0.877 157 N CB 0.012 38.442 38.487 -0.096 0.000 1.072 157 N HN 0.585 nan 8.380 nan 0.000 0.519 158 K N 0.658 120.925 120.400 -0.222 0.000 3.071 158 K HA -0.209 4.111 4.320 0.000 0.000 0.265 158 K C -0.605 175.968 176.600 -0.046 0.000 1.060 158 K CA 0.773 56.987 56.287 -0.121 0.000 0.767 158 K CB -1.542 31.007 32.500 0.082 0.000 1.241 158 K HN 0.646 nan 8.250 nan 0.000 0.486 159 S N -1.050 114.518 115.700 -0.220 0.000 2.766 159 S HA 0.707 5.178 4.470 0.000 0.000 0.307 159 S C -0.550 173.931 174.600 -0.198 0.000 1.121 159 S CA -0.853 57.305 58.200 -0.069 0.000 0.980 159 S CB 1.193 64.365 63.200 -0.047 0.000 1.159 159 S HN 0.234 nan 8.310 nan 0.000 0.546 160 Y N -0.509 119.790 120.300 -0.001 0.000 2.462 160 Y HA 0.484 5.034 4.550 0.000 0.000 0.346 160 Y C -0.036 175.777 175.900 -0.145 0.000 0.976 160 Y CA -0.673 57.388 58.100 -0.065 0.000 1.044 160 Y CB 2.621 41.032 38.460 -0.081 0.000 1.230 160 Y HN 0.660 nan 8.280 nan 0.000 0.455 161 T N 5.072 119.647 114.554 0.035 0.000 2.801 161 T HA 0.426 4.776 4.350 0.000 0.000 0.306 161 T C -0.622 174.048 174.700 -0.051 0.000 1.020 161 T CA -0.544 61.552 62.100 -0.008 0.000 0.948 161 T CB -0.119 68.776 68.868 0.045 0.000 0.962 161 T HN 0.187 nan 8.240 nan 0.000 0.465 162 L N 4.195 125.325 121.223 -0.155 0.000 2.350 162 L HA 0.444 4.784 4.340 0.000 0.000 0.275 162 L C 0.603 177.402 176.870 -0.118 0.000 1.099 162 L CA -0.014 54.703 54.840 -0.204 0.000 0.808 162 L CB 0.547 42.408 42.059 -0.331 0.000 1.149 162 L HN 0.526 nan 8.230 nan 0.000 0.442 163 N N 2.217 120.864 118.700 -0.090 0.000 2.480 163 N HA 0.760 5.500 4.740 0.000 0.000 0.289 163 N C -0.432 175.048 175.510 -0.049 0.000 1.073 163 N CA -0.246 52.768 53.050 -0.061 0.000 0.885 163 N CB 2.411 40.873 38.487 -0.042 0.000 1.421 163 N HN 0.768 nan 8.380 nan 0.000 0.503 164 G N 0.138 108.910 108.800 -0.047 0.000 2.315 164 G HA2 0.329 4.289 3.960 0.000 0.000 0.294 164 G HA3 0.329 4.289 3.960 0.000 0.000 0.294 164 G C -1.761 173.124 174.900 -0.026 0.000 1.300 164 G CA -0.435 44.648 45.100 -0.028 0.000 0.843 164 G HN 0.234 nan 8.290 nan 0.000 0.527 165 T N 1.451 116.001 114.554 -0.007 0.000 2.937 165 T HA 0.581 4.931 4.350 0.000 0.000 0.297 165 T C -0.860 173.854 174.700 0.023 0.000 0.991 165 T CA -0.746 61.352 62.100 -0.002 0.000 0.990 165 T CB 1.678 70.542 68.868 -0.006 0.000 0.991 165 T HN 0.411 nan 8.240 nan 0.000 0.440 166 K N 2.199 122.618 120.400 0.032 0.000 2.206 166 K HA 0.699 5.019 4.320 0.000 0.000 0.264 166 K C -0.040 176.596 176.600 0.060 0.000 0.967 166 K CA -0.616 55.713 56.287 0.070 0.000 0.844 166 K CB 2.213 34.768 32.500 0.091 0.000 1.099 166 K HN 0.588 nan 8.250 nan 0.000 0.441 167 T N 0.084 114.684 114.554 0.077 0.000 2.926 167 T HA 0.437 4.788 4.350 0.000 0.000 0.289 167 T C -0.844 173.937 174.700 0.135 0.000 1.054 167 T CA -0.325 61.771 62.100 -0.007 0.000 1.015 167 T CB 0.272 69.065 68.868 -0.125 0.000 1.167 167 T HN 0.714 nan 8.240 nan 0.000 0.526 168 W N 1.503 122.857 121.300 0.090 0.000 5.563 168 W HA -0.119 4.541 4.660 0.000 0.000 0.396 168 W C -0.474 176.111 176.519 0.110 0.000 1.519 168 W CA -0.419 56.985 57.345 0.099 0.000 0.953 168 W CB -1.279 28.247 29.460 0.111 0.000 2.691 168 W HN 0.319 nan 8.180 nan 0.000 1.444 169 I N 0.980 121.696 120.570 0.243 0.000 2.307 169 I HA 0.137 4.307 4.170 0.000 0.000 0.289 169 I C 1.143 177.359 176.117 0.165 0.000 1.021 169 I CA -0.440 60.987 61.300 0.212 0.000 1.224 169 I CB 0.304 38.415 38.000 0.185 0.000 1.376 169 I HN -0.186 nan 8.210 nan 0.000 0.470 170 T N 7.374 122.017 114.554 0.148 0.000 2.867 170 T HA 0.060 4.410 4.350 0.000 0.000 0.297 170 T C 1.038 175.769 174.700 0.052 0.000 0.989 170 T CA 0.343 62.493 62.100 0.083 0.000 1.159 170 T CB 0.094 68.985 68.868 0.039 0.000 0.928 170 T HN 0.607 nan 8.240 nan 0.000 0.538 171 N N 0.530 119.250 118.700 0.033 0.000 2.967 171 N HA -0.246 4.495 4.740 0.000 0.000 0.218 171 N C 1.651 177.168 175.510 0.011 0.000 0.870 171 N CA 1.548 54.621 53.050 0.037 0.000 1.030 171 N CB -1.638 36.865 38.487 0.027 0.000 1.027 171 N HN 0.761 nan 8.380 nan 0.000 0.603 172 S N 0.343 116.065 115.700 0.037 0.000 2.374 172 S HA -0.079 4.391 4.470 0.000 0.000 0.227 172 S C -0.724 173.954 174.600 0.130 0.000 1.037 172 S CA 1.689 59.936 58.200 0.077 0.000 1.024 172 S CB -1.073 62.249 63.200 0.205 0.000 0.861 172 S HN 0.234 nan 8.310 nan 0.000 0.456 173 P HA -0.073 nan 4.420 nan 0.000 0.215 173 P C 1.470 178.836 177.300 0.110 0.000 1.153 173 P CA 1.448 64.616 63.100 0.112 0.000 0.853 173 P CB -0.225 31.528 31.700 0.088 0.000 0.788 174 M N -3.366 116.291 119.600 0.095 0.000 2.560 174 M HA 0.496 4.976 4.480 0.000 0.000 0.297 174 M C 0.307 176.627 176.300 0.034 0.000 1.201 174 M CA -0.497 54.852 55.300 0.083 0.000 0.973 174 M CB 0.331 32.995 32.600 0.107 0.000 1.401 174 M HN -0.293 nan 8.290 nan 0.000 0.497 175 A N 1.007 123.796 122.820 -0.051 0.000 2.371 175 A HA 0.324 4.644 4.320 0.000 0.000 0.257 175 A C 0.243 177.715 177.584 -0.187 0.000 1.089 175 A CA -0.361 51.522 52.037 -0.256 0.000 0.794 175 A CB 0.524 19.099 19.000 -0.707 0.000 1.029 175 A HN 0.418 nan 8.150 nan 0.000 0.488 176 D N 0.072 120.380 120.400 -0.153 0.000 2.431 176 D HA 0.112 4.753 4.640 0.000 0.000 0.235 176 D C -0.052 176.276 176.300 0.047 0.000 0.980 176 D CA 0.640 54.654 54.000 0.023 0.000 0.912 176 D CB 0.161 40.987 40.800 0.043 0.000 1.056 176 D HN 0.350 nan 8.370 nan 0.000 0.494 177 L N 0.355 121.493 121.223 -0.142 0.000 2.334 177 L HA 0.448 4.788 4.340 0.000 0.000 0.276 177 L C -1.511 175.180 176.870 -0.298 0.000 1.014 177 L CA -0.553 54.234 54.840 -0.088 0.000 0.815 177 L CB 1.435 43.409 42.059 -0.142 0.000 1.268 177 L HN -0.266 nan 8.230 nan 0.000 0.428 178 F N 4.018 123.918 119.950 -0.085 0.000 2.518 178 F HA 0.510 5.038 4.527 0.000 0.000 0.323 178 F C -0.310 175.401 175.800 -0.148 0.000 1.129 178 F CA -0.971 56.983 58.000 -0.076 0.000 0.920 178 F CB 1.988 40.953 39.000 -0.057 0.000 1.160 178 F HN 0.016 nan 8.300 nan 0.000 0.440 179 V N 4.841 124.741 119.914 -0.023 0.000 2.259 179 V HA 0.280 4.400 4.120 0.000 0.000 0.267 179 V C -0.216 175.624 176.094 -0.425 0.000 1.051 179 V CA -0.644 61.510 62.300 -0.244 0.000 0.830 179 V CB 0.608 32.327 31.823 -0.173 0.000 1.080 179 V HN 0.510 nan 8.190 nan 0.000 0.467 180 V N 3.319 123.013 119.914 -0.366 0.000 2.509 180 V HA 0.423 4.544 4.120 0.000 0.000 0.284 180 V C -0.513 175.288 176.094 -0.490 0.000 1.047 180 V CA -0.668 61.449 62.300 -0.306 0.000 0.952 180 V CB 1.424 33.192 31.823 -0.091 0.000 0.988 180 V HN 0.828 nan 8.190 nan 0.000 0.469 181 W N 2.846 124.075 121.300 -0.119 0.000 2.429 181 W HA 0.754 5.415 4.660 0.000 0.000 0.314 181 W C 0.061 176.583 176.519 0.005 0.000 1.062 181 W CA -0.240 57.043 57.345 -0.103 0.000 1.211 181 W CB 1.646 30.967 29.460 -0.231 0.000 1.305 181 W HN 0.718 nan 8.180 nan 0.000 0.476 182 A N 3.003 125.999 122.820 0.293 0.000 2.498 182 A HA 0.804 5.125 4.320 0.000 0.000 0.298 182 A C -1.089 176.610 177.584 0.192 0.000 1.075 182 A CA -1.227 50.929 52.037 0.199 0.000 0.714 182 A CB 1.401 20.448 19.000 0.077 0.000 1.299 182 A HN 0.656 nan 8.150 nan 0.000 0.407 183 R N 1.063 121.628 120.500 0.108 0.000 2.316 183 R HA 0.445 4.785 4.340 0.000 0.000 0.314 183 R C -0.564 175.798 176.300 0.104 0.000 1.069 183 R CA 0.082 56.233 56.100 0.085 0.000 0.959 183 R CB -0.196 30.136 30.300 0.053 0.000 0.987 183 R HN 0.740 nan 8.270 nan 0.000 0.446 184 C N 3.324 122.694 119.300 0.117 0.000 2.403 184 C HA 0.133 4.594 4.460 0.000 0.000 0.361 184 C C 1.569 176.639 174.990 0.134 0.000 1.274 184 C CA -0.523 58.589 59.018 0.157 0.000 2.433 184 C CB 1.034 28.877 27.740 0.171 0.000 2.323 184 C HN 0.879 nan 8.230 nan 0.000 0.614 185 E N 0.699 121.003 120.200 0.173 0.000 2.463 185 E HA -0.153 4.197 4.350 0.000 0.000 0.201 185 E C 0.743 177.402 176.600 0.099 0.000 1.045 185 E CA 0.922 57.406 56.400 0.140 0.000 0.872 185 E CB -0.004 29.809 29.700 0.188 0.000 0.797 185 E HN 0.663 nan 8.360 nan 0.000 0.538 186 D N -1.730 118.722 120.400 0.087 0.000 2.402 186 D HA 0.085 4.725 4.640 0.000 0.000 0.216 186 D C 1.240 177.563 176.300 0.039 0.000 1.128 186 D CA 0.502 54.535 54.000 0.055 0.000 0.833 186 D CB 0.519 41.346 40.800 0.044 0.000 0.971 186 D HN 0.149 nan 8.370 nan 0.000 0.503 187 G N -0.076 108.749 108.800 0.042 0.000 2.268 187 G HA2 -0.310 3.651 3.960 0.000 0.000 0.240 187 G HA3 -0.310 3.651 3.960 0.000 0.000 0.240 187 G C 0.526 175.435 174.900 0.015 0.000 1.010 187 G CA 0.228 45.344 45.100 0.026 0.000 0.618 187 G HN 0.488 nan 8.290 nan 0.000 0.516 188 C N 1.030 120.340 119.300 0.015 0.000 2.500 188 C HA 0.717 5.177 4.460 0.000 0.000 0.367 188 C C 0.864 175.858 174.990 0.006 0.000 1.283 188 C CA -0.015 59.000 59.018 -0.005 0.000 2.456 188 C CB 0.725 28.458 27.740 -0.012 0.000 2.457 188 C HN 0.651 nan 8.230 nan 0.000 0.632 189 I N 1.873 122.432 120.570 -0.019 0.000 2.436 189 I HA 0.601 4.771 4.170 0.000 0.000 0.289 189 I C -0.472 175.637 176.117 -0.013 0.000 1.010 189 I CA -0.346 60.962 61.300 0.013 0.000 1.098 189 I CB 0.752 38.752 38.000 0.000 0.000 1.266 189 I HN 0.740 nan 8.210 nan 0.000 0.434 190 R N 4.637 125.090 120.500 -0.078 0.000 2.902 190 R HA 0.683 5.024 4.340 0.000 0.000 0.258 190 R C -0.217 175.729 176.300 -0.590 0.000 1.071 190 R CA -1.086 54.807 56.100 -0.345 0.000 1.024 190 R CB 1.639 31.555 30.300 -0.640 0.000 1.184 190 R HN 0.775 nan 8.270 nan 0.000 0.492 191 G N 0.671 108.942 108.800 -0.882 0.000 2.367 191 G HA2 0.601 4.561 3.960 0.000 0.000 0.314 191 G HA3 0.601 4.561 3.960 0.000 0.000 0.314 191 G C -1.166 172.959 174.900 -1.291 0.000 1.130 191 G CA -0.379 43.889 45.100 -1.387 0.000 0.864 191 G HN 0.270 nan 8.290 nan 0.000 0.486 192 F N 0.555 120.138 119.950 -0.611 0.000 2.539 192 F HA 0.390 4.917 4.527 0.000 0.000 0.318 192 F C 0.126 175.731 175.800 -0.325 0.000 1.135 192 F CA -0.794 56.980 58.000 -0.377 0.000 0.915 192 F CB 2.261 41.082 39.000 -0.299 0.000 1.176 192 F HN 0.105 nan 8.300 nan 0.000 0.440 193 L N 5.224 126.399 121.223 -0.080 0.000 2.261 193 L HA 0.455 4.795 4.340 0.000 0.000 0.289 193 L C -0.549 176.316 176.870 -0.008 0.000 1.059 193 L CA -0.273 54.503 54.840 -0.108 0.000 0.816 193 L CB 0.430 42.384 42.059 -0.174 0.000 1.191 193 L HN 0.518 nan 8.230 nan 0.000 0.431 194 L N 3.440 124.681 121.223 0.031 0.000 2.334 194 L HA 0.539 4.880 4.340 0.000 0.000 0.272 194 L C -0.094 176.884 176.870 0.181 0.000 1.020 194 L CA -0.627 54.241 54.840 0.047 0.000 0.812 194 L CB 2.089 44.103 42.059 -0.075 0.000 1.264 194 L HN 0.581 nan 8.230 nan 0.000 0.439 195 E N 1.170 121.447 120.200 0.130 0.000 2.256 195 E HA 0.276 4.626 4.350 0.000 0.000 0.267 195 E C -1.115 175.582 176.600 0.161 0.000 0.892 195 E CA -1.002 55.529 56.400 0.220 0.000 0.775 195 E CB 2.765 32.569 29.700 0.174 0.000 1.207 195 E HN 0.318 nan 8.360 nan 0.000 0.420 196 K N 0.666 121.241 120.400 0.292 0.000 2.448 196 K HA 0.124 4.444 4.320 0.000 0.000 0.278 196 K C 0.625 177.277 176.600 0.087 0.000 1.009 196 K CA 1.294 57.704 56.287 0.204 0.000 0.995 196 K CB 0.172 32.827 32.500 0.259 0.000 0.917 196 K HN 0.741 nan 8.250 nan 0.000 0.481 197 G N 3.376 112.192 108.800 0.028 0.000 2.339 197 G HA2 -0.237 3.723 3.960 0.000 0.000 0.209 197 G HA3 -0.237 3.723 3.960 0.000 0.000 0.209 197 G C 0.153 175.046 174.900 -0.011 0.000 1.015 197 G CA -0.100 45.009 45.100 0.016 0.000 0.635 197 G HN 0.580 nan 8.290 nan 0.000 0.499 198 M N 1.410 120.993 119.600 -0.028 0.000 2.248 198 M HA 0.223 4.704 4.480 0.000 0.000 0.343 198 M C 0.913 177.178 176.300 -0.058 0.000 1.243 198 M CA 0.146 55.420 55.300 -0.043 0.000 1.025 198 M CB 0.340 32.900 32.600 -0.066 0.000 1.759 198 M HN 0.346 nan 8.290 nan 0.000 0.452 199 R N 1.680 122.153 120.500 -0.045 0.000 2.537 199 R HA 0.276 4.616 4.340 0.000 0.000 0.280 199 R C 0.934 177.197 176.300 -0.061 0.000 1.058 199 R CA 1.505 57.578 56.100 -0.045 0.000 1.057 199 R CB 0.159 30.439 30.300 -0.033 0.000 0.973 199 R HN 0.883 nan 8.270 nan 0.000 0.438 200 G N 2.717 111.480 108.800 -0.062 0.000 2.176 200 G HA2 -0.262 3.698 3.960 0.000 0.000 0.253 200 G HA3 -0.262 3.698 3.960 0.000 0.000 0.253 200 G C -0.671 174.170 174.900 -0.098 0.000 0.979 200 G CA 0.208 45.266 45.100 -0.070 0.000 0.641 200 G HN 0.557 nan 8.290 nan 0.000 0.530 201 L N 2.407 123.558 121.223 -0.120 0.000 2.294 201 L HA 0.815 5.155 4.340 0.000 0.000 0.283 201 L C 0.138 176.915 176.870 -0.156 0.000 1.015 201 L CA -0.485 54.244 54.840 -0.185 0.000 0.831 201 L CB 1.585 43.478 42.059 -0.277 0.000 1.217 201 L HN 0.577 nan 8.230 nan 0.000 0.420 202 S N 3.486 119.106 115.700 -0.133 0.000 2.542 202 S HA 0.926 5.396 4.470 0.000 0.000 0.293 202 S C -0.333 174.237 174.600 -0.051 0.000 1.089 202 S CA -0.302 57.854 58.200 -0.073 0.000 0.961 202 S CB 1.917 65.089 63.200 -0.046 0.000 1.062 202 S HN 0.995 nan 8.310 nan 0.000 0.483 203 A N 2.685 125.517 122.820 0.020 0.000 3.159 203 A HA 0.594 4.914 4.320 0.000 0.000 0.330 203 A C -2.683 174.942 177.584 0.069 0.000 1.032 203 A CA -1.445 50.647 52.037 0.091 0.000 0.841 203 A CB 0.069 19.229 19.000 0.266 0.000 1.093 203 A HN 0.645 nan 8.150 nan 0.000 0.478 204 P HA 0.134 nan 4.420 nan 0.000 0.271 204 P C -0.254 177.045 177.300 -0.001 0.000 1.216 204 P CA -0.228 62.877 63.100 0.008 0.000 0.776 204 P CB 0.797 32.489 31.700 -0.014 0.000 0.881 205 R N 3.410 123.910 120.500 0.002 0.000 2.438 205 R HA 0.328 4.668 4.340 0.000 0.000 0.287 205 R C -0.189 176.085 176.300 -0.044 0.000 1.077 205 R CA -0.497 55.600 56.100 -0.006 0.000 1.034 205 R CB 0.061 30.369 30.300 0.014 0.000 0.993 205 R HN 0.434 nan 8.270 nan 0.000 0.459 206 I N 4.240 124.766 120.570 -0.074 0.000 2.428 206 I HA 0.111 4.281 4.170 0.000 0.000 0.289 206 I C 0.250 176.332 176.117 -0.060 0.000 1.019 206 I CA -0.386 60.834 61.300 -0.133 0.000 1.351 206 I CB 1.529 39.350 38.000 -0.300 0.000 1.412 206 I HN 0.533 nan 8.210 nan 0.000 0.513 207 Q N 3.291 123.063 119.800 -0.046 0.000 2.297 207 Q HA 0.445 4.785 4.340 0.000 0.000 0.268 207 Q C 0.647 176.665 176.000 0.029 0.000 1.045 207 Q CA -0.295 55.503 55.803 -0.008 0.000 0.861 207 Q CB 1.884 30.620 28.738 -0.004 0.000 1.344 207 Q HN 0.938 nan 8.270 nan 0.000 0.452 208 G N 1.103 109.921 108.800 0.031 0.000 2.132 208 G HA2 -0.266 3.695 3.960 0.000 0.000 0.234 208 G HA3 -0.266 3.695 3.960 0.000 0.000 0.234 208 G C -0.033 174.946 174.900 0.132 0.000 0.989 208 G CA 0.157 45.318 45.100 0.102 0.000 0.676 208 G HN 0.381 nan 8.290 nan 0.000 0.522 209 K N -0.623 119.794 120.400 0.029 0.000 2.368 209 K HA 0.509 4.829 4.320 0.000 0.000 0.282 209 K C -0.127 176.356 176.600 -0.195 0.000 1.035 209 K CA -0.213 56.105 56.287 0.051 0.000 0.973 209 K CB 0.212 32.751 32.500 0.065 0.000 0.957 209 K HN 0.098 nan 8.250 nan 0.000 0.474 210 F N 1.359 121.338 119.950 0.048 0.000 2.881 210 F HA 0.199 4.727 4.527 0.000 0.000 0.343 210 F C -0.117 175.676 175.800 -0.012 0.000 1.233 210 F CA -0.226 57.783 58.000 0.014 0.000 1.262 210 F CB 1.161 40.168 39.000 0.012 0.000 0.980 210 F HN 0.303 nan 8.300 nan 0.000 0.506 211 S N 0.218 115.933 115.700 0.026 0.000 2.570 211 S HA 0.447 4.918 4.470 0.000 0.000 0.286 211 S C -0.341 174.233 174.600 -0.043 0.000 1.143 211 S CA -0.557 57.634 58.200 -0.014 0.000 0.921 211 S CB 0.488 63.672 63.200 -0.026 0.000 1.108 211 S HN 0.335 nan 8.310 nan 0.000 0.456 212 L N 3.821 124.997 121.223 -0.078 0.000 3.717 212 L HA -0.243 4.097 4.340 0.000 0.000 0.414 212 L C 1.468 178.287 176.870 -0.085 0.000 1.228 212 L CA 0.459 55.248 54.840 -0.085 0.000 0.918 212 L CB -1.312 40.731 42.059 -0.026 0.000 1.865 212 L HN 0.743 nan 8.230 nan 0.000 0.922 213 R N 0.568 121.002 120.500 -0.109 0.000 2.152 213 R HA -0.050 4.290 4.340 0.000 0.000 0.232 213 R C 2.063 178.314 176.300 -0.082 0.000 1.117 213 R CA 1.393 57.428 56.100 -0.109 0.000 0.981 213 R CB -0.110 30.094 30.300 -0.158 0.000 0.870 213 R HN 0.580 nan 8.270 nan 0.000 0.451 214 A N 0.271 123.023 122.820 -0.113 0.000 2.259 214 A HA 0.062 4.382 4.320 0.000 0.000 0.208 214 A C 0.582 178.138 177.584 -0.047 0.000 1.201 214 A CA 0.115 52.121 52.037 -0.051 0.000 0.824 214 A CB 0.213 19.090 19.000 -0.205 0.000 0.838 214 A HN 0.113 nan 8.150 nan 0.000 0.485 215 S N 0.097 115.706 115.700 -0.152 0.000 2.478 215 S HA 0.609 5.079 4.470 0.000 0.000 0.312 215 S C -0.068 174.434 174.600 -0.163 0.000 1.094 215 S CA -0.131 57.876 58.200 -0.322 0.000 1.081 215 S CB 0.882 63.939 63.200 -0.237 0.000 1.007 215 S HN 0.742 nan 8.310 nan 0.000 0.475 216 A N 4.453 127.167 122.820 -0.176 0.000 2.451 216 A HA 0.567 4.887 4.320 0.000 0.000 0.266 216 A C 0.262 177.856 177.584 0.017 0.000 1.119 216 A CA -0.057 51.989 52.037 0.016 0.000 0.786 216 A CB -0.173 18.919 19.000 0.152 0.000 1.061 216 A HN 0.766 nan 8.150 nan 0.000 0.503 217 T N 1.404 115.991 114.554 0.054 0.000 2.876 217 T HA 0.806 5.156 4.350 0.000 0.000 0.289 217 T C 0.411 175.141 174.700 0.050 0.000 1.014 217 T CA 0.105 62.261 62.100 0.093 0.000 0.986 217 T CB 2.061 71.043 68.868 0.191 0.000 1.021 217 T HN 1.275 nan 8.240 nan 0.000 0.458 218 G N 1.055 109.883 108.800 0.046 0.000 2.664 218 G HA2 0.672 4.632 3.960 0.000 0.000 0.303 218 G HA3 0.672 4.632 3.960 0.000 0.000 0.303 218 G C -1.545 173.351 174.900 -0.007 0.000 1.243 218 G CA -0.866 44.232 45.100 -0.004 0.000 0.826 218 G HN 0.625 nan 8.290 nan 0.000 0.498 219 M N -0.400 119.200 119.600 0.001 0.000 2.852 219 M HA 0.634 5.115 4.480 0.000 0.000 0.301 219 M C -0.955 175.386 176.300 0.069 0.000 1.229 219 M CA -0.660 54.645 55.300 0.009 0.000 0.832 219 M CB 2.501 35.076 32.600 -0.042 0.000 1.726 219 M HN 0.231 nan 8.290 nan 0.000 0.497 220 I N 2.071 122.671 120.570 0.051 0.000 2.641 220 I HA 0.353 4.523 4.170 0.000 0.000 0.275 220 I C -1.169 174.930 176.117 -0.031 0.000 1.129 220 I CA -0.150 61.168 61.300 0.031 0.000 1.094 220 I CB 0.834 38.886 38.000 0.086 0.000 1.232 220 I HN 0.509 nan 8.210 nan 0.000 0.503 221 I N 5.731 126.268 120.570 -0.054 0.000 2.312 221 I HA 0.306 4.476 4.170 0.000 0.000 0.291 221 I C -0.069 175.994 176.117 -0.090 0.000 1.031 221 I CA -0.031 61.233 61.300 -0.060 0.000 1.293 221 I CB 0.868 38.838 38.000 -0.050 0.000 1.403 221 I HN 0.421 nan 8.210 nan 0.000 0.484 222 M N 5.772 125.320 119.600 -0.086 0.000 2.036 222 M HA 0.272 4.752 4.480 0.000 0.000 0.337 222 M C -1.018 175.234 176.300 -0.080 0.000 1.012 222 M CA -0.530 54.708 55.300 -0.103 0.000 0.962 222 M CB 0.925 33.454 32.600 -0.119 0.000 1.423 222 M HN 0.328 nan 8.290 nan 0.000 0.405 223 D N 3.653 124.008 120.400 -0.074 0.000 2.522 223 D HA 0.248 4.888 4.640 0.000 0.000 0.218 223 D C 0.943 177.209 176.300 -0.057 0.000 1.149 223 D CA 0.315 54.281 54.000 -0.058 0.000 0.981 223 D CB 0.557 41.327 40.800 -0.050 0.000 1.041 223 D HN 0.986 nan 8.370 nan 0.000 0.518 224 G N 1.416 110.182 108.800 -0.056 0.000 2.372 224 G HA2 -0.243 3.717 3.960 0.000 0.000 0.297 224 G HA3 -0.243 3.717 3.960 0.000 0.000 0.297 224 G C 0.312 175.178 174.900 -0.058 0.000 1.005 224 G CA -0.241 44.829 45.100 -0.049 0.000 1.173 224 G HN 0.401 nan 8.290 nan 0.000 0.511 225 V N 0.278 120.144 119.914 -0.080 0.000 2.530 225 V HA 0.363 4.483 4.120 0.000 0.000 0.282 225 V C 0.786 176.834 176.094 -0.077 0.000 1.048 225 V CA -0.266 61.982 62.300 -0.087 0.000 0.997 225 V CB 1.807 33.557 31.823 -0.120 0.000 0.987 225 V HN 0.567 nan 8.190 nan 0.000 0.477 226 E N 3.674 123.842 120.200 -0.053 0.000 2.115 226 E HA 0.451 4.802 4.350 0.000 0.000 0.282 226 E C -1.296 175.296 176.600 -0.013 0.000 0.987 226 E CA -0.483 55.897 56.400 -0.033 0.000 0.797 226 E CB 1.473 31.156 29.700 -0.028 0.000 1.086 226 E HN 0.539 nan 8.360 nan 0.000 0.397 227 V N 6.824 126.746 119.914 0.014 0.000 2.370 227 V HA 0.296 4.416 4.120 0.000 0.000 0.279 227 V C -2.097 174.076 176.094 0.132 0.000 1.029 227 V CA -1.972 60.371 62.300 0.071 0.000 0.870 227 V CB 1.043 32.922 31.823 0.094 0.000 0.984 227 V HN 0.743 nan 8.190 nan 0.000 0.451 228 P HA 0.024 nan 4.420 nan 0.000 0.271 228 P C 1.001 178.401 177.300 0.166 0.000 1.238 228 P CA -0.121 63.043 63.100 0.106 0.000 0.794 228 P CB 0.739 32.487 31.700 0.080 0.000 0.959 229 E N 1.616 121.901 120.200 0.141 0.000 2.110 229 E HA -0.239 4.111 4.350 0.000 0.000 0.193 229 E C 1.178 177.863 176.600 0.141 0.000 0.988 229 E CA 1.087 57.591 56.400 0.172 0.000 0.804 229 E CB -0.118 29.655 29.700 0.123 0.000 0.745 229 E HN 0.457 nan 8.360 nan 0.000 0.458 230 E N 0.308 120.571 120.200 0.106 0.000 2.511 230 E HA -0.112 4.238 4.350 0.000 0.000 0.196 230 E C 0.611 177.272 176.600 0.102 0.000 1.066 230 E CA 0.526 56.978 56.400 0.088 0.000 0.871 230 E CB -0.349 29.392 29.700 0.068 0.000 0.863 230 E HN 0.424 nan 8.360 nan 0.000 0.520 231 N N 0.583 119.355 118.700 0.120 0.000 2.236 231 N HA 0.100 4.840 4.740 0.000 0.000 0.196 231 N C -0.372 175.172 175.510 0.056 0.000 1.114 231 N CA -0.197 52.920 53.050 0.111 0.000 0.859 231 N CB 1.165 39.728 38.487 0.127 0.000 0.982 231 N HN -0.076 nan 8.380 nan 0.000 0.493 232 V N 1.743 121.689 119.914 0.052 0.000 2.686 232 V HA 0.145 4.265 4.120 0.000 0.000 0.295 232 V C 0.109 176.098 176.094 -0.174 0.000 1.057 232 V CA -0.498 61.736 62.300 -0.110 0.000 1.012 232 V CB 1.780 33.590 31.823 -0.022 0.000 1.006 232 V HN 0.097 nan 8.190 nan 0.000 0.477 233 L N 8.140 129.162 121.223 -0.336 0.000 2.268 233 L HA 0.365 4.706 4.340 0.000 0.000 0.289 233 L C -0.890 175.891 176.870 -0.149 0.000 1.064 233 L CA -1.708 53.001 54.840 -0.218 0.000 0.824 233 L CB 0.992 42.882 42.059 -0.282 0.000 1.202 233 L HN 0.442 nan 8.230 nan 0.000 0.433 234 P HA -0.116 nan 4.420 nan 0.000 0.217 234 P C 0.855 178.149 177.300 -0.011 0.000 1.148 234 P CA 0.991 64.068 63.100 -0.037 0.000 0.828 234 P CB 0.350 32.039 31.700 -0.018 0.000 0.783 235 G N -0.718 108.108 108.800 0.044 0.000 3.678 235 G HA2 0.449 4.410 3.960 0.000 0.000 0.287 235 G HA3 0.449 4.410 3.960 0.000 0.000 0.287 235 G C 0.170 175.145 174.900 0.125 0.000 1.280 235 G CA 0.080 45.252 45.100 0.118 0.000 1.118 235 G HN 0.484 nan 8.290 nan 0.000 0.563 236 A N -0.279 122.538 122.820 -0.005 0.000 2.340 236 A HA 0.877 5.198 4.320 0.000 0.000 0.331 236 A C -0.165 177.376 177.584 -0.070 0.000 1.140 236 A CA -0.822 51.178 52.037 -0.061 0.000 0.801 236 A CB 1.882 20.830 19.000 -0.087 0.000 1.234 236 A HN 0.629 nan 8.150 nan 0.000 0.469 237 S N 0.706 116.355 115.700 -0.085 0.000 2.354 237 S HA 0.497 4.967 4.470 0.000 0.000 0.306 237 S C -0.512 174.021 174.600 -0.112 0.000 0.900 237 S CA 0.586 58.739 58.200 -0.077 0.000 0.921 237 S CB -0.273 62.898 63.200 -0.049 0.000 1.209 237 S HN 2.612 nan 8.310 nan 0.000 0.433 238 S N 2.823 118.449 115.700 -0.123 0.000 3.795 238 S HA -0.146 4.325 4.470 0.000 0.000 0.682 238 S C 0.987 175.384 174.600 -0.339 0.000 1.792 238 S CA 0.138 58.231 58.200 -0.178 0.000 1.892 238 S CB -0.654 62.464 63.200 -0.137 0.000 0.343 238 S HN 0.993 nan 8.310 nan 0.000 1.341 239 L N 1.896 122.827 121.223 -0.487 0.000 2.283 239 L HA -0.133 4.207 4.340 0.000 0.000 0.217 239 L C 2.716 178.951 176.870 -1.058 0.000 1.104 239 L CA 2.564 56.798 54.840 -1.009 0.000 0.772 239 L CB -2.693 38.542 42.059 -1.372 0.000 0.899 239 L HN 0.941 nan 8.230 nan 0.000 0.439 240 G N -0.058 108.443 108.800 -0.498 0.000 2.503 240 G HA2 -0.241 3.720 3.960 0.000 0.000 0.221 240 G HA3 -0.241 3.720 3.960 0.000 0.000 0.221 240 G C 1.633 176.371 174.900 -0.269 0.000 1.131 240 G CA 0.983 45.948 45.100 -0.225 0.000 0.756 240 G HN 0.495 nan 8.290 nan 0.000 0.572 241 G N 1.785 110.278 108.800 -0.512 0.000 2.484 241 G HA2 -0.124 3.836 3.960 0.000 0.000 0.215 241 G HA3 -0.124 3.836 3.960 0.000 0.000 0.215 241 G C 0.434 174.848 174.900 -0.811 0.000 1.219 241 G CA 1.374 45.981 45.100 -0.823 0.000 0.791 241 G HN 0.488 nan 8.290 nan 0.000 0.550 242 P HA -0.053 nan 4.420 nan 0.000 0.219 242 P C 1.591 178.865 177.300 -0.043 0.000 1.150 242 P CA 0.882 63.537 63.100 -0.741 0.000 0.814 242 P CB -0.247 30.668 31.700 -1.308 0.000 0.787 243 F N 0.327 120.136 119.950 -0.236 0.000 2.293 243 F HA -0.051 4.476 4.527 0.000 0.000 0.300 243 F C 2.614 178.396 175.800 -0.030 0.000 1.086 243 F CA 0.543 58.479 58.000 -0.106 0.000 1.375 243 F CB -0.654 38.285 39.000 -0.101 0.000 1.045 243 F HN 0.022 nan 8.300 nan 0.000 0.516 244 G N -0.842 108.090 108.800 0.220 0.000 2.421 244 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 244 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 244 G C 1.478 176.466 174.900 0.146 0.000 1.143 244 G CA 0.832 46.085 45.100 0.256 0.000 0.784 244 G HN 0.372 nan 8.290 nan 0.000 0.541 245 C N 0.344 119.752 119.300 0.181 0.000 2.457 245 C HA 0.199 4.660 4.460 0.000 0.000 0.278 245 C C 2.815 177.725 174.990 -0.132 0.000 1.309 245 C CA 0.025 59.030 59.018 -0.022 0.000 1.735 245 C CB -1.029 26.881 27.740 0.284 0.000 1.992 245 C HN 0.393 nan 8.230 nan 0.000 0.493 246 L N 1.429 122.616 121.223 -0.060 0.000 2.017 246 L HA -0.166 4.174 4.340 0.000 0.000 0.208 246 L C 2.296 179.147 176.870 -0.032 0.000 1.073 246 L CA 1.606 56.398 54.840 -0.079 0.000 0.745 246 L CB -0.814 41.243 42.059 -0.003 0.000 0.894 246 L HN 0.337 nan 8.230 nan 0.000 0.432 247 N N 0.096 118.796 118.700 -0.000 0.000 2.137 247 N HA -0.199 4.541 4.740 0.000 0.000 0.190 247 N C 1.618 177.148 175.510 0.032 0.000 1.017 247 N CA 1.156 54.220 53.050 0.024 0.000 0.859 247 N CB -0.319 38.188 38.487 0.033 0.000 1.002 247 N HN 0.295 nan 8.380 nan 0.000 0.428 248 N N 0.087 118.762 118.700 -0.041 0.000 2.171 248 N HA 0.001 4.741 4.740 0.000 0.000 0.184 248 N C 1.546 177.149 175.510 0.156 0.000 1.021 248 N CA 1.076 54.130 53.050 0.006 0.000 0.854 248 N CB -0.129 38.236 38.487 -0.203 0.000 0.994 248 N HN 0.242 nan 8.380 nan 0.000 0.426 249 A N 1.581 124.429 122.820 0.046 0.000 1.898 249 A HA -0.082 4.238 4.320 0.000 0.000 0.216 249 A C 2.228 179.848 177.584 0.060 0.000 1.181 249 A CA 1.021 53.088 52.037 0.050 0.000 0.620 249 A CB -0.411 18.538 19.000 -0.086 0.000 0.819 249 A HN 0.225 nan 8.150 nan 0.000 0.442 250 R N -2.023 118.510 120.500 0.055 0.000 2.127 250 R HA -0.168 4.173 4.340 0.000 0.000 0.238 250 R C 2.094 178.438 176.300 0.073 0.000 1.134 250 R CA 1.695 57.826 56.100 0.051 0.000 0.975 250 R CB -0.533 29.791 30.300 0.040 0.000 0.865 250 R HN 0.758 nan 8.270 nan 0.000 0.447 251 Y N 0.516 120.825 120.300 0.015 0.000 2.200 251 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 251 Y C 2.276 178.198 175.900 0.037 0.000 1.137 251 Y CA 1.659 59.792 58.100 0.055 0.000 1.163 251 Y CB -0.588 37.925 38.460 0.089 0.000 0.988 251 Y HN 0.022 nan 8.280 nan 0.000 0.518 252 G N 0.597 109.351 108.800 -0.076 0.000 2.422 252 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 252 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 252 G C 1.639 176.429 174.900 -0.183 0.000 1.146 252 G CA 1.335 46.193 45.100 -0.403 0.000 0.769 252 G HN 0.518 nan 8.290 nan 0.000 0.547 253 I N 1.343 121.878 120.570 -0.059 0.000 2.202 253 I HA -0.112 4.059 4.170 0.000 0.000 0.242 253 I C 3.300 179.400 176.117 -0.029 0.000 1.091 253 I CA 0.850 62.153 61.300 0.004 0.000 1.368 253 I CB -0.305 37.737 38.000 0.072 0.000 1.058 253 I HN 0.216 nan 8.210 nan 0.000 0.410 254 A N 0.333 123.106 122.820 -0.078 0.000 1.958 254 A HA -0.267 4.053 4.320 0.000 0.000 0.221 254 A C 2.018 179.498 177.584 -0.173 0.000 1.178 254 A CA 1.945 53.897 52.037 -0.142 0.000 0.642 254 A CB -1.156 17.732 19.000 -0.186 0.000 0.816 254 A HN 0.581 nan 8.150 nan 0.000 0.453 255 W N -0.692 120.414 121.300 -0.324 0.000 2.443 255 W HA 0.163 4.823 4.660 0.000 0.000 0.296 255 W C 2.583 178.995 176.519 -0.177 0.000 1.202 255 W CA 0.985 58.156 57.345 -0.290 0.000 1.312 255 W CB -0.671 28.537 29.460 -0.420 0.000 1.120 255 W HN 0.359 nan 8.180 nan 0.000 0.536 256 G N 0.826 109.681 108.800 0.091 0.000 2.514 256 G HA2 -0.341 3.619 3.960 0.000 0.000 0.217 256 G HA3 -0.341 3.619 3.960 0.000 0.000 0.217 256 G C 1.505 176.442 174.900 0.061 0.000 1.198 256 G CA 2.472 47.615 45.100 0.071 0.000 0.780 256 G HN 0.264 nan 8.290 nan 0.000 0.565 257 V N -0.427 119.508 119.914 0.035 0.000 2.546 257 V HA -0.121 3.999 4.120 0.000 0.000 0.254 257 V C 2.677 178.781 176.094 0.017 0.000 1.076 257 V CA 1.785 64.102 62.300 0.028 0.000 1.087 257 V CB -0.601 31.226 31.823 0.007 0.000 0.674 257 V HN 0.350 nan 8.190 nan 0.000 0.470 258 L N 1.091 122.312 121.223 -0.003 0.000 2.141 258 L HA 0.048 4.388 4.340 0.000 0.000 0.209 258 L C 2.838 179.720 176.870 0.020 0.000 1.094 258 L CA 1.481 56.311 54.840 -0.017 0.000 0.763 258 L CB -1.144 40.868 42.059 -0.079 0.000 0.908 258 L HN 0.501 nan 8.230 nan 0.000 0.437 259 G N -0.396 108.433 108.800 0.048 0.000 2.408 259 G HA2 -0.202 3.759 3.960 0.000 0.000 0.217 259 G HA3 -0.202 3.759 3.960 0.000 0.000 0.217 259 G C 1.778 176.702 174.900 0.040 0.000 1.150 259 G CA 0.769 45.900 45.100 0.051 0.000 0.776 259 G HN 0.449 nan 8.290 nan 0.000 0.542 260 A N 0.995 123.841 122.820 0.044 0.000 1.873 260 A HA 0.032 4.352 4.320 0.000 0.000 0.215 260 A C 2.709 180.267 177.584 -0.043 0.000 1.186 260 A CA 2.206 54.240 52.037 -0.004 0.000 0.616 260 A CB -0.702 18.378 19.000 0.133 0.000 0.823 260 A HN 0.303 nan 8.150 nan 0.000 0.442 261 S N -0.045 115.662 115.700 0.012 0.000 2.370 261 S HA -0.212 4.258 4.470 0.000 0.000 0.226 261 S C 1.819 176.450 174.600 0.052 0.000 1.033 261 S CA 1.662 59.878 58.200 0.027 0.000 1.011 261 S CB -0.371 62.845 63.200 0.027 0.000 0.852 261 S HN 0.691 nan 8.310 nan 0.000 0.457 262 E N 0.074 120.305 120.200 0.052 0.000 2.077 262 E HA -0.135 4.216 4.350 0.000 0.000 0.193 262 E C 1.786 178.411 176.600 0.042 0.000 0.989 262 E CA 1.056 57.501 56.400 0.076 0.000 0.800 262 E CB -0.216 29.490 29.700 0.010 0.000 0.746 262 E HN 0.555 nan 8.360 nan 0.000 0.452 263 F N 0.875 120.732 119.950 -0.156 0.000 2.134 263 F HA -0.244 4.283 4.527 0.000 0.000 0.299 263 F C 2.120 177.874 175.800 -0.077 0.000 1.097 263 F CA 1.211 59.102 58.000 -0.182 0.000 1.264 263 F CB -0.294 38.519 39.000 -0.311 0.000 1.001 263 F HN 0.041 nan 8.300 nan 0.000 0.479 264 C N 0.151 119.497 119.300 0.077 0.000 2.440 264 C HA -0.098 4.362 4.460 0.000 0.000 0.278 264 C C 2.652 177.661 174.990 0.032 0.000 1.295 264 C CA 0.756 59.811 59.018 0.061 0.000 1.738 264 C CB -1.464 26.320 27.740 0.073 0.000 1.987 264 C HN 0.666 nan 8.230 nan 0.000 0.492 265 L N 0.651 121.925 121.223 0.086 0.000 1.994 265 L HA -0.160 4.181 4.340 0.000 0.000 0.208 265 L C 2.594 179.535 176.870 0.119 0.000 1.071 265 L CA 2.051 56.961 54.840 0.117 0.000 0.745 265 L CB -1.355 40.830 42.059 0.210 0.000 0.892 265 L HN 0.441 nan 8.230 nan 0.000 0.431 266 H N -0.978 118.108 119.070 0.026 0.000 2.319 266 H HA -0.174 4.382 4.556 0.000 0.000 0.297 266 H C 1.966 177.241 175.328 -0.088 0.000 1.097 266 H CA 1.968 58.038 56.048 0.036 0.000 1.285 266 H CB -0.234 29.517 29.762 -0.019 0.000 1.368 266 H HN 0.451 nan 8.280 nan 0.000 0.495 267 T N 0.626 115.123 114.554 -0.096 0.000 2.708 267 T HA -0.121 4.229 4.350 0.000 0.000 0.266 267 T C 2.330 177.053 174.700 0.038 0.000 1.037 267 T CA 1.116 63.158 62.100 -0.096 0.000 1.146 267 T CB -0.427 68.327 68.868 -0.190 0.000 0.865 267 T HN 0.441 nan 8.240 nan 0.000 0.435 268 A N 1.664 124.496 122.820 0.020 0.000 1.902 268 A HA -0.092 4.229 4.320 0.000 0.000 0.217 268 A C 2.301 179.908 177.584 0.038 0.000 1.181 268 A CA 1.799 53.861 52.037 0.042 0.000 0.623 268 A CB -0.596 18.411 19.000 0.012 0.000 0.818 268 A HN 0.450 nan 8.150 nan 0.000 0.443 269 R N -1.169 119.305 120.500 -0.044 0.000 2.070 269 R HA -0.175 4.165 4.340 0.000 0.000 0.233 269 R C 2.355 178.601 176.300 -0.090 0.000 1.137 269 R CA 1.699 57.712 56.100 -0.144 0.000 0.945 269 R CB -0.334 29.751 30.300 -0.358 0.000 0.845 269 R HN 0.440 nan 8.270 nan 0.000 0.430 270 Q N -0.245 119.534 119.800 -0.035 0.000 2.061 270 Q HA -0.218 4.123 4.340 0.000 0.000 0.204 270 Q C 1.853 177.882 176.000 0.048 0.000 0.984 270 Q CA 1.758 57.565 55.803 0.007 0.000 0.846 270 Q CB -0.531 28.237 28.738 0.050 0.000 0.902 270 Q HN 0.464 nan 8.270 nan 0.000 0.421 271 Y N 0.641 120.935 120.300 -0.009 0.000 2.165 271 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 271 Y C 2.135 178.027 175.900 -0.014 0.000 1.155 271 Y CA 1.802 59.910 58.100 0.013 0.000 1.164 271 Y CB -0.384 38.093 38.460 0.028 0.000 0.978 271 Y HN 0.161 nan 8.280 nan 0.000 0.513 272 A N -0.393 122.487 122.820 0.100 0.000 2.076 272 A HA -0.147 4.173 4.320 0.000 0.000 0.220 272 A C 2.188 179.736 177.584 -0.059 0.000 1.160 272 A CA 1.770 53.818 52.037 0.018 0.000 0.653 272 A CB -0.885 18.117 19.000 0.003 0.000 0.801 272 A HN 0.570 nan 8.150 nan 0.000 0.455 273 L N -1.234 119.943 121.223 -0.076 0.000 2.168 273 L HA -0.033 4.307 4.340 0.000 0.000 0.203 273 L C 1.830 178.640 176.870 -0.100 0.000 1.078 273 L CA 0.965 55.755 54.840 -0.082 0.000 0.780 273 L CB -0.418 41.597 42.059 -0.074 0.000 0.939 273 L HN 0.211 nan 8.230 nan 0.000 0.451 274 D N -0.234 120.086 120.400 -0.133 0.000 2.162 274 D HA -0.086 4.554 4.640 0.000 0.000 0.203 274 D C 1.135 177.303 176.300 -0.221 0.000 0.967 274 D CA 0.598 54.505 54.000 -0.154 0.000 0.840 274 D CB -0.132 40.582 40.800 -0.142 0.000 0.972 274 D HN -0.059 nan 8.370 nan 0.000 0.482 275 R N 1.062 121.341 120.500 -0.368 0.000 2.401 275 R HA 0.109 4.450 4.340 0.000 0.000 0.299 275 R C -0.482 175.710 176.300 -0.180 0.000 1.064 275 R CA 0.226 56.103 56.100 -0.372 0.000 1.000 275 R CB 0.040 29.962 30.300 -0.629 0.000 0.973 275 R HN -0.163 nan 8.270 nan 0.000 0.438 276 M N 4.084 123.605 119.600 -0.131 0.000 2.268 276 M HA 0.383 4.863 4.480 0.000 0.000 0.344 276 M C -0.767 175.486 176.300 -0.079 0.000 1.106 276 M CA -0.568 54.684 55.300 -0.080 0.000 1.010 276 M CB 1.846 34.405 32.600 -0.068 0.000 1.649 276 M HN 0.526 nan 8.290 nan 0.000 0.443 277 Q N 2.179 121.953 119.800 -0.044 0.000 2.340 277 Q HA 0.408 4.748 4.340 0.000 0.000 0.276 277 Q C -0.747 175.267 176.000 0.023 0.000 1.048 277 Q CA -0.406 55.330 55.803 -0.112 0.000 0.832 277 Q CB 2.320 31.013 28.738 -0.075 0.000 1.373 277 Q HN 0.707 nan 8.270 nan 0.000 0.409 278 F N 0.660 120.598 119.950 -0.019 0.000 3.084 278 F HA -0.253 4.274 4.527 0.000 0.000 0.286 278 F C 1.111 176.899 175.800 -0.020 0.000 0.855 278 F CA 1.455 59.445 58.000 -0.018 0.000 1.091 278 F CB -1.813 37.177 39.000 -0.017 0.000 1.177 278 F HN 0.902 nan 8.300 nan 0.000 0.542 279 G N -1.032 107.808 108.800 0.066 0.000 2.147 279 G HA2 0.069 4.029 3.960 0.000 0.000 0.244 279 G HA3 0.069 4.029 3.960 0.000 0.000 0.244 279 G C -0.098 174.823 174.900 0.036 0.000 1.005 279 G CA 0.397 45.521 45.100 0.039 0.000 0.713 279 G HN 1.778 nan 8.290 nan 0.000 0.515 280 V N -4.710 115.229 119.914 0.042 0.000 3.258 280 V HA 0.940 5.060 4.120 0.000 0.000 0.299 280 V C -2.661 173.438 176.094 0.008 0.000 1.376 280 V CA -1.945 60.368 62.300 0.022 0.000 1.063 280 V CB 2.160 34.002 31.823 0.031 0.000 1.103 280 V HN 0.148 nan 8.190 nan 0.000 0.451 281 P HA 0.385 nan 4.420 nan 0.000 0.277 281 P C 1.013 178.307 177.300 -0.010 0.000 1.240 281 P CA -0.343 62.739 63.100 -0.031 0.000 0.798 281 P CB 1.452 33.124 31.700 -0.046 0.000 0.979 282 L N 1.933 123.150 121.223 -0.010 0.000 2.129 282 L HA -0.225 4.115 4.340 0.000 0.000 0.212 282 L C 2.488 179.360 176.870 0.003 0.000 1.087 282 L CA 2.034 56.887 54.840 0.021 0.000 0.757 282 L CB -1.220 40.863 42.059 0.040 0.000 0.896 282 L HN 0.401 nan 8.230 nan 0.000 0.434 283 A N -0.555 122.252 122.820 -0.022 0.000 2.225 283 A HA -0.175 4.146 4.320 0.000 0.000 0.215 283 A C 2.312 179.873 177.584 -0.038 0.000 1.164 283 A CA 1.032 53.045 52.037 -0.041 0.000 0.710 283 A CB -0.439 18.521 19.000 -0.067 0.000 0.780 283 A HN 0.193 nan 8.150 nan 0.000 0.473 284 R N 0.791 121.276 120.500 -0.024 0.000 2.240 284 R HA 0.061 4.401 4.340 0.000 0.000 0.203 284 R C -0.420 175.866 176.300 -0.024 0.000 1.011 284 R CA 0.124 56.210 56.100 -0.024 0.000 1.007 284 R CB -0.450 29.843 30.300 -0.013 0.000 0.911 284 R HN 0.538 nan 8.270 nan 0.000 0.468 285 N N 1.331 120.021 118.700 -0.017 0.000 2.514 285 N HA 0.021 4.761 4.740 0.000 0.000 0.277 285 N C 0.767 176.260 175.510 -0.029 0.000 1.126 285 N CA -0.069 52.967 53.050 -0.023 0.000 0.978 285 N CB 1.131 39.612 38.487 -0.010 0.000 1.106 285 N HN 0.125 nan 8.380 nan 0.000 0.461 286 Q N 0.819 120.597 119.800 -0.035 0.000 2.061 286 Q HA -0.103 4.237 4.340 0.000 0.000 0.204 286 Q C 1.400 177.382 176.000 -0.030 0.000 0.984 286 Q CA 1.094 56.876 55.803 -0.035 0.000 0.846 286 Q CB 0.035 28.751 28.738 -0.037 0.000 0.902 286 Q HN 0.455 nan 8.270 nan 0.000 0.421 287 L N 0.579 121.786 121.223 -0.027 0.000 2.079 287 L HA -0.194 4.146 4.340 0.000 0.000 0.210 287 L C 2.193 179.054 176.870 -0.016 0.000 1.081 287 L CA 1.472 56.299 54.840 -0.021 0.000 0.752 287 L CB -1.001 41.047 42.059 -0.018 0.000 0.896 287 L HN 0.308 nan 8.230 nan 0.000 0.433 288 I N -0.707 119.855 120.570 -0.014 0.000 2.252 288 I HA -0.243 3.927 4.170 0.000 0.000 0.245 288 I C 2.485 178.587 176.117 -0.026 0.000 1.102 288 I CA 0.998 62.291 61.300 -0.011 0.000 1.385 288 I CB -0.850 37.148 38.000 -0.003 0.000 1.064 288 I HN 0.434 nan 8.210 nan 0.000 0.414 289 Q N 0.444 120.223 119.800 -0.034 0.000 2.119 289 Q HA -0.232 4.108 4.340 0.000 0.000 0.201 289 Q C 2.200 178.177 176.000 -0.038 0.000 0.972 289 Q CA 1.243 57.019 55.803 -0.046 0.000 0.847 289 Q CB -0.144 28.564 28.738 -0.050 0.000 0.903 289 Q HN 0.464 nan 8.270 nan 0.000 0.433 290 K N 1.429 121.811 120.400 -0.029 0.000 2.097 290 K HA -0.142 4.178 4.320 0.000 0.000 0.205 290 K C 1.801 178.391 176.600 -0.017 0.000 1.050 290 K CA 1.083 57.356 56.287 -0.023 0.000 0.938 290 K CB 0.174 32.661 32.500 -0.021 0.000 0.718 290 K HN 0.005 nan 8.250 nan 0.000 0.442 291 K N 0.553 120.943 120.400 -0.017 0.000 2.057 291 K HA -0.084 4.237 4.320 0.000 0.000 0.206 291 K C 2.101 178.695 176.600 -0.010 0.000 1.050 291 K CA 1.340 57.621 56.287 -0.011 0.000 0.935 291 K CB -0.101 32.393 32.500 -0.009 0.000 0.715 291 K HN 0.149 nan 8.250 nan 0.000 0.439 292 L N 0.485 121.694 121.223 -0.024 0.000 2.083 292 L HA -0.172 4.169 4.340 0.000 0.000 0.209 292 L C 2.588 179.453 176.870 -0.009 0.000 1.083 292 L CA 1.034 55.854 54.840 -0.034 0.000 0.752 292 L CB -0.631 41.377 42.059 -0.085 0.000 0.899 292 L HN 0.212 nan 8.230 nan 0.000 0.433 293 A N -0.145 122.669 122.820 -0.009 0.000 1.902 293 A HA -0.216 4.105 4.320 0.000 0.000 0.217 293 A C 1.962 179.562 177.584 0.025 0.000 1.181 293 A CA 1.883 53.926 52.037 0.010 0.000 0.623 293 A CB -0.423 18.574 19.000 -0.005 0.000 0.818 293 A HN 0.344 nan 8.150 nan 0.000 0.443 294 D N -0.391 120.018 120.400 0.015 0.000 2.117 294 D HA -0.103 4.537 4.640 0.000 0.000 0.198 294 D C 2.107 178.424 176.300 0.029 0.000 0.982 294 D CA 1.360 55.371 54.000 0.018 0.000 0.828 294 D CB -0.342 40.463 40.800 0.008 0.000 0.967 294 D HN 0.494 nan 8.370 nan 0.000 0.464 295 M N 0.143 119.762 119.600 0.031 0.000 2.065 295 M HA -0.185 4.296 4.480 0.000 0.000 0.259 295 M C 2.258 178.599 176.300 0.067 0.000 1.071 295 M CA 1.115 56.442 55.300 0.044 0.000 1.109 295 M CB -0.422 32.206 32.600 0.047 0.000 1.313 295 M HN 0.021 nan 8.290 nan 0.000 0.408 296 L N 0.277 121.554 121.223 0.090 0.000 2.079 296 L HA -0.170 4.170 4.340 0.000 0.000 0.210 296 L C 2.292 179.226 176.870 0.107 0.000 1.081 296 L CA 2.028 56.946 54.840 0.131 0.000 0.752 296 L CB -1.027 41.139 42.059 0.178 0.000 0.896 296 L HN 0.270 nan 8.230 nan 0.000 0.433 297 T N -0.481 114.122 114.554 0.082 0.000 2.674 297 T HA -0.147 4.204 4.350 0.000 0.000 0.265 297 T C 1.728 176.457 174.700 0.049 0.000 1.039 297 T CA 1.624 63.764 62.100 0.066 0.000 1.150 297 T CB -0.168 68.727 68.868 0.045 0.000 0.864 297 T HN 0.372 nan 8.240 nan 0.000 0.427 298 E N 0.854 121.075 120.200 0.036 0.000 2.072 298 E HA -0.008 4.342 4.350 0.000 0.000 0.191 298 E C 2.340 178.947 176.600 0.012 0.000 0.985 298 E CA 0.675 57.087 56.400 0.019 0.000 0.801 298 E CB -0.481 29.227 29.700 0.013 0.000 0.750 298 E HN 0.507 nan 8.360 nan 0.000 0.452 299 I N 1.161 121.746 120.570 0.025 0.000 2.151 299 I HA -0.309 3.862 4.170 0.000 0.000 0.243 299 I C 2.359 178.477 176.117 0.002 0.000 1.080 299 I CA 1.520 62.826 61.300 0.010 0.000 1.339 299 I CB -0.643 37.383 38.000 0.045 0.000 1.039 299 I HN 0.103 nan 8.210 nan 0.000 0.409 300 T N 1.542 116.126 114.554 0.049 0.000 2.652 300 T HA -0.169 4.181 4.350 0.000 0.000 0.267 300 T C 1.964 176.725 174.700 0.102 0.000 1.039 300 T CA 1.402 63.561 62.100 0.098 0.000 1.153 300 T CB -0.443 68.495 68.868 0.117 0.000 0.863 300 T HN 0.237 nan 8.240 nan 0.000 0.428 301 L N 0.587 121.839 121.223 0.048 0.000 2.043 301 L HA -0.095 4.245 4.340 0.000 0.000 0.212 301 L C 3.003 179.860 176.870 -0.022 0.000 1.075 301 L CA 1.563 56.417 54.840 0.023 0.000 0.752 301 L CB -1.072 40.989 42.059 0.004 0.000 0.891 301 L HN 0.377 nan 8.230 nan 0.000 0.432 302 G N -0.270 108.490 108.800 -0.067 0.000 2.404 302 G HA2 -0.200 3.760 3.960 0.000 0.000 0.215 302 G HA3 -0.200 3.760 3.960 0.000 0.000 0.215 302 G C 1.647 176.381 174.900 -0.278 0.000 1.174 302 G CA 0.430 45.437 45.100 -0.154 0.000 0.780 302 G HN 0.175 nan 8.290 nan 0.000 0.537 303 L N -0.214 120.839 121.223 -0.283 0.000 1.978 303 L HA -0.193 4.147 4.340 0.000 0.000 0.218 303 L C 2.841 179.389 176.870 -0.538 0.000 1.075 303 L CA 1.680 56.229 54.840 -0.485 0.000 0.767 303 L CB -0.484 41.344 42.059 -0.385 0.000 0.890 303 L HN 0.325 nan 8.230 nan 0.000 0.434 304 H N -1.114 117.835 119.070 -0.201 0.000 2.457 304 H HA -0.072 4.484 4.556 0.000 0.000 0.294 304 H C 2.129 177.380 175.328 -0.129 0.000 1.064 304 H CA 1.199 57.169 56.048 -0.129 0.000 1.330 304 H CB 0.067 29.788 29.762 -0.068 0.000 1.395 304 H HN 0.436 nan 8.280 nan 0.000 0.541 305 A N 0.402 123.176 122.820 -0.076 0.000 1.897 305 A HA -0.124 4.196 4.320 0.000 0.000 0.215 305 A C 2.746 180.243 177.584 -0.145 0.000 1.181 305 A CA 1.113 53.102 52.037 -0.080 0.000 0.620 305 A CB -0.951 17.997 19.000 -0.088 0.000 0.821 305 A HN 0.443 nan 8.150 nan 0.000 0.443 306 C N -1.212 117.867 119.300 -0.367 0.000 2.425 306 C HA -0.064 4.397 4.460 0.000 0.000 0.277 306 C C 2.537 177.431 174.990 -0.159 0.000 1.280 306 C CA 1.111 59.802 59.018 -0.546 0.000 1.744 306 C CB -1.420 25.386 27.740 -1.557 0.000 1.989 306 C HN 0.679 nan 8.230 nan 0.000 0.491 307 L N 1.372 122.498 121.223 -0.161 0.000 2.012 307 L HA -0.188 4.152 4.340 0.000 0.000 0.210 307 L C 2.627 179.620 176.870 0.205 0.000 1.073 307 L CA 2.326 57.280 54.840 0.191 0.000 0.748 307 L CB -0.894 41.212 42.059 0.079 0.000 0.891 307 L HN 0.336 nan 8.230 nan 0.000 0.431 308 Q N -0.965 118.903 119.800 0.112 0.000 2.226 308 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 308 Q C 1.936 178.015 176.000 0.133 0.000 0.975 308 Q CA 1.904 57.772 55.803 0.108 0.000 0.866 308 Q CB -0.472 28.308 28.738 0.070 0.000 0.915 308 Q HN 0.515 nan 8.270 nan 0.000 0.440 309 L N -0.621 120.709 121.223 0.179 0.000 2.270 309 L HA 0.255 4.595 4.340 0.000 0.000 0.210 309 L C 1.887 178.935 176.870 0.296 0.000 1.104 309 L CA 1.764 56.738 54.840 0.223 0.000 0.804 309 L CB -0.855 41.365 42.059 0.267 0.000 0.937 309 L HN 0.273 nan 8.230 nan 0.000 0.450 310 G N -0.505 108.565 108.800 0.451 0.000 2.453 310 G HA2 -0.241 3.719 3.960 0.000 0.000 0.215 310 G HA3 -0.241 3.719 3.960 0.000 0.000 0.215 310 G C 1.583 176.579 174.900 0.160 0.000 1.201 310 G CA 0.429 45.764 45.100 0.393 0.000 0.784 310 G HN 0.223 nan 8.290 nan 0.000 0.545 311 R N 0.336 120.931 120.500 0.158 0.000 2.103 311 R HA 0.002 4.342 4.340 0.000 0.000 0.242 311 R C 2.654 178.991 176.300 0.061 0.000 1.142 311 R CA 0.747 56.904 56.100 0.094 0.000 0.960 311 R CB -1.257 29.098 30.300 0.092 0.000 0.858 311 R HN 0.425 nan 8.270 nan 0.000 0.439 312 L N 0.519 121.782 121.223 0.066 0.000 2.093 312 L HA -0.125 4.216 4.340 0.000 0.000 0.208 312 L C 2.641 179.521 176.870 0.017 0.000 1.085 312 L CA 1.236 56.101 54.840 0.042 0.000 0.755 312 L CB -0.372 41.717 42.059 0.050 0.000 0.904 312 L HN 0.176 nan 8.230 nan 0.000 0.435 313 K N 0.108 120.503 120.400 -0.007 0.000 2.032 313 K HA -0.200 4.120 4.320 0.000 0.000 0.209 313 K C 1.631 178.204 176.600 -0.045 0.000 1.048 313 K CA 1.723 57.970 56.287 -0.066 0.000 0.927 313 K CB -0.027 32.347 32.500 -0.210 0.000 0.712 313 K HN 0.309 nan 8.250 nan 0.000 0.441 314 D N 0.364 120.746 120.400 -0.030 0.000 2.264 314 D HA -0.132 4.509 4.640 0.000 0.000 0.208 314 D C 1.510 177.810 176.300 -0.000 0.000 0.966 314 D CA 1.062 55.053 54.000 -0.015 0.000 0.864 314 D CB 0.154 40.952 40.800 -0.004 0.000 0.933 314 D HN 0.395 nan 8.370 nan 0.000 0.499 315 Q N -0.079 119.725 119.800 0.007 0.000 2.408 315 Q HA -0.020 4.320 4.340 0.000 0.000 0.205 315 Q C -0.117 175.889 176.000 0.011 0.000 0.919 315 Q CA -0.003 55.807 55.803 0.012 0.000 0.932 315 Q CB 0.733 29.482 28.738 0.019 0.000 1.058 315 Q HN 0.013 nan 8.270 nan 0.000 0.517 316 D N -0.377 120.028 120.400 0.007 0.000 3.068 316 D HA -0.160 4.480 4.640 0.000 0.000 0.218 316 D C 0.122 176.431 176.300 0.015 0.000 1.145 316 D CA 0.958 54.965 54.000 0.010 0.000 0.896 316 D CB -0.623 40.185 40.800 0.014 0.000 1.105 316 D HN 0.313 nan 8.370 nan 0.000 0.423 317 K N -0.500 119.910 120.400 0.016 0.000 2.353 317 K HA 0.331 4.651 4.320 0.000 0.000 0.195 317 K C 0.846 177.460 176.600 0.023 0.000 1.031 317 K CA 0.406 56.705 56.287 0.021 0.000 1.079 317 K CB 0.800 33.313 32.500 0.022 0.000 0.857 317 K HN 0.185 nan 8.250 nan 0.000 0.535 318 A N 1.648 124.479 122.820 0.019 0.000 2.477 318 A HA 0.503 4.823 4.320 0.000 0.000 0.246 318 A C -0.005 177.595 177.584 0.027 0.000 1.078 318 A CA -0.188 51.862 52.037 0.023 0.000 0.770 318 A CB 0.250 19.254 19.000 0.007 0.000 1.011 318 A HN 0.264 nan 8.150 nan 0.000 0.494 319 A N 3.655 126.495 122.820 0.033 0.000 2.330 319 A HA 0.764 5.084 4.320 0.000 0.000 0.329 319 A C -1.816 175.791 177.584 0.039 0.000 1.135 319 A CA -1.793 50.265 52.037 0.035 0.000 0.817 319 A CB 0.695 19.715 19.000 0.033 0.000 1.269 319 A HN 0.511 nan 8.150 nan 0.000 0.469 320 P HA -0.157 nan 4.420 nan 0.000 0.216 320 P C 0.641 177.965 177.300 0.040 0.000 1.153 320 P CA 1.566 64.690 63.100 0.040 0.000 0.858 320 P CB 0.228 31.950 31.700 0.037 0.000 0.789 321 E N -1.596 118.627 120.200 0.038 0.000 2.338 321 E HA -0.068 4.282 4.350 0.000 0.000 0.197 321 E C 1.913 178.527 176.600 0.024 0.000 1.007 321 E CA 0.871 57.294 56.400 0.038 0.000 0.849 321 E CB -0.733 28.989 29.700 0.037 0.000 0.774 321 E HN 0.296 nan 8.360 nan 0.000 0.506 322 M N -0.341 119.275 119.600 0.027 0.000 2.099 322 M HA -0.138 4.342 4.480 0.000 0.000 0.262 322 M C 2.041 178.349 176.300 0.015 0.000 1.067 322 M CA 1.076 56.391 55.300 0.023 0.000 1.124 322 M CB -0.155 32.468 32.600 0.040 0.000 1.353 322 M HN 0.031 nan 8.290 nan 0.000 0.410 323 V N -0.337 119.596 119.914 0.032 0.000 2.407 323 V HA -0.242 3.879 4.120 0.000 0.000 0.248 323 V C 2.364 178.413 176.094 -0.076 0.000 1.055 323 V CA 1.945 64.260 62.300 0.025 0.000 1.049 323 V CB -0.705 31.158 31.823 0.068 0.000 0.662 323 V HN 0.427 nan 8.190 nan 0.000 0.455 324 S N -0.144 115.517 115.700 -0.065 0.000 2.359 324 S HA -0.192 4.278 4.470 0.000 0.000 0.224 324 S C 1.934 176.394 174.600 -0.234 0.000 1.035 324 S CA 1.858 59.955 58.200 -0.172 0.000 1.018 324 S CB -0.441 62.836 63.200 0.129 0.000 0.876 324 S HN 0.560 nan 8.310 nan 0.000 0.448 325 L N 1.013 122.172 121.223 -0.108 0.000 2.042 325 L HA -0.111 4.229 4.340 0.000 0.000 0.210 325 L C 1.940 178.733 176.870 -0.128 0.000 1.076 325 L CA 1.446 56.226 54.840 -0.099 0.000 0.749 325 L CB -0.177 41.852 42.059 -0.050 0.000 0.893 325 L HN 0.319 nan 8.230 nan 0.000 0.432 326 L N -0.727 120.421 121.223 -0.125 0.000 2.127 326 L HA -0.119 4.221 4.340 0.000 0.000 0.203 326 L C 2.662 179.429 176.870 -0.171 0.000 1.080 326 L CA 0.498 55.257 54.840 -0.135 0.000 0.768 326 L CB -0.639 41.346 42.059 -0.123 0.000 0.924 326 L HN 0.221 nan 8.230 nan 0.000 0.444 327 K N 1.358 121.629 120.400 -0.215 0.000 2.009 327 K HA -0.241 4.080 4.320 0.000 0.000 0.210 327 K C 2.193 178.639 176.600 -0.256 0.000 1.049 327 K CA 1.742 57.886 56.287 -0.237 0.000 0.929 327 K CB -0.210 32.091 32.500 -0.331 0.000 0.714 327 K HN 0.154 nan 8.250 nan 0.000 0.440 328 R N 0.645 120.911 120.500 -0.390 0.000 2.080 328 R HA -0.200 4.141 4.340 0.000 0.000 0.236 328 R C 2.217 178.374 176.300 -0.239 0.000 1.137 328 R CA 2.233 58.099 56.100 -0.391 0.000 0.943 328 R CB -0.461 29.579 30.300 -0.432 0.000 0.846 328 R HN 0.286 nan 8.270 nan 0.000 0.431 329 N N 0.089 118.693 118.700 -0.159 0.000 2.013 329 N HA -0.188 4.552 4.740 0.000 0.000 0.195 329 N C 1.337 176.836 175.510 -0.018 0.000 1.051 329 N CA 2.490 55.508 53.050 -0.053 0.000 0.851 329 N CB -0.299 38.150 38.487 -0.064 0.000 1.044 329 N HN 0.390 nan 8.380 nan 0.000 0.422 330 N N -0.839 117.822 118.700 -0.064 0.000 2.149 330 N HA -0.157 4.583 4.740 0.000 0.000 0.188 330 N C 1.706 177.204 175.510 -0.019 0.000 1.019 330 N CA 1.291 54.306 53.050 -0.057 0.000 0.857 330 N CB -0.244 38.180 38.487 -0.106 0.000 0.997 330 N HN 0.344 nan 8.380 nan 0.000 0.426 331 C N 0.367 119.663 119.300 -0.008 0.000 2.432 331 C HA -0.039 4.421 4.460 0.000 0.000 0.277 331 C C 2.911 177.938 174.990 0.062 0.000 1.249 331 C CA 0.869 59.901 59.018 0.023 0.000 1.725 331 C CB -1.481 26.276 27.740 0.028 0.000 2.028 331 C HN 0.596 nan 8.230 nan 0.000 0.477 332 G N 0.114 109.005 108.800 0.151 0.000 2.404 332 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 332 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 332 G C 1.613 176.529 174.900 0.028 0.000 1.174 332 G CA 0.992 46.148 45.100 0.093 0.000 0.780 332 G HN 0.428 nan 8.290 nan 0.000 0.537 333 K N 0.806 121.232 120.400 0.043 0.000 2.097 333 K HA 0.114 4.435 4.320 0.000 0.000 0.206 333 K C 2.731 179.337 176.600 0.009 0.000 1.049 333 K CA 1.255 57.551 56.287 0.016 0.000 0.933 333 K CB -0.507 32.000 32.500 0.012 0.000 0.717 333 K HN 0.237 nan 8.250 nan 0.000 0.442 334 A N 0.382 123.208 122.820 0.010 0.000 1.929 334 A HA -0.089 4.232 4.320 0.000 0.000 0.216 334 A C 2.144 179.738 177.584 0.016 0.000 1.176 334 A CA 1.053 53.098 52.037 0.013 0.000 0.628 334 A CB -0.561 18.447 19.000 0.013 0.000 0.816 334 A HN 0.295 nan 8.150 nan 0.000 0.444 335 L N -0.362 120.864 121.223 0.005 0.000 2.012 335 L HA -0.224 4.116 4.340 0.000 0.000 0.210 335 L C 1.916 178.783 176.870 -0.004 0.000 1.073 335 L CA 2.085 56.922 54.840 -0.005 0.000 0.748 335 L CB -0.471 41.571 42.059 -0.028 0.000 0.891 335 L HN 0.404 nan 8.230 nan 0.000 0.431 336 D N -0.155 120.238 120.400 -0.011 0.000 2.144 336 D HA -0.170 4.471 4.640 0.000 0.000 0.200 336 D C 2.224 178.525 176.300 0.003 0.000 0.978 336 D CA 1.299 55.293 54.000 -0.011 0.000 0.833 336 D CB -0.011 40.779 40.800 -0.017 0.000 0.961 336 D HN 0.415 nan 8.370 nan 0.000 0.470 337 I N 1.459 122.036 120.570 0.012 0.000 2.179 337 I HA -0.258 3.912 4.170 0.000 0.000 0.242 337 I C 2.584 178.718 176.117 0.030 0.000 1.088 337 I CA 1.043 62.356 61.300 0.021 0.000 1.357 337 I CB -0.188 37.829 38.000 0.028 0.000 1.051 337 I HN -0.087 nan 8.210 nan 0.000 0.409 338 A N 0.796 123.639 122.820 0.039 0.000 1.902 338 A HA -0.209 4.111 4.320 0.000 0.000 0.217 338 A C 2.377 179.987 177.584 0.043 0.000 1.181 338 A CA 1.530 53.604 52.037 0.061 0.000 0.623 338 A CB -0.559 18.494 19.000 0.088 0.000 0.818 338 A HN 0.321 nan 8.150 nan 0.000 0.443 339 R N -0.816 119.697 120.500 0.022 0.000 2.081 339 R HA -0.116 4.224 4.340 0.000 0.000 0.235 339 R C 2.453 178.754 176.300 0.002 0.000 1.131 339 R CA 1.423 57.528 56.100 0.008 0.000 0.960 339 R CB -0.285 30.012 30.300 -0.005 0.000 0.856 339 R HN 0.541 nan 8.270 nan 0.000 0.436 340 Q N 0.215 120.017 119.800 0.003 0.000 2.084 340 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 340 Q C 2.231 178.229 176.000 -0.004 0.000 0.978 340 Q CA 1.719 57.521 55.803 -0.002 0.000 0.844 340 Q CB -0.280 28.459 28.738 0.001 0.000 0.898 340 Q HN 0.355 nan 8.270 nan 0.000 0.426 341 A N 1.331 124.156 122.820 0.007 0.000 1.933 341 A HA -0.195 4.125 4.320 0.000 0.000 0.218 341 A C 2.175 179.744 177.584 -0.026 0.000 1.175 341 A CA 1.331 53.369 52.037 0.001 0.000 0.628 341 A CB -0.409 18.610 19.000 0.032 0.000 0.814 341 A HN 0.096 nan 8.150 nan 0.000 0.444 342 R N 0.427 120.921 120.500 -0.009 0.000 2.070 342 R HA -0.163 4.177 4.340 0.000 0.000 0.233 342 R C 1.888 178.151 176.300 -0.062 0.000 1.137 342 R CA 2.028 58.111 56.100 -0.029 0.000 0.945 342 R CB -0.968 29.329 30.300 -0.005 0.000 0.845 342 R HN 0.674 nan 8.270 nan 0.000 0.430 343 D N 0.018 120.394 120.400 -0.040 0.000 2.144 343 D HA -0.172 4.469 4.640 0.000 0.000 0.199 343 D C 1.837 178.110 176.300 -0.046 0.000 0.984 343 D CA 1.221 55.198 54.000 -0.039 0.000 0.834 343 D CB 0.058 40.844 40.800 -0.022 0.000 0.955 343 D HN 0.259 nan 8.370 nan 0.000 0.465 344 M N -0.001 119.573 119.600 -0.044 0.000 2.446 344 M HA -0.068 4.412 4.480 0.000 0.000 0.263 344 M C 1.707 177.966 176.300 -0.070 0.000 1.066 344 M CA 0.637 55.920 55.300 -0.028 0.000 1.087 344 M CB 0.189 32.785 32.600 -0.007 0.000 1.406 344 M HN 0.051 nan 8.290 nan 0.000 0.459 345 L N -0.520 120.570 121.223 -0.221 0.000 2.628 345 L HA 0.222 4.562 4.340 0.000 0.000 0.229 345 L C 1.376 178.061 176.870 -0.308 0.000 1.137 345 L CA 0.032 54.554 54.840 -0.530 0.000 0.909 345 L CB -1.279 40.313 42.059 -0.779 0.000 1.137 345 L HN 0.496 nan 8.230 nan 0.000 0.470 346 G N 1.192 109.908 108.800 -0.140 0.000 2.614 346 G HA2 -0.396 3.565 3.960 0.000 0.000 0.303 346 G HA3 -0.396 3.565 3.960 0.000 0.000 0.303 346 G C 0.999 175.827 174.900 -0.121 0.000 1.270 346 G CA 0.219 45.267 45.100 -0.087 0.000 0.988 346 G HN 0.350 nan 8.290 nan 0.000 0.551 347 G N -0.060 108.683 108.800 -0.095 0.000 2.476 347 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 347 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 347 G C 1.577 176.383 174.900 -0.158 0.000 1.164 347 G CA 1.674 46.717 45.100 -0.096 0.000 0.768 347 G HN 0.727 nan 8.290 nan 0.000 0.560 348 N N 1.251 119.788 118.700 -0.271 0.000 2.289 348 N HA -0.098 4.642 4.740 0.000 0.000 0.184 348 N C 2.301 177.504 175.510 -0.511 0.000 1.016 348 N CA 1.161 53.897 53.050 -0.524 0.000 0.872 348 N CB -0.688 37.197 38.487 -1.003 0.000 0.973 348 N HN 0.337 nan 8.380 nan 0.000 0.433 349 G N 1.603 110.171 108.800 -0.388 0.000 2.479 349 G HA2 -0.188 3.772 3.960 0.000 0.000 0.220 349 G HA3 -0.188 3.772 3.960 0.000 0.000 0.220 349 G C 1.427 176.271 174.900 -0.092 0.000 1.115 349 G CA 0.573 45.533 45.100 -0.234 0.000 0.757 349 G HN 0.543 nan 8.290 nan 0.000 0.560 350 I N -1.434 119.089 120.570 -0.079 0.000 3.684 350 I HA 0.357 4.527 4.170 0.000 0.000 0.304 350 I C 0.759 176.885 176.117 0.014 0.000 1.278 350 I CA -0.252 61.034 61.300 -0.023 0.000 1.272 350 I CB 0.312 38.297 38.000 -0.025 0.000 1.029 350 I HN 0.020 nan 8.210 nan 0.000 0.458 351 S N 2.259 117.982 115.700 0.039 0.000 2.480 351 S HA 0.139 4.610 4.470 0.000 0.000 0.286 351 S C 1.051 175.709 174.600 0.097 0.000 1.180 351 S CA -0.413 57.845 58.200 0.097 0.000 1.075 351 S CB 0.864 64.178 63.200 0.190 0.000 0.996 351 S HN 0.523 nan 8.310 nan 0.000 0.487 352 D N 3.379 123.798 120.400 0.032 0.000 2.351 352 D HA -0.153 4.487 4.640 0.000 0.000 0.216 352 D C 1.023 177.200 176.300 -0.205 0.000 0.968 352 D CA 0.890 54.868 54.000 -0.037 0.000 0.899 352 D CB -0.180 40.606 40.800 -0.023 0.000 0.907 352 D HN 0.762 nan 8.370 nan 0.000 0.514 353 E N -1.339 118.770 120.200 -0.152 0.000 2.478 353 E HA -0.089 4.261 4.350 0.000 0.000 0.198 353 E C 0.425 176.676 176.600 -0.581 0.000 1.046 353 E CA 0.344 56.536 56.400 -0.347 0.000 0.870 353 E CB -0.020 29.557 29.700 -0.204 0.000 0.818 353 E HN 0.433 nan 8.360 nan 0.000 0.527 354 Y N -1.275 118.878 120.300 -0.245 0.000 2.531 354 Y HA 0.109 4.659 4.550 0.000 0.000 0.249 354 Y C 0.744 176.694 175.900 0.085 0.000 1.168 354 Y CA -0.077 57.984 58.100 -0.066 0.000 1.226 354 Y CB 0.356 38.785 38.460 -0.052 0.000 1.177 354 Y HN 0.107 nan 8.280 nan 0.000 0.527 355 H N -2.998 116.214 119.070 0.237 0.000 5.221 355 H HA -0.300 4.256 4.556 0.000 0.000 0.095 355 H C 1.979 177.484 175.328 0.296 0.000 0.582 355 H CA 1.728 57.911 56.048 0.225 0.000 1.154 355 H CB -1.535 28.389 29.762 0.270 0.000 0.672 355 H HN 0.274 nan 8.280 nan 0.000 0.585 356 V N 1.338 121.514 119.914 0.437 0.000 2.370 356 V HA -0.259 3.861 4.120 0.000 0.000 0.252 356 V C 2.677 178.900 176.094 0.216 0.000 1.068 356 V CA 2.231 64.730 62.300 0.331 0.000 1.061 356 V CB -0.716 31.224 31.823 0.196 0.000 0.656 356 V HN 0.270 nan 8.190 nan 0.000 0.455 357 I N 0.055 120.712 120.570 0.145 0.000 2.226 357 I HA -0.218 3.952 4.170 0.000 0.000 0.245 357 I C 2.618 178.778 176.117 0.072 0.000 1.100 357 I CA 1.847 63.199 61.300 0.086 0.000 1.374 357 I CB -0.446 37.590 38.000 0.059 0.000 1.057 357 I HN 0.205 nan 8.210 nan 0.000 0.413 358 R N -0.818 119.715 120.500 0.056 0.000 2.081 358 R HA -0.233 4.107 4.340 0.000 0.000 0.235 358 R C 2.278 178.515 176.300 -0.105 0.000 1.131 358 R CA 1.986 58.059 56.100 -0.044 0.000 0.960 358 R CB -0.464 29.774 30.300 -0.103 0.000 0.856 358 R HN 0.464 nan 8.270 nan 0.000 0.436 359 H N -0.482 118.587 119.070 -0.001 0.000 2.389 359 H HA 0.054 4.611 4.556 0.000 0.000 0.299 359 H C 1.935 177.261 175.328 -0.004 0.000 1.081 359 H CA 1.597 57.636 56.048 -0.015 0.000 1.345 359 H CB 0.034 29.807 29.762 0.018 0.000 1.393 359 H HN 0.422 nan 8.280 nan 0.000 0.520 360 A N 0.459 123.353 122.820 0.124 0.000 1.898 360 A HA -0.176 4.145 4.320 0.000 0.000 0.216 360 A C 2.236 179.835 177.584 0.024 0.000 1.181 360 A CA 1.564 53.640 52.037 0.065 0.000 0.620 360 A CB -0.492 18.540 19.000 0.053 0.000 0.819 360 A HN 0.306 nan 8.150 nan 0.000 0.442 361 M N -0.486 119.126 119.600 0.020 0.000 2.132 361 M HA -0.149 4.332 4.480 0.000 0.000 0.263 361 M C 1.933 178.216 176.300 -0.028 0.000 1.065 361 M CA 1.719 57.026 55.300 0.011 0.000 1.122 361 M CB -0.571 32.053 32.600 0.041 0.000 1.365 361 M HN 0.530 nan 8.290 nan 0.000 0.411 362 N N 0.532 119.198 118.700 -0.056 0.000 2.084 362 N HA -0.129 4.611 4.740 0.000 0.000 0.190 362 N C 1.577 177.027 175.510 -0.100 0.000 1.030 362 N CA 1.068 54.062 53.050 -0.094 0.000 0.849 362 N CB -0.239 38.166 38.487 -0.138 0.000 1.012 362 N HN 0.273 nan 8.380 nan 0.000 0.423 363 L N 0.753 121.941 121.223 -0.058 0.000 2.456 363 L HA -0.105 4.235 4.340 0.000 0.000 0.224 363 L C 2.218 179.025 176.870 -0.105 0.000 1.148 363 L CA 0.521 55.319 54.840 -0.069 0.000 0.825 363 L CB -0.206 41.847 42.059 -0.010 0.000 0.937 363 L HN 0.191 nan 8.230 nan 0.000 0.450 364 E N 0.848 120.990 120.200 -0.098 0.000 2.051 364 E HA -0.195 4.155 4.350 0.000 0.000 0.192 364 E C 2.235 178.730 176.600 -0.175 0.000 0.991 364 E CA 1.610 57.947 56.400 -0.105 0.000 0.799 364 E CB -0.071 29.585 29.700 -0.073 0.000 0.748 364 E HN 0.369 nan 8.360 nan 0.000 0.449 365 A N -0.106 122.575 122.820 -0.231 0.000 1.898 365 A HA -0.104 4.216 4.320 0.000 0.000 0.216 365 A C 2.472 179.644 177.584 -0.687 0.000 1.181 365 A CA 1.495 53.310 52.037 -0.370 0.000 0.620 365 A CB -0.717 18.096 19.000 -0.311 0.000 0.819 365 A HN 0.187 nan 8.150 nan 0.000 0.442 366 V N 0.994 120.493 119.914 -0.692 0.000 2.392 366 V HA -0.284 3.836 4.120 0.000 0.000 0.249 366 V C 2.251 178.087 176.094 -0.430 0.000 1.059 366 V CA 2.139 63.923 62.300 -0.859 0.000 1.051 366 V CB -1.081 30.544 31.823 -0.331 0.000 0.658 366 V HN 0.727 nan 8.190 nan 0.000 0.455 367 N N -0.719 117.841 118.700 -0.232 0.000 2.459 367 N HA -0.125 4.615 4.740 0.000 0.000 0.181 367 N C 1.629 177.121 175.510 -0.031 0.000 1.046 367 N CA 1.388 54.403 53.050 -0.058 0.000 0.904 367 N CB 0.209 38.683 38.487 -0.021 0.000 0.964 367 N HN 0.504 nan 8.380 nan 0.000 0.444 368 T N -0.451 114.020 114.554 -0.138 0.000 2.953 368 T HA 0.006 4.356 4.350 0.000 0.000 0.247 368 T C 0.572 175.293 174.700 0.035 0.000 1.029 368 T CA 0.255 62.312 62.100 -0.071 0.000 1.144 368 T CB -0.122 68.660 68.868 -0.143 0.000 0.870 368 T HN 0.305 nan 8.240 nan 0.000 0.446 369 Y N 0.920 121.208 120.300 -0.020 0.000 2.299 369 Y HA 0.427 4.977 4.550 0.000 0.000 0.335 369 Y C 0.454 176.379 175.900 0.042 0.000 1.287 369 Y CA -1.233 56.867 58.100 -0.000 0.000 1.424 369 Y CB 0.495 38.950 38.460 -0.008 0.000 1.326 369 Y HN 0.025 nan 8.280 nan 0.000 0.567 370 E N 0.224 120.586 120.200 0.269 0.000 3.070 370 E HA -0.157 4.193 4.350 0.000 0.000 0.285 370 E C 0.162 176.894 176.600 0.220 0.000 0.972 370 E CA 1.297 57.800 56.400 0.172 0.000 0.915 370 E CB -1.855 27.954 29.700 0.183 0.000 1.466 370 E HN 1.489 nan 8.360 nan 0.000 0.432 371 G N 0.256 109.121 108.800 0.109 0.000 3.367 371 G HA2 -0.038 3.922 3.960 0.000 0.000 0.686 371 G HA3 -0.038 3.922 3.960 0.000 0.000 0.686 371 G C 0.186 175.099 174.900 0.020 0.000 1.146 371 G CA 0.125 45.153 45.100 -0.121 0.000 0.913 371 G HN 0.618 nan 8.290 nan 0.000 0.554 372 T N 0.549 115.097 114.554 -0.011 0.000 2.802 372 T HA 0.317 4.667 4.350 0.000 0.000 0.305 372 T C 1.411 176.185 174.700 0.123 0.000 1.053 372 T CA 0.538 62.677 62.100 0.065 0.000 1.058 372 T CB 1.139 70.030 68.868 0.038 0.000 0.988 372 T HN 0.710 nan 8.240 nan 0.000 0.539 373 H N 0.754 119.864 119.070 0.066 0.000 2.319 373 H HA -0.127 4.429 4.556 0.000 0.000 0.297 373 H C 1.464 176.822 175.328 0.049 0.000 1.097 373 H CA 2.517 58.609 56.048 0.074 0.000 1.285 373 H CB -0.052 29.723 29.762 0.022 0.000 1.368 373 H HN 0.695 nan 8.280 nan 0.000 0.495 374 D N 0.287 120.769 120.400 0.135 0.000 2.183 374 D HA -0.106 4.534 4.640 0.000 0.000 0.203 374 D C 2.388 178.669 176.300 -0.032 0.000 0.969 374 D CA 0.214 54.242 54.000 0.047 0.000 0.842 374 D CB 0.097 40.914 40.800 0.027 0.000 0.957 374 D HN 0.333 nan 8.370 nan 0.000 0.484 375 I N 1.171 121.717 120.570 -0.041 0.000 2.226 375 I HA -0.207 3.963 4.170 0.000 0.000 0.245 375 I C 2.087 178.125 176.117 -0.132 0.000 1.100 375 I CA 1.285 62.537 61.300 -0.079 0.000 1.374 375 I CB -1.051 36.884 38.000 -0.109 0.000 1.057 375 I HN 0.149 nan 8.210 nan 0.000 0.413 376 H N 0.331 119.375 119.070 -0.043 0.000 2.524 376 H HA 0.112 4.668 4.556 0.000 0.000 0.282 376 H C 2.127 177.393 175.328 -0.103 0.000 1.016 376 H CA 1.066 57.070 56.048 -0.073 0.000 1.270 376 H CB 0.172 29.860 29.762 -0.124 0.000 1.394 376 H HN 0.280 nan 8.280 nan 0.000 0.568 377 A N 0.906 123.710 122.820 -0.026 0.000 1.897 377 A HA -0.077 4.243 4.320 0.000 0.000 0.215 377 A C 2.261 179.768 177.584 -0.129 0.000 1.181 377 A CA 0.694 52.694 52.037 -0.062 0.000 0.620 377 A CB -0.321 18.653 19.000 -0.044 0.000 0.821 377 A HN 0.141 nan 8.150 nan 0.000 0.443 378 L N -0.043 121.031 121.223 -0.248 0.000 2.141 378 L HA -0.041 4.299 4.340 0.000 0.000 0.209 378 L C 2.325 178.945 176.870 -0.417 0.000 1.094 378 L CA 1.257 55.781 54.840 -0.527 0.000 0.763 378 L CB -1.133 40.283 42.059 -1.071 0.000 0.908 378 L HN 0.382 nan 8.230 nan 0.000 0.437 379 I N -1.170 119.340 120.570 -0.099 0.000 2.252 379 I HA -0.298 3.872 4.170 0.000 0.000 0.245 379 I C 2.358 178.511 176.117 0.061 0.000 1.102 379 I CA 0.954 62.346 61.300 0.155 0.000 1.385 379 I CB -0.178 37.925 38.000 0.172 0.000 1.064 379 I HN 0.175 nan 8.210 nan 0.000 0.414 380 L N 0.279 121.511 121.223 0.015 0.000 2.027 380 L HA -0.100 4.241 4.340 0.000 0.000 0.206 380 L C 2.731 179.592 176.870 -0.015 0.000 1.074 380 L CA 1.592 56.434 54.840 0.005 0.000 0.745 380 L CB -1.276 40.778 42.059 -0.008 0.000 0.898 380 L HN 0.309 nan 8.230 nan 0.000 0.433 381 G N -0.287 108.480 108.800 -0.054 0.000 2.442 381 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 381 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 381 G C 1.795 176.670 174.900 -0.041 0.000 1.141 381 G CA 0.496 45.558 45.100 -0.062 0.000 0.763 381 G HN 0.202 nan 8.290 nan 0.000 0.554 382 R N 0.765 121.247 120.500 -0.031 0.000 2.092 382 R HA 0.083 4.423 4.340 0.000 0.000 0.231 382 R C 2.690 179.017 176.300 0.045 0.000 1.119 382 R CA 1.310 57.430 56.100 0.033 0.000 0.970 382 R CB -0.411 29.976 30.300 0.144 0.000 0.864 382 R HN 0.278 nan 8.270 nan 0.000 0.440 383 A N 0.342 123.187 122.820 0.043 0.000 2.168 383 A HA 0.013 4.334 4.320 0.000 0.000 0.215 383 A C 1.919 179.517 177.584 0.023 0.000 1.152 383 A CA 0.671 52.731 52.037 0.038 0.000 0.716 383 A CB -0.139 18.884 19.000 0.039 0.000 0.794 383 A HN 0.326 nan 8.150 nan 0.000 0.465 384 I N -0.993 119.585 120.570 0.013 0.000 2.810 384 I HA -0.080 4.091 4.170 0.000 0.000 0.262 384 I C 2.532 178.653 176.117 0.007 0.000 1.131 384 I CA 1.529 62.833 61.300 0.007 0.000 1.453 384 I CB -0.081 37.917 38.000 -0.002 0.000 1.161 384 I HN 0.418 nan 8.210 nan 0.000 0.444 385 T N -2.390 112.167 114.554 0.005 0.000 3.051 385 T HA 0.237 4.587 4.350 0.000 0.000 0.255 385 T C 1.674 176.382 174.700 0.014 0.000 1.085 385 T CA 0.636 62.739 62.100 0.005 0.000 1.109 385 T CB 0.534 69.401 68.868 -0.002 0.000 0.921 385 T HN 0.471 nan 8.240 nan 0.000 0.488 386 G N 1.441 110.254 108.800 0.022 0.000 2.179 386 G HA2 -0.207 3.753 3.960 0.000 0.000 0.260 386 G HA3 -0.207 3.753 3.960 0.000 0.000 0.260 386 G C 0.026 174.946 174.900 0.035 0.000 0.977 386 G CA 0.231 45.348 45.100 0.029 0.000 0.641 386 G HN 0.653 nan 8.290 nan 0.000 0.533 387 I N 1.035 121.624 120.570 0.030 0.000 2.412 387 I HA 0.342 4.512 4.170 0.000 0.000 0.296 387 I C 0.466 176.613 176.117 0.049 0.000 0.987 387 I CA -0.897 60.424 61.300 0.034 0.000 1.180 387 I CB 1.723 39.733 38.000 0.018 0.000 1.340 387 I HN 0.074 nan 8.210 nan 0.000 0.455 388 Q N 5.301 125.149 119.800 0.080 0.000 2.261 388 Q HA 0.451 4.792 4.340 0.000 0.000 0.252 388 Q C -0.571 175.484 176.000 0.092 0.000 0.915 388 Q CA -0.190 55.701 55.803 0.146 0.000 0.915 388 Q CB 1.791 30.639 28.738 0.183 0.000 1.204 388 Q HN 0.827 nan 8.270 nan 0.000 0.421 389 A N 4.256 127.100 122.820 0.040 0.000 2.569 389 A HA 0.254 4.574 4.320 0.000 0.000 0.284 389 A C 0.133 177.681 177.584 -0.061 0.000 0.948 389 A CA -0.376 51.641 52.037 -0.035 0.000 1.007 389 A CB -0.029 18.909 19.000 -0.103 0.000 1.232 389 A HN 0.674 nan 8.150 nan 0.000 0.530 390 F N 1.312 121.259 119.950 -0.005 0.000 2.187 390 F HA 0.050 4.577 4.527 0.000 0.000 0.295 390 F C 1.928 177.729 175.800 0.000 0.000 1.091 390 F CA 1.817 59.813 58.000 -0.007 0.000 1.308 390 F CB -0.046 38.948 39.000 -0.011 0.000 1.030 390 F HN 0.319 nan 8.300 nan 0.000 0.487 391 T N -2.205 112.477 114.554 0.213 0.000 2.841 391 T HA 0.854 5.204 4.350 0.000 0.000 0.276 391 T C -0.310 174.437 174.700 0.078 0.000 1.003 391 T CA -0.482 61.689 62.100 0.118 0.000 0.995 391 T CB 1.546 70.471 68.868 0.096 0.000 1.260 391 T HN 0.095 nan 8.240 nan 0.000 0.581 392 A N 0.000 122.854 122.820 0.056 0.000 2.254 392 A HA 0.000 4.320 4.320 0.000 0.000 0.244 392 A CA 0.000 52.061 52.037 0.040 0.000 0.836 392 A CB 0.000 19.019 19.000 0.031 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486