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 1c0n_1_A DATA FIRST_RESID 3 DATA SEQUENCE FSVDAVRADF PVLSREVNGL PLAYLDSAAS AQKPSQVIDA EAEFYRHGYA DATA SEQUENCE AVHAGAHTLS AQATEKMENV RKRASLFINA RSAEELVFVR GTTEGINLVA DATA SEQUENCE NSWGNSNVRA GDNIIISQME HHANIVPWQM LCARVGAELR VIPLNPDGTL DATA SEQUENCE QLETLPTLFD AATRLLAITH VSNVLGTENP LAEMITLAHQ HGAKVLVDGA DATA SEQUENCE QAVMHHPVDV QALDCDFYVF SGHKLYGPTG IGILYVKEAL LQEMPPWEGG DATA SEQUENCE GSMIATVSLS EGTTWTKAPW RFEAGTPNTG GIIGLGAALE YVSALGLNNI DATA SEQUENCE AEYEQNLMHY ALSQLESVPD LTLYGPQARL GVIAFNLGAH HAYDVGSFLD DATA SEQUENCE NYGIAVRTGH HCAMPLMAYY NVPAMCRASL AMYNTHEEVD RLVTGLQRIH DATA SEQUENCE RLLG 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 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.716 175.800 -0.140 0.000 0.967 3 F CA 0.000 57.949 58.000 -0.085 0.000 1.383 3 F CB 0.000 38.956 39.000 -0.073 0.000 1.145 4 S N 5.660 120.932 115.700 -0.712 0.000 2.640 4 S HA 0.519 4.990 4.470 0.002 0.000 0.320 4 S C 0.496 174.696 174.600 -0.667 0.000 1.097 4 S CA -0.229 57.676 58.200 -0.491 0.000 1.092 4 S CB 1.130 64.164 63.200 -0.276 0.000 0.988 4 S HN 0.680 nan 8.310 nan 0.000 0.470 5 V N 3.688 123.314 119.914 -0.481 0.000 2.255 5 V HA -0.148 3.973 4.120 0.002 0.000 0.247 5 V C 2.300 178.316 176.094 -0.130 0.000 1.051 5 V CA 1.976 64.111 62.300 -0.276 0.000 1.018 5 V CB -0.908 30.875 31.823 -0.067 0.000 0.641 5 V HN 0.788 nan 8.190 nan 0.000 0.445 6 D N 0.768 121.112 120.400 -0.093 0.000 2.149 6 D HA -0.232 4.409 4.640 0.002 0.000 0.194 6 D C 2.231 178.500 176.300 -0.052 0.000 1.001 6 D CA 2.103 56.078 54.000 -0.042 0.000 0.849 6 D CB -0.145 40.631 40.800 -0.040 0.000 0.939 6 D HN 0.532 nan 8.370 nan 0.000 0.449 7 A N 0.755 123.506 122.820 -0.116 0.000 1.855 7 A HA -0.115 4.206 4.320 0.002 0.000 0.215 7 A C 2.627 180.176 177.584 -0.057 0.000 1.191 7 A CA 1.233 53.206 52.037 -0.106 0.000 0.613 7 A CB -0.869 18.030 19.000 -0.169 0.000 0.829 7 A HN 0.120 nan 8.150 nan 0.000 0.442 8 V N 0.426 120.282 119.914 -0.096 0.000 2.219 8 V HA -0.338 3.783 4.120 0.002 0.000 0.248 8 V C 2.590 178.872 176.094 0.313 0.000 1.053 8 V CA 2.459 64.821 62.300 0.104 0.000 1.009 8 V CB -0.950 30.905 31.823 0.053 0.000 0.636 8 V HN 0.568 nan 8.190 nan 0.000 0.445 9 R N 0.324 120.978 120.500 0.257 0.000 2.185 9 R HA -0.198 4.143 4.340 0.002 0.000 0.247 9 R C 2.156 178.588 176.300 0.220 0.000 1.159 9 R CA 1.400 57.670 56.100 0.283 0.000 0.988 9 R CB -0.636 29.757 30.300 0.155 0.000 0.871 9 R HN 0.575 nan 8.270 nan 0.000 0.458 10 A N 0.849 123.744 122.820 0.124 0.000 2.168 10 A HA -0.107 4.214 4.320 0.002 0.000 0.215 10 A C 1.138 178.736 177.584 0.024 0.000 1.152 10 A CA 1.108 53.178 52.037 0.057 0.000 0.716 10 A CB 0.042 19.053 19.000 0.019 0.000 0.794 10 A HN 0.128 nan 8.150 nan 0.000 0.465 11 D N -1.410 118.999 120.400 0.015 0.000 2.354 11 D HA 0.132 4.773 4.640 0.002 0.000 0.209 11 D C -0.672 175.375 176.300 -0.421 0.000 1.015 11 D CA 0.406 54.285 54.000 -0.201 0.000 0.867 11 D CB 0.092 40.745 40.800 -0.244 0.000 0.933 11 D HN 0.424 nan 8.370 nan 0.000 0.520 12 F N 1.646 121.562 119.950 -0.058 0.000 2.308 12 F HA 0.261 4.789 4.527 0.002 0.000 0.370 12 F C -1.322 174.411 175.800 -0.112 0.000 1.100 12 F CA -2.127 55.801 58.000 -0.119 0.000 1.108 12 F CB 1.667 40.536 39.000 -0.218 0.000 1.293 12 F HN -0.210 nan 8.300 nan 0.000 0.478 13 P HA -0.155 nan 4.420 nan 0.000 0.218 13 P C 1.530 178.824 177.300 -0.009 0.000 1.149 13 P CA 1.159 64.259 63.100 0.000 0.000 0.817 13 P CB 0.243 31.931 31.700 -0.020 0.000 0.785 14 V N 0.266 120.165 119.914 -0.025 0.000 2.594 14 V HA -0.187 3.934 4.120 0.002 0.000 0.253 14 V C 2.668 178.716 176.094 -0.076 0.000 1.069 14 V CA 1.253 63.512 62.300 -0.069 0.000 1.082 14 V CB -1.367 30.377 31.823 -0.133 0.000 0.680 14 V HN 0.044 nan 8.190 nan 0.000 0.469 15 L N 1.118 122.296 121.223 -0.074 0.000 2.275 15 L HA -0.071 4.270 4.340 0.002 0.000 0.215 15 L C 2.245 179.110 176.870 -0.009 0.000 1.119 15 L CA 1.581 56.381 54.840 -0.066 0.000 0.790 15 L CB -0.560 41.450 42.059 -0.082 0.000 0.919 15 L HN 0.567 nan 8.230 nan 0.000 0.443 16 S N -0.923 114.776 115.700 -0.001 0.000 2.660 16 S HA 0.065 4.536 4.470 0.002 0.000 0.227 16 S C 0.851 175.455 174.600 0.007 0.000 0.948 16 S CA -0.513 57.693 58.200 0.010 0.000 0.948 16 S CB -0.036 63.170 63.200 0.010 0.000 0.779 16 S HN 0.276 nan 8.310 nan 0.000 0.487 17 R N 0.938 121.438 120.500 0.001 0.000 2.546 17 R HA 0.357 4.698 4.340 0.002 0.000 0.266 17 R C -0.826 175.485 176.300 0.018 0.000 1.086 17 R CA -0.270 55.832 56.100 0.003 0.000 1.160 17 R CB 0.588 30.882 30.300 -0.010 0.000 1.138 17 R HN 0.335 nan 8.270 nan 0.000 0.567 18 E N 1.846 122.058 120.200 0.020 0.000 2.437 18 E HA 0.043 4.394 4.350 0.002 0.000 0.238 18 E C 0.580 177.199 176.600 0.031 0.000 0.969 18 E CA -0.274 56.144 56.400 0.030 0.000 0.759 18 E CB 1.720 31.436 29.700 0.026 0.000 1.283 18 E HN 0.490 nan 8.360 nan 0.000 0.416 19 V N 4.056 123.996 119.914 0.042 0.000 2.214 19 V HA -0.207 3.914 4.120 0.002 0.000 0.247 19 V C 0.405 176.520 176.094 0.035 0.000 1.051 19 V CA 2.053 64.379 62.300 0.043 0.000 1.003 19 V CB -0.039 31.822 31.823 0.063 0.000 0.635 19 V HN 0.632 nan 8.190 nan 0.000 0.447 20 N N -0.978 117.749 118.700 0.044 0.000 2.886 20 N HA 0.399 5.140 4.740 0.002 0.000 0.285 20 N C 0.710 176.245 175.510 0.043 0.000 1.706 20 N CA 0.485 53.557 53.050 0.037 0.000 0.904 20 N CB 0.610 39.120 38.487 0.038 0.000 1.224 20 N HN 0.735 nan 8.380 nan 0.000 0.488 21 G N 0.787 109.608 108.800 0.034 0.000 2.238 21 G HA2 -0.305 3.656 3.960 0.002 0.000 0.270 21 G HA3 -0.305 3.656 3.960 0.002 0.000 0.270 21 G C -0.007 174.917 174.900 0.041 0.000 0.977 21 G CA 0.648 45.768 45.100 0.033 0.000 0.639 21 G HN 0.385 nan 8.290 nan 0.000 0.544 22 L N 0.664 121.918 121.223 0.052 0.000 2.342 22 L HA 0.576 4.917 4.340 0.002 0.000 0.271 22 L C -2.207 174.698 176.870 0.059 0.000 1.008 22 L CA -2.602 52.273 54.840 0.059 0.000 0.818 22 L CB 2.040 44.148 42.059 0.082 0.000 1.296 22 L HN -0.232 nan 8.230 nan 0.000 0.427 23 P HA -0.021 nan 4.420 nan 0.000 0.262 23 P C -0.667 176.676 177.300 0.073 0.000 1.182 23 P CA -0.247 62.888 63.100 0.057 0.000 0.761 23 P CB 0.334 32.067 31.700 0.055 0.000 0.795 24 L N 3.488 124.753 121.223 0.069 0.000 2.456 24 L HA 0.405 4.746 4.340 0.002 0.000 0.272 24 L C -0.108 176.830 176.870 0.114 0.000 1.189 24 L CA 0.087 54.981 54.840 0.091 0.000 0.846 24 L CB -0.158 41.946 42.059 0.076 0.000 1.111 24 L HN 0.454 nan 8.230 nan 0.000 0.475 25 A N 5.032 127.940 122.820 0.147 0.000 2.893 25 A HA 0.226 4.547 4.320 0.002 0.000 0.333 25 A C -0.958 176.750 177.584 0.207 0.000 1.152 25 A CA -0.424 51.710 52.037 0.162 0.000 0.782 25 A CB -0.523 18.562 19.000 0.141 0.000 1.108 25 A HN 0.737 nan 8.150 nan 0.000 0.469 26 Y N 2.796 123.148 120.300 0.086 0.000 2.644 26 Y HA 0.212 4.763 4.550 0.002 0.000 0.354 26 Y C 0.221 176.215 175.900 0.156 0.000 1.166 26 Y CA -0.112 58.051 58.100 0.105 0.000 1.591 26 Y CB 0.326 38.831 38.460 0.075 0.000 1.346 26 Y HN 0.501 nan 8.280 nan 0.000 0.497 27 L N 4.898 126.059 121.223 -0.103 0.000 2.912 27 L HA 0.166 4.507 4.340 0.002 0.000 0.240 27 L C -0.059 176.680 176.870 -0.219 0.000 1.262 27 L CA 0.391 55.184 54.840 -0.078 0.000 1.058 27 L CB 0.017 42.093 42.059 0.027 0.000 1.383 27 L HN 0.543 nan 8.230 nan 0.000 0.512 28 D N -2.224 117.818 120.400 -0.596 0.000 2.945 28 D HA 0.156 4.797 4.640 0.002 0.000 0.366 28 D C 1.090 177.132 176.300 -0.429 0.000 1.352 28 D CA 0.239 53.945 54.000 -0.490 0.000 0.810 28 D CB 0.575 41.109 40.800 -0.442 0.000 1.170 28 D HN -0.017 nan 8.370 nan 0.000 0.461 29 S N -0.760 114.828 115.700 -0.186 0.000 2.489 29 S HA 0.018 4.489 4.470 0.002 0.000 0.228 29 S C 2.083 176.707 174.600 0.040 0.000 0.995 29 S CA 0.527 58.780 58.200 0.089 0.000 0.934 29 S CB 0.315 63.608 63.200 0.155 0.000 0.771 29 S HN 0.444 nan 8.310 nan 0.000 0.522 30 A N 1.517 124.342 122.820 0.007 0.000 2.015 30 A HA 0.233 4.554 4.320 0.002 0.000 0.219 30 A C 2.237 179.848 177.584 0.045 0.000 1.163 30 A CA 1.411 53.458 52.037 0.017 0.000 0.646 30 A CB -0.696 18.313 19.000 0.014 0.000 0.806 30 A HN 0.528 nan 8.150 nan 0.000 0.448 31 A N -2.038 120.830 122.820 0.080 0.000 1.935 31 A HA 0.422 4.743 4.320 0.002 0.000 0.214 31 A C 1.055 178.777 177.584 0.231 0.000 1.178 31 A CA 1.260 53.385 52.037 0.146 0.000 0.640 31 A CB -0.077 19.004 19.000 0.135 0.000 0.825 31 A HN 0.853 nan 8.150 nan 0.000 0.447 32 S N -1.947 113.894 115.700 0.235 0.000 2.546 32 S HA 0.507 4.978 4.470 0.002 0.000 0.303 32 S C -0.547 174.249 174.600 0.326 0.000 1.067 32 S CA -0.207 58.190 58.200 0.328 0.000 0.944 32 S CB 0.293 63.732 63.200 0.398 0.000 1.155 32 S HN 1.205 nan 8.310 nan 0.000 0.449 33 A N 4.116 127.046 122.820 0.182 0.000 2.346 33 A HA 0.636 4.957 4.320 0.002 0.000 0.252 33 A C 0.294 178.063 177.584 0.307 0.000 1.089 33 A CA -0.177 52.003 52.037 0.238 0.000 0.797 33 A CB 0.251 19.163 19.000 -0.147 0.000 1.047 33 A HN 0.771 nan 8.150 nan 0.000 0.494 34 Q N -0.008 120.030 119.800 0.397 0.000 2.260 34 Q HA 0.396 4.738 4.340 0.002 0.000 0.238 34 Q C -0.856 175.422 176.000 0.464 0.000 0.948 34 Q CA -0.154 55.771 55.803 0.203 0.000 0.895 34 Q CB 1.165 29.833 28.738 -0.116 0.000 1.218 34 Q HN 0.602 nan 8.270 nan 0.000 0.470 35 K N 1.619 122.234 120.400 0.358 0.000 2.156 35 K HA 0.496 4.817 4.320 0.002 0.000 0.254 35 K C -2.358 174.291 176.600 0.082 0.000 0.950 35 K CA -1.632 54.840 56.287 0.309 0.000 0.849 35 K CB 0.904 33.474 32.500 0.117 0.000 1.100 35 K HN 0.303 nan 8.250 nan 0.000 0.434 36 P HA 0.154 nan 4.420 nan 0.000 0.278 36 P C -0.076 176.931 177.300 -0.488 0.000 1.258 36 P CA -0.460 61.985 63.100 -1.092 0.000 0.811 36 P CB 1.459 32.142 31.700 -1.694 0.000 1.063 37 S N 0.795 116.265 115.700 -0.383 0.000 2.359 37 S HA -0.239 4.232 4.470 0.002 0.000 0.223 37 S C 1.859 176.379 174.600 -0.134 0.000 1.039 37 S CA 1.794 59.883 58.200 -0.186 0.000 1.042 37 S CB -0.866 62.256 63.200 -0.130 0.000 0.915 37 S HN 0.526 nan 8.310 nan 0.000 0.439 38 Q N 0.545 120.272 119.800 -0.122 0.000 2.156 38 Q HA -0.141 4.200 4.340 0.002 0.000 0.211 38 Q C 2.173 178.145 176.000 -0.047 0.000 0.995 38 Q CA 1.694 57.474 55.803 -0.038 0.000 0.877 38 Q CB -0.792 27.984 28.738 0.065 0.000 0.920 38 Q HN 0.381 nan 8.270 nan 0.000 0.416 39 V N 0.104 119.956 119.914 -0.103 0.000 2.255 39 V HA -0.214 3.907 4.120 0.002 0.000 0.243 39 V C 2.033 178.099 176.094 -0.047 0.000 1.038 39 V CA 1.666 63.925 62.300 -0.067 0.000 1.008 39 V CB -0.498 31.278 31.823 -0.078 0.000 0.645 39 V HN 0.365 nan 8.190 nan 0.000 0.449 40 I N 0.456 120.992 120.570 -0.056 0.000 2.185 40 I HA -0.311 3.860 4.170 0.002 0.000 0.246 40 I C 2.162 178.272 176.117 -0.011 0.000 1.088 40 I CA 1.908 63.192 61.300 -0.027 0.000 1.347 40 I CB -0.545 37.434 38.000 -0.035 0.000 1.041 40 I HN 0.399 nan 8.210 nan 0.000 0.415 41 D N 0.843 121.232 120.400 -0.017 0.000 2.183 41 D HA -0.023 4.618 4.640 0.002 0.000 0.205 41 D C 2.308 178.615 176.300 0.011 0.000 0.962 41 D CA 1.269 55.270 54.000 0.001 0.000 0.849 41 D CB -0.135 40.665 40.800 -0.000 0.000 0.978 41 D HN 0.323 nan 8.370 nan 0.000 0.488 42 A N 1.326 124.147 122.820 0.001 0.000 1.948 42 A HA -0.263 4.058 4.320 0.002 0.000 0.220 42 A C 2.110 179.694 177.584 0.000 0.000 1.177 42 A CA 1.893 53.934 52.037 0.006 0.000 0.636 42 A CB -0.542 18.452 19.000 -0.010 0.000 0.815 42 A HN 0.269 nan 8.150 nan 0.000 0.449 43 E N -0.565 119.619 120.200 -0.028 0.000 2.076 43 E HA 0.009 4.360 4.350 0.002 0.000 0.190 43 E C 2.199 178.794 176.600 -0.007 0.000 0.979 43 E CA 0.739 57.095 56.400 -0.074 0.000 0.807 43 E CB -0.226 29.423 29.700 -0.085 0.000 0.761 43 E HN 0.514 nan 8.360 nan 0.000 0.454 44 A N 1.462 124.313 122.820 0.052 0.000 1.940 44 A HA -0.200 4.121 4.320 0.002 0.000 0.219 44 A C 2.008 179.616 177.584 0.041 0.000 1.176 44 A CA 1.484 53.579 52.037 0.096 0.000 0.631 44 A CB -0.434 18.598 19.000 0.053 0.000 0.814 44 A HN 0.214 nan 8.150 nan 0.000 0.446 45 E N -0.928 119.281 120.200 0.016 0.000 2.072 45 E HA -0.147 4.204 4.350 0.002 0.000 0.191 45 E C 1.729 178.323 176.600 -0.011 0.000 0.985 45 E CA 1.030 57.406 56.400 -0.040 0.000 0.801 45 E CB -0.560 29.174 29.700 0.057 0.000 0.750 45 E HN 0.684 nan 8.360 nan 0.000 0.452 46 F N 0.781 120.686 119.950 -0.075 0.000 2.091 46 F HA -0.289 4.239 4.527 0.002 0.000 0.299 46 F C 2.052 177.869 175.800 0.028 0.000 1.103 46 F CA 1.428 59.393 58.000 -0.057 0.000 1.228 46 F CB -0.379 38.524 39.000 -0.162 0.000 0.984 46 F HN -0.005 nan 8.300 nan 0.000 0.477 47 Y N 0.565 120.848 120.300 -0.029 0.000 2.293 47 Y HA -0.034 4.517 4.550 0.002 0.000 0.291 47 Y C 2.580 178.362 175.900 -0.198 0.000 1.137 47 Y CA 1.175 59.180 58.100 -0.157 0.000 1.202 47 Y CB -0.667 37.737 38.460 -0.094 0.000 0.990 47 Y HN 0.053 nan 8.280 nan 0.000 0.537 48 R N -1.231 119.209 120.500 -0.099 0.000 2.100 48 R HA -0.038 4.304 4.340 0.002 0.000 0.220 48 R C 0.682 176.798 176.300 -0.306 0.000 1.091 48 R CA 1.198 57.115 56.100 -0.306 0.000 0.986 48 R CB -0.033 29.914 30.300 -0.589 0.000 0.888 48 R HN 0.410 nan 8.270 nan 0.000 0.444 49 H N -2.362 116.710 119.070 0.002 0.000 3.233 49 H HA 0.300 4.857 4.556 0.002 0.000 0.263 49 H C 0.680 175.985 175.328 -0.039 0.000 1.168 49 H CA 0.324 56.368 56.048 -0.008 0.000 1.159 49 H CB 1.514 31.283 29.762 0.012 0.000 1.593 49 H HN 0.260 nan 8.280 nan 0.000 0.580 50 G N 0.226 108.996 108.800 -0.050 0.000 5.602 50 G HA2 0.036 3.997 3.960 0.002 0.000 0.197 50 G HA3 0.036 3.997 3.960 0.002 0.000 0.197 50 G C -1.115 173.542 174.900 -0.405 0.000 0.705 50 G CA -0.363 44.660 45.100 -0.130 0.000 0.662 50 G HN 0.115 nan 8.290 nan 0.000 0.365 51 Y N 1.920 121.923 120.300 -0.496 0.000 2.304 51 Y HA 0.692 5.243 4.550 0.002 0.000 0.327 51 Y C 0.201 176.011 175.900 -0.150 0.000 1.209 51 Y CA 0.210 57.984 58.100 -0.542 0.000 1.299 51 Y CB 1.432 39.729 38.460 -0.271 0.000 1.249 51 Y HN 0.602 nan 8.280 nan 0.000 0.519 52 A N 2.612 124.781 122.820 -1.084 0.000 2.452 52 A HA 0.658 4.979 4.320 0.002 0.000 0.294 52 A C -1.637 175.618 177.584 -0.549 0.000 1.010 52 A CA -0.614 51.084 52.037 -0.564 0.000 0.613 52 A CB -0.436 18.485 19.000 -0.131 0.000 1.363 52 A HN 1.315 nan 8.150 nan 0.000 0.463 53 A N 0.055 122.763 122.820 -0.187 0.000 2.450 53 A HA 0.508 4.829 4.320 0.002 0.000 0.255 53 A C 0.543 178.097 177.584 -0.051 0.000 1.096 53 A CA 0.419 52.431 52.037 -0.041 0.000 0.778 53 A CB -0.414 18.651 19.000 0.108 0.000 1.031 53 A HN 1.964 nan 8.150 nan 0.000 0.494 54 V N 1.668 121.536 119.914 -0.076 0.000 2.224 54 V HA 0.315 4.436 4.120 0.002 0.000 0.289 54 V C 0.106 176.023 176.094 -0.295 0.000 1.518 54 V CA -0.126 62.085 62.300 -0.149 0.000 1.533 54 V CB -1.316 30.420 31.823 -0.145 0.000 1.460 54 V HN 0.818 nan 8.190 nan 0.000 0.515 55 H N 2.904 121.964 119.070 -0.017 0.000 2.587 55 H HA 0.559 5.116 4.556 0.002 0.000 0.245 55 H C 1.297 176.601 175.328 -0.041 0.000 1.238 55 H CA 0.226 56.267 56.048 -0.011 0.000 0.963 55 H CB 1.115 30.879 29.762 0.004 0.000 1.904 55 H HN 0.756 nan 8.280 nan 0.000 0.584 56 A N 0.731 123.552 122.820 0.002 0.000 2.640 56 A HA -0.164 4.157 4.320 0.002 0.000 0.300 56 A C 1.385 178.945 177.584 -0.039 0.000 1.499 56 A CA 0.754 52.773 52.037 -0.031 0.000 0.759 56 A CB -1.860 17.119 19.000 -0.034 0.000 1.048 56 A HN 0.631 nan 8.150 nan 0.000 0.450 57 G N -1.656 107.097 108.800 -0.079 0.000 2.583 57 G HA2 0.569 4.530 3.960 0.002 0.000 0.275 57 G HA3 0.569 4.530 3.960 0.002 0.000 0.275 57 G C 1.246 176.073 174.900 -0.122 0.000 1.342 57 G CA 0.353 45.390 45.100 -0.105 0.000 1.030 57 G HN 1.677 nan 8.290 nan 0.000 0.520 58 A N -0.716 122.067 122.820 -0.063 0.000 1.844 58 A HA 0.178 4.500 4.320 0.002 0.000 0.212 58 A C 1.261 178.835 177.584 -0.017 0.000 1.221 58 A CA 1.320 53.354 52.037 -0.005 0.000 0.607 58 A CB -1.311 17.730 19.000 0.068 0.000 0.878 58 A HN 0.932 nan 8.150 nan 0.000 0.451 59 H N -1.041 118.030 119.070 0.001 0.000 2.929 59 H HA 0.269 4.826 4.556 0.002 0.000 0.358 59 H C 1.219 176.547 175.328 -0.001 0.000 1.111 59 H CA 0.340 56.388 56.048 -0.000 0.000 1.409 59 H CB -0.071 29.689 29.762 -0.003 0.000 1.373 59 H HN 0.181 nan 8.280 nan 0.000 0.610 60 T N 1.639 116.238 114.554 0.074 0.000 2.665 60 T HA -0.237 4.115 4.350 0.002 0.000 0.268 60 T C 1.924 176.624 174.700 -0.000 0.000 1.035 60 T CA 1.308 63.420 62.100 0.021 0.000 1.151 60 T CB -0.192 68.702 68.868 0.044 0.000 0.862 60 T HN 0.392 nan 8.240 nan 0.000 0.438 61 L N 1.422 122.695 121.223 0.082 0.000 1.990 61 L HA -0.129 4.212 4.340 0.002 0.000 0.213 61 L C 2.950 179.786 176.870 -0.057 0.000 1.072 61 L CA 2.054 56.931 54.840 0.061 0.000 0.755 61 L CB -1.075 41.083 42.059 0.164 0.000 0.889 61 L HN 0.419 nan 8.230 nan 0.000 0.432 62 S N -1.254 114.288 115.700 -0.263 0.000 2.368 62 S HA -0.127 4.345 4.470 0.002 0.000 0.224 62 S C 2.153 176.633 174.600 -0.199 0.000 1.029 62 S CA 1.020 59.032 58.200 -0.313 0.000 0.988 62 S CB -0.299 62.526 63.200 -0.625 0.000 0.838 62 S HN 0.430 nan 8.310 nan 0.000 0.462 63 A N 0.966 123.664 122.820 -0.203 0.000 1.933 63 A HA -0.112 4.209 4.320 0.002 0.000 0.218 63 A C 2.234 179.791 177.584 -0.045 0.000 1.175 63 A CA 1.630 53.604 52.037 -0.104 0.000 0.628 63 A CB -0.739 18.212 19.000 -0.083 0.000 0.814 63 A HN 0.734 nan 8.150 nan 0.000 0.444 64 Q N -0.947 118.837 119.800 -0.027 0.000 2.137 64 Q HA 0.016 4.357 4.340 0.002 0.000 0.198 64 Q C 2.435 178.463 176.000 0.047 0.000 0.960 64 Q CA 0.975 56.788 55.803 0.017 0.000 0.847 64 Q CB -0.300 28.457 28.738 0.032 0.000 0.915 64 Q HN 0.679 nan 8.270 nan 0.000 0.448 65 A N 0.721 123.570 122.820 0.049 0.000 1.902 65 A HA -0.176 4.145 4.320 0.002 0.000 0.217 65 A C 2.244 179.853 177.584 0.042 0.000 1.181 65 A CA 1.860 53.970 52.037 0.120 0.000 0.623 65 A CB -0.894 18.169 19.000 0.105 0.000 0.818 65 A HN 0.295 nan 8.150 nan 0.000 0.443 66 T N -0.420 114.133 114.554 -0.003 0.000 2.720 66 T HA -0.165 4.186 4.350 0.002 0.000 0.268 66 T C 1.858 176.572 174.700 0.023 0.000 1.037 66 T CA 1.446 63.541 62.100 -0.010 0.000 1.144 66 T CB -0.253 68.599 68.868 -0.027 0.000 0.864 66 T HN 0.600 nan 8.240 nan 0.000 0.444 67 E N 0.874 121.090 120.200 0.026 0.000 2.077 67 E HA -0.177 4.174 4.350 0.002 0.000 0.193 67 E C 2.267 178.894 176.600 0.046 0.000 0.989 67 E CA 1.177 57.602 56.400 0.042 0.000 0.800 67 E CB -0.030 29.692 29.700 0.036 0.000 0.746 67 E HN 0.374 nan 8.360 nan 0.000 0.452 68 K N 0.193 120.614 120.400 0.035 0.000 2.009 68 K HA -0.141 4.181 4.320 0.002 0.000 0.210 68 K C 2.279 178.871 176.600 -0.013 0.000 1.049 68 K CA 1.570 57.864 56.287 0.012 0.000 0.929 68 K CB -0.173 32.328 32.500 0.003 0.000 0.714 68 K HN 0.121 nan 8.250 nan 0.000 0.440 69 M N 0.815 120.394 119.600 -0.035 0.000 2.110 69 M HA -0.262 4.219 4.480 0.002 0.000 0.257 69 M C 1.706 178.068 176.300 0.103 0.000 1.071 69 M CA 1.768 57.042 55.300 -0.043 0.000 1.096 69 M CB -0.141 32.427 32.600 -0.053 0.000 1.300 69 M HN 0.105 nan 8.290 nan 0.000 0.411 70 E N 0.268 120.555 120.200 0.144 0.000 2.160 70 E HA -0.165 4.186 4.350 0.002 0.000 0.195 70 E C 1.520 178.219 176.600 0.165 0.000 0.991 70 E CA 1.277 57.801 56.400 0.206 0.000 0.810 70 E CB -0.784 29.034 29.700 0.197 0.000 0.742 70 E HN 0.677 nan 8.360 nan 0.000 0.466 71 N N -0.146 118.623 118.700 0.115 0.000 2.084 71 N HA -0.124 4.617 4.740 0.002 0.000 0.190 71 N C 1.903 177.477 175.510 0.107 0.000 1.030 71 N CA 1.112 54.219 53.050 0.094 0.000 0.849 71 N CB 0.124 38.649 38.487 0.064 0.000 1.012 71 N HN -0.066 nan 8.380 nan 0.000 0.423 72 V N 1.438 121.421 119.914 0.115 0.000 2.332 72 V HA -0.258 3.863 4.120 0.002 0.000 0.248 72 V C 2.337 178.561 176.094 0.217 0.000 1.055 72 V CA 1.557 63.941 62.300 0.140 0.000 1.038 72 V CB -0.563 31.327 31.823 0.112 0.000 0.651 72 V HN 0.331 nan 8.190 nan 0.000 0.450 73 R N 0.069 120.748 120.500 0.299 0.000 2.091 73 R HA -0.209 4.132 4.340 0.002 0.000 0.238 73 R C 2.474 178.809 176.300 0.059 0.000 1.136 73 R CA 1.793 57.975 56.100 0.138 0.000 0.959 73 R CB -0.230 30.118 30.300 0.080 0.000 0.856 73 R HN 0.383 nan 8.270 nan 0.000 0.437 74 K N 0.395 120.849 120.400 0.090 0.000 2.057 74 K HA -0.111 4.210 4.320 0.002 0.000 0.206 74 K C 2.141 178.790 176.600 0.083 0.000 1.050 74 K CA 1.149 57.481 56.287 0.074 0.000 0.935 74 K CB -0.013 32.534 32.500 0.079 0.000 0.715 74 K HN 0.226 nan 8.250 nan 0.000 0.439 75 R N 0.048 120.605 120.500 0.094 0.000 2.096 75 R HA -0.152 4.189 4.340 0.002 0.000 0.240 75 R C 2.365 178.745 176.300 0.132 0.000 1.139 75 R CA 1.503 57.664 56.100 0.102 0.000 0.952 75 R CB -0.492 29.861 30.300 0.088 0.000 0.854 75 R HN 0.198 nan 8.270 nan 0.000 0.436 76 A N 1.209 124.107 122.820 0.130 0.000 1.933 76 A HA -0.204 4.117 4.320 0.002 0.000 0.218 76 A C 2.288 179.985 177.584 0.187 0.000 1.175 76 A CA 1.954 54.096 52.037 0.176 0.000 0.628 76 A CB -0.629 18.467 19.000 0.160 0.000 0.814 76 A HN 0.472 nan 8.150 nan 0.000 0.444 77 S N -0.128 115.636 115.700 0.107 0.000 2.400 77 S HA -0.113 4.358 4.470 0.002 0.000 0.232 77 S C 1.838 176.477 174.600 0.064 0.000 1.025 77 S CA 1.557 59.802 58.200 0.074 0.000 0.993 77 S CB -0.580 62.649 63.200 0.049 0.000 0.808 77 S HN 0.484 nan 8.310 nan 0.000 0.478 78 L N -0.880 120.398 121.223 0.092 0.000 2.209 78 L HA 0.167 4.508 4.340 0.002 0.000 0.207 78 L C 2.368 179.286 176.870 0.079 0.000 1.094 78 L CA 0.983 55.864 54.840 0.068 0.000 0.790 78 L CB -0.584 41.521 42.059 0.077 0.000 0.932 78 L HN 0.312 nan 8.230 nan 0.000 0.447 79 F N 1.798 121.737 119.950 -0.017 0.000 2.095 79 F HA -0.241 4.287 4.527 0.002 0.000 0.298 79 F C 2.120 177.858 175.800 -0.103 0.000 1.104 79 F CA 1.867 59.842 58.000 -0.042 0.000 1.232 79 F CB 0.139 39.130 39.000 -0.015 0.000 0.987 79 F HN 0.008 nan 8.300 nan 0.000 0.475 80 I N -2.550 118.006 120.570 -0.024 0.000 3.928 80 I HA 0.240 4.411 4.170 0.002 0.000 0.335 80 I C 0.509 176.467 176.117 -0.264 0.000 1.325 80 I CA 0.260 61.423 61.300 -0.228 0.000 1.107 80 I CB -0.523 37.360 38.000 -0.196 0.000 1.014 80 I HN 0.224 nan 8.210 nan 0.000 0.400 81 N N 2.010 120.612 118.700 -0.164 0.000 2.754 81 N HA -0.184 4.557 4.740 0.002 0.000 0.248 81 N C 0.144 175.569 175.510 -0.143 0.000 1.093 81 N CA 0.709 53.678 53.050 -0.135 0.000 0.699 81 N CB -1.075 37.324 38.487 -0.147 0.000 1.016 81 N HN 0.737 nan 8.380 nan 0.000 0.552 82 A N 0.172 122.908 122.820 -0.140 0.000 2.466 82 A HA 0.208 4.530 4.320 0.002 0.000 0.238 82 A C 1.548 179.150 177.584 0.029 0.000 1.074 82 A CA 0.386 52.381 52.037 -0.071 0.000 0.774 82 A CB 0.319 19.351 19.000 0.054 0.000 1.015 82 A HN 0.470 nan 8.150 nan 0.000 0.498 83 R N 0.099 120.652 120.500 0.090 0.000 2.073 83 R HA -0.087 4.255 4.340 0.002 0.000 0.234 83 R C 0.658 176.990 176.300 0.053 0.000 1.134 83 R CA 1.832 57.968 56.100 0.060 0.000 0.952 83 R CB -0.139 30.201 30.300 0.066 0.000 0.850 83 R HN 0.905 nan 8.270 nan 0.000 0.433 84 S N -3.023 112.718 115.700 0.068 0.000 2.546 84 S HA 0.456 4.927 4.470 0.002 0.000 0.274 84 S C 0.272 174.895 174.600 0.038 0.000 1.121 84 S CA -0.305 57.923 58.200 0.048 0.000 0.887 84 S CB 2.003 65.226 63.200 0.039 0.000 1.094 84 S HN 0.192 nan 8.310 nan 0.000 0.474 85 A N 1.692 124.526 122.820 0.023 0.000 2.076 85 A HA 0.009 4.330 4.320 0.002 0.000 0.220 85 A C 1.624 179.155 177.584 -0.090 0.000 1.160 85 A CA 1.737 53.768 52.037 -0.011 0.000 0.653 85 A CB -0.927 18.081 19.000 0.013 0.000 0.801 85 A HN 0.924 nan 8.150 nan 0.000 0.455 86 E N -0.410 119.736 120.200 -0.091 0.000 2.516 86 E HA -0.051 4.300 4.350 0.002 0.000 0.199 86 E C 1.308 177.799 176.600 -0.182 0.000 1.069 86 E CA 0.428 56.703 56.400 -0.209 0.000 0.876 86 E CB -0.021 29.601 29.700 -0.130 0.000 0.843 86 E HN 0.727 nan 8.360 nan 0.000 0.530 87 E N -0.508 119.631 120.200 -0.102 0.000 2.474 87 E HA 0.049 4.400 4.350 0.002 0.000 0.195 87 E C -0.653 175.880 176.600 -0.111 0.000 1.039 87 E CA -0.141 56.192 56.400 -0.112 0.000 0.881 87 E CB 0.503 30.188 29.700 -0.024 0.000 0.970 87 E HN 0.034 nan 8.360 nan 0.000 0.486 88 L N 0.957 122.101 121.223 -0.132 0.000 2.296 88 L HA 0.299 4.640 4.340 0.002 0.000 0.286 88 L C -0.587 176.073 176.870 -0.349 0.000 1.023 88 L CA -0.627 54.103 54.840 -0.183 0.000 0.812 88 L CB 1.836 43.778 42.059 -0.194 0.000 1.223 88 L HN -0.245 nan 8.230 nan 0.000 0.421 89 V N 3.891 123.623 119.914 -0.302 0.000 2.513 89 V HA 0.423 4.544 4.120 0.002 0.000 0.299 89 V C -0.277 175.670 176.094 -0.246 0.000 1.035 89 V CA -0.690 61.456 62.300 -0.257 0.000 0.889 89 V CB 1.652 33.393 31.823 -0.136 0.000 0.988 89 V HN 0.397 nan 8.190 nan 0.000 0.440 90 F N 4.542 124.476 119.950 -0.027 0.000 2.438 90 F HA 0.549 5.078 4.527 0.002 0.000 0.356 90 F C 0.399 176.197 175.800 -0.003 0.000 1.099 90 F CA -0.265 57.720 58.000 -0.026 0.000 1.185 90 F CB 1.363 40.359 39.000 -0.007 0.000 1.115 90 F HN 0.409 nan 8.300 nan 0.000 0.526 91 V N 1.681 121.701 119.914 0.175 0.000 3.141 91 V HA 0.517 4.638 4.120 0.002 0.000 0.312 91 V C 0.626 176.773 176.094 0.088 0.000 1.157 91 V CA -1.165 61.201 62.300 0.110 0.000 1.041 91 V CB 1.978 33.831 31.823 0.049 0.000 1.071 91 V HN 0.767 nan 8.190 nan 0.000 0.441 92 R N 0.465 121.010 120.500 0.075 0.000 2.115 92 R HA 0.343 4.684 4.340 0.002 0.000 0.230 92 R C 0.820 177.156 176.300 0.059 0.000 1.111 92 R CA 1.487 57.624 56.100 0.061 0.000 0.976 92 R CB -0.005 30.328 30.300 0.054 0.000 0.870 92 R HN 1.156 nan 8.270 nan 0.000 0.445 93 G N -3.105 105.721 108.800 0.044 0.000 2.340 93 G HA2 0.002 3.963 3.960 0.002 0.000 0.299 93 G HA3 0.002 3.963 3.960 0.002 0.000 0.299 93 G C 0.129 175.023 174.900 -0.011 0.000 1.291 93 G CA -0.260 44.861 45.100 0.036 0.000 0.841 93 G HN -0.049 nan 8.290 nan 0.000 0.500 94 T N 0.562 115.101 114.554 -0.024 0.000 2.720 94 T HA -0.102 4.249 4.350 0.002 0.000 0.268 94 T C 2.574 177.231 174.700 -0.072 0.000 1.037 94 T CA 2.517 64.578 62.100 -0.064 0.000 1.144 94 T CB -0.457 68.364 68.868 -0.079 0.000 0.864 94 T HN 0.504 nan 8.240 nan 0.000 0.444 95 T N 1.484 116.012 114.554 -0.044 0.000 2.708 95 T HA -0.135 4.216 4.350 0.002 0.000 0.266 95 T C 1.960 176.629 174.700 -0.052 0.000 1.037 95 T CA 1.609 63.684 62.100 -0.042 0.000 1.146 95 T CB -0.271 68.602 68.868 0.008 0.000 0.865 95 T HN 0.609 nan 8.240 nan 0.000 0.435 96 E N 0.501 120.701 120.200 0.001 0.000 2.150 96 E HA -0.060 4.291 4.350 0.002 0.000 0.193 96 E C 2.400 178.989 176.600 -0.018 0.000 0.985 96 E CA 1.030 57.463 56.400 0.056 0.000 0.814 96 E CB -0.500 29.273 29.700 0.122 0.000 0.752 96 E HN 0.485 nan 8.360 nan 0.000 0.466 97 G N 1.632 110.396 108.800 -0.060 0.000 2.480 97 G HA2 -0.272 3.689 3.960 0.002 0.000 0.216 97 G HA3 -0.272 3.689 3.960 0.002 0.000 0.216 97 G C 1.595 176.364 174.900 -0.219 0.000 1.200 97 G CA 1.197 46.228 45.100 -0.114 0.000 0.782 97 G HN 0.282 nan 8.290 nan 0.000 0.554 98 I N 0.673 121.096 120.570 -0.245 0.000 2.179 98 I HA -0.188 3.983 4.170 0.002 0.000 0.242 98 I C 2.548 178.330 176.117 -0.558 0.000 1.088 98 I CA 1.314 62.384 61.300 -0.383 0.000 1.357 98 I CB -0.411 37.371 38.000 -0.363 0.000 1.051 98 I HN 0.157 nan 8.210 nan 0.000 0.409 99 N N 0.664 119.079 118.700 -0.474 0.000 2.272 99 N HA -0.184 4.557 4.740 0.002 0.000 0.185 99 N C 1.884 176.822 175.510 -0.953 0.000 1.014 99 N CA 0.776 53.474 53.050 -0.587 0.000 0.870 99 N CB -0.006 38.291 38.487 -0.317 0.000 0.975 99 N HN 0.322 nan 8.380 nan 0.000 0.433 100 L N -0.060 120.699 121.223 -0.774 0.000 2.044 100 L HA -0.094 4.247 4.340 0.002 0.000 0.205 100 L C 1.784 178.296 176.870 -0.598 0.000 1.075 100 L CA 0.895 55.256 54.840 -0.799 0.000 0.747 100 L CB -0.197 41.731 42.059 -0.217 0.000 0.903 100 L HN -0.001 nan 8.230 nan 0.000 0.435 101 V N 0.560 120.183 119.914 -0.485 0.000 2.261 101 V HA -0.313 3.809 4.120 0.002 0.000 0.246 101 V C 2.874 178.798 176.094 -0.284 0.000 1.047 101 V CA 1.772 63.816 62.300 -0.427 0.000 1.015 101 V CB -1.226 30.210 31.823 -0.644 0.000 0.642 101 V HN 0.607 nan 8.190 nan 0.000 0.446 102 A N 0.207 122.759 122.820 -0.447 0.000 1.892 102 A HA -0.293 4.028 4.320 0.002 0.000 0.218 102 A C 2.152 179.612 177.584 -0.208 0.000 1.188 102 A CA 2.386 54.229 52.037 -0.323 0.000 0.631 102 A CB -0.762 17.782 19.000 -0.761 0.000 0.822 102 A HN 0.629 nan 8.150 nan 0.000 0.447 103 N N -0.653 117.777 118.700 -0.449 0.000 2.080 103 N HA -0.123 4.618 4.740 0.002 0.000 0.189 103 N C 2.243 177.621 175.510 -0.220 0.000 1.036 103 N CA 1.627 54.425 53.050 -0.419 0.000 0.846 103 N CB -0.269 37.656 38.487 -0.936 0.000 1.015 103 N HN 0.526 nan 8.380 nan 0.000 0.423 104 S N 0.062 115.631 115.700 -0.217 0.000 2.336 104 S HA -0.140 4.331 4.470 0.002 0.000 0.214 104 S C 1.761 176.413 174.600 0.087 0.000 1.032 104 S CA 1.096 59.300 58.200 0.006 0.000 1.001 104 S CB -0.588 62.667 63.200 0.093 0.000 0.953 104 S HN 0.540 nan 8.310 nan 0.000 0.430 105 W N 1.710 122.963 121.300 -0.079 0.000 2.418 105 W HA 0.161 4.823 4.660 0.003 0.000 0.292 105 W C 2.213 178.737 176.519 0.009 0.000 1.213 105 W CA 1.094 58.435 57.345 -0.006 0.000 1.283 105 W CB -0.742 28.715 29.460 -0.004 0.000 1.119 105 W HN 0.432 nan 8.180 nan 0.000 0.542 106 G N 0.483 109.508 108.800 0.375 0.000 2.414 106 G HA2 -0.324 3.638 3.960 0.002 0.000 0.215 106 G HA3 -0.324 3.638 3.960 0.002 0.000 0.215 106 G C 1.282 176.178 174.900 -0.007 0.000 1.188 106 G CA 1.143 46.408 45.100 0.275 0.000 0.783 106 G HN 0.167 nan 8.290 nan 0.000 0.537 107 N N 0.524 119.217 118.700 -0.012 0.000 2.588 107 N HA -0.067 4.674 4.740 0.002 0.000 0.190 107 N C 1.785 177.249 175.510 -0.077 0.000 1.094 107 N CA 1.192 54.221 53.050 -0.034 0.000 0.921 107 N CB 0.081 38.559 38.487 -0.016 0.000 0.959 107 N HN 0.442 nan 8.380 nan 0.000 0.448 108 S N -2.850 112.755 115.700 -0.160 0.000 2.900 108 S HA 0.325 4.796 4.470 0.002 0.000 0.253 108 S C 0.640 175.048 174.600 -0.320 0.000 1.029 108 S CA -0.639 57.450 58.200 -0.185 0.000 1.096 108 S CB 0.282 63.404 63.200 -0.130 0.000 1.067 108 S HN 0.102 nan 8.310 nan 0.000 0.610 109 N N 0.270 118.689 118.700 -0.468 0.000 2.149 109 N HA 0.187 4.929 4.740 0.002 0.000 0.229 109 N C -0.853 174.448 175.510 -0.348 0.000 1.284 109 N CA 0.282 52.978 53.050 -0.590 0.000 0.864 109 N CB 1.734 39.375 38.487 -1.410 0.000 1.169 109 N HN 0.173 nan 8.380 nan 0.000 0.478 110 V N 5.164 124.934 119.914 -0.240 0.000 2.259 110 V HA 0.277 4.398 4.120 0.002 0.000 0.267 110 V C 0.230 176.294 176.094 -0.051 0.000 1.051 110 V CA -0.559 61.692 62.300 -0.081 0.000 0.830 110 V CB 0.386 32.217 31.823 0.013 0.000 1.080 110 V HN 0.135 nan 8.190 nan 0.000 0.467 111 R N 3.270 123.741 120.500 -0.048 0.000 2.543 111 R HA 0.765 5.106 4.340 0.002 0.000 0.268 111 R C 0.338 176.629 176.300 -0.014 0.000 1.067 111 R CA -0.458 55.624 56.100 -0.030 0.000 1.142 111 R CB 0.717 30.999 30.300 -0.030 0.000 1.110 111 R HN 0.514 nan 8.270 nan 0.000 0.549 112 A N 0.481 123.296 122.820 -0.008 0.000 2.587 112 A HA 0.328 4.649 4.320 0.002 0.000 0.235 112 A C 1.373 178.955 177.584 -0.004 0.000 1.044 112 A CA 1.004 53.039 52.037 -0.003 0.000 0.754 112 A CB -0.660 18.340 19.000 -0.001 0.000 0.968 112 A HN 1.051 nan 8.150 nan 0.000 0.509 113 G N 2.088 110.886 108.800 -0.003 0.000 2.397 113 G HA2 -0.195 3.766 3.960 0.002 0.000 0.211 113 G HA3 -0.195 3.766 3.960 0.002 0.000 0.211 113 G C 0.025 174.922 174.900 -0.005 0.000 1.077 113 G CA 0.270 45.368 45.100 -0.003 0.000 0.649 113 G HN 0.870 nan 8.290 nan 0.000 0.511 114 D N 1.605 122.003 120.400 -0.004 0.000 2.363 114 D HA 0.463 5.104 4.640 0.002 0.000 0.240 114 D C 0.595 176.884 176.300 -0.017 0.000 1.236 114 D CA 0.717 54.714 54.000 -0.005 0.000 0.927 114 D CB 0.384 41.186 40.800 0.002 0.000 1.150 114 D HN 0.802 nan 8.370 nan 0.000 0.458 115 N N -0.990 117.691 118.700 -0.033 0.000 2.292 115 N HA 0.630 5.371 4.740 0.002 0.000 0.303 115 N C -1.153 174.295 175.510 -0.103 0.000 1.140 115 N CA -0.744 52.266 53.050 -0.067 0.000 0.788 115 N CB 1.743 40.178 38.487 -0.087 0.000 1.361 115 N HN 0.308 nan 8.380 nan 0.000 0.489 116 I N 0.820 121.305 120.570 -0.142 0.000 2.569 116 I HA 0.437 4.608 4.170 0.002 0.000 0.296 116 I C -0.741 175.208 176.117 -0.280 0.000 1.028 116 I CA -0.971 60.193 61.300 -0.226 0.000 1.082 116 I CB 1.716 39.562 38.000 -0.257 0.000 1.264 116 I HN 0.459 nan 8.210 nan 0.000 0.429 117 I N 6.869 127.224 120.570 -0.358 0.000 2.404 117 I HA 0.508 4.679 4.170 0.002 0.000 0.293 117 I C -0.551 175.376 176.117 -0.316 0.000 0.992 117 I CA -0.563 60.522 61.300 -0.359 0.000 1.149 117 I CB 1.585 39.271 38.000 -0.522 0.000 1.315 117 I HN 0.418 nan 8.210 nan 0.000 0.446 118 I N 2.150 122.583 120.570 -0.228 0.000 2.969 118 I HA 0.656 4.827 4.170 0.002 0.000 0.307 118 I C -0.014 176.042 176.117 -0.101 0.000 1.149 118 I CA -0.592 60.615 61.300 -0.156 0.000 1.008 118 I CB 2.202 40.141 38.000 -0.102 0.000 1.232 118 I HN 0.541 nan 8.210 nan 0.000 0.435 119 S N 1.849 117.512 115.700 -0.060 0.000 2.686 119 S HA 0.295 4.766 4.470 0.002 0.000 0.270 119 S C 0.464 175.037 174.600 -0.046 0.000 1.194 119 S CA -0.262 57.905 58.200 -0.055 0.000 0.990 119 S CB 1.490 64.667 63.200 -0.038 0.000 1.029 119 S HN 0.883 nan 8.310 nan 0.000 0.560 120 Q N -0.486 119.272 119.800 -0.070 0.000 2.384 120 Q HA 0.182 4.523 4.340 0.002 0.000 0.207 120 Q C 1.453 177.418 176.000 -0.058 0.000 0.904 120 Q CA 0.366 56.124 55.803 -0.075 0.000 0.933 120 Q CB -0.090 28.562 28.738 -0.144 0.000 1.077 120 Q HN 0.921 nan 8.270 nan 0.000 0.522 121 M N -1.012 118.561 119.600 -0.046 0.000 2.431 121 M HA 0.311 4.792 4.480 0.002 0.000 0.237 121 M C -0.330 175.983 176.300 0.022 0.000 1.130 121 M CA -0.096 55.197 55.300 -0.012 0.000 1.002 121 M CB 0.503 33.098 32.600 -0.008 0.000 1.524 121 M HN -0.271 nan 8.290 nan 0.000 0.482 122 E N 1.828 122.047 120.200 0.033 0.000 2.404 122 E HA 0.031 4.382 4.350 0.002 0.000 0.261 122 E C -0.533 176.120 176.600 0.087 0.000 1.074 122 E CA 0.124 56.570 56.400 0.076 0.000 0.917 122 E CB 0.453 30.208 29.700 0.092 0.000 0.965 122 E HN 0.310 nan 8.360 nan 0.000 0.433 123 H N 1.391 120.471 119.070 0.016 0.000 2.615 123 H HA 0.058 4.615 4.556 0.002 0.000 0.363 123 H C 0.894 176.253 175.328 0.052 0.000 1.148 123 H CA 0.320 56.355 56.048 -0.022 0.000 1.401 123 H CB 0.525 30.282 29.762 -0.007 0.000 1.461 123 H HN 0.598 nan 8.280 nan 0.000 0.588 124 H N 2.344 121.265 119.070 -0.249 0.000 2.492 124 H HA -0.144 4.413 4.556 0.002 0.000 0.296 124 H C 1.750 177.123 175.328 0.074 0.000 1.095 124 H CA 0.868 56.859 56.048 -0.096 0.000 1.281 124 H CB 0.411 30.052 29.762 -0.201 0.000 1.374 124 H HN 0.668 nan 8.280 nan 0.000 0.545 125 A N 0.595 123.679 122.820 0.440 0.000 2.168 125 A HA -0.107 4.214 4.320 0.002 0.000 0.215 125 A C 1.604 179.220 177.584 0.054 0.000 1.152 125 A CA 1.032 53.192 52.037 0.205 0.000 0.716 125 A CB 0.074 19.170 19.000 0.159 0.000 0.794 125 A HN 0.260 nan 8.150 nan 0.000 0.465 126 N N -1.023 117.763 118.700 0.144 0.000 2.401 126 N HA 0.415 5.156 4.740 0.002 0.000 0.264 126 N C 0.340 176.041 175.510 0.318 0.000 1.238 126 N CA 0.114 53.274 53.050 0.184 0.000 0.889 126 N CB 0.146 38.767 38.487 0.224 0.000 1.196 126 N HN 0.438 nan 8.380 nan 0.000 0.511 127 I N -2.102 118.580 120.570 0.187 0.000 3.620 127 I HA 0.038 4.209 4.170 0.002 0.000 0.255 127 I C 1.551 177.727 176.117 0.099 0.000 1.124 127 I CA 0.096 61.516 61.300 0.201 0.000 1.526 127 I CB -0.094 37.987 38.000 0.135 0.000 1.681 127 I HN -0.192 nan 8.210 nan 0.000 0.420 128 V N 3.104 123.020 119.914 0.004 0.000 2.231 128 V HA -0.197 3.924 4.120 0.002 0.000 0.250 128 V C -0.622 175.414 176.094 -0.098 0.000 1.058 128 V CA 2.404 64.675 62.300 -0.049 0.000 1.022 128 V CB -2.436 29.345 31.823 -0.070 0.000 0.640 128 V HN 0.325 nan 8.190 nan 0.000 0.445 129 P HA -0.201 nan 4.420 nan 0.000 0.217 129 P C 1.391 178.481 177.300 -0.351 0.000 1.148 129 P CA 2.006 64.868 63.100 -0.397 0.000 0.828 129 P CB -0.200 31.096 31.700 -0.673 0.000 0.783 130 W N 0.091 121.358 121.300 -0.055 0.000 2.476 130 W HA 0.059 4.720 4.660 0.001 0.000 0.281 130 W C 2.770 179.266 176.519 -0.039 0.000 1.230 130 W CA -0.095 57.220 57.345 -0.050 0.000 1.287 130 W CB -0.761 28.670 29.460 -0.049 0.000 1.108 130 W HN 0.004 nan 8.180 nan 0.000 0.567 131 Q N 0.212 120.112 119.800 0.166 0.000 2.119 131 Q HA -0.182 4.159 4.340 0.002 0.000 0.201 131 Q C 2.173 178.203 176.000 0.050 0.000 0.972 131 Q CA 1.561 57.415 55.803 0.085 0.000 0.847 131 Q CB -0.332 28.429 28.738 0.038 0.000 0.903 131 Q HN 0.394 nan 8.270 nan 0.000 0.433 132 M N -0.130 119.483 119.600 0.022 0.000 2.132 132 M HA -0.150 4.331 4.480 0.002 0.000 0.263 132 M C 2.144 178.457 176.300 0.021 0.000 1.065 132 M CA 0.950 56.251 55.300 0.003 0.000 1.122 132 M CB -0.307 32.273 32.600 -0.033 0.000 1.365 132 M HN 0.231 nan 8.290 nan 0.000 0.411 133 L N 0.517 121.769 121.223 0.048 0.000 1.976 133 L HA -0.175 4.166 4.340 0.002 0.000 0.209 133 L C 2.363 179.275 176.870 0.071 0.000 1.071 133 L CA 1.984 56.868 54.840 0.074 0.000 0.746 133 L CB -0.899 41.265 42.059 0.175 0.000 0.890 133 L HN 0.319 nan 8.230 nan 0.000 0.432 134 C N 0.051 119.403 119.300 0.087 0.000 2.411 134 C HA -0.140 4.321 4.460 0.002 0.000 0.279 134 C C 3.018 178.028 174.990 0.033 0.000 1.288 134 C CA 0.615 59.666 59.018 0.055 0.000 1.764 134 C CB -1.876 25.895 27.740 0.051 0.000 1.974 134 C HN 0.751 nan 8.230 nan 0.000 0.498 135 A N 1.703 124.541 122.820 0.031 0.000 1.877 135 A HA -0.207 4.114 4.320 0.002 0.000 0.216 135 A C 2.234 179.828 177.584 0.016 0.000 1.186 135 A CA 1.914 53.962 52.037 0.019 0.000 0.620 135 A CB -0.457 18.551 19.000 0.014 0.000 0.822 135 A HN 0.801 nan 8.150 nan 0.000 0.443 136 R N -1.658 118.853 120.500 0.019 0.000 2.112 136 R HA 0.194 4.535 4.340 0.002 0.000 0.216 136 R C 1.703 178.012 176.300 0.015 0.000 1.080 136 R CA 1.022 57.132 56.100 0.016 0.000 0.996 136 R CB -0.734 29.576 30.300 0.017 0.000 0.902 136 R HN 0.148 nan 8.270 nan 0.000 0.449 137 V N 1.008 120.933 119.914 0.018 0.000 2.453 137 V HA 0.071 4.192 4.120 0.002 0.000 0.247 137 V C 1.378 177.478 176.094 0.009 0.000 1.048 137 V CA 2.019 64.326 62.300 0.012 0.000 1.049 137 V CB -0.133 31.700 31.823 0.017 0.000 0.672 137 V HN 0.829 nan 8.190 nan 0.000 0.457 138 G N -0.689 108.118 108.800 0.012 0.000 2.140 138 G HA2 -0.057 3.904 3.960 0.002 0.000 0.211 138 G HA3 -0.057 3.904 3.960 0.002 0.000 0.211 138 G C 0.093 174.996 174.900 0.005 0.000 1.013 138 G CA 0.248 45.352 45.100 0.007 0.000 0.705 138 G HN 1.007 nan 8.290 nan 0.000 0.508 139 A N -0.540 122.285 122.820 0.009 0.000 2.242 139 A HA 0.816 5.137 4.320 0.002 0.000 0.304 139 A C 0.396 177.978 177.584 -0.003 0.000 1.100 139 A CA 0.188 52.227 52.037 0.003 0.000 0.860 139 A CB 0.838 19.843 19.000 0.009 0.000 1.168 139 A HN 0.670 nan 8.150 nan 0.000 0.503 140 E N 0.104 120.294 120.200 -0.017 0.000 2.166 140 E HA 0.475 4.826 4.350 0.002 0.000 0.275 140 E C -1.829 174.744 176.600 -0.044 0.000 0.941 140 E CA -0.605 55.779 56.400 -0.026 0.000 0.784 140 E CB 1.233 30.914 29.700 -0.032 0.000 1.115 140 E HN 0.489 nan 8.360 nan 0.000 0.399 141 L N 5.038 126.238 121.223 -0.039 0.000 2.264 141 L HA 0.408 4.749 4.340 0.002 0.000 0.289 141 L C -0.725 176.100 176.870 -0.076 0.000 1.044 141 L CA -0.124 54.681 54.840 -0.058 0.000 0.807 141 L CB 0.738 42.784 42.059 -0.021 0.000 1.192 141 L HN 0.514 nan 8.230 nan 0.000 0.425 142 R N 3.793 124.222 120.500 -0.119 0.000 2.460 142 R HA 0.715 5.056 4.340 0.002 0.000 0.303 142 R C -1.282 174.936 176.300 -0.136 0.000 0.968 142 R CA -0.900 55.124 56.100 -0.128 0.000 0.889 142 R CB 2.073 32.273 30.300 -0.167 0.000 1.123 142 R HN 0.414 nan 8.270 nan 0.000 0.455 143 V N 4.578 124.429 119.914 -0.104 0.000 2.459 143 V HA 0.362 4.483 4.120 0.002 0.000 0.295 143 V C 0.284 176.319 176.094 -0.098 0.000 1.029 143 V CA -0.772 61.471 62.300 -0.095 0.000 0.874 143 V CB 1.883 33.668 31.823 -0.063 0.000 0.985 143 V HN 0.646 nan 8.190 nan 0.000 0.438 144 I N 7.751 128.259 120.570 -0.103 0.000 2.363 144 I HA 0.221 4.392 4.170 0.002 0.000 0.292 144 I C -1.755 174.309 176.117 -0.090 0.000 1.075 144 I CA -1.549 59.697 61.300 -0.090 0.000 1.333 144 I CB 1.239 39.192 38.000 -0.079 0.000 1.415 144 I HN 0.426 nan 8.210 nan 0.000 0.502 145 P HA -0.015 nan 4.420 nan 0.000 0.270 145 P C -0.651 176.557 177.300 -0.153 0.000 1.221 145 P CA -0.235 62.807 63.100 -0.097 0.000 0.788 145 P CB 1.032 32.702 31.700 -0.050 0.000 0.904 146 L N 1.967 123.021 121.223 -0.281 0.000 2.313 146 L HA 0.513 4.854 4.340 0.002 0.000 0.268 146 L C 0.080 176.774 176.870 -0.293 0.000 1.010 146 L CA -0.749 53.844 54.840 -0.413 0.000 0.814 146 L CB 1.225 42.772 42.059 -0.854 0.000 1.304 146 L HN 0.245 nan 8.230 nan 0.000 0.441 147 N N 1.218 119.816 118.700 -0.171 0.000 2.404 147 N HA 0.466 5.208 4.740 0.002 0.000 0.297 147 N C -2.096 173.500 175.510 0.144 0.000 1.163 147 N CA -1.883 51.180 53.050 0.022 0.000 0.864 147 N CB 1.706 40.212 38.487 0.032 0.000 1.247 147 N HN 0.280 nan 8.380 nan 0.000 0.510 148 P HA -0.135 nan 4.420 nan 0.000 0.216 148 P C 0.160 177.676 177.300 0.360 0.000 1.150 148 P CA 1.349 64.648 63.100 0.331 0.000 0.843 148 P CB 0.122 31.946 31.700 0.206 0.000 0.787 149 D N -1.678 118.853 120.400 0.219 0.000 2.358 149 D HA 0.071 4.712 4.640 0.002 0.000 0.241 149 D C 1.257 177.675 176.300 0.197 0.000 1.094 149 D CA 0.609 54.718 54.000 0.182 0.000 0.907 149 D CB -1.274 39.588 40.800 0.103 0.000 0.893 149 D HN 0.246 nan 8.370 nan 0.000 0.528 150 G N 0.053 109.010 108.800 0.263 0.000 2.147 150 G HA2 -0.251 3.710 3.960 0.002 0.000 0.244 150 G HA3 -0.251 3.710 3.960 0.002 0.000 0.244 150 G C 0.373 175.324 174.900 0.085 0.000 1.005 150 G CA 0.615 45.848 45.100 0.222 0.000 0.713 150 G HN 0.786 nan 8.290 nan 0.000 0.515 151 T N -2.328 112.254 114.554 0.046 0.000 2.949 151 T HA 0.791 5.143 4.350 0.002 0.000 0.287 151 T C 0.057 174.740 174.700 -0.028 0.000 1.034 151 T CA -1.135 60.975 62.100 0.016 0.000 1.018 151 T CB 2.306 71.190 68.868 0.027 0.000 1.135 151 T HN 0.301 nan 8.240 nan 0.000 0.532 152 L N 1.262 122.471 121.223 -0.024 0.000 2.395 152 L HA 0.347 4.688 4.340 0.002 0.000 0.269 152 L C 0.843 177.695 176.870 -0.029 0.000 1.133 152 L CA 0.066 54.881 54.840 -0.041 0.000 0.812 152 L CB 0.669 42.713 42.059 -0.026 0.000 1.125 152 L HN 0.806 nan 8.230 nan 0.000 0.452 153 Q N 2.362 122.138 119.800 -0.039 0.000 3.027 153 Q HA 0.058 4.399 4.340 0.002 0.000 0.260 153 Q C 0.775 176.770 176.000 -0.008 0.000 1.379 153 Q CA -0.454 55.337 55.803 -0.019 0.000 1.038 153 Q CB 0.329 29.053 28.738 -0.023 0.000 1.578 153 Q HN 0.488 nan 8.270 nan 0.000 0.571 154 L N 1.543 122.766 121.223 0.000 0.000 2.129 154 L HA -0.261 4.080 4.340 0.002 0.000 0.212 154 L C 2.206 179.086 176.870 0.016 0.000 1.087 154 L CA 1.729 56.576 54.840 0.011 0.000 0.757 154 L CB -0.741 41.323 42.059 0.010 0.000 0.896 154 L HN 0.587 nan 8.230 nan 0.000 0.434 155 E N -0.973 119.234 120.200 0.011 0.000 2.331 155 E HA -0.210 4.141 4.350 0.002 0.000 0.199 155 E C 1.582 178.191 176.600 0.015 0.000 1.008 155 E CA 1.487 57.895 56.400 0.013 0.000 0.843 155 E CB -0.916 28.790 29.700 0.010 0.000 0.761 155 E HN 0.634 nan 8.360 nan 0.000 0.507 156 T N -1.773 112.787 114.554 0.011 0.000 3.144 156 T HA 0.149 4.501 4.350 0.002 0.000 0.249 156 T C 1.556 176.266 174.700 0.017 0.000 1.089 156 T CA -0.309 61.795 62.100 0.006 0.000 0.989 156 T CB -0.038 68.825 68.868 -0.009 0.000 0.992 156 T HN -0.092 nan 8.240 nan 0.000 0.540 157 L N 2.043 123.294 121.223 0.046 0.000 2.005 157 L HA 0.208 4.549 4.340 0.002 0.000 0.207 157 L C -0.661 176.289 176.870 0.134 0.000 1.072 157 L CA 1.282 56.190 54.840 0.115 0.000 0.744 157 L CB -1.376 40.768 42.059 0.141 0.000 0.895 157 L HN 0.175 nan 8.230 nan 0.000 0.433 158 P HA -0.111 nan 4.420 nan 0.000 0.221 158 P C 1.243 178.578 177.300 0.058 0.000 1.145 158 P CA 1.557 64.705 63.100 0.080 0.000 0.795 158 P CB -0.271 31.465 31.700 0.059 0.000 0.775 159 T N -4.282 110.291 114.554 0.032 0.000 3.081 159 T HA 0.076 4.427 4.350 0.002 0.000 0.255 159 T C 1.381 176.067 174.700 -0.023 0.000 1.113 159 T CA 0.448 62.552 62.100 0.007 0.000 1.082 159 T CB -0.339 68.528 68.868 -0.002 0.000 0.939 159 T HN -0.092 nan 8.240 nan 0.000 0.506 160 L N -0.684 120.513 121.223 -0.044 0.000 2.349 160 L HA 0.500 4.842 4.340 0.002 0.000 0.200 160 L C 0.297 177.038 176.870 -0.216 0.000 1.064 160 L CA -0.029 54.721 54.840 -0.149 0.000 0.821 160 L CB -0.903 41.020 42.059 -0.225 0.000 1.027 160 L HN 0.208 nan 8.230 nan 0.000 0.476 161 F N 1.613 121.458 119.950 -0.174 0.000 2.504 161 F HA 0.305 4.833 4.527 0.002 0.000 0.369 161 F C 0.757 176.389 175.800 -0.281 0.000 1.082 161 F CA -0.311 57.503 58.000 -0.310 0.000 1.216 161 F CB 0.254 38.939 39.000 -0.524 0.000 1.108 161 F HN 0.245 nan 8.300 nan 0.000 0.554 162 D N 1.862 122.263 120.400 0.002 0.000 3.158 162 D HA 0.395 5.036 4.640 0.002 0.000 0.314 162 D C 0.414 176.830 176.300 0.193 0.000 1.308 162 D CA -0.218 53.844 54.000 0.105 0.000 1.001 162 D CB 0.437 41.270 40.800 0.054 0.000 1.389 162 D HN 0.322 nan 8.370 nan 0.000 0.595 163 A N -0.549 122.361 122.820 0.151 0.000 2.067 163 A HA 0.399 4.720 4.320 0.002 0.000 0.217 163 A C 1.818 179.460 177.584 0.097 0.000 1.156 163 A CA 1.694 53.812 52.037 0.135 0.000 0.683 163 A CB -0.854 18.200 19.000 0.090 0.000 0.808 163 A HN 0.703 nan 8.150 nan 0.000 0.455 164 A N -0.870 121.988 122.820 0.064 0.000 2.345 164 A HA 0.341 4.662 4.320 0.002 0.000 0.225 164 A C 0.774 178.374 177.584 0.028 0.000 1.243 164 A CA 0.210 52.269 52.037 0.038 0.000 0.875 164 A CB -0.453 18.556 19.000 0.015 0.000 0.929 164 A HN 0.196 nan 8.150 nan 0.000 0.502 165 T N 1.207 115.788 114.554 0.044 0.000 2.737 165 T HA 0.208 4.559 4.350 0.002 0.000 0.296 165 T C 1.219 175.974 174.700 0.090 0.000 0.922 165 T CA -0.258 61.851 62.100 0.015 0.000 1.079 165 T CB 0.615 69.481 68.868 -0.004 0.000 0.892 165 T HN 0.333 nan 8.240 nan 0.000 0.514 166 R N 2.150 122.695 120.500 0.076 0.000 2.074 166 R HA 0.306 4.647 4.340 0.002 0.000 0.218 166 R C 0.476 176.916 176.300 0.234 0.000 1.137 166 R CA 0.366 56.573 56.100 0.177 0.000 0.998 166 R CB -0.233 30.173 30.300 0.178 0.000 0.895 166 R HN 0.504 nan 8.270 nan 0.000 0.442 167 L N -0.426 120.848 121.223 0.085 0.000 2.393 167 L HA 0.524 4.865 4.340 0.002 0.000 0.260 167 L C -1.510 175.248 176.870 -0.188 0.000 1.002 167 L CA -0.654 54.163 54.840 -0.037 0.000 0.818 167 L CB 2.551 44.512 42.059 -0.164 0.000 1.369 167 L HN -0.099 nan 8.230 nan 0.000 0.412 168 L N 4.135 125.265 121.223 -0.156 0.000 2.345 168 L HA 0.742 5.083 4.340 0.002 0.000 0.274 168 L C -0.771 175.981 176.870 -0.197 0.000 0.999 168 L CA -0.469 54.269 54.840 -0.170 0.000 0.849 168 L CB 1.367 43.443 42.059 0.028 0.000 1.220 168 L HN 0.945 nan 8.230 nan 0.000 0.422 169 A N 5.830 128.459 122.820 -0.319 0.000 2.260 169 A HA 0.612 4.933 4.320 0.002 0.000 0.312 169 A C -0.818 176.716 177.584 -0.085 0.000 1.321 169 A CA -0.360 51.553 52.037 -0.206 0.000 0.928 169 A CB 0.645 19.439 19.000 -0.343 0.000 1.158 169 A HN 0.647 nan 8.150 nan 0.000 0.542 170 I N 1.972 122.526 120.570 -0.027 0.000 2.865 170 I HA 0.588 4.759 4.170 0.002 0.000 0.302 170 I C 0.340 176.464 176.117 0.011 0.000 1.140 170 I CA 0.067 61.361 61.300 -0.009 0.000 1.021 170 I CB 2.582 40.571 38.000 -0.019 0.000 1.233 170 I HN 0.634 nan 8.210 nan 0.000 0.427 171 T N 2.108 116.680 114.554 0.029 0.000 2.889 171 T HA 0.255 4.606 4.350 0.002 0.000 0.291 171 T C 0.873 175.626 174.700 0.089 0.000 0.995 171 T CA -0.114 62.017 62.100 0.051 0.000 1.092 171 T CB 0.906 69.813 68.868 0.065 0.000 0.954 171 T HN 0.647 nan 8.240 nan 0.000 0.506 172 H N 1.914 120.989 119.070 0.007 0.000 2.333 172 H HA 0.204 4.761 4.556 0.002 0.000 0.302 172 H C 0.303 175.674 175.328 0.072 0.000 1.075 172 H CA 0.891 56.974 56.048 0.059 0.000 1.348 172 H CB 0.103 29.914 29.762 0.082 0.000 1.393 172 H HN 0.453 nan 8.280 nan 0.000 0.509 173 V N -0.251 119.796 119.914 0.222 0.000 3.007 173 V HA 0.229 4.350 4.120 0.002 0.000 0.311 173 V C -0.201 175.949 176.094 0.093 0.000 1.120 173 V CA -0.941 61.444 62.300 0.141 0.000 0.980 173 V CB 1.997 33.882 31.823 0.104 0.000 1.033 173 V HN 0.251 nan 8.190 nan 0.000 0.429 174 S N 1.973 117.718 115.700 0.075 0.000 2.562 174 S HA 0.195 4.667 4.470 0.002 0.000 0.275 174 S C 1.099 175.727 174.600 0.047 0.000 1.281 174 S CA -0.386 57.850 58.200 0.059 0.000 1.045 174 S CB 0.521 63.751 63.200 0.051 0.000 0.962 174 S HN 0.926 nan 8.310 nan 0.000 0.503 175 N N 4.036 122.767 118.700 0.052 0.000 2.412 175 N HA -0.022 4.720 4.740 0.002 0.000 0.184 175 N C 0.835 176.332 175.510 -0.021 0.000 1.101 175 N CA 0.497 53.573 53.050 0.042 0.000 0.881 175 N CB 0.059 38.610 38.487 0.107 0.000 0.969 175 N HN 0.372 nan 8.380 nan 0.000 0.459 176 V N 0.077 119.970 119.914 -0.035 0.000 3.090 176 V HA 0.195 4.317 4.120 0.002 0.000 0.237 176 V C 1.999 178.053 176.094 -0.066 0.000 1.209 176 V CA 0.213 62.442 62.300 -0.117 0.000 1.209 176 V CB 0.147 31.916 31.823 -0.089 0.000 0.971 176 V HN 0.069 nan 8.190 nan 0.000 0.477 177 L N 0.530 121.752 121.223 -0.002 0.000 2.513 177 L HA 0.418 4.759 4.340 0.002 0.000 0.222 177 L C 1.795 178.679 176.870 0.023 0.000 1.096 177 L CA 0.953 55.810 54.840 0.029 0.000 0.857 177 L CB -0.233 41.870 42.059 0.074 0.000 1.026 177 L HN 0.529 nan 8.230 nan 0.000 0.469 178 G N 0.721 109.529 108.800 0.014 0.000 2.155 178 G HA2 -0.273 3.689 3.960 0.002 0.000 0.257 178 G HA3 -0.273 3.689 3.960 0.002 0.000 0.257 178 G C 0.332 175.248 174.900 0.026 0.000 0.983 178 G CA 0.501 45.604 45.100 0.006 0.000 0.676 178 G HN 0.302 nan 8.290 nan 0.000 0.528 179 T N 0.159 114.740 114.554 0.045 0.000 2.919 179 T HA 0.429 4.780 4.350 0.002 0.000 0.302 179 T C 0.302 175.049 174.700 0.078 0.000 1.031 179 T CA 0.519 62.652 62.100 0.055 0.000 1.127 179 T CB 1.780 70.682 68.868 0.056 0.000 0.952 179 T HN 0.452 nan 8.240 nan 0.000 0.540 180 E N 3.401 123.653 120.200 0.086 0.000 2.101 180 E HA 0.148 4.499 4.350 0.002 0.000 0.260 180 E C -0.249 176.421 176.600 0.115 0.000 0.897 180 E CA -0.778 55.705 56.400 0.139 0.000 0.744 180 E CB 0.190 29.978 29.700 0.147 0.000 1.140 180 E HN 0.436 nan 8.360 nan 0.000 0.419 181 N N 4.564 123.329 118.700 0.109 0.000 2.374 181 N HA 0.036 4.777 4.740 0.002 0.000 0.241 181 N C -2.046 173.486 175.510 0.038 0.000 1.262 181 N CA -0.800 52.285 53.050 0.057 0.000 0.880 181 N CB 0.453 38.962 38.487 0.037 0.000 1.105 181 N HN 0.471 nan 8.380 nan 0.000 0.438 182 P HA 0.075 nan 4.420 nan 0.000 0.226 182 P C 0.854 178.136 177.300 -0.029 0.000 1.783 182 P CA -0.294 62.804 63.100 -0.003 0.000 0.980 182 P CB 0.090 31.788 31.700 -0.003 0.000 1.967 183 L N 1.935 123.123 121.223 -0.058 0.000 1.976 183 L HA -0.279 4.062 4.340 0.002 0.000 0.223 183 L C 2.716 179.540 176.870 -0.077 0.000 1.081 183 L CA 2.415 57.198 54.840 -0.095 0.000 0.784 183 L CB -2.011 39.929 42.059 -0.199 0.000 0.896 183 L HN 0.205 nan 8.230 nan 0.000 0.438 184 A N -0.659 122.124 122.820 -0.063 0.000 1.893 184 A HA -0.331 3.990 4.320 0.002 0.000 0.222 184 A C 2.122 179.673 177.584 -0.055 0.000 1.309 184 A CA 2.474 54.482 52.037 -0.048 0.000 0.681 184 A CB -0.847 18.135 19.000 -0.030 0.000 0.842 184 A HN 0.561 nan 8.150 nan 0.000 0.468 185 E N -0.665 119.506 120.200 -0.048 0.000 2.051 185 E HA -0.189 4.162 4.350 0.002 0.000 0.192 185 E C 2.133 178.684 176.600 -0.082 0.000 0.991 185 E CA 1.508 57.876 56.400 -0.054 0.000 0.799 185 E CB -0.549 29.128 29.700 -0.039 0.000 0.748 185 E HN 0.765 nan 8.360 nan 0.000 0.449 186 M N 0.137 119.690 119.600 -0.077 0.000 2.213 186 M HA -0.121 4.360 4.480 0.002 0.000 0.263 186 M C 2.110 178.316 176.300 -0.157 0.000 1.062 186 M CA 0.829 56.073 55.300 -0.093 0.000 1.105 186 M CB -0.099 32.481 32.600 -0.033 0.000 1.385 186 M HN 0.055 nan 8.290 nan 0.000 0.417 187 I N 0.152 120.625 120.570 -0.162 0.000 2.179 187 I HA -0.256 3.915 4.170 0.002 0.000 0.242 187 I C 2.761 178.648 176.117 -0.383 0.000 1.088 187 I CA 2.217 63.350 61.300 -0.279 0.000 1.357 187 I CB -1.710 36.175 38.000 -0.191 0.000 1.051 187 I HN 0.423 nan 8.210 nan 0.000 0.409 188 T N -0.089 114.356 114.554 -0.181 0.000 2.777 188 T HA -0.181 4.170 4.350 0.002 0.000 0.266 188 T C 2.096 176.728 174.700 -0.114 0.000 1.040 188 T CA 1.097 63.151 62.100 -0.078 0.000 1.141 188 T CB -0.785 68.064 68.868 -0.031 0.000 0.868 188 T HN 0.231 nan 8.240 nan 0.000 0.444 189 L N 1.253 122.357 121.223 -0.200 0.000 2.012 189 L HA 0.061 4.402 4.340 0.002 0.000 0.210 189 L C 3.052 179.662 176.870 -0.432 0.000 1.073 189 L CA 1.843 56.508 54.840 -0.290 0.000 0.748 189 L CB -0.770 41.049 42.059 -0.401 0.000 0.891 189 L HN 0.432 nan 8.230 nan 0.000 0.431 190 A N -1.748 120.743 122.820 -0.549 0.000 1.969 190 A HA -0.242 4.079 4.320 0.002 0.000 0.218 190 A C 2.003 179.578 177.584 -0.015 0.000 1.169 190 A CA 1.740 53.547 52.037 -0.383 0.000 0.635 190 A CB -0.960 17.995 19.000 -0.074 0.000 0.810 190 A HN 0.676 nan 8.150 nan 0.000 0.445 191 H N -1.119 117.926 119.070 -0.043 0.000 2.395 191 H HA -0.044 4.513 4.556 0.002 0.000 0.299 191 H C 2.194 177.521 175.328 -0.001 0.000 1.070 191 H CA 0.938 56.984 56.048 -0.003 0.000 1.356 191 H CB 0.078 29.826 29.762 -0.023 0.000 1.401 191 H HN 0.538 nan 8.280 nan 0.000 0.524 192 Q N 0.102 119.959 119.800 0.095 0.000 2.248 192 Q HA -0.169 4.172 4.340 0.002 0.000 0.208 192 Q C 1.049 176.998 176.000 -0.086 0.000 0.984 192 Q CA 1.115 56.908 55.803 -0.017 0.000 0.875 192 Q CB 0.075 28.768 28.738 -0.074 0.000 0.910 192 Q HN 0.750 nan 8.270 nan 0.000 0.433 193 H N -1.729 117.338 119.070 -0.005 0.000 2.551 193 H HA 0.151 4.708 4.556 0.002 0.000 0.271 193 H C 0.922 176.301 175.328 0.084 0.000 0.984 193 H CA 0.567 56.641 56.048 0.044 0.000 1.164 193 H CB 0.974 30.786 29.762 0.082 0.000 1.437 193 H HN 0.412 nan 8.280 nan 0.000 0.550 194 G N 1.259 110.170 108.800 0.185 0.000 2.160 194 G HA2 -0.218 3.743 3.960 0.002 0.000 0.244 194 G HA3 -0.218 3.743 3.960 0.002 0.000 0.244 194 G C 0.179 175.210 174.900 0.218 0.000 1.022 194 G CA 0.249 45.447 45.100 0.164 0.000 0.741 194 G HN 0.628 nan 8.290 nan 0.000 0.508 195 A N -0.757 122.222 122.820 0.265 0.000 2.325 195 A HA 0.879 5.200 4.320 0.002 0.000 0.333 195 A C 0.257 178.004 177.584 0.271 0.000 1.155 195 A CA -0.399 51.801 52.037 0.272 0.000 0.814 195 A CB 1.068 20.249 19.000 0.303 0.000 1.206 195 A HN 0.278 nan 8.150 nan 0.000 0.482 196 K N -0.229 120.307 120.400 0.226 0.000 2.090 196 K HA 0.631 4.952 4.320 0.002 0.000 0.250 196 K C -0.886 175.743 176.600 0.049 0.000 1.004 196 K CA -0.133 56.234 56.287 0.134 0.000 0.919 196 K CB 1.478 33.995 32.500 0.028 0.000 1.045 196 K HN 0.381 nan 8.250 nan 0.000 0.471 197 V N 2.332 122.262 119.914 0.025 0.000 2.525 197 V HA 0.380 4.501 4.120 0.002 0.000 0.299 197 V C -1.045 175.121 176.094 0.119 0.000 1.034 197 V CA -0.894 61.413 62.300 0.011 0.000 0.863 197 V CB 1.437 33.215 31.823 -0.074 0.000 0.999 197 V HN 0.579 nan 8.190 nan 0.000 0.423 198 L N 5.839 127.131 121.223 0.114 0.000 2.276 198 L HA 0.675 5.016 4.340 0.002 0.000 0.286 198 L C -0.761 176.157 176.870 0.080 0.000 1.024 198 L CA -0.377 54.572 54.840 0.183 0.000 0.826 198 L CB 1.332 43.450 42.059 0.099 0.000 1.211 198 L HN 0.520 nan 8.230 nan 0.000 0.422 199 V N 3.970 123.928 119.914 0.073 0.000 2.383 199 V HA 0.197 4.318 4.120 0.002 0.000 0.275 199 V C -0.126 175.810 176.094 -0.264 0.000 1.036 199 V CA -0.541 61.725 62.300 -0.056 0.000 0.889 199 V CB 1.322 33.166 31.823 0.034 0.000 0.985 199 V HN 0.658 nan 8.190 nan 0.000 0.459 200 D N 4.568 124.872 120.400 -0.160 0.000 2.494 200 D HA 0.228 4.869 4.640 0.002 0.000 0.217 200 D C 0.900 177.096 176.300 -0.174 0.000 1.153 200 D CA -0.242 53.660 54.000 -0.163 0.000 0.954 200 D CB 0.890 41.665 40.800 -0.042 0.000 1.034 200 D HN 0.642 nan 8.370 nan 0.000 0.518 201 G N 2.061 110.630 108.800 -0.385 0.000 3.782 201 G HA2 0.340 4.301 3.960 0.002 0.000 0.288 201 G HA3 0.340 4.301 3.960 0.002 0.000 0.288 201 G C 1.126 176.009 174.900 -0.028 0.000 1.300 201 G CA 0.107 45.124 45.100 -0.138 0.000 1.261 201 G HN 0.476 nan 8.290 nan 0.000 0.591 202 A N -0.011 122.785 122.820 -0.040 0.000 2.067 202 A HA 0.021 4.342 4.320 0.002 0.000 0.219 202 A C 1.839 179.364 177.584 -0.097 0.000 1.158 202 A CA 1.096 53.115 52.037 -0.029 0.000 0.661 202 A CB 0.101 19.052 19.000 -0.082 0.000 0.801 202 A HN 0.429 nan 8.150 nan 0.000 0.452 203 Q N -2.022 117.723 119.800 -0.091 0.000 2.157 203 Q HA 0.577 4.918 4.340 0.002 0.000 0.229 203 Q C 0.860 176.781 176.000 -0.133 0.000 0.827 203 Q CA 0.504 56.244 55.803 -0.106 0.000 1.055 203 Q CB 0.505 29.240 28.738 -0.004 0.000 1.157 203 Q HN 0.517 nan 8.270 nan 0.000 0.482 204 A N -1.206 121.475 122.820 -0.231 0.000 1.997 204 A HA 0.092 4.413 4.320 0.002 0.000 0.198 204 A C 1.646 178.918 177.584 -0.520 0.000 1.449 204 A CA 0.681 52.482 52.037 -0.394 0.000 0.908 204 A CB -0.412 18.206 19.000 -0.637 0.000 0.984 204 A HN 0.293 nan 8.150 nan 0.000 0.487 205 V N -0.279 119.412 119.914 -0.372 0.000 2.439 205 V HA -0.294 3.827 4.120 0.002 0.000 0.253 205 V C 2.179 178.116 176.094 -0.262 0.000 1.074 205 V CA 2.245 64.342 62.300 -0.337 0.000 1.076 205 V CB -1.317 30.249 31.823 -0.427 0.000 0.664 205 V HN 0.680 nan 8.190 nan 0.000 0.461 206 M N -0.908 118.464 119.600 -0.380 0.000 2.502 206 M HA 0.134 4.615 4.480 0.002 0.000 0.243 206 M C 1.657 177.805 176.300 -0.253 0.000 1.130 206 M CA 1.371 56.495 55.300 -0.292 0.000 1.055 206 M CB -1.008 31.322 32.600 -0.450 0.000 1.457 206 M HN 0.452 nan 8.290 nan 0.000 0.488 207 H N 0.588 119.578 119.070 -0.135 0.000 2.516 207 H HA 0.264 4.821 4.556 0.002 0.000 0.284 207 H C 0.035 175.356 175.328 -0.013 0.000 0.999 207 H CA 1.190 57.195 56.048 -0.072 0.000 1.303 207 H CB 0.081 29.808 29.762 -0.059 0.000 1.452 207 H HN 0.736 nan 8.280 nan 0.000 0.530 208 H N -3.014 116.059 119.070 0.005 0.000 2.948 208 H HA 0.481 5.038 4.556 0.002 0.000 0.315 208 H C -3.134 172.115 175.328 -0.132 0.000 1.360 208 H CA -2.253 53.764 56.048 -0.051 0.000 1.125 208 H CB 0.447 30.183 29.762 -0.044 0.000 1.844 208 H HN -0.245 nan 8.280 nan 0.000 0.529 209 P HA 0.218 nan 4.420 nan 0.000 0.269 209 P C -0.780 176.469 177.300 -0.086 0.000 1.215 209 P CA -0.344 62.675 63.100 -0.135 0.000 0.780 209 P CB 0.708 32.349 31.700 -0.098 0.000 0.898 210 V N 2.059 121.816 119.914 -0.262 0.000 2.686 210 V HA 0.309 4.430 4.120 0.002 0.000 0.306 210 V C -0.749 175.183 176.094 -0.270 0.000 1.065 210 V CA -0.281 61.891 62.300 -0.213 0.000 0.894 210 V CB 2.147 33.786 31.823 -0.307 0.000 1.004 210 V HN 0.482 nan 8.190 nan 0.000 0.424 211 D N 3.229 123.511 120.400 -0.197 0.000 2.432 211 D HA 0.223 4.864 4.640 0.002 0.000 0.265 211 D C 0.975 177.138 176.300 -0.228 0.000 1.160 211 D CA -0.272 53.604 54.000 -0.206 0.000 0.911 211 D CB 1.767 42.490 40.800 -0.128 0.000 1.052 211 D HN 0.383 nan 8.370 nan 0.000 0.508 212 V N 1.698 121.391 119.914 -0.368 0.000 2.794 212 V HA -0.236 3.885 4.120 0.002 0.000 0.260 212 V C 1.599 177.585 176.094 -0.180 0.000 1.103 212 V CA 1.438 63.508 62.300 -0.384 0.000 1.125 212 V CB -0.554 30.785 31.823 -0.807 0.000 0.702 212 V HN 0.440 nan 8.190 nan 0.000 0.494 213 Q N 0.331 120.042 119.800 -0.148 0.000 2.163 213 Q HA 0.143 4.484 4.340 0.002 0.000 0.198 213 Q C 2.464 178.441 176.000 -0.039 0.000 0.954 213 Q CA 1.375 57.141 55.803 -0.061 0.000 0.851 213 Q CB -0.157 28.546 28.738 -0.057 0.000 0.928 213 Q HN 0.771 nan 8.270 nan 0.000 0.459 214 A N 0.373 123.159 122.820 -0.056 0.000 1.970 214 A HA -0.085 4.237 4.320 0.002 0.000 0.216 214 A C 1.940 179.510 177.584 -0.023 0.000 1.170 214 A CA 0.783 52.798 52.037 -0.036 0.000 0.645 214 A CB -0.268 18.707 19.000 -0.042 0.000 0.816 214 A HN 0.212 nan 8.150 nan 0.000 0.447 215 L N -1.036 120.167 121.223 -0.033 0.000 2.156 215 L HA -0.047 4.294 4.340 0.002 0.000 0.208 215 L C 1.020 177.902 176.870 0.020 0.000 1.095 215 L CA 1.568 56.398 54.840 -0.017 0.000 0.770 215 L CB -0.267 41.775 42.059 -0.028 0.000 0.914 215 L HN 0.545 nan 8.230 nan 0.000 0.439 216 D N -1.504 118.921 120.400 0.041 0.000 3.041 216 D HA -0.193 4.448 4.640 0.002 0.000 0.220 216 D C 0.335 176.736 176.300 0.169 0.000 1.157 216 D CA 0.717 54.779 54.000 0.104 0.000 0.876 216 D CB -1.331 39.547 40.800 0.130 0.000 1.107 216 D HN 0.464 nan 8.370 nan 0.000 0.422 217 C N -1.164 118.213 119.300 0.128 0.000 2.656 217 C HA 0.436 4.897 4.460 0.002 0.000 0.391 217 C C 1.730 176.784 174.990 0.106 0.000 1.300 217 C CA -0.257 58.840 59.018 0.131 0.000 2.302 217 C CB 0.925 28.782 27.740 0.195 0.000 2.655 217 C HN 0.273 nan 8.230 nan 0.000 0.656 218 D N -0.184 120.180 120.400 -0.061 0.000 2.346 218 D HA 0.168 4.809 4.640 0.002 0.000 0.206 218 D C -0.214 175.586 176.300 -0.833 0.000 1.001 218 D CA 1.048 54.762 54.000 -0.477 0.000 0.871 218 D CB 0.166 40.553 40.800 -0.688 0.000 0.943 218 D HN 0.645 nan 8.370 nan 0.000 0.518 219 F N -0.228 119.730 119.950 0.013 0.000 2.581 219 F HA 0.403 4.931 4.527 0.002 0.000 0.311 219 F C -1.020 174.912 175.800 0.220 0.000 1.113 219 F CA -1.307 56.699 58.000 0.010 0.000 0.935 219 F CB 2.057 40.986 39.000 -0.119 0.000 1.232 219 F HN -0.309 nan 8.300 nan 0.000 0.445 220 Y N 2.884 123.398 120.300 0.356 0.000 2.401 220 Y HA 0.678 5.229 4.550 0.002 0.000 0.330 220 Y C -1.586 174.454 175.900 0.233 0.000 1.071 220 Y CA -1.040 57.241 58.100 0.302 0.000 1.049 220 Y CB 1.703 40.359 38.460 0.327 0.000 1.239 220 Y HN 0.449 nan 8.280 nan 0.000 0.437 221 V N 3.625 123.510 119.914 -0.049 0.000 2.962 221 V HA 0.845 4.966 4.120 0.002 0.000 0.313 221 V C -1.096 175.026 176.094 0.047 0.000 1.099 221 V CA -1.211 61.075 62.300 -0.023 0.000 0.971 221 V CB 1.943 33.717 31.823 -0.081 0.000 1.028 221 V HN 0.755 nan 8.190 nan 0.000 0.430 222 F N -0.464 119.489 119.950 0.007 0.000 2.719 222 F HA 0.871 5.400 4.527 0.002 0.000 0.309 222 F C -0.657 175.132 175.800 -0.018 0.000 1.138 222 F CA -0.877 57.112 58.000 -0.017 0.000 0.943 222 F CB 1.106 40.144 39.000 0.062 0.000 1.304 222 F HN 0.427 nan 8.300 nan 0.000 0.445 223 S N 0.381 116.189 115.700 0.180 0.000 2.549 223 S HA 0.556 5.027 4.470 0.002 0.000 0.297 223 S C 0.769 175.425 174.600 0.093 0.000 1.115 223 S CA -0.260 57.980 58.200 0.066 0.000 1.059 223 S CB 1.522 64.702 63.200 -0.033 0.000 1.046 223 S HN 1.151 nan 8.310 nan 0.000 0.506 224 G N 0.993 109.853 108.800 0.100 0.000 2.408 224 G HA2 -0.164 3.797 3.960 0.002 0.000 0.215 224 G HA3 -0.164 3.797 3.960 0.002 0.000 0.215 224 G C 1.065 175.974 174.900 0.015 0.000 1.156 224 G CA 0.685 45.838 45.100 0.089 0.000 0.793 224 G HN 0.964 nan 8.290 nan 0.000 0.535 225 H N -0.189 118.901 119.070 0.032 0.000 2.541 225 H HA 0.177 4.734 4.556 0.002 0.000 0.289 225 H C 2.012 177.335 175.328 -0.009 0.000 1.054 225 H CA 1.413 57.474 56.048 0.022 0.000 1.250 225 H CB -0.012 29.768 29.762 0.030 0.000 1.369 225 H HN 0.340 nan 8.280 nan 0.000 0.578 226 K N -0.209 119.868 120.400 -0.539 0.000 2.352 226 K HA 0.122 4.443 4.320 0.002 0.000 0.194 226 K C 0.317 176.638 176.600 -0.466 0.000 1.038 226 K CA 0.018 56.030 56.287 -0.458 0.000 1.023 226 K CB 0.510 32.715 32.500 -0.491 0.000 0.840 226 K HN 0.187 nan 8.250 nan 0.000 0.519 227 L N 1.028 122.040 121.223 -0.353 0.000 3.001 227 L HA 0.136 4.477 4.340 0.002 0.000 0.234 227 L C -1.014 175.745 176.870 -0.185 0.000 1.321 227 L CA -0.079 54.543 54.840 -0.362 0.000 1.138 227 L CB -1.172 40.787 42.059 -0.167 0.000 1.503 227 L HN 0.205 nan 8.230 nan 0.000 0.487 228 Y N -1.897 118.444 120.300 0.068 0.000 4.079 228 Y HA -0.218 4.333 4.550 0.002 0.000 0.223 228 Y C 1.148 177.096 175.900 0.079 0.000 1.155 228 Y CA 0.616 58.799 58.100 0.139 0.000 1.805 228 Y CB -2.200 36.377 38.460 0.195 0.000 1.571 228 Y HN 0.403 nan 8.280 nan 0.000 0.654 229 G N -0.731 108.141 108.800 0.120 0.000 2.667 229 G HA2 0.740 4.702 3.960 0.002 0.000 0.310 229 G HA3 0.740 4.702 3.960 0.002 0.000 0.310 229 G C -2.650 172.311 174.900 0.101 0.000 1.259 229 G CA -1.738 43.416 45.100 0.091 0.000 1.019 229 G HN -0.030 nan 8.290 nan 0.000 0.496 230 P HA 0.192 nan 4.420 nan 0.000 0.274 230 P C 0.445 177.807 177.300 0.103 0.000 1.237 230 P CA -0.032 63.111 63.100 0.071 0.000 0.793 230 P CB 0.750 32.469 31.700 0.031 0.000 0.977 231 T N -3.655 110.948 114.554 0.081 0.000 2.849 231 T HA 0.449 4.800 4.350 0.002 0.000 0.284 231 T C 1.161 175.887 174.700 0.043 0.000 1.004 231 T CA 0.309 62.443 62.100 0.058 0.000 1.021 231 T CB -0.084 68.768 68.868 -0.026 0.000 1.013 231 T HN 0.810 nan 8.240 nan 0.000 0.527 232 G N 0.318 109.139 108.800 0.034 0.000 2.148 232 G HA2 -0.158 3.803 3.960 0.002 0.000 0.254 232 G HA3 -0.158 3.803 3.960 0.002 0.000 0.254 232 G C -0.100 174.825 174.900 0.042 0.000 0.981 232 G CA 0.147 45.266 45.100 0.032 0.000 0.670 232 G HN 0.827 nan 8.290 nan 0.000 0.528 233 I N 0.386 120.995 120.570 0.064 0.000 2.619 233 I HA 0.747 4.918 4.170 0.002 0.000 0.292 233 I C 0.311 176.472 176.117 0.073 0.000 1.100 233 I CA 0.196 61.529 61.300 0.055 0.000 1.043 233 I CB 1.720 39.730 38.000 0.017 0.000 1.239 233 I HN 0.453 nan 8.210 nan 0.000 0.420 234 G N 6.100 114.935 108.800 0.058 0.000 2.692 234 G HA2 0.660 4.621 3.960 0.002 0.000 0.291 234 G HA3 0.660 4.621 3.960 0.002 0.000 0.291 234 G C -2.107 172.722 174.900 -0.119 0.000 1.423 234 G CA -0.353 44.723 45.100 -0.040 0.000 0.843 234 G HN 0.245 nan 8.290 nan 0.000 0.486 235 I N 0.305 120.589 120.570 -0.478 0.000 2.404 235 I HA 0.535 4.706 4.170 0.002 0.000 0.293 235 I C -0.653 175.201 176.117 -0.438 0.000 0.992 235 I CA -1.059 59.926 61.300 -0.524 0.000 1.149 235 I CB 1.775 39.299 38.000 -0.794 0.000 1.315 235 I HN 0.400 nan 8.210 nan 0.000 0.446 236 L N 8.613 129.704 121.223 -0.220 0.000 2.319 236 L HA 0.508 4.849 4.340 0.002 0.000 0.281 236 L C -1.615 175.242 176.870 -0.022 0.000 1.005 236 L CA -0.444 54.333 54.840 -0.107 0.000 0.828 236 L CB 0.932 42.922 42.059 -0.114 0.000 1.227 236 L HN 0.530 nan 8.230 nan 0.000 0.415 237 Y N 5.721 126.012 120.300 -0.015 0.000 2.331 237 Y HA 0.683 5.234 4.550 0.002 0.000 0.338 237 Y C -1.343 174.585 175.900 0.046 0.000 0.992 237 Y CA -0.716 57.392 58.100 0.013 0.000 1.121 237 Y CB 1.618 40.132 38.460 0.089 0.000 1.184 237 Y HN 0.560 nan 8.280 nan 0.000 0.469 238 V N 6.672 126.145 119.914 -0.734 0.000 2.760 238 V HA 0.450 4.571 4.120 0.002 0.000 0.309 238 V C -1.024 174.591 176.094 -0.800 0.000 1.077 238 V CA -1.220 60.683 62.300 -0.662 0.000 0.910 238 V CB 1.620 33.321 31.823 -0.202 0.000 1.008 238 V HN 0.858 nan 8.190 nan 0.000 0.424 239 K N 3.900 123.862 120.400 -0.730 0.000 2.504 239 K HA -0.060 4.261 4.320 0.002 0.000 0.278 239 K C 1.323 177.769 176.600 -0.257 0.000 1.025 239 K CA 1.287 57.315 56.287 -0.432 0.000 1.093 239 K CB 0.446 32.758 32.500 -0.313 0.000 0.873 239 K HN 0.929 nan 8.250 nan 0.000 0.483 240 E N 3.681 123.783 120.200 -0.164 0.000 2.086 240 E HA -0.356 3.996 4.350 0.002 0.000 0.205 240 E C 1.709 178.287 176.600 -0.036 0.000 1.027 240 E CA 1.965 58.319 56.400 -0.076 0.000 0.830 240 E CB -0.038 29.644 29.700 -0.030 0.000 0.751 240 E HN 0.736 nan 8.360 nan 0.000 0.456 241 A N 0.503 123.300 122.820 -0.038 0.000 1.903 241 A HA -0.224 4.097 4.320 0.002 0.000 0.219 241 A C 2.253 179.848 177.584 0.017 0.000 1.191 241 A CA 1.950 53.982 52.037 -0.008 0.000 0.638 241 A CB -0.815 18.171 19.000 -0.022 0.000 0.823 241 A HN 0.367 nan 8.150 nan 0.000 0.451 242 L N -1.028 120.186 121.223 -0.015 0.000 2.072 242 L HA -0.066 4.275 4.340 0.002 0.000 0.205 242 L C 2.563 179.502 176.870 0.116 0.000 1.079 242 L CA 0.742 55.619 54.840 0.061 0.000 0.752 242 L CB -0.363 41.675 42.059 -0.036 0.000 0.906 242 L HN 0.400 nan 8.230 nan 0.000 0.436 243 L N -0.499 120.747 121.223 0.038 0.000 1.989 243 L HA -0.261 4.080 4.340 0.002 0.000 0.211 243 L C 2.769 179.770 176.870 0.219 0.000 1.071 243 L CA 1.427 56.319 54.840 0.087 0.000 0.749 243 L CB -0.395 41.664 42.059 0.000 0.000 0.890 243 L HN 0.411 nan 8.230 nan 0.000 0.431 244 Q N -0.273 119.619 119.800 0.153 0.000 2.308 244 Q HA -0.215 4.127 4.340 0.002 0.000 0.209 244 Q C 1.840 177.945 176.000 0.175 0.000 0.985 244 Q CA 1.251 57.151 55.803 0.162 0.000 0.881 244 Q CB -0.188 28.617 28.738 0.111 0.000 0.917 244 Q HN 0.570 nan 8.270 nan 0.000 0.443 245 E N -0.519 119.787 120.200 0.177 0.000 2.340 245 E HA 0.109 4.460 4.350 0.002 0.000 0.194 245 E C 0.589 177.311 176.600 0.205 0.000 0.996 245 E CA 0.027 56.526 56.400 0.165 0.000 0.869 245 E CB 0.099 29.880 29.700 0.134 0.000 0.835 245 E HN 0.400 nan 8.360 nan 0.000 0.493 246 M N 3.219 122.995 119.600 0.294 0.000 2.239 246 M HA 0.095 4.576 4.480 0.002 0.000 0.348 246 M C -2.057 174.465 176.300 0.371 0.000 1.239 246 M CA -1.104 54.410 55.300 0.357 0.000 1.114 246 M CB 0.141 32.981 32.600 0.401 0.000 1.641 246 M HN -0.205 nan 8.290 nan 0.000 0.453 247 P HA 0.401 nan 4.420 nan 0.000 0.278 247 P C -2.773 174.562 177.300 0.059 0.000 1.266 247 P CA -1.601 61.555 63.100 0.094 0.000 0.807 247 P CB -0.270 31.477 31.700 0.077 0.000 1.094 248 P HA 0.005 nan 4.420 nan 0.000 0.274 248 P C -0.249 177.053 177.300 0.002 0.000 1.237 248 P CA 0.058 62.958 63.100 -0.334 0.000 0.793 248 P CB 0.752 31.903 31.700 -0.914 0.000 0.977 249 W N 1.756 123.005 121.300 -0.085 0.000 3.517 249 W HA 0.272 4.933 4.660 0.001 0.000 0.234 249 W C 0.088 176.563 176.519 -0.074 0.000 0.972 249 W CA 0.699 58.022 57.345 -0.037 0.000 2.002 249 W CB -0.184 29.297 29.460 0.036 0.000 1.018 249 W HN 0.279 nan 8.180 nan 0.000 0.712 250 E N 0.409 120.496 120.200 -0.189 0.000 2.216 250 E HA 0.477 4.828 4.350 0.002 0.000 0.279 250 E C 0.002 176.474 176.600 -0.213 0.000 0.997 250 E CA -0.242 55.949 56.400 -0.347 0.000 0.817 250 E CB 1.247 30.736 29.700 -0.352 0.000 1.096 250 E HN 0.103 nan 8.360 nan 0.000 0.393 251 G N 1.099 109.792 108.800 -0.178 0.000 2.644 251 G HA2 0.698 4.659 3.960 0.002 0.000 0.307 251 G HA3 0.698 4.659 3.960 0.002 0.000 0.307 251 G C 0.071 174.962 174.900 -0.016 0.000 1.250 251 G CA -0.023 45.013 45.100 -0.105 0.000 0.996 251 G HN 0.810 nan 8.290 nan 0.000 0.489 252 G N -1.172 107.670 108.800 0.069 0.000 2.475 252 G HA2 0.376 4.337 3.960 0.002 0.000 0.223 252 G HA3 0.376 4.337 3.960 0.002 0.000 0.223 252 G C 1.321 176.259 174.900 0.063 0.000 1.201 252 G CA 0.844 45.983 45.100 0.065 0.000 0.962 252 G HN 2.583 nan 8.290 nan 0.000 0.586 253 G N -0.530 108.292 108.800 0.036 0.000 2.698 253 G HA2 0.017 3.978 3.960 0.002 0.000 0.346 253 G HA3 0.017 3.978 3.960 0.002 0.000 0.346 253 G C 1.506 176.428 174.900 0.037 0.000 1.287 253 G CA 3.276 48.396 45.100 0.033 0.000 0.990 253 G HN 2.614 nan 8.290 nan 0.000 0.545 254 S N -0.594 115.162 115.700 0.093 0.000 2.741 254 S HA 0.387 4.858 4.470 0.002 0.000 0.247 254 S C 1.405 176.103 174.600 0.164 0.000 1.050 254 S CA 0.779 59.049 58.200 0.117 0.000 1.025 254 S CB 0.336 63.646 63.200 0.184 0.000 0.897 254 S HN 1.015 nan 8.310 nan 0.000 0.508 255 M N 0.591 120.284 119.600 0.155 0.000 2.495 255 M HA 0.472 4.953 4.480 0.002 0.000 0.237 255 M C 0.035 176.485 176.300 0.251 0.000 1.131 255 M CA -0.298 55.097 55.300 0.157 0.000 1.032 255 M CB -0.911 31.722 32.600 0.055 0.000 1.513 255 M HN 0.409 nan 8.290 nan 0.000 0.488 256 I N -2.094 118.626 120.570 0.250 0.000 2.676 256 I HA 0.874 5.046 4.170 0.002 0.000 0.309 256 I C 0.834 177.024 176.117 0.120 0.000 0.990 256 I CA -0.532 60.928 61.300 0.266 0.000 1.168 256 I CB 1.392 39.508 38.000 0.195 0.000 1.343 256 I HN 0.023 nan 8.210 nan 0.000 0.482 257 A N 2.189 125.039 122.820 0.050 0.000 2.108 257 A HA 0.499 4.820 4.320 0.002 0.000 0.206 257 A C 0.875 178.438 177.584 -0.034 0.000 1.212 257 A CA 0.617 52.657 52.037 0.006 0.000 0.843 257 A CB -0.075 18.923 19.000 -0.004 0.000 0.902 257 A HN 0.759 nan 8.150 nan 0.000 0.477 258 T N -0.801 113.709 114.554 -0.073 0.000 2.942 258 T HA 0.512 4.863 4.350 0.002 0.000 0.327 258 T C -1.655 172.981 174.700 -0.108 0.000 1.360 258 T CA -0.282 61.768 62.100 -0.083 0.000 1.055 258 T CB 2.008 70.819 68.868 -0.095 0.000 1.261 258 T HN 0.059 nan 8.240 nan 0.000 0.485 259 V N 2.483 122.353 119.914 -0.074 0.000 2.447 259 V HA 0.739 4.860 4.120 0.002 0.000 0.292 259 V C -0.493 175.567 176.094 -0.056 0.000 1.021 259 V CA -0.611 61.648 62.300 -0.068 0.000 0.850 259 V CB 1.675 33.482 31.823 -0.028 0.000 1.005 259 V HN 0.873 nan 8.190 nan 0.000 0.426 260 S N 4.452 120.112 115.700 -0.066 0.000 2.561 260 S HA 0.544 5.015 4.470 0.002 0.000 0.303 260 S C 0.225 174.801 174.600 -0.040 0.000 1.110 260 S CA -0.541 57.629 58.200 -0.050 0.000 1.034 260 S CB 1.574 64.741 63.200 -0.056 0.000 1.010 260 S HN 0.485 nan 8.310 nan 0.000 0.482 261 L N 4.612 125.819 121.223 -0.026 0.000 2.551 261 L HA 0.129 4.470 4.340 0.002 0.000 0.228 261 L C 2.063 178.922 176.870 -0.019 0.000 1.153 261 L CA 1.595 56.424 54.840 -0.018 0.000 0.851 261 L CB -0.732 41.320 42.059 -0.012 0.000 0.959 261 L HN 0.877 nan 8.230 nan 0.000 0.451 262 S N -2.937 112.748 115.700 -0.024 0.000 2.891 262 S HA 0.080 4.552 4.470 0.002 0.000 0.247 262 S C 1.557 176.139 174.600 -0.030 0.000 1.063 262 S CA -0.270 57.916 58.200 -0.023 0.000 0.857 262 S CB -0.111 63.077 63.200 -0.020 0.000 0.800 262 S HN 0.210 nan 8.310 nan 0.000 0.540 263 E N 1.767 121.944 120.200 -0.039 0.000 2.502 263 E HA 0.441 4.792 4.350 0.002 0.000 0.194 263 E C 0.972 177.530 176.600 -0.070 0.000 1.062 263 E CA 0.487 56.857 56.400 -0.049 0.000 0.867 263 E CB 0.173 29.842 29.700 -0.052 0.000 0.888 263 E HN 0.735 nan 8.360 nan 0.000 0.510 264 G N 0.496 109.254 108.800 -0.070 0.000 2.741 264 G HA2 -0.254 3.707 3.960 0.002 0.000 0.222 264 G HA3 -0.254 3.707 3.960 0.002 0.000 0.222 264 G C 0.015 174.823 174.900 -0.154 0.000 1.364 264 G CA -0.313 44.729 45.100 -0.097 0.000 0.866 264 G HN 0.302 nan 8.290 nan 0.000 0.555 265 T N -2.271 112.134 114.554 -0.248 0.000 2.924 265 T HA 0.900 5.251 4.350 0.002 0.000 0.291 265 T C 0.428 174.702 174.700 -0.710 0.000 1.045 265 T CA 0.816 62.688 62.100 -0.379 0.000 1.015 265 T CB 1.952 70.624 68.868 -0.326 0.000 1.103 265 T HN 2.103 nan 8.240 nan 0.000 0.496 266 T N -0.255 113.899 114.554 -0.667 0.000 2.940 266 T HA 0.753 5.104 4.350 0.002 0.000 0.288 266 T C -0.981 173.296 174.700 -0.704 0.000 1.045 266 T CA -1.078 60.552 62.100 -0.782 0.000 1.018 266 T CB 1.072 69.731 68.868 -0.348 0.000 1.151 266 T HN 0.838 nan 8.240 nan 0.000 0.529 267 W N 0.090 121.387 121.300 -0.005 0.000 2.719 267 W HA 0.556 5.217 4.660 0.001 0.000 0.352 267 W C 0.316 176.834 176.519 -0.001 0.000 1.085 267 W CA -1.140 56.196 57.345 -0.015 0.000 1.187 267 W CB 1.173 30.607 29.460 -0.042 0.000 1.417 267 W HN 0.779 nan 8.180 nan 0.000 0.557 268 T N 0.053 114.767 114.554 0.267 0.000 2.771 268 T HA 0.288 4.639 4.350 0.002 0.000 0.290 268 T C -0.023 174.799 174.700 0.204 0.000 1.005 268 T CA -0.920 61.292 62.100 0.188 0.000 0.944 268 T CB 0.435 69.416 68.868 0.188 0.000 1.147 268 T HN 0.434 nan 8.240 nan 0.000 0.534 269 K N -0.341 120.210 120.400 0.253 0.000 2.090 269 K HA 0.707 5.028 4.320 0.002 0.000 0.249 269 K C -0.157 176.653 176.600 0.349 0.000 0.995 269 K CA -1.017 55.437 56.287 0.278 0.000 0.914 269 K CB 0.723 33.402 32.500 0.298 0.000 1.057 269 K HN 0.639 nan 8.250 nan 0.000 0.462 270 A N 1.806 124.760 122.820 0.223 0.000 2.406 270 A HA 0.218 4.539 4.320 0.002 0.000 0.243 270 A C -1.575 175.916 177.584 -0.156 0.000 1.082 270 A CA -1.313 50.817 52.037 0.156 0.000 0.786 270 A CB -0.277 18.895 19.000 0.286 0.000 1.029 270 A HN 0.841 nan 8.150 nan 0.000 0.495 271 P HA -0.050 nan 4.420 nan 0.000 0.230 271 P C 1.146 178.406 177.300 -0.067 0.000 1.168 271 P CA 0.599 63.565 63.100 -0.224 0.000 0.793 271 P CB -0.042 31.403 31.700 -0.425 0.000 0.851 272 W N 1.042 122.427 121.300 0.141 0.000 2.321 272 W HA -0.123 4.538 4.660 0.002 0.000 0.285 272 W C 2.137 178.685 176.519 0.049 0.000 1.213 272 W CA 0.679 58.092 57.345 0.113 0.000 1.205 272 W CB -1.452 28.065 29.460 0.096 0.000 1.134 272 W HN 0.108 nan 8.180 nan 0.000 0.549 273 R N 0.334 120.912 120.500 0.129 0.000 2.159 273 R HA -0.164 4.178 4.340 0.002 0.000 0.237 273 R C 1.001 177.050 176.300 -0.418 0.000 1.131 273 R CA 1.108 57.088 56.100 -0.200 0.000 0.982 273 R CB -0.583 29.434 30.300 -0.472 0.000 0.868 273 R HN 0.114 nan 8.270 nan 0.000 0.453 274 F N 0.389 120.391 119.950 0.085 0.000 2.668 274 F HA 0.249 4.777 4.527 0.001 0.000 0.297 274 F C -0.290 175.565 175.800 0.091 0.000 1.124 274 F CA -0.041 58.001 58.000 0.070 0.000 1.353 274 F CB 0.569 39.602 39.000 0.055 0.000 0.992 274 F HN -0.162 nan 8.300 nan 0.000 0.524 275 E N 0.968 121.295 120.200 0.212 0.000 3.132 275 E HA 0.498 4.849 4.350 0.002 0.000 0.241 275 E C -0.538 176.167 176.600 0.176 0.000 1.196 275 E CA -0.411 56.113 56.400 0.207 0.000 0.869 275 E CB 1.181 31.031 29.700 0.251 0.000 1.387 275 E HN 0.135 nan 8.360 nan 0.000 0.393 276 A N 1.758 124.646 122.820 0.114 0.000 2.354 276 A HA 0.775 5.096 4.320 0.002 0.000 0.269 276 A C 0.852 178.497 177.584 0.101 0.000 1.109 276 A CA 0.521 52.614 52.037 0.092 0.000 0.800 276 A CB 0.481 19.495 19.000 0.022 0.000 1.045 276 A HN 0.676 nan 8.150 nan 0.000 0.489 277 G N 0.600 109.473 108.800 0.120 0.000 2.829 277 G HA2 0.009 3.970 3.960 0.002 0.000 0.628 277 G HA3 0.009 3.970 3.960 0.002 0.000 0.628 277 G C -0.039 174.995 174.900 0.223 0.000 1.412 277 G CA -0.355 44.819 45.100 0.124 0.000 0.864 277 G HN 1.330 nan 8.290 nan 0.000 0.544 278 T N 3.457 118.150 114.554 0.231 0.000 2.902 278 T HA 0.434 4.786 4.350 0.002 0.000 0.301 278 T C -1.106 173.686 174.700 0.154 0.000 1.012 278 T CA 0.529 62.797 62.100 0.280 0.000 1.151 278 T CB 0.627 69.632 68.868 0.228 0.000 0.946 278 T HN 0.654 nan 8.240 nan 0.000 0.542 279 P HA 0.202 nan 4.420 nan 0.000 0.279 279 P C -0.023 177.290 177.300 0.023 0.000 1.282 279 P CA -0.705 62.411 63.100 0.026 0.000 0.788 279 P CB 0.454 32.123 31.700 -0.053 0.000 1.139 280 N N -0.420 118.259 118.700 -0.035 0.000 3.331 280 N HA 0.008 4.749 4.740 0.002 0.000 0.303 280 N C 0.292 175.751 175.510 -0.085 0.000 1.326 280 N CA -0.079 52.961 53.050 -0.018 0.000 1.207 280 N CB -0.143 38.326 38.487 -0.031 0.000 1.477 280 N HN 0.246 nan 8.380 nan 0.000 0.541 281 T N -0.418 114.114 114.554 -0.036 0.000 2.624 281 T HA -0.239 4.112 4.350 0.002 0.000 0.266 281 T C 1.915 176.440 174.700 -0.293 0.000 1.050 281 T CA 1.797 63.819 62.100 -0.131 0.000 1.163 281 T CB -0.750 68.187 68.868 0.116 0.000 0.861 281 T HN 0.556 nan 8.240 nan 0.000 0.443 282 G N 1.262 109.990 108.800 -0.119 0.000 2.491 282 G HA2 -0.084 3.878 3.960 0.002 0.000 0.218 282 G HA3 -0.084 3.878 3.960 0.002 0.000 0.218 282 G C 1.773 176.524 174.900 -0.249 0.000 1.180 282 G CA 1.046 45.961 45.100 -0.309 0.000 0.774 282 G HN 0.643 nan 8.290 nan 0.000 0.562 283 G N 0.925 109.649 108.800 -0.128 0.000 2.442 283 G HA2 -0.170 3.791 3.960 0.002 0.000 0.219 283 G HA3 -0.170 3.791 3.960 0.002 0.000 0.219 283 G C 1.680 176.476 174.900 -0.174 0.000 1.141 283 G CA 0.934 45.969 45.100 -0.108 0.000 0.763 283 G HN 0.357 nan 8.290 nan 0.000 0.554 284 I N 1.410 121.810 120.570 -0.283 0.000 2.179 284 I HA -0.127 4.044 4.170 0.002 0.000 0.242 284 I C 2.792 178.744 176.117 -0.276 0.000 1.088 284 I CA 0.905 61.988 61.300 -0.361 0.000 1.357 284 I CB -0.953 36.712 38.000 -0.559 0.000 1.051 284 I HN 0.094 nan 8.210 nan 0.000 0.409 285 I N 1.358 121.704 120.570 -0.373 0.000 2.163 285 I HA -0.210 3.961 4.170 0.002 0.000 0.243 285 I C 2.809 178.808 176.117 -0.196 0.000 1.085 285 I CA 1.823 62.913 61.300 -0.351 0.000 1.347 285 I CB -2.092 35.558 38.000 -0.583 0.000 1.044 285 I HN 0.204 nan 8.210 nan 0.000 0.408 286 G N 1.246 109.941 108.800 -0.174 0.000 2.459 286 G HA2 -0.279 3.683 3.960 0.002 0.000 0.217 286 G HA3 -0.279 3.683 3.960 0.002 0.000 0.217 286 G C 1.789 176.660 174.900 -0.049 0.000 1.183 286 G CA 0.889 45.935 45.100 -0.089 0.000 0.776 286 G HN 0.362 nan 8.290 nan 0.000 0.552 287 L N 1.658 122.854 121.223 -0.045 0.000 2.129 287 L HA 0.052 4.393 4.340 0.002 0.000 0.212 287 L C 2.732 179.596 176.870 -0.010 0.000 1.087 287 L CA 2.376 57.213 54.840 -0.005 0.000 0.757 287 L CB -0.833 41.243 42.059 0.027 0.000 0.896 287 L HN 0.178 nan 8.230 nan 0.000 0.434 288 G N -1.134 107.652 108.800 -0.024 0.000 2.433 288 G HA2 -0.260 3.701 3.960 0.002 0.000 0.216 288 G HA3 -0.260 3.701 3.960 0.002 0.000 0.216 288 G C 1.619 176.519 174.900 0.001 0.000 1.186 288 G CA 0.803 45.897 45.100 -0.009 0.000 0.779 288 G HN 0.631 nan 8.290 nan 0.000 0.543 289 A N 1.147 123.966 122.820 -0.002 0.000 1.940 289 A HA 0.198 4.519 4.320 0.002 0.000 0.219 289 A C 2.811 180.433 177.584 0.063 0.000 1.176 289 A CA 2.418 54.472 52.037 0.027 0.000 0.631 289 A CB -0.793 18.211 19.000 0.007 0.000 0.814 289 A HN 0.819 nan 8.150 nan 0.000 0.446 290 A N -0.580 122.263 122.820 0.039 0.000 1.877 290 A HA -0.017 4.304 4.320 0.002 0.000 0.216 290 A C 2.026 179.653 177.584 0.072 0.000 1.186 290 A CA 1.647 53.729 52.037 0.074 0.000 0.620 290 A CB -0.577 18.459 19.000 0.059 0.000 0.822 290 A HN 0.386 nan 8.150 nan 0.000 0.443 291 L N 0.013 121.210 121.223 -0.044 0.000 2.013 291 L HA -0.211 4.130 4.340 0.002 0.000 0.212 291 L C 2.410 179.290 176.870 0.016 0.000 1.073 291 L CA 2.470 57.206 54.840 -0.173 0.000 0.753 291 L CB -1.344 40.596 42.059 -0.199 0.000 0.890 291 L HN 0.685 nan 8.230 nan 0.000 0.432 292 E N -1.635 118.604 120.200 0.065 0.000 2.051 292 E HA -0.288 4.063 4.350 0.002 0.000 0.192 292 E C 2.326 179.001 176.600 0.125 0.000 0.991 292 E CA 1.283 57.739 56.400 0.093 0.000 0.799 292 E CB -0.314 29.431 29.700 0.074 0.000 0.748 292 E HN 0.428 nan 8.360 nan 0.000 0.449 293 Y N 0.735 121.051 120.300 0.026 0.000 2.070 293 Y HA -0.289 4.262 4.550 0.002 0.000 0.280 293 Y C 2.112 178.049 175.900 0.060 0.000 1.148 293 Y CA 1.991 60.106 58.100 0.024 0.000 1.125 293 Y CB -0.532 37.931 38.460 0.006 0.000 0.975 293 Y HN -0.068 nan 8.280 nan 0.000 0.492 294 V N 0.296 120.431 119.914 0.370 0.000 2.287 294 V HA -0.349 3.772 4.120 0.002 0.000 0.248 294 V C 2.578 178.797 176.094 0.209 0.000 1.053 294 V CA 2.328 64.814 62.300 0.311 0.000 1.027 294 V CB -1.343 30.698 31.823 0.362 0.000 0.646 294 V HN 0.660 nan 8.190 nan 0.000 0.447 295 S N 1.027 116.865 115.700 0.230 0.000 2.419 295 S HA -0.163 4.309 4.470 0.002 0.000 0.235 295 S C 2.049 176.699 174.600 0.085 0.000 1.019 295 S CA 1.322 59.640 58.200 0.196 0.000 0.982 295 S CB -0.570 62.767 63.200 0.229 0.000 0.789 295 S HN 0.602 nan 8.310 nan 0.000 0.490 296 A N 2.224 125.060 122.820 0.026 0.000 1.873 296 A HA 0.169 4.490 4.320 0.002 0.000 0.215 296 A C 2.286 179.839 177.584 -0.051 0.000 1.186 296 A CA 1.354 53.365 52.037 -0.043 0.000 0.616 296 A CB -0.815 18.108 19.000 -0.127 0.000 0.823 296 A HN 0.536 nan 8.150 nan 0.000 0.442 297 L N -1.090 120.096 121.223 -0.062 0.000 2.201 297 L HA 0.146 4.488 4.340 0.002 0.000 0.212 297 L C 1.234 178.154 176.870 0.084 0.000 1.105 297 L CA 0.574 55.418 54.840 0.006 0.000 0.775 297 L CB -0.847 41.253 42.059 0.067 0.000 0.913 297 L HN 0.617 nan 8.230 nan 0.000 0.440 298 G N 0.015 108.861 108.800 0.077 0.000 3.391 298 G HA2 -0.169 3.792 3.960 0.002 0.000 0.683 298 G HA3 -0.169 3.792 3.960 0.002 0.000 0.683 298 G C 0.168 175.114 174.900 0.075 0.000 1.071 298 G CA -0.728 44.412 45.100 0.068 0.000 0.904 298 G HN -0.086 nan 8.290 nan 0.000 0.452 299 L N 1.664 122.921 121.223 0.058 0.000 2.187 299 L HA -0.076 4.265 4.340 0.002 0.000 0.213 299 L C 2.513 179.403 176.870 0.033 0.000 1.100 299 L CA 2.061 56.931 54.840 0.049 0.000 0.765 299 L CB -0.743 41.311 42.059 -0.010 0.000 0.904 299 L HN 0.691 nan 8.230 nan 0.000 0.437 300 N N -0.097 118.614 118.700 0.019 0.000 2.270 300 N HA -0.118 4.623 4.740 0.002 0.000 0.181 300 N C 1.476 176.988 175.510 0.004 0.000 1.016 300 N CA 0.730 53.786 53.050 0.010 0.000 0.870 300 N CB -0.085 38.403 38.487 0.002 0.000 0.979 300 N HN 0.382 nan 8.380 nan 0.000 0.431 301 N N 1.070 119.782 118.700 0.021 0.000 2.173 301 N HA 0.067 4.808 4.740 0.002 0.000 0.184 301 N C 1.876 177.318 175.510 -0.114 0.000 1.025 301 N CA 0.428 53.492 53.050 0.023 0.000 0.852 301 N CB -0.312 38.252 38.487 0.129 0.000 0.998 301 N HN 0.243 nan 8.380 nan 0.000 0.427 302 I N 1.009 121.509 120.570 -0.115 0.000 2.335 302 I HA -0.251 3.921 4.170 0.002 0.000 0.251 302 I C 2.155 178.171 176.117 -0.169 0.000 1.129 302 I CA 0.927 62.068 61.300 -0.265 0.000 1.402 302 I CB -0.360 37.630 38.000 -0.017 0.000 1.069 302 I HN 0.084 nan 8.210 nan 0.000 0.424 303 A N 0.616 123.396 122.820 -0.066 0.000 1.855 303 A HA -0.203 4.118 4.320 0.002 0.000 0.215 303 A C 2.257 179.782 177.584 -0.098 0.000 1.191 303 A CA 1.486 53.497 52.037 -0.042 0.000 0.613 303 A CB -0.566 18.437 19.000 0.005 0.000 0.829 303 A HN 0.387 nan 8.150 nan 0.000 0.442 304 E N -1.520 118.631 120.200 -0.082 0.000 2.038 304 E HA -0.249 4.102 4.350 0.002 0.000 0.195 304 E C 1.946 178.491 176.600 -0.091 0.000 1.000 304 E CA 1.757 58.115 56.400 -0.070 0.000 0.803 304 E CB -0.376 29.313 29.700 -0.018 0.000 0.750 304 E HN 0.758 nan 8.360 nan 0.000 0.448 305 Y N 1.901 122.041 120.300 -0.266 0.000 2.114 305 Y HA -0.206 4.345 4.550 0.002 0.000 0.284 305 Y C 2.019 177.783 175.900 -0.227 0.000 1.143 305 Y CA 1.823 59.756 58.100 -0.277 0.000 1.135 305 Y CB -0.183 37.899 38.460 -0.630 0.000 0.980 305 Y HN -0.004 nan 8.280 nan 0.000 0.499 306 E N -0.262 119.725 120.200 -0.355 0.000 2.118 306 E HA -0.340 4.011 4.350 0.002 0.000 0.195 306 E C 2.206 178.577 176.600 -0.382 0.000 0.992 306 E CA 1.451 57.630 56.400 -0.369 0.000 0.804 306 E CB -0.186 29.404 29.700 -0.184 0.000 0.741 306 E HN 0.665 nan 8.360 nan 0.000 0.458 307 Q N 1.020 120.616 119.800 -0.339 0.000 2.046 307 Q HA -0.203 4.139 4.340 0.002 0.000 0.200 307 Q C 2.095 177.798 176.000 -0.495 0.000 0.975 307 Q CA 1.651 57.192 55.803 -0.436 0.000 0.836 307 Q CB -0.118 28.405 28.738 -0.357 0.000 0.896 307 Q HN 0.186 nan 8.270 nan 0.000 0.428 308 N N 0.023 118.525 118.700 -0.329 0.000 2.058 308 N HA -0.206 4.535 4.740 0.002 0.000 0.191 308 N C 2.001 177.390 175.510 -0.202 0.000 1.037 308 N CA 1.477 54.416 53.050 -0.185 0.000 0.848 308 N CB -0.185 38.251 38.487 -0.085 0.000 1.021 308 N HN 0.361 nan 8.380 nan 0.000 0.422 309 L N 1.161 122.129 121.223 -0.425 0.000 2.081 309 L HA -0.143 4.198 4.340 0.002 0.000 0.212 309 L C 2.591 179.313 176.870 -0.247 0.000 1.080 309 L CA 1.592 56.127 54.840 -0.509 0.000 0.754 309 L CB -0.693 40.970 42.059 -0.659 0.000 0.893 309 L HN 0.326 nan 8.230 nan 0.000 0.433 310 M N -0.922 118.535 119.600 -0.237 0.000 2.077 310 M HA -0.183 4.298 4.480 0.002 0.000 0.261 310 M C 2.149 178.455 176.300 0.010 0.000 1.070 310 M CA 1.911 57.129 55.300 -0.136 0.000 1.125 310 M CB -0.780 31.704 32.600 -0.194 0.000 1.339 310 M HN 0.389 nan 8.290 nan 0.000 0.409 311 H N -2.138 116.898 119.070 -0.057 0.000 2.560 311 H HA -0.149 4.408 4.556 0.002 0.000 0.283 311 H C 1.278 176.616 175.328 0.016 0.000 1.028 311 H CA 1.155 57.188 56.048 -0.026 0.000 1.221 311 H CB -0.037 29.717 29.762 -0.014 0.000 1.363 311 H HN 0.611 nan 8.280 nan 0.000 0.594 312 Y N 0.167 120.468 120.300 0.002 0.000 2.396 312 Y HA 0.194 4.745 4.550 0.002 0.000 0.292 312 Y C 2.366 178.232 175.900 -0.057 0.000 1.128 312 Y CA 0.638 58.727 58.100 -0.018 0.000 1.194 312 Y CB -0.134 38.295 38.460 -0.052 0.000 1.124 312 Y HN 0.062 nan 8.280 nan 0.000 0.543 313 A N 1.015 123.780 122.820 -0.091 0.000 1.933 313 A HA -0.113 4.208 4.320 0.002 0.000 0.218 313 A C 2.149 179.617 177.584 -0.194 0.000 1.175 313 A CA 1.766 53.698 52.037 -0.174 0.000 0.628 313 A CB -1.088 17.872 19.000 -0.067 0.000 0.814 313 A HN 0.557 nan 8.150 nan 0.000 0.444 314 L N -0.763 120.389 121.223 -0.119 0.000 2.141 314 L HA -0.126 4.215 4.340 0.002 0.000 0.209 314 L C 2.812 179.594 176.870 -0.146 0.000 1.094 314 L CA 1.237 56.013 54.840 -0.108 0.000 0.763 314 L CB -0.391 41.639 42.059 -0.049 0.000 0.908 314 L HN 0.337 nan 8.230 nan 0.000 0.437 315 S N -0.737 114.859 115.700 -0.174 0.000 2.345 315 S HA -0.159 4.312 4.470 0.002 0.000 0.220 315 S C 1.949 176.413 174.600 -0.226 0.000 1.031 315 S CA 1.009 59.101 58.200 -0.180 0.000 0.996 315 S CB -0.063 63.039 63.200 -0.164 0.000 0.882 315 S HN 0.412 nan 8.310 nan 0.000 0.445 316 Q N 0.585 120.175 119.800 -0.350 0.000 2.119 316 Q HA 0.065 4.406 4.340 0.002 0.000 0.201 316 Q C 1.935 177.799 176.000 -0.226 0.000 0.972 316 Q CA 0.671 56.287 55.803 -0.312 0.000 0.847 316 Q CB -0.764 27.716 28.738 -0.431 0.000 0.903 316 Q HN 0.333 nan 8.270 nan 0.000 0.433 317 L N 1.553 122.638 121.223 -0.229 0.000 2.551 317 L HA -0.133 4.208 4.340 0.002 0.000 0.230 317 L C 1.853 178.610 176.870 -0.189 0.000 1.163 317 L CA 1.385 56.094 54.840 -0.217 0.000 0.826 317 L CB -0.557 41.369 42.059 -0.221 0.000 0.943 317 L HN 0.258 nan 8.230 nan 0.000 0.452 318 E N -1.534 118.569 120.200 -0.162 0.000 2.170 318 E HA -0.112 4.239 4.350 0.002 0.000 0.191 318 E C 2.150 178.675 176.600 -0.126 0.000 0.981 318 E CA 0.871 57.190 56.400 -0.135 0.000 0.830 318 E CB 0.158 29.789 29.700 -0.115 0.000 0.775 318 E HN 0.581 nan 8.360 nan 0.000 0.470 319 S N 0.092 115.717 115.700 -0.126 0.000 2.469 319 S HA -0.051 4.420 4.470 0.002 0.000 0.238 319 S C 0.940 175.469 174.600 -0.120 0.000 0.998 319 S CA 0.089 58.225 58.200 -0.106 0.000 0.957 319 S CB -0.253 62.891 63.200 -0.094 0.000 0.764 319 S HN -0.076 nan 8.310 nan 0.000 0.514 320 V N 4.546 124.369 119.914 -0.151 0.000 2.455 320 V HA 0.376 4.497 4.120 0.002 0.000 0.273 320 V C -2.038 173.924 176.094 -0.220 0.000 1.045 320 V CA -1.946 60.242 62.300 -0.186 0.000 0.976 320 V CB 0.357 32.055 31.823 -0.208 0.000 0.993 320 V HN 0.332 nan 8.190 nan 0.000 0.475 321 P HA 0.381 nan 4.420 nan 0.000 0.282 321 P C -0.262 176.797 177.300 -0.400 0.000 1.249 321 P CA -0.102 62.803 63.100 -0.325 0.000 0.806 321 P CB 1.005 32.520 31.700 -0.309 0.000 0.984 322 D N -1.470 118.810 120.400 -0.200 0.000 3.046 322 D HA -0.170 4.471 4.640 0.002 0.000 0.210 322 D C -0.041 176.210 176.300 -0.080 0.000 1.124 322 D CA 0.812 54.751 54.000 -0.102 0.000 0.986 322 D CB -1.495 39.289 40.800 -0.026 0.000 1.118 322 D HN 0.276 nan 8.370 nan 0.000 0.416 323 L N 1.295 122.445 121.223 -0.122 0.000 2.313 323 L HA 0.330 4.671 4.340 0.002 0.000 0.282 323 L C 0.110 176.916 176.870 -0.107 0.000 1.092 323 L CA 0.533 55.315 54.840 -0.096 0.000 0.831 323 L CB 0.928 42.891 42.059 -0.161 0.000 1.159 323 L HN -0.043 nan 8.230 nan 0.000 0.442 324 T N 5.760 120.251 114.554 -0.105 0.000 2.772 324 T HA 0.514 4.865 4.350 0.002 0.000 0.288 324 T C -0.077 174.338 174.700 -0.476 0.000 0.994 324 T CA -0.524 61.421 62.100 -0.259 0.000 0.951 324 T CB 0.621 69.338 68.868 -0.252 0.000 0.933 324 T HN 0.362 nan 8.240 nan 0.000 0.447 325 L N 3.170 124.132 121.223 -0.435 0.000 2.360 325 L HA 0.573 4.914 4.340 0.002 0.000 0.271 325 L C -0.843 175.660 176.870 -0.612 0.000 1.057 325 L CA -1.149 53.449 54.840 -0.403 0.000 0.803 325 L CB 0.896 42.858 42.059 -0.160 0.000 1.207 325 L HN 0.646 nan 8.230 nan 0.000 0.445 326 Y N 0.443 120.684 120.300 -0.097 0.000 2.376 326 Y HA 0.722 5.273 4.550 0.002 0.000 0.340 326 Y C 0.663 176.495 175.900 -0.114 0.000 0.965 326 Y CA -0.551 57.414 58.100 -0.224 0.000 1.078 326 Y CB 2.074 40.251 38.460 -0.472 0.000 1.193 326 Y HN 0.749 nan 8.280 nan 0.000 0.452 327 G N 2.839 111.702 108.800 0.104 0.000 2.525 327 G HA2 -0.035 3.926 3.960 0.002 0.000 0.685 327 G HA3 -0.035 3.926 3.960 0.002 0.000 0.685 327 G C -3.248 171.697 174.900 0.075 0.000 1.290 327 G CA -1.424 43.741 45.100 0.107 0.000 0.915 327 G HN 0.460 nan 8.290 nan 0.000 0.548 328 P HA 0.345 nan 4.420 nan 0.000 0.275 328 P C 0.314 177.627 177.300 0.023 0.000 1.266 328 P CA -0.099 63.026 63.100 0.042 0.000 0.793 328 P CB 0.987 32.712 31.700 0.042 0.000 1.074 329 Q N 0.163 119.968 119.800 0.009 0.000 2.311 329 Q HA 0.113 4.454 4.340 0.002 0.000 0.203 329 Q C 1.045 177.055 176.000 0.016 0.000 0.954 329 Q CA 0.811 56.610 55.803 -0.007 0.000 0.885 329 Q CB -0.653 28.063 28.738 -0.036 0.000 0.963 329 Q HN 0.558 nan 8.270 nan 0.000 0.471 330 A N 1.378 124.214 122.820 0.027 0.000 3.245 330 A HA 0.271 4.593 4.320 0.002 0.000 0.282 330 A C -0.248 177.358 177.584 0.037 0.000 1.417 330 A CA -0.638 51.430 52.037 0.052 0.000 1.149 330 A CB -0.521 18.501 19.000 0.037 0.000 1.155 330 A HN 0.286 nan 8.150 nan 0.000 0.602 331 R N -0.424 120.093 120.500 0.028 0.000 2.546 331 R HA 0.739 5.080 4.340 0.002 0.000 0.266 331 R C -1.254 175.020 176.300 -0.045 0.000 1.086 331 R CA -0.682 55.418 56.100 0.001 0.000 1.160 331 R CB 0.654 30.954 30.300 -0.001 0.000 1.138 331 R HN 0.197 nan 8.270 nan 0.000 0.567 332 L N 0.814 121.990 121.223 -0.078 0.000 2.343 332 L HA 0.335 4.676 4.340 0.002 0.000 0.278 332 L C 0.796 177.476 176.870 -0.317 0.000 0.996 332 L CA 0.586 55.309 54.840 -0.194 0.000 0.831 332 L CB 1.864 43.849 42.059 -0.124 0.000 1.232 332 L HN 1.018 nan 8.230 nan 0.000 0.413 333 G N 3.126 111.664 108.800 -0.437 0.000 2.327 333 G HA2 -0.238 3.723 3.960 0.002 0.000 0.297 333 G HA3 -0.238 3.723 3.960 0.002 0.000 0.297 333 G C 0.114 174.923 174.900 -0.153 0.000 0.994 333 G CA 0.906 45.781 45.100 -0.375 0.000 0.735 333 G HN 0.488 nan 8.290 nan 0.000 0.518 334 V N 0.074 119.924 119.914 -0.107 0.000 2.808 334 V HA 0.667 4.788 4.120 0.002 0.000 0.308 334 V C -0.410 175.671 176.094 -0.022 0.000 1.099 334 V CA -0.854 61.416 62.300 -0.051 0.000 0.920 334 V CB 2.206 34.003 31.823 -0.044 0.000 1.014 334 V HN 0.220 nan 8.190 nan 0.000 0.425 335 I N 4.236 124.815 120.570 0.015 0.000 2.468 335 I HA 0.640 4.811 4.170 0.002 0.000 0.284 335 I C 0.064 176.252 176.117 0.119 0.000 1.038 335 I CA -0.535 60.815 61.300 0.083 0.000 1.083 335 I CB 1.866 39.944 38.000 0.130 0.000 1.223 335 I HN 0.658 nan 8.210 nan 0.000 0.443 336 A N 7.448 130.317 122.820 0.082 0.000 2.260 336 A HA 0.850 5.171 4.320 0.002 0.000 0.314 336 A C -0.732 176.993 177.584 0.235 0.000 1.257 336 A CA -0.214 51.848 52.037 0.042 0.000 0.871 336 A CB 0.186 19.192 19.000 0.010 0.000 1.166 336 A HN 0.651 nan 8.150 nan 0.000 0.522 337 F N 0.717 120.760 119.950 0.155 0.000 2.824 337 F HA 0.826 5.355 4.527 0.002 0.000 0.330 337 F C -0.790 175.133 175.800 0.205 0.000 1.175 337 F CA -1.436 56.608 58.000 0.073 0.000 0.974 337 F CB 1.361 40.346 39.000 -0.025 0.000 1.430 337 F HN 0.359 nan 8.300 nan 0.000 0.507 338 N N 0.531 119.479 118.700 0.413 0.000 2.446 338 N HA 0.328 5.069 4.740 0.002 0.000 0.272 338 N C -2.188 173.505 175.510 0.306 0.000 1.127 338 N CA -0.465 52.786 53.050 0.334 0.000 0.896 338 N CB 2.932 41.616 38.487 0.328 0.000 1.658 338 N HN 0.781 nan 8.380 nan 0.000 0.483 339 L N 2.864 124.271 121.223 0.308 0.000 2.270 339 L HA 0.334 4.675 4.340 0.002 0.000 0.286 339 L C 1.507 178.515 176.870 0.231 0.000 1.059 339 L CA 0.411 55.412 54.840 0.269 0.000 0.839 339 L CB -0.167 42.088 42.059 0.327 0.000 1.221 339 L HN 0.918 nan 8.230 nan 0.000 0.431 340 G N 4.171 113.038 108.800 0.111 0.000 2.685 340 G HA2 -0.425 3.536 3.960 0.002 0.000 0.329 340 G HA3 -0.425 3.536 3.960 0.002 0.000 0.329 340 G C 0.661 175.525 174.900 -0.060 0.000 1.271 340 G CA 0.645 45.748 45.100 0.005 0.000 1.003 340 G HN 0.841 nan 8.290 nan 0.000 0.549 341 A N -0.288 122.381 122.820 -0.251 0.000 2.390 341 A HA 0.557 4.878 4.320 0.002 0.000 0.232 341 A C 0.682 178.167 177.584 -0.165 0.000 1.233 341 A CA 0.792 52.716 52.037 -0.188 0.000 0.907 341 A CB -0.034 18.855 19.000 -0.184 0.000 0.967 341 A HN 0.763 nan 8.150 nan 0.000 0.512 342 H N -0.109 119.011 119.070 0.084 0.000 2.764 342 H HA 0.205 4.762 4.556 0.002 0.000 0.341 342 H C 0.268 175.689 175.328 0.155 0.000 1.072 342 H CA 0.079 56.188 56.048 0.102 0.000 1.444 342 H CB 0.223 30.041 29.762 0.094 0.000 1.458 342 H HN 0.503 nan 8.280 nan 0.000 0.572 343 H N 1.506 120.654 119.070 0.130 0.000 2.815 343 H HA 0.112 4.669 4.556 0.002 0.000 0.350 343 H C 0.893 176.287 175.328 0.109 0.000 1.080 343 H CA -0.170 55.899 56.048 0.035 0.000 1.433 343 H CB 0.884 30.590 29.762 -0.093 0.000 1.432 343 H HN 0.921 nan 8.280 nan 0.000 0.592 344 A N 4.900 127.766 122.820 0.076 0.000 2.032 344 A HA -0.252 4.070 4.320 0.002 0.000 0.221 344 A C 1.614 179.235 177.584 0.061 0.000 1.165 344 A CA 1.283 53.344 52.037 0.040 0.000 0.645 344 A CB -0.646 18.361 19.000 0.011 0.000 0.807 344 A HN 0.769 nan 8.150 nan 0.000 0.453 345 Y N 0.797 120.860 120.300 -0.395 0.000 2.070 345 Y HA -0.214 4.337 4.550 0.002 0.000 0.280 345 Y C 2.363 178.226 175.900 -0.062 0.000 1.148 345 Y CA 1.136 59.081 58.100 -0.258 0.000 1.125 345 Y CB -0.979 37.302 38.460 -0.298 0.000 0.975 345 Y HN 0.387 nan 8.280 nan 0.000 0.492 346 D N -0.627 119.902 120.400 0.215 0.000 2.097 346 D HA -0.127 4.514 4.640 0.002 0.000 0.197 346 D C 2.471 178.937 176.300 0.276 0.000 0.984 346 D CA 1.255 55.399 54.000 0.239 0.000 0.826 346 D CB -0.535 40.421 40.800 0.259 0.000 0.973 346 D HN 0.160 nan 8.370 nan 0.000 0.460 347 V N 1.365 121.405 119.914 0.210 0.000 2.255 347 V HA -0.192 3.929 4.120 0.002 0.000 0.247 347 V C 2.595 178.803 176.094 0.191 0.000 1.051 347 V CA 2.206 64.621 62.300 0.191 0.000 1.018 347 V CB -1.007 30.941 31.823 0.209 0.000 0.641 347 V HN 0.260 nan 8.190 nan 0.000 0.445 348 G N -1.098 107.785 108.800 0.138 0.000 2.432 348 G HA2 -0.280 3.681 3.960 0.002 0.000 0.219 348 G HA3 -0.280 3.681 3.960 0.002 0.000 0.219 348 G C 1.902 176.831 174.900 0.050 0.000 1.135 348 G CA 1.271 46.425 45.100 0.089 0.000 0.767 348 G HN 0.564 nan 8.290 nan 0.000 0.550 349 S N -0.522 115.202 115.700 0.041 0.000 2.402 349 S HA 0.011 4.482 4.470 0.002 0.000 0.229 349 S C 2.067 176.594 174.600 -0.121 0.000 1.021 349 S CA 0.804 58.976 58.200 -0.047 0.000 0.974 349 S CB -0.401 62.763 63.200 -0.060 0.000 0.800 349 S HN 0.263 nan 8.310 nan 0.000 0.484 350 F N 1.300 121.165 119.950 -0.142 0.000 2.163 350 F HA 0.193 4.721 4.527 0.002 0.000 0.297 350 F C 2.050 177.579 175.800 -0.452 0.000 1.094 350 F CA 1.051 58.869 58.000 -0.303 0.000 1.290 350 F CB -0.281 38.560 39.000 -0.264 0.000 1.017 350 F HN 0.174 nan 8.300 nan 0.000 0.483 351 L N -0.215 120.998 121.223 -0.016 0.000 2.127 351 L HA -0.257 4.084 4.340 0.002 0.000 0.211 351 L C 1.974 178.858 176.870 0.025 0.000 1.089 351 L CA 1.684 56.545 54.840 0.035 0.000 0.757 351 L CB -0.637 41.508 42.059 0.145 0.000 0.899 351 L HN 0.102 nan 8.230 nan 0.000 0.434 352 D N -0.118 120.271 120.400 -0.019 0.000 2.117 352 D HA -0.226 4.415 4.640 0.002 0.000 0.197 352 D C 1.954 178.243 176.300 -0.018 0.000 0.987 352 D CA 1.121 55.119 54.000 -0.004 0.000 0.829 352 D CB -0.028 40.754 40.800 -0.031 0.000 0.961 352 D HN 0.116 nan 8.370 nan 0.000 0.460 353 N N -1.194 117.429 118.700 -0.128 0.000 2.348 353 N HA -0.151 4.590 4.740 0.002 0.000 0.185 353 N C 0.862 176.435 175.510 0.105 0.000 1.019 353 N CA 0.963 53.950 53.050 -0.106 0.000 0.880 353 N CB -0.185 38.132 38.487 -0.283 0.000 0.965 353 N HN 0.443 nan 8.380 nan 0.000 0.437 354 Y N -1.747 118.592 120.300 0.064 0.000 2.466 354 Y HA 0.211 4.762 4.550 0.002 0.000 0.272 354 Y C 1.504 177.443 175.900 0.064 0.000 1.169 354 Y CA -0.256 57.887 58.100 0.072 0.000 1.285 354 Y CB 0.476 38.992 38.460 0.094 0.000 1.078 354 Y HN 0.120 nan 8.280 nan 0.000 0.523 355 G N 1.322 110.239 108.800 0.196 0.000 2.132 355 G HA2 -0.232 3.729 3.960 0.002 0.000 0.228 355 G HA3 -0.232 3.729 3.960 0.002 0.000 0.228 355 G C -0.277 174.709 174.900 0.143 0.000 1.000 355 G CA -0.253 44.932 45.100 0.141 0.000 0.693 355 G HN 0.178 nan 8.290 nan 0.000 0.515 356 I N 0.634 121.295 120.570 0.152 0.000 2.377 356 I HA 0.654 4.825 4.170 0.002 0.000 0.293 356 I C 0.620 176.805 176.117 0.112 0.000 0.987 356 I CA -0.804 60.581 61.300 0.141 0.000 1.185 356 I CB 1.546 39.643 38.000 0.162 0.000 1.341 356 I HN 0.305 nan 8.210 nan 0.000 0.455 357 A N 6.901 129.783 122.820 0.103 0.000 2.366 357 A HA 0.627 4.948 4.320 0.002 0.000 0.322 357 A C -0.406 177.173 177.584 -0.009 0.000 1.397 357 A CA -0.376 51.697 52.037 0.061 0.000 0.984 357 A CB 0.487 19.556 19.000 0.115 0.000 1.149 357 A HN 0.497 nan 8.150 nan 0.000 0.540 358 V N 2.557 122.483 119.914 0.021 0.000 2.914 358 V HA 0.568 4.689 4.120 0.002 0.000 0.314 358 V C 0.016 176.116 176.094 0.010 0.000 1.084 358 V CA -0.841 61.474 62.300 0.025 0.000 0.963 358 V CB 2.196 34.079 31.823 0.101 0.000 1.025 358 V HN 0.986 nan 8.190 nan 0.000 0.432 359 R N 2.016 122.531 120.500 0.025 0.000 2.312 359 R HA 0.669 5.010 4.340 0.002 0.000 0.311 359 R C -0.378 175.995 176.300 0.122 0.000 1.004 359 R CA 0.048 56.190 56.100 0.070 0.000 0.902 359 R CB 1.418 31.808 30.300 0.150 0.000 1.073 359 R HN 0.925 nan 8.270 nan 0.000 0.457 360 T N 0.757 115.297 114.554 -0.024 0.000 2.893 360 T HA 0.881 5.232 4.350 0.002 0.000 0.291 360 T C 0.222 174.750 174.700 -0.286 0.000 1.028 360 T CA 0.014 62.064 62.100 -0.082 0.000 0.995 360 T CB 1.897 70.731 68.868 -0.056 0.000 1.051 360 T HN 0.886 nan 8.240 nan 0.000 0.470 361 G N 1.691 110.318 108.800 -0.288 0.000 2.250 361 G HA2 0.026 3.987 3.960 0.002 0.000 0.252 361 G HA3 0.026 3.987 3.960 0.002 0.000 0.252 361 G C 0.175 174.844 174.900 -0.385 0.000 1.325 361 G CA 0.009 44.914 45.100 -0.324 0.000 1.091 361 G HN 1.317 nan 8.290 nan 0.000 0.476 362 H N -0.742 118.172 119.070 -0.261 0.000 2.586 362 H HA 0.273 4.831 4.556 0.002 0.000 0.273 362 H C 0.611 175.879 175.328 -0.100 0.000 0.997 362 H CA 0.394 56.378 56.048 -0.107 0.000 1.177 362 H CB -0.128 29.627 29.762 -0.012 0.000 1.471 362 H HN 0.719 nan 8.280 nan 0.000 0.538 363 H N 0.074 119.273 119.070 0.215 0.000 2.557 363 H HA -0.168 4.389 4.556 0.002 0.000 0.319 363 H C 0.314 175.576 175.328 -0.110 0.000 1.102 363 H CA 0.753 56.846 56.048 0.074 0.000 1.126 363 H CB -2.357 27.415 29.762 0.016 0.000 1.498 363 H HN 0.645 nan 8.280 nan 0.000 0.411 364 C N -0.973 118.255 119.300 -0.120 0.000 4.114 364 C HA -0.113 4.349 4.460 0.002 0.000 0.300 364 C C 1.456 175.571 174.990 -1.457 0.000 1.423 364 C CA 1.125 59.635 59.018 -0.847 0.000 2.034 364 C CB -2.095 25.219 27.740 -0.710 0.000 1.299 364 C HN 0.962 nan 8.230 nan 0.000 0.727 365 A N -1.314 120.959 122.820 -0.913 0.000 3.106 365 A HA 0.521 4.842 4.320 0.002 0.000 0.227 365 A C 0.971 178.448 177.584 -0.180 0.000 0.920 365 A CA -0.030 51.705 52.037 -0.504 0.000 1.088 365 A CB 0.065 18.953 19.000 -0.186 0.000 1.233 365 A HN 0.434 nan 8.150 nan 0.000 0.503 366 M N 0.167 119.715 119.600 -0.088 0.000 2.089 366 M HA -0.157 4.324 4.480 0.002 0.000 0.257 366 M C -0.617 175.734 176.300 0.084 0.000 1.071 366 M CA 2.382 57.715 55.300 0.056 0.000 1.096 366 M CB -1.446 31.203 32.600 0.082 0.000 1.330 366 M HN 0.285 nan 8.290 nan 0.000 0.403 367 P HA -0.180 nan 4.420 nan 0.000 0.215 367 P C 1.581 178.921 177.300 0.067 0.000 1.157 367 P CA 1.102 64.241 63.100 0.064 0.000 0.874 367 P CB -0.265 31.467 31.700 0.055 0.000 0.790 368 L N -1.664 119.595 121.223 0.059 0.000 2.083 368 L HA -0.148 4.193 4.340 0.002 0.000 0.209 368 L C 2.117 179.099 176.870 0.187 0.000 1.083 368 L CA 2.041 56.935 54.840 0.090 0.000 0.752 368 L CB -1.198 40.910 42.059 0.082 0.000 0.899 368 L HN -0.124 nan 8.230 nan 0.000 0.433 369 M N -0.454 119.234 119.600 0.147 0.000 2.086 369 M HA -0.126 4.355 4.480 0.002 0.000 0.261 369 M C 2.455 178.837 176.300 0.135 0.000 1.067 369 M CA 1.757 57.146 55.300 0.149 0.000 1.116 369 M CB -1.615 31.055 32.600 0.115 0.000 1.348 369 M HN 0.443 nan 8.290 nan 0.000 0.407 370 A N -0.389 122.491 122.820 0.100 0.000 1.986 370 A HA -0.243 4.078 4.320 0.002 0.000 0.220 370 A C 2.124 179.738 177.584 0.049 0.000 1.171 370 A CA 1.717 53.792 52.037 0.064 0.000 0.640 370 A CB -1.260 17.771 19.000 0.053 0.000 0.811 370 A HN 0.592 nan 8.150 nan 0.000 0.451 371 Y N -1.276 118.979 120.300 -0.074 0.000 2.242 371 Y HA -0.183 4.368 4.550 0.002 0.000 0.291 371 Y C 1.619 177.375 175.900 -0.239 0.000 1.137 371 Y CA 1.736 59.720 58.100 -0.192 0.000 1.181 371 Y CB -0.278 37.992 38.460 -0.317 0.000 0.989 371 Y HN 0.376 nan 8.280 nan 0.000 0.527 372 Y N 0.629 120.924 120.300 -0.009 0.000 2.470 372 Y HA 0.100 4.651 4.550 0.002 0.000 0.284 372 Y C 0.907 176.755 175.900 -0.087 0.000 1.188 372 Y CA 0.273 58.319 58.100 -0.089 0.000 1.269 372 Y CB -0.506 37.915 38.460 -0.065 0.000 1.094 372 Y HN 0.182 nan 8.280 nan 0.000 0.518 373 N N -0.069 118.641 118.700 0.016 0.000 2.678 373 N HA -0.190 4.552 4.740 0.002 0.000 0.249 373 N C -1.375 174.151 175.510 0.027 0.000 1.119 373 N CA 0.594 53.647 53.050 0.004 0.000 0.718 373 N CB -0.811 37.663 38.487 -0.023 0.000 1.060 373 N HN 0.008 nan 8.380 nan 0.000 0.552 374 V N 0.473 120.413 119.914 0.043 0.000 2.513 374 V HA 0.351 4.472 4.120 0.002 0.000 0.299 374 V C -1.128 174.977 176.094 0.019 0.000 1.035 374 V CA -1.116 61.194 62.300 0.018 0.000 0.889 374 V CB 1.836 33.641 31.823 -0.030 0.000 0.988 374 V HN -0.016 nan 8.190 nan 0.000 0.440 375 P HA 0.139 nan 4.420 nan 0.000 0.225 375 P C 0.096 177.446 177.300 0.084 0.000 1.156 375 P CA 0.905 64.015 63.100 0.015 0.000 0.787 375 P CB 0.658 32.304 31.700 -0.090 0.000 0.802 376 A N -1.209 121.667 122.820 0.094 0.000 2.550 376 A HA 0.636 4.957 4.320 0.002 0.000 0.295 376 A C -0.993 176.641 177.584 0.082 0.000 1.001 376 A CA -0.726 51.371 52.037 0.100 0.000 0.660 376 A CB 0.310 19.377 19.000 0.111 0.000 1.308 376 A HN -0.018 nan 8.150 nan 0.000 0.426 377 M N -0.252 119.401 119.600 0.088 0.000 2.791 377 M HA 0.731 5.212 4.480 0.002 0.000 0.286 377 M C -0.543 175.800 176.300 0.072 0.000 1.238 377 M CA -0.687 54.649 55.300 0.060 0.000 0.762 377 M CB 1.565 34.137 32.600 -0.047 0.000 1.758 377 M HN 0.566 nan 8.290 nan 0.000 0.447 378 C N 1.068 120.238 119.300 -0.217 0.000 2.366 378 C HA 0.682 5.144 4.460 0.002 0.000 0.345 378 C C -0.012 174.651 174.990 -0.546 0.000 1.209 378 C CA -0.464 58.270 59.018 -0.474 0.000 2.050 378 C CB 1.089 28.166 27.740 -1.106 0.000 2.359 378 C HN 0.658 nan 8.230 nan 0.000 0.527 379 R N 1.866 122.197 120.500 -0.282 0.000 2.473 379 R HA 0.575 4.916 4.340 0.002 0.000 0.303 379 R C -1.055 175.213 176.300 -0.052 0.000 1.002 379 R CA -0.021 55.943 56.100 -0.226 0.000 0.884 379 R CB 1.439 31.519 30.300 -0.367 0.000 1.173 379 R HN 0.890 nan 8.270 nan 0.000 0.464 380 A N 2.834 125.695 122.820 0.069 0.000 2.271 380 A HA 0.530 4.851 4.320 0.002 0.000 0.317 380 A C -0.470 177.143 177.584 0.047 0.000 1.245 380 A CA -0.486 51.627 52.037 0.128 0.000 0.857 380 A CB 0.896 20.068 19.000 0.287 0.000 1.175 380 A HN 0.657 nan 8.150 nan 0.000 0.512 381 S N 2.268 117.970 115.700 0.003 0.000 2.525 381 S HA 0.710 5.181 4.470 0.002 0.000 0.290 381 S C -0.496 174.101 174.600 -0.004 0.000 1.152 381 S CA -0.605 57.587 58.200 -0.013 0.000 1.072 381 S CB 1.114 64.300 63.200 -0.024 0.000 1.027 381 S HN 0.555 nan 8.310 nan 0.000 0.500 382 L N 2.260 123.468 121.223 -0.025 0.000 2.318 382 L HA 0.688 5.029 4.340 0.002 0.000 0.277 382 L C 0.325 177.173 176.870 -0.036 0.000 1.008 382 L CA -0.575 54.246 54.840 -0.032 0.000 0.846 382 L CB 1.081 43.090 42.059 -0.083 0.000 1.220 382 L HN 0.835 nan 8.230 nan 0.000 0.423 383 A N 3.977 126.777 122.820 -0.032 0.000 2.420 383 A HA 0.583 4.904 4.320 0.002 0.000 0.291 383 A C 1.079 178.624 177.584 -0.064 0.000 1.228 383 A CA -0.629 51.348 52.037 -0.100 0.000 0.933 383 A CB 0.813 19.578 19.000 -0.391 0.000 1.428 383 A HN 0.885 nan 8.150 nan 0.000 0.493 384 M N -1.158 118.386 119.600 -0.093 0.000 2.394 384 M HA -0.021 4.460 4.480 0.002 0.000 0.264 384 M C 0.922 177.395 176.300 0.287 0.000 1.073 384 M CA 1.902 57.288 55.300 0.142 0.000 1.111 384 M CB -0.545 32.141 32.600 0.144 0.000 1.401 384 M HN 0.734 nan 8.290 nan 0.000 0.448 385 Y N -1.113 119.297 120.300 0.183 0.000 2.468 385 Y HA 0.519 5.070 4.550 0.002 0.000 0.268 385 Y C -0.163 175.832 175.900 0.158 0.000 1.177 385 Y CA -1.876 56.283 58.100 0.099 0.000 1.265 385 Y CB -1.360 36.972 38.460 -0.213 0.000 1.103 385 Y HN 0.132 nan 8.280 nan 0.000 0.522 386 N N 1.467 120.415 118.700 0.413 0.000 2.508 386 N HA 0.309 5.050 4.740 0.002 0.000 0.285 386 N C 0.096 175.812 175.510 0.345 0.000 1.144 386 N CA 0.452 53.707 53.050 0.342 0.000 0.978 386 N CB 1.612 40.230 38.487 0.217 0.000 1.180 386 N HN 0.429 nan 8.380 nan 0.000 0.484 387 T N -2.714 111.998 114.554 0.263 0.000 2.926 387 T HA 0.336 4.688 4.350 0.002 0.000 0.289 387 T C 1.091 175.901 174.700 0.183 0.000 1.054 387 T CA -0.588 61.677 62.100 0.275 0.000 1.015 387 T CB 1.280 70.291 68.868 0.239 0.000 1.167 387 T HN 0.415 nan 8.240 nan 0.000 0.526 388 H N -0.175 118.920 119.070 0.043 0.000 2.387 388 H HA -0.050 4.508 4.556 0.002 0.000 0.299 388 H C 2.040 177.429 175.328 0.102 0.000 1.090 388 H CA 1.794 57.818 56.048 -0.039 0.000 1.332 388 H CB 0.289 29.826 29.762 -0.376 0.000 1.386 388 H HN 0.818 nan 8.280 nan 0.000 0.516 389 E N 1.280 121.604 120.200 0.207 0.000 2.118 389 E HA -0.184 4.167 4.350 0.002 0.000 0.195 389 E C 1.693 178.379 176.600 0.144 0.000 0.992 389 E CA 0.974 57.468 56.400 0.156 0.000 0.804 389 E CB 0.164 29.934 29.700 0.117 0.000 0.741 389 E HN 0.572 nan 8.360 nan 0.000 0.458 390 E N -0.308 119.980 120.200 0.147 0.000 2.072 390 E HA -0.135 4.216 4.350 0.002 0.000 0.190 390 E C 2.186 178.859 176.600 0.122 0.000 0.982 390 E CA 1.058 57.537 56.400 0.131 0.000 0.803 390 E CB 0.176 29.961 29.700 0.142 0.000 0.755 390 E HN 0.106 nan 8.360 nan 0.000 0.453 391 V N 1.990 121.986 119.914 0.136 0.000 2.287 391 V HA -0.282 3.839 4.120 0.002 0.000 0.248 391 V C 1.736 177.893 176.094 0.106 0.000 1.053 391 V CA 1.989 64.361 62.300 0.120 0.000 1.027 391 V CB -0.424 31.517 31.823 0.197 0.000 0.646 391 V HN 0.241 nan 8.190 nan 0.000 0.447 392 D N -0.362 120.136 120.400 0.164 0.000 2.117 392 D HA -0.163 4.478 4.640 0.002 0.000 0.197 392 D C 2.363 178.703 176.300 0.067 0.000 0.987 392 D CA 1.198 55.267 54.000 0.114 0.000 0.829 392 D CB -0.276 40.616 40.800 0.153 0.000 0.961 392 D HN 0.278 nan 8.370 nan 0.000 0.460 393 R N -0.062 120.487 120.500 0.081 0.000 2.159 393 R HA -0.131 4.210 4.340 0.002 0.000 0.237 393 R C 2.139 178.483 176.300 0.074 0.000 1.131 393 R CA 0.588 56.729 56.100 0.067 0.000 0.982 393 R CB -0.139 30.212 30.300 0.085 0.000 0.868 393 R HN 0.149 nan 8.270 nan 0.000 0.453 394 L N -0.645 120.619 121.223 0.068 0.000 2.071 394 L HA -0.034 4.307 4.340 0.002 0.000 0.201 394 L C 2.039 178.913 176.870 0.007 0.000 1.076 394 L CA 1.441 56.316 54.840 0.059 0.000 0.755 394 L CB -0.838 41.246 42.059 0.041 0.000 0.915 394 L HN -0.014 nan 8.230 nan 0.000 0.445 395 V N -0.403 119.487 119.914 -0.041 0.000 2.282 395 V HA -0.334 3.787 4.120 0.002 0.000 0.249 395 V C 2.384 178.450 176.094 -0.046 0.000 1.057 395 V CA 2.865 65.113 62.300 -0.087 0.000 1.032 395 V CB -0.708 31.051 31.823 -0.106 0.000 0.645 395 V HN 0.737 nan 8.190 nan 0.000 0.447 396 T N 0.355 114.898 114.554 -0.018 0.000 2.684 396 T HA -0.125 4.226 4.350 0.002 0.000 0.267 396 T C 1.709 176.413 174.700 0.008 0.000 1.036 396 T CA 1.750 63.841 62.100 -0.016 0.000 1.148 396 T CB -0.976 67.877 68.868 -0.025 0.000 0.863 396 T HN 0.728 nan 8.240 nan 0.000 0.436 397 G N 1.072 109.906 108.800 0.057 0.000 2.422 397 G HA2 -0.140 3.821 3.960 0.002 0.000 0.218 397 G HA3 -0.140 3.821 3.960 0.002 0.000 0.218 397 G C 1.439 176.465 174.900 0.209 0.000 1.146 397 G CA 0.444 45.673 45.100 0.215 0.000 0.769 397 G HN 0.323 nan 8.290 nan 0.000 0.547 398 L N 0.552 121.828 121.223 0.088 0.000 2.056 398 L HA -0.034 4.307 4.340 0.002 0.000 0.207 398 L C 3.044 179.933 176.870 0.033 0.000 1.078 398 L CA 1.395 56.253 54.840 0.031 0.000 0.749 398 L CB -0.861 41.142 42.059 -0.095 0.000 0.901 398 L HN 0.319 nan 8.230 nan 0.000 0.433 399 Q N -1.157 118.652 119.800 0.016 0.000 2.084 399 Q HA -0.228 4.114 4.340 0.002 0.000 0.202 399 Q C 2.379 178.427 176.000 0.080 0.000 0.978 399 Q CA 1.334 57.157 55.803 0.034 0.000 0.844 399 Q CB -0.146 28.594 28.738 0.003 0.000 0.898 399 Q HN 0.358 nan 8.270 nan 0.000 0.426 400 R N 1.143 121.685 120.500 0.071 0.000 2.070 400 R HA -0.115 4.226 4.340 0.002 0.000 0.233 400 R C 2.451 178.773 176.300 0.037 0.000 1.137 400 R CA 1.485 57.631 56.100 0.076 0.000 0.945 400 R CB -0.543 29.827 30.300 0.115 0.000 0.845 400 R HN 0.436 nan 8.270 nan 0.000 0.430 401 I N -1.696 118.884 120.570 0.015 0.000 2.530 401 I HA -0.267 3.904 4.170 0.002 0.000 0.257 401 I C 2.238 178.212 176.117 -0.239 0.000 1.179 401 I CA 1.758 62.898 61.300 -0.266 0.000 1.440 401 I CB -0.661 37.153 38.000 -0.310 0.000 1.087 401 I HN 0.294 nan 8.210 nan 0.000 0.440 402 H N 2.465 121.445 119.070 -0.149 0.000 2.307 402 H HA -0.055 4.502 4.556 0.002 0.000 0.303 402 H C 2.303 177.588 175.328 -0.072 0.000 1.073 402 H CA 1.614 57.609 56.048 -0.088 0.000 1.338 402 H CB 0.073 29.823 29.762 -0.020 0.000 1.389 402 H HN 0.326 nan 8.280 nan 0.000 0.503 403 R N -0.011 120.425 120.500 -0.106 0.000 2.105 403 R HA -0.134 4.207 4.340 0.002 0.000 0.239 403 R C 2.475 178.689 176.300 -0.145 0.000 1.135 403 R CA 1.228 57.244 56.100 -0.140 0.000 0.967 403 R CB -0.207 30.075 30.300 -0.030 0.000 0.861 403 R HN 0.254 nan 8.270 nan 0.000 0.442 404 L N 0.737 121.874 121.223 -0.143 0.000 2.023 404 L HA -0.056 4.285 4.340 0.002 0.000 0.205 404 L C 1.934 178.698 176.870 -0.178 0.000 1.073 404 L CA 1.623 56.381 54.840 -0.137 0.000 0.745 404 L CB -0.394 41.578 42.059 -0.144 0.000 0.900 404 L HN 0.087 nan 8.230 nan 0.000 0.435 405 L N -0.915 120.127 121.223 -0.302 0.000 2.240 405 L HA 0.274 4.615 4.340 0.002 0.000 0.211 405 L C 1.083 177.890 176.870 -0.105 0.000 1.106 405 L CA 0.478 55.147 54.840 -0.286 0.000 0.793 405 L CB -0.572 41.099 42.059 -0.647 0.000 0.927 405 L HN 0.555 nan 8.230 nan 0.000 0.446 406 G N 0.000 108.706 108.800 -0.156 0.000 5.446 406 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 406 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 406 G CA 0.000 45.033 45.100 -0.112 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925