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 1xqf_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLX XXXXXXXXXX XXPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTMX DATA SEQUENCE XXXXXXXXPC DVFGVHGVCG IVGCIMTGIF AASSLGGVGF AEGVTMGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRVP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.558 177.584 -0.043 0.000 1.274 3 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 3 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 4 V N 2.121 121.996 119.914 -0.064 0.000 2.628 4 V HA 0.842 4.962 4.120 0.000 0.000 0.306 4 V C 0.634 176.630 176.094 -0.163 0.000 1.045 4 V CA 0.077 62.325 62.300 -0.087 0.000 0.905 4 V CB 1.691 33.482 31.823 -0.053 0.000 0.997 4 V HN 2.147 nan 8.190 nan 0.000 0.436 5 A N 4.334 126.979 122.820 -0.291 0.000 2.401 5 A HA 0.391 4.711 4.320 0.000 0.000 0.259 5 A C -0.035 177.394 177.584 -0.259 0.000 1.103 5 A CA -0.182 51.592 52.037 -0.438 0.000 0.789 5 A CB 0.213 18.547 19.000 -1.110 0.000 1.035 5 A HN 0.887 nan 8.150 nan 0.000 0.491 6 D N 1.870 122.153 120.400 -0.195 0.000 2.274 6 D HA 0.202 4.842 4.640 0.000 0.000 0.239 6 D C 0.665 176.913 176.300 -0.087 0.000 1.104 6 D CA -0.265 53.667 54.000 -0.112 0.000 0.840 6 D CB 1.007 41.755 40.800 -0.086 0.000 1.100 6 D HN 0.525 nan 8.370 nan 0.000 0.477 7 K N 2.289 122.662 120.400 -0.046 0.000 2.209 7 K HA -0.102 4.219 4.320 0.000 0.000 0.204 7 K C 1.821 178.426 176.600 0.009 0.000 1.048 7 K CA 1.116 57.401 56.287 -0.003 0.000 0.940 7 K CB 0.149 32.659 32.500 0.017 0.000 0.729 7 K HN 0.450 nan 8.250 nan 0.000 0.451 8 A N 1.766 124.583 122.820 -0.006 0.000 1.902 8 A HA -0.201 4.119 4.320 0.000 0.000 0.217 8 A C 1.540 179.143 177.584 0.031 0.000 1.181 8 A CA 1.851 53.890 52.037 0.002 0.000 0.623 8 A CB -0.352 18.630 19.000 -0.030 0.000 0.818 8 A HN 0.159 nan 8.150 nan 0.000 0.443 9 D N 0.156 120.560 120.400 0.008 0.000 2.144 9 D HA -0.116 4.524 4.640 0.000 0.000 0.200 9 D C 1.631 177.967 176.300 0.059 0.000 0.978 9 D CA 1.042 55.066 54.000 0.041 0.000 0.833 9 D CB -0.427 40.362 40.800 -0.019 0.000 0.961 9 D HN 0.336 nan 8.370 nan 0.000 0.470 10 N N 1.048 119.761 118.700 0.021 0.000 2.069 10 N HA -0.145 4.595 4.740 0.000 0.000 0.191 10 N C 1.780 177.331 175.510 0.069 0.000 1.031 10 N CA 1.451 54.528 53.050 0.044 0.000 0.852 10 N CB -0.456 38.074 38.487 0.071 0.000 1.018 10 N HN 0.141 nan 8.380 nan 0.000 0.423 11 A N 0.737 123.606 122.820 0.081 0.000 1.858 11 A HA -0.151 4.169 4.320 0.000 0.000 0.216 11 A C 2.171 179.830 177.584 0.126 0.000 1.190 11 A CA 1.185 53.276 52.037 0.090 0.000 0.617 11 A CB -1.104 17.946 19.000 0.083 0.000 0.827 11 A HN 0.273 nan 8.150 nan 0.000 0.443 12 F N 0.169 120.115 119.950 -0.007 0.000 2.095 12 F HA -0.217 4.311 4.527 0.001 0.000 0.298 12 F C 2.264 178.058 175.800 -0.010 0.000 1.104 12 F CA 2.075 60.073 58.000 -0.003 0.000 1.232 12 F CB -0.207 38.782 39.000 -0.018 0.000 0.987 12 F HN 0.105 nan 8.300 nan 0.000 0.475 13 M N -0.695 118.859 119.600 -0.078 0.000 2.254 13 M HA -0.151 4.329 4.480 0.000 0.000 0.265 13 M C 2.261 178.491 176.300 -0.116 0.000 1.066 13 M CA 1.304 56.462 55.300 -0.238 0.000 1.123 13 M CB -1.151 31.328 32.600 -0.202 0.000 1.388 13 M HN 0.281 nan 8.290 nan 0.000 0.425 14 M N -0.221 119.364 119.600 -0.026 0.000 2.117 14 M HA -0.188 4.292 4.480 0.000 0.000 0.262 14 M C 1.957 178.263 176.300 0.011 0.000 1.065 14 M CA 1.218 56.529 55.300 0.019 0.000 1.114 14 M CB -0.329 32.293 32.600 0.037 0.000 1.361 14 M HN 0.121 nan 8.290 nan 0.000 0.408 15 I N -0.272 120.288 120.570 -0.017 0.000 2.315 15 I HA -0.258 3.912 4.170 0.000 0.000 0.248 15 I C 2.500 178.603 176.117 -0.023 0.000 1.117 15 I CA 1.235 62.527 61.300 -0.013 0.000 1.404 15 I CB -1.505 36.498 38.000 0.005 0.000 1.071 15 I HN 0.406 nan 8.210 nan 0.000 0.419 16 C N 0.697 119.927 119.300 -0.116 0.000 2.425 16 C HA -0.142 4.319 4.460 0.000 0.000 0.277 16 C C 3.000 178.101 174.990 0.185 0.000 1.280 16 C CA 1.345 60.343 59.018 -0.033 0.000 1.744 16 C CB -1.125 26.475 27.740 -0.234 0.000 1.989 16 C HN 0.524 nan 8.230 nan 0.000 0.491 17 T N 1.235 115.918 114.554 0.215 0.000 2.708 17 T HA -0.144 4.206 4.350 0.000 0.000 0.266 17 T C 2.140 176.917 174.700 0.128 0.000 1.037 17 T CA 1.711 63.957 62.100 0.243 0.000 1.146 17 T CB -0.444 68.550 68.868 0.212 0.000 0.865 17 T HN 0.648 nan 8.240 nan 0.000 0.435 18 A N 1.240 124.113 122.820 0.088 0.000 1.908 18 A HA -0.018 4.302 4.320 0.000 0.000 0.218 18 A C 2.318 179.952 177.584 0.084 0.000 1.181 18 A CA 1.274 53.347 52.037 0.060 0.000 0.627 18 A CB -0.914 18.093 19.000 0.012 0.000 0.818 18 A HN 0.478 nan 8.150 nan 0.000 0.445 19 L N -0.517 120.769 121.223 0.105 0.000 2.083 19 L HA -0.173 4.167 4.340 0.000 0.000 0.209 19 L C 2.491 179.464 176.870 0.171 0.000 1.083 19 L CA 1.135 56.082 54.840 0.178 0.000 0.752 19 L CB -0.478 41.686 42.059 0.176 0.000 0.899 19 L HN 0.268 nan 8.230 nan 0.000 0.433 20 V N -0.185 119.795 119.914 0.110 0.000 2.427 20 V HA -0.247 3.873 4.120 0.000 0.000 0.248 20 V C 2.345 178.445 176.094 0.009 0.000 1.051 20 V CA 1.350 63.657 62.300 0.011 0.000 1.048 20 V CB -0.372 31.410 31.823 -0.067 0.000 0.666 20 V HN 0.345 nan 8.190 nan 0.000 0.456 21 L N -1.141 120.127 121.223 0.074 0.000 2.083 21 L HA -0.185 4.155 4.340 0.000 0.000 0.209 21 L C 2.421 179.345 176.870 0.090 0.000 1.083 21 L CA 1.568 56.471 54.840 0.106 0.000 0.752 21 L CB -0.663 41.488 42.059 0.154 0.000 0.899 21 L HN 0.316 nan 8.230 nan 0.000 0.433 22 F N 0.869 120.786 119.950 -0.055 0.000 2.161 22 F HA -0.243 4.284 4.527 0.000 0.000 0.300 22 F C 2.415 178.156 175.800 -0.097 0.000 1.089 22 F CA 1.372 59.331 58.000 -0.068 0.000 1.282 22 F CB -0.376 38.607 39.000 -0.029 0.000 1.010 22 F HN 0.002 nan 8.300 nan 0.000 0.485 23 M N -0.941 118.604 119.600 -0.093 0.000 2.144 23 M HA -0.241 4.240 4.480 0.000 0.000 0.260 23 M C 1.845 178.007 176.300 -0.230 0.000 1.067 23 M CA 2.307 57.462 55.300 -0.242 0.000 1.095 23 M CB -0.811 31.607 32.600 -0.302 0.000 1.365 23 M HN 0.040 nan 8.290 nan 0.000 0.406 24 T N 0.052 114.500 114.554 -0.177 0.000 2.901 24 T HA 0.161 4.511 4.350 0.000 0.000 0.252 24 T C 0.865 175.425 174.700 -0.234 0.000 1.035 24 T CA 0.610 62.602 62.100 -0.180 0.000 1.142 24 T CB 0.321 69.108 68.868 -0.135 0.000 0.869 24 T HN 0.066 nan 8.240 nan 0.000 0.442 25 I N 3.331 123.736 120.570 -0.275 0.000 2.388 25 I HA 0.282 4.452 4.170 0.000 0.000 0.281 25 I C -2.194 173.892 176.117 -0.052 0.000 1.046 25 I CA -2.486 58.661 61.300 -0.254 0.000 1.187 25 I CB 1.107 38.821 38.000 -0.478 0.000 1.351 25 I HN 0.067 nan 8.210 nan 0.000 0.472 26 P HA 0.198 nan 4.420 nan 0.000 0.282 26 P C 1.273 178.477 177.300 -0.159 0.000 1.373 26 P CA 0.107 63.140 63.100 -0.113 0.000 1.001 26 P CB 0.986 32.656 31.700 -0.049 0.000 1.489 27 G N 1.779 110.421 108.800 -0.264 0.000 2.586 27 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 27 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 27 G C 1.297 176.111 174.900 -0.143 0.000 1.216 27 G CA 0.882 45.824 45.100 -0.264 0.000 0.786 27 G HN 0.263 nan 8.290 nan 0.000 0.583 28 I N 1.705 122.194 120.570 -0.135 0.000 2.394 28 I HA 0.042 4.213 4.170 0.000 0.000 0.251 28 I C 2.966 179.132 176.117 0.083 0.000 1.136 28 I CA 1.144 62.403 61.300 -0.069 0.000 1.425 28 I CB -0.312 37.650 38.000 -0.063 0.000 1.079 28 I HN 0.212 nan 8.210 nan 0.000 0.425 29 A N 0.063 122.910 122.820 0.045 0.000 1.898 29 A HA -0.134 4.186 4.320 0.000 0.000 0.216 29 A C 2.272 179.902 177.584 0.077 0.000 1.181 29 A CA 1.658 53.742 52.037 0.078 0.000 0.620 29 A CB -0.859 18.147 19.000 0.010 0.000 0.819 29 A HN 0.458 nan 8.150 nan 0.000 0.442 30 L N -2.275 118.963 121.223 0.026 0.000 2.109 30 L HA -0.091 4.249 4.340 0.000 0.000 0.207 30 L C 2.447 179.324 176.870 0.012 0.000 1.086 30 L CA 1.226 56.071 54.840 0.009 0.000 0.760 30 L CB -0.557 41.486 42.059 -0.026 0.000 0.910 30 L HN 0.483 nan 8.230 nan 0.000 0.437 31 F N 0.308 120.172 119.950 -0.143 0.000 2.043 31 F HA -0.328 4.199 4.527 0.000 0.000 0.297 31 F C 2.406 178.092 175.800 -0.189 0.000 1.121 31 F CA 1.837 59.704 58.000 -0.221 0.000 1.199 31 F CB -0.378 38.412 39.000 -0.350 0.000 0.968 31 F HN -0.068 nan 8.300 nan 0.000 0.478 32 Y N 0.409 120.772 120.300 0.105 0.000 2.293 32 Y HA 0.004 4.554 4.550 0.001 0.000 0.291 32 Y C 2.690 178.562 175.900 -0.047 0.000 1.137 32 Y CA 1.017 59.117 58.100 0.000 0.000 1.202 32 Y CB -1.367 37.124 38.460 0.051 0.000 0.990 32 Y HN 0.146 nan 8.280 nan 0.000 0.537 33 G N -0.561 108.312 108.800 0.123 0.000 2.442 33 G HA2 -0.240 3.721 3.960 0.000 0.000 0.219 33 G HA3 -0.240 3.721 3.960 0.000 0.000 0.219 33 G C 1.996 176.928 174.900 0.053 0.000 1.141 33 G CA 1.039 46.192 45.100 0.088 0.000 0.763 33 G HN 0.523 nan 8.290 nan 0.000 0.554 34 G N -0.004 108.737 108.800 -0.098 0.000 2.623 34 G HA2 0.122 4.082 3.960 0.000 0.000 0.214 34 G HA3 0.122 4.082 3.960 0.000 0.000 0.214 34 G C 1.676 176.451 174.900 -0.209 0.000 1.138 34 G CA 0.194 45.139 45.100 -0.259 0.000 0.794 34 G HN 0.424 nan 8.290 nan 0.000 0.535 35 L N 0.537 121.686 121.223 -0.124 0.000 2.168 35 L HA 0.300 4.641 4.340 0.000 0.000 0.203 35 L C 1.704 178.608 176.870 0.057 0.000 1.078 35 L CA 0.066 54.859 54.840 -0.078 0.000 0.780 35 L CB -0.271 41.710 42.059 -0.130 0.000 0.939 35 L HN 0.291 nan 8.230 nan 0.000 0.451 36 I N -1.654 118.980 120.570 0.106 0.000 3.021 36 I HA 0.244 4.414 4.170 0.000 0.000 0.303 36 I C 0.692 176.852 176.117 0.071 0.000 1.044 36 I CA -0.846 60.500 61.300 0.077 0.000 1.266 36 I CB 0.473 38.497 38.000 0.039 0.000 1.447 36 I HN -0.051 nan 8.210 nan 0.000 0.593 37 R N 2.229 122.710 120.500 -0.031 0.000 2.570 37 R HA 0.174 4.515 4.340 0.000 0.000 0.277 37 R C 1.146 177.280 176.300 -0.277 0.000 1.039 37 R CA 1.117 57.136 56.100 -0.135 0.000 1.065 37 R CB 0.761 31.006 30.300 -0.090 0.000 0.964 37 R HN 0.878 nan 8.270 nan 0.000 0.428 38 G N 4.189 112.669 108.800 -0.533 0.000 2.442 38 G HA2 -0.355 3.605 3.960 0.000 0.000 0.219 38 G HA3 -0.355 3.605 3.960 0.000 0.000 0.219 38 G C 0.827 175.592 174.900 -0.226 0.000 1.141 38 G CA 1.153 45.917 45.100 -0.560 0.000 0.763 38 G HN 0.809 nan 8.290 nan 0.000 0.554 39 K N -0.046 120.259 120.400 -0.158 0.000 2.442 39 K HA 0.044 4.364 4.320 0.000 0.000 0.198 39 K C 1.273 177.833 176.600 -0.066 0.000 1.042 39 K CA 1.170 57.404 56.287 -0.088 0.000 0.958 39 K CB -0.019 32.440 32.500 -0.069 0.000 0.766 39 K HN 0.148 nan 8.250 nan 0.000 0.474 40 N N 0.501 119.155 118.700 -0.077 0.000 2.205 40 N HA 0.035 4.775 4.740 0.000 0.000 0.201 40 N C 1.327 176.815 175.510 -0.036 0.000 1.128 40 N CA 0.142 53.161 53.050 -0.052 0.000 0.867 40 N CB 0.690 39.144 38.487 -0.055 0.000 0.996 40 N HN -0.010 nan 8.380 nan 0.000 0.503 41 V N 1.471 121.366 119.914 -0.032 0.000 2.307 41 V HA -0.131 3.989 4.120 0.000 0.000 0.245 41 V C 2.374 178.474 176.094 0.011 0.000 1.045 41 V CA 1.219 63.524 62.300 0.009 0.000 1.024 41 V CB -0.391 31.459 31.823 0.044 0.000 0.651 41 V HN 0.229 nan 8.190 nan 0.000 0.449 42 L N -0.083 121.145 121.223 0.008 0.000 2.012 42 L HA -0.194 4.146 4.340 0.000 0.000 0.210 42 L C 2.720 179.602 176.870 0.018 0.000 1.073 42 L CA 2.044 56.895 54.840 0.018 0.000 0.748 42 L CB -0.773 41.299 42.059 0.020 0.000 0.891 42 L HN 0.407 nan 8.230 nan 0.000 0.431 43 S N -0.390 115.313 115.700 0.006 0.000 2.383 43 S HA -0.209 4.261 4.470 0.000 0.000 0.227 43 S C 2.045 176.609 174.600 -0.060 0.000 1.026 43 S CA 1.144 59.342 58.200 -0.004 0.000 0.981 43 S CB -0.151 63.045 63.200 -0.006 0.000 0.818 43 S HN 0.309 nan 8.310 nan 0.000 0.472 44 M N 1.089 120.653 119.600 -0.060 0.000 2.117 44 M HA -0.046 4.434 4.480 0.000 0.000 0.262 44 M C 1.881 178.149 176.300 -0.052 0.000 1.065 44 M CA 1.597 56.849 55.300 -0.080 0.000 1.114 44 M CB -1.019 31.546 32.600 -0.057 0.000 1.361 44 M HN 0.410 nan 8.290 nan 0.000 0.408 45 L N -0.418 120.798 121.223 -0.011 0.000 2.083 45 L HA -0.214 4.126 4.340 0.000 0.000 0.209 45 L C 2.291 179.171 176.870 0.016 0.000 1.083 45 L CA 1.692 56.537 54.840 0.009 0.000 0.752 45 L CB -1.140 40.933 42.059 0.023 0.000 0.899 45 L HN 0.321 nan 8.230 nan 0.000 0.433 46 T N -1.006 113.564 114.554 0.028 0.000 2.708 46 T HA -0.223 4.127 4.350 0.000 0.000 0.266 46 T C 1.885 176.619 174.700 0.056 0.000 1.037 46 T CA 1.241 63.394 62.100 0.087 0.000 1.146 46 T CB -0.217 68.750 68.868 0.165 0.000 0.865 46 T HN 0.373 nan 8.240 nan 0.000 0.435 47 Q N 0.322 120.028 119.800 -0.155 0.000 2.096 47 Q HA -0.094 4.247 4.340 0.000 0.000 0.204 47 Q C 2.615 178.561 176.000 -0.089 0.000 0.982 47 Q CA 1.257 56.862 55.803 -0.331 0.000 0.850 47 Q CB -0.532 27.903 28.738 -0.506 0.000 0.901 47 Q HN 0.355 nan 8.270 nan 0.000 0.422 48 V N 0.627 120.516 119.914 -0.042 0.000 2.343 48 V HA -0.259 3.861 4.120 0.000 0.000 0.247 48 V C 2.199 178.342 176.094 0.081 0.000 1.051 48 V CA 2.193 64.504 62.300 0.018 0.000 1.036 48 V CB -0.819 31.009 31.823 0.009 0.000 0.654 48 V HN 0.438 nan 8.190 nan 0.000 0.451 49 T N -0.139 114.462 114.554 0.078 0.000 2.737 49 T HA -0.132 4.219 4.350 0.000 0.000 0.265 49 T C 1.945 176.777 174.700 0.220 0.000 1.038 49 T CA 1.595 63.769 62.100 0.124 0.000 1.144 49 T CB -0.183 68.738 68.868 0.089 0.000 0.866 49 T HN 0.286 nan 8.240 nan 0.000 0.434 50 V N 2.377 122.417 119.914 0.211 0.000 2.358 50 V HA -0.169 3.952 4.120 0.000 0.000 0.246 50 V C 3.023 179.246 176.094 0.215 0.000 1.047 50 V CA 2.119 64.564 62.300 0.242 0.000 1.035 50 V CB -1.349 30.696 31.823 0.371 0.000 0.658 50 V HN 0.725 nan 8.190 nan 0.000 0.452 51 T N -1.684 112.987 114.554 0.194 0.000 2.904 51 T HA -0.203 4.148 4.350 0.000 0.000 0.267 51 T C 1.807 176.599 174.700 0.154 0.000 1.059 51 T CA 1.457 63.652 62.100 0.159 0.000 1.137 51 T CB -0.610 68.333 68.868 0.125 0.000 0.879 51 T HN 0.385 nan 8.240 nan 0.000 0.467 52 F N 3.029 123.003 119.950 0.039 0.000 2.069 52 F HA 0.035 4.563 4.527 0.000 0.000 0.298 52 F C 2.628 178.443 175.800 0.024 0.000 1.113 52 F CA 1.216 59.226 58.000 0.017 0.000 1.214 52 F CB -0.941 38.066 39.000 0.012 0.000 0.978 52 F HN 0.258 nan 8.300 nan 0.000 0.474 53 A N 0.550 123.401 122.820 0.051 0.000 1.883 53 A HA -0.211 4.109 4.320 0.000 0.000 0.217 53 A C 2.148 179.687 177.584 -0.075 0.000 1.186 53 A CA 1.879 53.885 52.037 -0.052 0.000 0.624 53 A CB -1.410 17.645 19.000 0.092 0.000 0.822 53 A HN 0.548 nan 8.150 nan 0.000 0.444 54 L N -0.049 121.176 121.223 0.003 0.000 2.042 54 L HA -0.136 4.204 4.340 0.000 0.000 0.210 54 L C 2.396 179.251 176.870 -0.025 0.000 1.076 54 L CA 2.043 56.893 54.840 0.016 0.000 0.749 54 L CB -0.498 41.604 42.059 0.071 0.000 0.893 54 L HN 0.165 nan 8.230 nan 0.000 0.432 55 V N -1.313 118.562 119.914 -0.066 0.000 2.358 55 V HA -0.334 3.786 4.120 0.000 0.000 0.246 55 V C 2.640 178.663 176.094 -0.118 0.000 1.047 55 V CA 1.781 64.030 62.300 -0.085 0.000 1.035 55 V CB -0.842 30.912 31.823 -0.116 0.000 0.658 55 V HN 0.639 nan 8.190 nan 0.000 0.452 56 C N -0.041 119.107 119.300 -0.254 0.000 2.401 56 C HA -0.178 4.282 4.460 0.000 0.000 0.276 56 C C 2.601 177.555 174.990 -0.059 0.000 1.233 56 C CA 0.710 59.596 59.018 -0.218 0.000 1.753 56 C CB -1.016 26.503 27.740 -0.369 0.000 2.029 56 C HN 0.471 nan 8.230 nan 0.000 0.478 57 I N 0.644 121.179 120.570 -0.059 0.000 2.193 57 I HA -0.117 4.053 4.170 0.000 0.000 0.240 57 I C 2.433 178.527 176.117 -0.038 0.000 1.084 57 I CA 1.635 62.920 61.300 -0.025 0.000 1.365 57 I CB -1.496 36.499 38.000 -0.009 0.000 1.064 57 I HN 0.346 nan 8.210 nan 0.000 0.410 58 L N -0.626 120.559 121.223 -0.063 0.000 2.079 58 L HA -0.262 4.078 4.340 0.000 0.000 0.210 58 L C 2.628 179.298 176.870 -0.333 0.000 1.081 58 L CA 1.491 56.190 54.840 -0.235 0.000 0.752 58 L CB -0.606 41.345 42.059 -0.179 0.000 0.896 58 L HN 0.469 nan 8.230 nan 0.000 0.433 59 W N 0.385 121.523 121.300 -0.271 0.000 2.355 59 W HA -0.188 4.472 4.660 0.000 0.000 0.309 59 W C 2.160 178.612 176.519 -0.110 0.000 1.206 59 W CA 1.622 58.864 57.345 -0.172 0.000 1.284 59 W CB 0.061 29.462 29.460 -0.099 0.000 1.145 59 W HN -0.063 nan 8.180 nan 0.000 0.502 60 V N 0.415 120.313 119.914 -0.027 0.000 2.453 60 V HA -0.269 3.852 4.120 0.000 0.000 0.247 60 V C 2.165 178.203 176.094 -0.093 0.000 1.048 60 V CA 1.451 63.695 62.300 -0.093 0.000 1.049 60 V CB -0.854 30.945 31.823 -0.039 0.000 0.672 60 V HN 0.004 nan 8.190 nan 0.000 0.457 61 V N 0.233 120.099 119.914 -0.080 0.000 2.295 61 V HA -0.241 3.879 4.120 0.000 0.000 0.246 61 V C 1.930 178.074 176.094 0.084 0.000 1.049 61 V CA 2.915 65.222 62.300 0.012 0.000 1.024 61 V CB -0.584 31.289 31.823 0.084 0.000 0.648 61 V HN 0.892 nan 8.190 nan 0.000 0.447 62 Y N -2.565 117.721 120.300 -0.023 0.000 2.532 62 Y HA 0.539 5.089 4.550 0.001 0.000 0.282 62 Y C 1.851 177.689 175.900 -0.102 0.000 1.013 62 Y CA 0.347 58.425 58.100 -0.037 0.000 1.159 62 Y CB -0.561 37.884 38.460 -0.025 0.000 1.393 62 Y HN -0.036 nan 8.280 nan 0.000 0.580 63 G N 1.243 109.735 108.800 -0.515 0.000 2.433 63 G HA2 -0.352 3.609 3.960 0.000 0.000 0.216 63 G HA3 -0.352 3.609 3.960 0.000 0.000 0.216 63 G C 1.421 175.844 174.900 -0.796 0.000 1.186 63 G CA 1.518 46.328 45.100 -0.483 0.000 0.779 63 G HN 0.507 nan 8.290 nan 0.000 0.543 64 Y N 1.549 121.034 120.300 -1.357 0.000 2.165 64 Y HA -0.164 4.386 4.550 0.001 0.000 0.286 64 Y C 3.159 178.993 175.900 -0.110 0.000 1.155 64 Y CA 1.894 59.421 58.100 -0.955 0.000 1.164 64 Y CB -0.473 37.530 38.460 -0.762 0.000 0.978 64 Y HN 0.245 nan 8.280 nan 0.000 0.513 65 S N -0.229 115.484 115.700 0.021 0.000 2.359 65 S HA -0.181 4.290 4.470 0.000 0.000 0.224 65 S C 1.949 176.536 174.600 -0.021 0.000 1.035 65 S CA 1.754 60.042 58.200 0.147 0.000 1.018 65 S CB -0.547 62.771 63.200 0.195 0.000 0.876 65 S HN 0.530 nan 8.310 nan 0.000 0.448 66 L N 0.458 121.663 121.223 -0.030 0.000 2.313 66 L HA 0.133 4.473 4.340 0.000 0.000 0.214 66 L C 2.599 179.418 176.870 -0.085 0.000 1.119 66 L CA 0.768 55.589 54.840 -0.031 0.000 0.809 66 L CB -0.389 41.686 42.059 0.027 0.000 0.933 66 L HN 0.376 nan 8.230 nan 0.000 0.449 67 A N -0.625 122.123 122.820 -0.119 0.000 1.903 67 A HA -0.012 4.308 4.320 0.000 0.000 0.213 67 A C 1.654 179.027 177.584 -0.352 0.000 1.185 67 A CA 1.110 53.027 52.037 -0.201 0.000 0.628 67 A CB -0.241 18.697 19.000 -0.104 0.000 0.830 67 A HN 0.335 nan 8.150 nan 0.000 0.446 68 F N -0.414 119.489 119.950 -0.077 0.000 2.706 68 F HA 0.314 4.842 4.527 0.001 0.000 0.308 68 F C 1.588 177.415 175.800 0.044 0.000 1.095 68 F CA -0.288 57.698 58.000 -0.025 0.000 1.244 68 F CB 0.052 38.927 39.000 -0.209 0.000 1.063 68 F HN 0.218 nan 8.300 nan 0.000 0.582 69 G N 0.530 109.327 108.800 -0.005 0.000 2.606 69 G HA2 0.145 4.106 3.960 0.000 0.000 0.252 69 G HA3 0.145 4.106 3.960 0.000 0.000 0.252 69 G C -0.557 174.248 174.900 -0.159 0.000 1.206 69 G CA -0.377 44.491 45.100 -0.386 0.000 0.861 69 G HN 0.205 nan 8.290 nan 0.000 0.561 70 E N -0.001 120.064 120.200 -0.225 0.000 2.259 70 E HA 0.488 4.838 4.350 0.000 0.000 0.281 70 E C 0.666 177.191 176.600 -0.124 0.000 1.037 70 E CA 0.119 56.461 56.400 -0.096 0.000 0.854 70 E CB 0.568 30.213 29.700 -0.092 0.000 1.051 70 E HN 0.500 nan 8.360 nan 0.000 0.409 71 G N 4.047 112.791 108.800 -0.093 0.000 3.481 71 G HA2 0.106 4.066 3.960 0.000 0.000 0.180 71 G HA3 0.106 4.066 3.960 0.000 0.000 0.180 71 G C -0.495 174.281 174.900 -0.207 0.000 1.345 71 G CA 0.090 45.066 45.100 -0.206 0.000 1.104 71 G HN 0.661 nan 8.290 nan 0.000 0.749 72 N N -0.939 117.567 118.700 -0.324 0.000 3.255 72 N HA 0.290 5.031 4.740 0.000 0.000 0.359 72 N C 0.501 175.921 175.510 -0.149 0.000 1.463 72 N CA -0.624 52.279 53.050 -0.245 0.000 0.695 72 N CB 0.348 38.643 38.487 -0.320 0.000 1.581 72 N HN 0.106 nan 8.380 nan 0.000 0.622 73 N N -1.168 117.369 118.700 -0.271 0.000 2.381 73 N HA 0.049 4.789 4.740 0.000 0.000 0.182 73 N C 0.193 175.356 175.510 -0.579 0.000 1.025 73 N CA 1.013 53.761 53.050 -0.504 0.000 0.888 73 N CB -0.225 37.772 38.487 -0.817 0.000 0.965 73 N HN 0.451 nan 8.380 nan 0.000 0.438 74 F N -0.985 118.951 119.950 -0.023 0.000 2.592 74 F HA 0.247 4.775 4.527 0.002 0.000 0.280 74 F C 0.478 176.264 175.800 -0.023 0.000 1.083 74 F CA -0.446 57.576 58.000 0.038 0.000 1.365 74 F CB 0.113 39.235 39.000 0.202 0.000 1.100 74 F HN -0.180 nan 8.300 nan 0.000 0.633 75 F N -1.344 118.477 119.950 -0.214 0.000 2.643 75 F HA 0.856 5.384 4.527 0.000 0.000 0.314 75 F C 0.382 175.645 175.800 -0.895 0.000 1.096 75 F CA -1.644 55.993 58.000 -0.605 0.000 0.953 75 F CB 0.494 39.363 39.000 -0.218 0.000 1.345 75 F HN -0.047 nan 8.300 nan 0.000 0.468 76 G N 0.911 109.376 108.800 -0.558 0.000 3.224 76 G HA2 0.398 4.358 3.960 0.000 0.000 0.161 76 G HA3 0.398 4.358 3.960 0.000 0.000 0.161 76 G C -0.949 173.910 174.900 -0.070 0.000 1.872 76 G CA 0.251 45.161 45.100 -0.318 0.000 1.012 76 G HN 1.089 nan 8.290 nan 0.000 0.504 77 N N -2.129 116.526 118.700 -0.076 0.000 3.204 77 N HA 0.383 5.123 4.740 0.000 0.000 0.285 77 N C -0.205 175.272 175.510 -0.055 0.000 1.536 77 N CA -0.545 52.475 53.050 -0.050 0.000 0.832 77 N CB 0.966 39.367 38.487 -0.143 0.000 1.645 77 N HN 0.594 nan 8.380 nan 0.000 0.586 78 I N -3.795 116.748 120.570 -0.045 0.000 3.816 78 I HA 0.471 4.641 4.170 0.000 0.000 0.334 78 I C -0.277 175.833 176.117 -0.012 0.000 1.551 78 I CA -0.554 60.738 61.300 -0.013 0.000 1.153 78 I CB -0.521 37.473 38.000 -0.010 0.000 1.197 78 I HN 0.397 nan 8.210 nan 0.000 0.439 79 N N 0.536 119.177 118.700 -0.098 0.000 2.457 79 N HA -0.008 4.733 4.740 0.000 0.000 0.180 79 N C 0.174 175.740 175.510 0.094 0.000 1.050 79 N CA 0.540 53.535 53.050 -0.093 0.000 0.906 79 N CB 0.111 38.436 38.487 -0.270 0.000 0.968 79 N HN 0.493 nan 8.380 nan 0.000 0.445 80 W N 1.232 122.568 121.300 0.059 0.000 2.390 80 W HA 0.365 5.025 4.660 0.001 0.000 0.397 80 W C -0.745 175.807 176.519 0.055 0.000 0.839 80 W CA -1.045 56.345 57.345 0.075 0.000 2.576 80 W CB -0.791 28.748 29.460 0.132 0.000 1.346 80 W HN -0.073 nan 8.180 nan 0.000 0.708 81 L N 1.862 123.220 121.223 0.226 0.000 2.462 81 L HA 0.011 4.351 4.340 0.000 0.000 0.272 81 L C 1.305 178.244 176.870 0.114 0.000 1.166 81 L CA 0.468 55.398 54.840 0.151 0.000 0.880 81 L CB 0.069 42.197 42.059 0.116 0.000 1.142 81 L HN 0.058 nan 8.230 nan 0.000 0.473 82 M N 4.861 124.506 119.600 0.075 0.000 2.503 82 M HA -0.258 4.223 4.480 0.000 0.000 0.199 82 M C 0.706 177.012 176.300 0.010 0.000 0.466 82 M CA 0.536 55.855 55.300 0.033 0.000 0.510 82 M CB -1.509 31.117 32.600 0.043 0.000 1.858 82 M HN 0.739 nan 8.290 nan 0.000 0.799 83 L N -2.285 118.942 121.223 0.005 0.000 4.232 83 L HA -0.264 4.076 4.340 0.000 0.000 0.415 83 L C 0.827 177.714 176.870 0.028 0.000 1.168 83 L CA 1.081 55.884 54.840 -0.062 0.000 0.966 83 L CB -1.542 40.354 42.059 -0.272 0.000 2.052 83 L HN 0.539 nan 8.230 nan 0.000 0.887 84 K N 1.601 122.066 120.400 0.109 0.000 2.414 84 K HA 0.021 4.341 4.320 0.000 0.000 0.272 84 K C 1.186 177.905 176.600 0.198 0.000 0.993 84 K CA 0.603 56.970 56.287 0.133 0.000 0.964 84 K CB 0.309 32.886 32.500 0.128 0.000 0.925 84 K HN 0.339 nan 8.250 nan 0.000 0.487 85 N N 0.939 119.736 118.700 0.162 0.000 2.909 85 N HA -0.220 4.520 4.740 0.000 0.000 0.242 85 N C -0.813 174.794 175.510 0.163 0.000 0.975 85 N CA 1.152 54.318 53.050 0.194 0.000 0.921 85 N CB -1.219 37.437 38.487 0.281 0.000 1.112 85 N HN 0.524 nan 8.380 nan 0.000 0.581 86 I N 1.733 122.335 120.570 0.054 0.000 2.306 86 I HA 0.107 4.277 4.170 0.000 0.000 0.288 86 I C 0.651 176.812 176.117 0.074 0.000 1.036 86 I CA -0.444 60.840 61.300 -0.027 0.000 1.221 86 I CB 0.901 38.764 38.000 -0.228 0.000 1.385 86 I HN -0.163 nan 8.210 nan 0.000 0.472 87 E N 4.179 124.411 120.200 0.054 0.000 2.413 87 E HA -0.036 4.315 4.350 0.000 0.000 0.263 87 E C 0.839 177.424 176.600 -0.025 0.000 1.015 87 E CA -0.140 56.273 56.400 0.021 0.000 0.916 87 E CB 1.309 31.023 29.700 0.023 0.000 0.947 87 E HN 0.453 nan 8.360 nan 0.000 0.440 88 L N 3.662 124.798 121.223 -0.146 0.000 2.127 88 L HA -0.180 4.160 4.340 0.000 0.000 0.211 88 L C 2.004 178.693 176.870 -0.302 0.000 1.089 88 L CA 2.317 56.935 54.840 -0.370 0.000 0.757 88 L CB -0.723 41.082 42.059 -0.423 0.000 0.899 88 L HN 0.657 nan 8.230 nan 0.000 0.434 89 T N -3.005 111.462 114.554 -0.144 0.000 3.144 89 T HA 0.414 4.765 4.350 0.000 0.000 0.249 89 T C 0.826 175.646 174.700 0.199 0.000 1.089 89 T CA 0.096 62.192 62.100 -0.006 0.000 0.989 89 T CB -0.593 68.288 68.868 0.022 0.000 0.992 89 T HN 0.352 nan 8.240 nan 0.000 0.540 90 A N 1.323 124.220 122.820 0.129 0.000 2.477 90 A HA 0.550 4.871 4.320 0.000 0.000 0.246 90 A C 0.159 177.836 177.584 0.155 0.000 1.078 90 A CA -0.372 51.737 52.037 0.120 0.000 0.770 90 A CB 0.176 19.218 19.000 0.069 0.000 1.011 90 A HN 0.386 nan 8.150 nan 0.000 0.494 91 V N 3.390 123.345 119.914 0.069 0.000 2.483 91 V HA 0.529 4.650 4.120 0.000 0.000 0.295 91 V C -0.072 176.002 176.094 -0.033 0.000 1.035 91 V CA -0.370 61.921 62.300 -0.014 0.000 0.896 91 V CB 1.444 33.219 31.823 -0.080 0.000 0.986 91 V HN 0.961 nan 8.190 nan 0.000 0.447 92 M N 4.759 124.314 119.600 -0.075 0.000 2.085 92 M HA 0.720 5.200 4.480 0.000 0.000 0.309 92 M C 0.426 176.630 176.300 -0.160 0.000 0.947 92 M CA 0.980 56.201 55.300 -0.131 0.000 0.918 92 M CB 0.665 33.129 32.600 -0.227 0.000 1.504 92 M HN 1.032 nan 8.290 nan 0.000 0.420 93 G N 3.268 111.991 108.800 -0.128 0.000 2.595 93 G HA2 -0.307 3.654 3.960 0.000 0.000 0.297 93 G HA3 -0.307 3.654 3.960 0.000 0.000 0.297 93 G C 0.349 175.186 174.900 -0.105 0.000 1.181 93 G CA 0.679 45.712 45.100 -0.113 0.000 0.963 93 G HN 1.578 nan 8.290 nan 0.000 0.541 94 S N 0.410 116.042 115.700 -0.114 0.000 2.749 94 S HA 0.635 5.105 4.470 0.000 0.000 0.246 94 S C 0.518 175.020 174.600 -0.164 0.000 1.023 94 S CA 0.518 58.644 58.200 -0.123 0.000 1.012 94 S CB -0.377 62.767 63.200 -0.094 0.000 0.942 94 S HN 1.680 nan 8.310 nan 0.000 0.531 95 I N -2.865 117.603 120.570 -0.171 0.000 3.042 95 I HA 0.694 4.864 4.170 0.000 0.000 0.310 95 I C -1.109 174.895 176.117 -0.187 0.000 1.117 95 I CA -1.841 59.347 61.300 -0.187 0.000 1.003 95 I CB 0.853 38.801 38.000 -0.088 0.000 1.228 95 I HN -0.138 nan 8.210 nan 0.000 0.443 96 Y N 1.861 122.152 120.300 -0.015 0.000 2.610 96 Y HA 0.017 4.567 4.550 0.000 0.000 0.332 96 Y C 1.695 177.606 175.900 0.018 0.000 1.201 96 Y CA 0.440 58.537 58.100 -0.004 0.000 1.465 96 Y CB 0.485 38.940 38.460 -0.008 0.000 1.283 96 Y HN 0.679 nan 8.280 nan 0.000 0.563 97 Q N 2.026 121.938 119.800 0.187 0.000 2.135 97 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 97 Q C 1.221 177.259 176.000 0.062 0.000 0.981 97 Q CA 1.726 57.579 55.803 0.084 0.000 0.856 97 Q CB -0.201 28.536 28.738 -0.001 0.000 0.902 97 Q HN 0.857 nan 8.270 nan 0.000 0.425 98 Y N 0.398 120.656 120.300 -0.069 0.000 2.193 98 Y HA -0.255 4.295 4.550 0.001 0.000 0.285 98 Y C 1.907 177.771 175.900 -0.060 0.000 1.166 98 Y CA 1.426 59.462 58.100 -0.107 0.000 1.181 98 Y CB -0.132 38.273 38.460 -0.091 0.000 0.976 98 Y HN 0.201 nan 8.280 nan 0.000 0.520 99 I N -1.514 119.147 120.570 0.151 0.000 2.286 99 I HA -0.316 3.854 4.170 0.000 0.000 0.245 99 I C 2.587 178.750 176.117 0.077 0.000 1.104 99 I CA 1.440 62.801 61.300 0.101 0.000 1.397 99 I CB -0.591 37.469 38.000 0.099 0.000 1.072 99 I HN 0.320 nan 8.210 nan 0.000 0.417 100 H N 1.149 120.193 119.070 -0.043 0.000 2.352 100 H HA -0.150 4.406 4.556 0.000 0.000 0.299 100 H C 2.322 177.613 175.328 -0.062 0.000 1.097 100 H CA 1.992 58.002 56.048 -0.063 0.000 1.311 100 H CB 0.224 29.932 29.762 -0.090 0.000 1.377 100 H HN 0.110 nan 8.280 nan 0.000 0.504 101 V N 1.339 121.078 119.914 -0.291 0.000 2.287 101 V HA -0.309 3.811 4.120 0.000 0.000 0.248 101 V C 3.039 179.106 176.094 -0.045 0.000 1.053 101 V CA 1.826 63.858 62.300 -0.445 0.000 1.027 101 V CB -1.198 30.174 31.823 -0.752 0.000 0.646 101 V HN 0.600 nan 8.190 nan 0.000 0.447 102 A N -0.814 121.980 122.820 -0.043 0.000 1.898 102 A HA -0.199 4.121 4.320 0.000 0.000 0.216 102 A C 2.106 179.703 177.584 0.022 0.000 1.181 102 A CA 1.853 53.896 52.037 0.010 0.000 0.620 102 A CB -0.696 18.326 19.000 0.037 0.000 0.819 102 A HN 0.490 nan 8.150 nan 0.000 0.442 103 F N 0.655 120.539 119.950 -0.111 0.000 2.069 103 F HA -0.220 4.307 4.527 0.001 0.000 0.298 103 F C 2.556 178.258 175.800 -0.163 0.000 1.113 103 F CA 2.268 60.195 58.000 -0.122 0.000 1.214 103 F CB -0.184 38.714 39.000 -0.171 0.000 0.978 103 F HN 0.193 nan 8.300 nan 0.000 0.474 104 Q N 0.195 119.860 119.800 -0.225 0.000 2.167 104 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 104 Q C 2.552 178.260 176.000 -0.487 0.000 0.970 104 Q CA 1.289 56.927 55.803 -0.275 0.000 0.855 104 Q CB -1.313 27.401 28.738 -0.041 0.000 0.911 104 Q HN 0.577 nan 8.270 nan 0.000 0.438 105 G N 1.077 109.501 108.800 -0.627 0.000 2.442 105 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 105 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 105 G C 1.665 176.181 174.900 -0.640 0.000 1.141 105 G CA 1.485 45.854 45.100 -1.219 0.000 0.763 105 G HN 0.524 nan 8.290 nan 0.000 0.554 106 S N 0.209 115.712 115.700 -0.329 0.000 2.399 106 S HA -0.044 4.426 4.470 0.000 0.000 0.231 106 S C 2.087 176.590 174.600 -0.161 0.000 1.022 106 S CA 1.072 59.165 58.200 -0.178 0.000 0.983 106 S CB -0.509 62.632 63.200 -0.099 0.000 0.803 106 S HN 0.161 nan 8.310 nan 0.000 0.480 107 F N 2.631 122.332 119.950 -0.415 0.000 2.134 107 F HA 0.153 4.680 4.527 0.000 0.000 0.299 107 F C 2.897 178.529 175.800 -0.281 0.000 1.097 107 F CA 0.446 58.298 58.000 -0.246 0.000 1.264 107 F CB -1.127 37.770 39.000 -0.172 0.000 1.001 107 F HN 0.326 nan 8.300 nan 0.000 0.479 108 A N -1.026 121.549 122.820 -0.409 0.000 1.933 108 A HA -0.203 4.117 4.320 0.000 0.000 0.218 108 A C 2.362 179.683 177.584 -0.437 0.000 1.175 108 A CA 1.798 53.334 52.037 -0.834 0.000 0.628 108 A CB -1.497 16.911 19.000 -0.987 0.000 0.814 108 A HN 0.477 nan 8.150 nan 0.000 0.444 109 C N -1.267 117.859 119.300 -0.291 0.000 2.432 109 C HA -0.101 4.359 4.460 0.000 0.000 0.277 109 C C 2.468 177.445 174.990 -0.022 0.000 1.249 109 C CA 1.134 60.099 59.018 -0.088 0.000 1.725 109 C CB -1.255 26.508 27.740 0.039 0.000 2.028 109 C HN 0.691 nan 8.230 nan 0.000 0.477 110 I N 1.137 121.655 120.570 -0.088 0.000 2.315 110 I HA -0.133 4.037 4.170 0.000 0.000 0.248 110 I C 2.346 178.411 176.117 -0.086 0.000 1.117 110 I CA 1.811 63.040 61.300 -0.118 0.000 1.404 110 I CB -0.694 37.155 38.000 -0.252 0.000 1.071 110 I HN 0.282 nan 8.210 nan 0.000 0.419 111 T N -0.144 114.375 114.554 -0.058 0.000 2.684 111 T HA -0.154 4.196 4.350 0.000 0.000 0.267 111 T C 2.025 176.766 174.700 0.070 0.000 1.036 111 T CA 1.920 64.049 62.100 0.048 0.000 1.148 111 T CB -0.538 68.427 68.868 0.161 0.000 0.863 111 T HN 0.207 nan 8.240 nan 0.000 0.436 112 V N 1.368 121.312 119.914 0.050 0.000 2.427 112 V HA -0.062 4.058 4.120 0.000 0.000 0.248 112 V C 2.881 179.008 176.094 0.055 0.000 1.051 112 V CA 1.829 64.171 62.300 0.070 0.000 1.048 112 V CB -1.360 30.514 31.823 0.084 0.000 0.666 112 V HN 0.608 nan 8.190 nan 0.000 0.456 113 G N 0.020 108.851 108.800 0.052 0.000 2.440 113 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 113 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 113 G C 1.580 176.534 174.900 0.090 0.000 1.154 113 G CA 1.060 46.196 45.100 0.059 0.000 0.767 113 G HN 0.472 nan 8.290 nan 0.000 0.552 114 L N 0.003 121.270 121.223 0.073 0.000 2.012 114 L HA -0.099 4.241 4.340 0.000 0.000 0.210 114 L C 2.861 179.859 176.870 0.212 0.000 1.073 114 L CA 1.005 55.921 54.840 0.127 0.000 0.748 114 L CB -0.391 41.664 42.059 -0.006 0.000 0.891 114 L HN 0.232 nan 8.230 nan 0.000 0.431 115 I N -1.317 119.339 120.570 0.143 0.000 2.233 115 I HA -0.206 3.964 4.170 0.000 0.000 0.243 115 I C 2.398 178.541 176.117 0.043 0.000 1.093 115 I CA 0.833 62.210 61.300 0.127 0.000 1.380 115 I CB -0.351 37.597 38.000 -0.087 0.000 1.067 115 I HN -0.029 nan 8.210 nan 0.000 0.413 116 V N 1.232 121.142 119.914 -0.007 0.000 2.427 116 V HA -0.151 3.969 4.120 0.000 0.000 0.248 116 V C 2.633 178.625 176.094 -0.170 0.000 1.051 116 V CA 2.046 64.308 62.300 -0.063 0.000 1.048 116 V CB -1.399 30.412 31.823 -0.021 0.000 0.666 116 V HN 0.567 nan 8.190 nan 0.000 0.456 117 G N -0.111 108.547 108.800 -0.236 0.000 2.440 117 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 117 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 117 G C 1.737 176.039 174.900 -0.995 0.000 1.154 117 G CA 1.145 45.920 45.100 -0.541 0.000 0.767 117 G HN 0.608 nan 8.290 nan 0.000 0.552 118 A N -0.017 122.165 122.820 -1.062 0.000 1.929 118 A HA 0.288 4.608 4.320 0.000 0.000 0.216 118 A C 2.212 179.647 177.584 -0.248 0.000 1.176 118 A CA 0.885 52.503 52.037 -0.698 0.000 0.628 118 A CB -0.183 18.552 19.000 -0.441 0.000 0.816 118 A HN 0.343 nan 8.150 nan 0.000 0.444 119 L N -0.979 120.153 121.223 -0.153 0.000 2.640 119 L HA 0.177 4.517 4.340 0.000 0.000 0.230 119 L C 2.509 179.297 176.870 -0.137 0.000 1.123 119 L CA 0.381 55.155 54.840 -0.109 0.000 0.900 119 L CB 0.019 42.018 42.059 -0.099 0.000 1.146 119 L HN 0.387 nan 8.230 nan 0.000 0.484 120 A N 0.229 122.948 122.820 -0.168 0.000 1.972 120 A HA -0.209 4.111 4.320 0.000 0.000 0.219 120 A C 2.113 179.618 177.584 -0.131 0.000 1.169 120 A CA 1.450 53.388 52.037 -0.166 0.000 0.635 120 A CB -0.216 18.674 19.000 -0.184 0.000 0.810 120 A HN 0.432 nan 8.150 nan 0.000 0.446 121 E N -0.650 119.482 120.200 -0.112 0.000 2.118 121 E HA -0.216 4.134 4.350 0.000 0.000 0.195 121 E C 2.169 178.724 176.600 -0.074 0.000 0.992 121 E CA 1.443 57.793 56.400 -0.083 0.000 0.804 121 E CB -0.100 29.557 29.700 -0.071 0.000 0.741 121 E HN 0.622 nan 8.360 nan 0.000 0.458 122 R N -0.433 120.016 120.500 -0.084 0.000 2.237 122 R HA 0.269 4.610 4.340 0.000 0.000 0.195 122 R C 0.927 177.178 176.300 -0.080 0.000 0.956 122 R CA -0.043 56.008 56.100 -0.081 0.000 1.029 122 R CB 0.642 30.887 30.300 -0.092 0.000 0.972 122 R HN 0.085 nan 8.270 nan 0.000 0.493 123 I N 1.308 121.827 120.570 -0.085 0.000 2.460 123 I HA 0.206 4.376 4.170 0.000 0.000 0.298 123 I C -0.000 176.096 176.117 -0.035 0.000 0.989 123 I CA -1.106 60.154 61.300 -0.065 0.000 1.173 123 I CB 1.311 39.267 38.000 -0.074 0.000 1.338 123 I HN -0.002 nan 8.210 nan 0.000 0.456 124 R N 4.381 124.884 120.500 0.006 0.000 2.679 124 R HA -0.027 4.313 4.340 0.000 0.000 0.268 124 R C 0.456 176.825 176.300 0.114 0.000 1.044 124 R CA 0.092 56.227 56.100 0.058 0.000 1.105 124 R CB 0.459 30.796 30.300 0.063 0.000 0.989 124 R HN 0.676 nan 8.270 nan 0.000 0.447 125 F N 2.077 122.037 119.950 0.017 0.000 2.095 125 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 125 F C 2.488 178.311 175.800 0.039 0.000 1.104 125 F CA 2.357 60.374 58.000 0.027 0.000 1.232 125 F CB -0.512 38.502 39.000 0.024 0.000 0.987 125 F HN 0.702 nan 8.300 nan 0.000 0.475 126 S N 0.132 116.019 115.700 0.312 0.000 2.399 126 S HA -0.131 4.340 4.470 0.000 0.000 0.231 126 S C 2.245 176.947 174.600 0.169 0.000 1.022 126 S CA 0.853 59.167 58.200 0.190 0.000 0.983 126 S CB -1.133 62.126 63.200 0.098 0.000 0.803 126 S HN 0.364 nan 8.310 nan 0.000 0.480 127 A N 1.229 124.139 122.820 0.150 0.000 1.930 127 A HA 0.100 4.420 4.320 0.000 0.000 0.217 127 A C 2.411 180.096 177.584 0.167 0.000 1.175 127 A CA 1.359 53.477 52.037 0.135 0.000 0.627 127 A CB -1.152 17.908 19.000 0.100 0.000 0.815 127 A HN 0.504 nan 8.150 nan 0.000 0.443 128 V N 0.149 120.154 119.914 0.153 0.000 2.427 128 V HA -0.191 3.929 4.120 0.000 0.000 0.248 128 V C 2.383 178.606 176.094 0.216 0.000 1.051 128 V CA 1.956 64.348 62.300 0.154 0.000 1.048 128 V CB -0.434 31.408 31.823 0.031 0.000 0.666 128 V HN 0.591 nan 8.190 nan 0.000 0.456 129 L N -0.707 120.649 121.223 0.222 0.000 2.017 129 L HA -0.177 4.164 4.340 0.000 0.000 0.208 129 L C 2.378 179.345 176.870 0.162 0.000 1.073 129 L CA 1.945 56.907 54.840 0.203 0.000 0.745 129 L CB -0.553 41.633 42.059 0.212 0.000 0.894 129 L HN 0.273 nan 8.230 nan 0.000 0.432 130 I N -0.719 119.944 120.570 0.154 0.000 2.163 130 I HA -0.348 3.822 4.170 0.000 0.000 0.243 130 I C 2.531 178.721 176.117 0.121 0.000 1.085 130 I CA 1.571 62.944 61.300 0.121 0.000 1.347 130 I CB -0.346 37.720 38.000 0.109 0.000 1.044 130 I HN 0.143 nan 8.210 nan 0.000 0.408 131 F N 1.246 121.207 119.950 0.017 0.000 2.095 131 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 131 F C 2.356 178.175 175.800 0.031 0.000 1.104 131 F CA 1.664 59.634 58.000 -0.049 0.000 1.232 131 F CB -0.415 38.486 39.000 -0.166 0.000 0.987 131 F HN -0.230 nan 8.300 nan 0.000 0.475 132 V N -0.186 119.771 119.914 0.072 0.000 2.343 132 V HA -0.311 3.809 4.120 0.000 0.000 0.247 132 V C 2.413 178.523 176.094 0.025 0.000 1.051 132 V CA 1.714 64.043 62.300 0.047 0.000 1.036 132 V CB -0.758 31.157 31.823 0.153 0.000 0.654 132 V HN 0.310 nan 8.190 nan 0.000 0.451 133 V N -0.275 119.667 119.914 0.047 0.000 2.287 133 V HA -0.246 3.874 4.120 0.000 0.000 0.248 133 V C 2.394 178.506 176.094 0.030 0.000 1.053 133 V CA 2.124 64.465 62.300 0.069 0.000 1.027 133 V CB -0.535 31.337 31.823 0.080 0.000 0.646 133 V HN 0.412 nan 8.190 nan 0.000 0.447 134 V N -1.448 118.441 119.914 -0.042 0.000 2.261 134 V HA -0.277 3.843 4.120 0.000 0.000 0.246 134 V C 1.977 178.017 176.094 -0.091 0.000 1.047 134 V CA 2.444 64.702 62.300 -0.071 0.000 1.015 134 V CB -0.722 31.047 31.823 -0.089 0.000 0.642 134 V HN 0.771 nan 8.190 nan 0.000 0.446 135 W N 0.117 121.154 121.300 -0.438 0.000 2.418 135 W HA -0.082 4.578 4.660 -0.001 0.000 0.292 135 W C 2.146 178.597 176.519 -0.112 0.000 1.213 135 W CA 1.379 58.483 57.345 -0.402 0.000 1.283 135 W CB -0.138 28.786 29.460 -0.894 0.000 1.119 135 W HN 0.190 nan 8.180 nan 0.000 0.542 136 L N 0.385 121.656 121.223 0.079 0.000 2.017 136 L HA -0.175 4.166 4.340 0.000 0.000 0.208 136 L C 2.303 179.203 176.870 0.050 0.000 1.073 136 L CA 2.700 57.582 54.840 0.070 0.000 0.745 136 L CB -1.171 40.980 42.059 0.153 0.000 0.894 136 L HN -0.116 nan 8.230 nan 0.000 0.432 137 T N -0.488 114.112 114.554 0.077 0.000 2.812 137 T HA -0.073 4.277 4.350 0.000 0.000 0.264 137 T C 1.733 176.449 174.700 0.025 0.000 1.042 137 T CA 1.778 63.952 62.100 0.124 0.000 1.140 137 T CB -0.161 68.781 68.868 0.124 0.000 0.870 137 T HN 0.278 nan 8.240 nan 0.000 0.445 138 L N -0.190 121.008 121.223 -0.042 0.000 2.590 138 L HA 0.313 4.653 4.340 0.000 0.000 0.227 138 L C 2.303 179.195 176.870 0.038 0.000 1.099 138 L CA 0.238 55.072 54.840 -0.010 0.000 0.872 138 L CB 0.141 42.179 42.059 -0.036 0.000 1.088 138 L HN 0.189 nan 8.230 nan 0.000 0.479 139 S N -1.396 114.157 115.700 -0.246 0.000 2.979 139 S HA -0.015 4.455 4.470 0.000 0.000 0.243 139 S C 1.738 176.030 174.600 -0.512 0.000 1.036 139 S CA -0.109 57.868 58.200 -0.371 0.000 0.846 139 S CB -0.175 62.512 63.200 -0.855 0.000 0.806 139 S HN 0.322 nan 8.310 nan 0.000 0.568 140 Y N 2.460 122.283 120.300 -0.797 0.000 2.097 140 Y HA -0.046 4.504 4.550 0.000 0.000 0.282 140 Y C 1.930 177.713 175.900 -0.195 0.000 1.152 140 Y CA 2.052 59.867 58.100 -0.474 0.000 1.136 140 Y CB -0.396 37.870 38.460 -0.322 0.000 0.975 140 Y HN 0.296 nan 8.280 nan 0.000 0.498 141 I N 0.143 120.717 120.570 0.007 0.000 2.127 141 I HA -0.266 3.905 4.170 0.000 0.000 0.241 141 I C -0.662 175.383 176.117 -0.119 0.000 1.075 141 I CA 1.496 62.822 61.300 0.044 0.000 1.334 141 I CB -1.518 36.572 38.000 0.151 0.000 1.040 141 I HN 0.218 nan 8.210 nan 0.000 0.405 142 P HA -0.143 nan 4.420 nan 0.000 0.216 142 P C 1.861 178.922 177.300 -0.398 0.000 1.153 142 P CA 1.606 64.607 63.100 -0.165 0.000 0.848 142 P CB -0.023 31.636 31.700 -0.068 0.000 0.787 143 I N -0.632 119.593 120.570 -0.575 0.000 2.226 143 I HA -0.241 3.930 4.170 0.000 0.000 0.245 143 I C 2.363 178.134 176.117 -0.577 0.000 1.100 143 I CA 1.415 62.343 61.300 -0.620 0.000 1.374 143 I CB -0.836 36.812 38.000 -0.586 0.000 1.057 143 I HN -0.093 nan 8.210 nan 0.000 0.413 144 A N 0.204 122.650 122.820 -0.624 0.000 1.908 144 A HA -0.326 3.994 4.320 0.000 0.000 0.218 144 A C 2.186 179.505 177.584 -0.441 0.000 1.181 144 A CA 2.256 53.952 52.037 -0.567 0.000 0.627 144 A CB -1.051 17.668 19.000 -0.469 0.000 0.818 144 A HN 0.531 nan 8.150 nan 0.000 0.445 145 H N -0.682 118.116 119.070 -0.453 0.000 2.353 145 H HA -0.051 4.505 4.556 0.001 0.000 0.300 145 H C 1.989 177.124 175.328 -0.321 0.000 1.090 145 H CA 2.257 58.072 56.048 -0.388 0.000 1.327 145 H CB -0.224 29.376 29.762 -0.271 0.000 1.383 145 H HN 0.427 nan 8.280 nan 0.000 0.508 146 M N -0.886 118.519 119.600 -0.325 0.000 2.159 146 M HA -0.135 4.345 4.480 0.000 0.000 0.263 146 M C 1.954 178.055 176.300 -0.331 0.000 1.063 146 M CA 1.227 56.318 55.300 -0.348 0.000 1.110 146 M CB 0.243 32.626 32.600 -0.361 0.000 1.374 146 M HN 0.216 nan 8.290 nan 0.000 0.411 147 V N -2.400 117.284 119.914 -0.384 0.000 2.581 147 V HA -0.095 4.026 4.120 0.000 0.000 0.240 147 V C 1.360 177.350 176.094 -0.174 0.000 1.054 147 V CA 1.059 63.136 62.300 -0.372 0.000 1.076 147 V CB -0.153 31.274 31.823 -0.660 0.000 0.748 147 V HN 0.548 nan 8.190 nan 0.000 0.474 148 W N 0.060 121.271 121.300 -0.148 0.000 2.998 148 W HA 0.500 5.161 4.660 0.001 0.000 0.336 148 W C 1.622 178.120 176.519 -0.035 0.000 1.112 148 W CA 0.285 57.613 57.345 -0.029 0.000 1.682 148 W CB -0.088 29.439 29.460 0.112 0.000 1.065 148 W HN 0.311 nan 8.180 nan 0.000 0.570 149 G N -0.455 108.262 108.800 -0.139 0.000 3.690 149 G HA2 0.383 4.343 3.960 0.000 0.000 0.283 149 G HA3 0.383 4.343 3.960 0.000 0.000 0.283 149 G C 1.101 175.741 174.900 -0.434 0.000 1.057 149 G CA 0.143 45.067 45.100 -0.293 0.000 0.821 149 G HN 0.237 nan 8.290 nan 0.000 0.526 150 G N -0.793 107.846 108.800 -0.268 0.000 2.147 150 G HA2 -0.013 3.947 3.960 0.000 0.000 0.244 150 G HA3 -0.013 3.947 3.960 0.000 0.000 0.244 150 G C 0.806 175.517 174.900 -0.316 0.000 1.005 150 G CA 0.314 45.280 45.100 -0.223 0.000 0.713 150 G HN 0.994 nan 8.290 nan 0.000 0.515 151 G N -1.110 107.420 108.800 -0.450 0.000 2.531 151 G HA2 0.569 4.529 3.960 0.000 0.000 0.253 151 G HA3 0.569 4.529 3.960 0.000 0.000 0.253 151 G C 1.303 176.048 174.900 -0.259 0.000 1.439 151 G CA 0.126 44.996 45.100 -0.382 0.000 1.056 151 G HN 0.872 nan 8.290 nan 0.000 0.555 152 L N -0.564 120.473 121.223 -0.311 0.000 2.013 152 L HA -0.055 4.285 4.340 0.000 0.000 0.212 152 L C 2.710 179.529 176.870 -0.085 0.000 1.073 152 L CA 1.720 56.421 54.840 -0.232 0.000 0.753 152 L CB -0.459 41.373 42.059 -0.380 0.000 0.890 152 L HN 0.467 nan 8.230 nan 0.000 0.432 153 L N -1.256 119.883 121.223 -0.141 0.000 2.068 153 L HA -0.080 4.260 4.340 0.000 0.000 0.204 153 L C 2.685 179.545 176.870 -0.016 0.000 1.076 153 L CA 0.953 55.741 54.840 -0.086 0.000 0.753 153 L CB -0.963 41.014 42.059 -0.136 0.000 0.910 153 L HN 0.344 nan 8.230 nan 0.000 0.439 154 A N 0.516 123.305 122.820 -0.051 0.000 1.917 154 A HA -0.273 4.048 4.320 0.000 0.000 0.219 154 A C 2.517 180.106 177.584 0.008 0.000 1.182 154 A CA 2.272 54.304 52.037 -0.008 0.000 0.633 154 A CB -0.825 18.156 19.000 -0.031 0.000 0.819 154 A HN 0.529 nan 8.150 nan 0.000 0.448 155 S N -1.163 114.535 115.700 -0.003 0.000 2.442 155 S HA -0.181 4.289 4.470 0.000 0.000 0.236 155 S C 1.388 175.944 174.600 -0.073 0.000 1.007 155 S CA 1.556 59.738 58.200 -0.030 0.000 0.965 155 S CB -0.602 62.574 63.200 -0.041 0.000 0.773 155 S HN 0.692 nan 8.310 nan 0.000 0.504 156 H N 0.542 119.591 119.070 -0.034 0.000 2.549 156 H HA 0.452 5.009 4.556 0.001 0.000 0.279 156 H C 1.441 176.782 175.328 0.022 0.000 1.018 156 H CA 0.014 56.060 56.048 -0.004 0.000 1.175 156 H CB 0.367 30.114 29.762 -0.024 0.000 1.485 156 H HN 0.527 nan 8.280 nan 0.000 0.543 157 G N 0.373 109.229 108.800 0.094 0.000 2.149 157 G HA2 -0.220 3.740 3.960 0.000 0.000 0.235 157 G HA3 -0.220 3.740 3.960 0.000 0.000 0.235 157 G C 0.405 175.348 174.900 0.071 0.000 1.018 157 G CA 0.058 45.205 45.100 0.079 0.000 0.728 157 G HN 0.665 nan 8.290 nan 0.000 0.508 158 A N -0.324 122.534 122.820 0.063 0.000 2.498 158 A HA 0.628 4.949 4.320 0.000 0.000 0.239 158 A C 0.588 178.218 177.584 0.077 0.000 1.068 158 A CA 0.306 52.374 52.037 0.051 0.000 0.766 158 A CB 0.343 19.358 19.000 0.025 0.000 1.003 158 A HN 0.979 nan 8.150 nan 0.000 0.497 159 L N 2.440 123.708 121.223 0.075 0.000 2.280 159 L HA 0.470 4.810 4.340 0.000 0.000 0.287 159 L C -0.600 176.440 176.870 0.282 0.000 1.023 159 L CA -0.303 54.590 54.840 0.089 0.000 0.819 159 L CB 1.407 43.370 42.059 -0.159 0.000 1.212 159 L HN 0.738 nan 8.230 nan 0.000 0.420 160 D N 2.164 122.854 120.400 0.483 0.000 2.351 160 D HA 0.073 4.714 4.640 0.000 0.000 0.235 160 D C 0.116 176.837 176.300 0.703 0.000 1.331 160 D CA -0.424 53.888 54.000 0.520 0.000 0.959 160 D CB 0.718 41.696 40.800 0.296 0.000 1.432 160 D HN 0.276 nan 8.370 nan 0.000 0.544 161 F N 2.956 123.237 119.950 0.552 0.000 2.075 161 F HA 0.057 4.585 4.527 0.000 0.000 0.297 161 F C 1.783 177.791 175.800 0.347 0.000 1.113 161 F CA 2.053 60.239 58.000 0.311 0.000 1.218 161 F CB 0.471 39.462 39.000 -0.015 0.000 0.984 161 F HN 0.439 nan 8.300 nan 0.000 0.472 162 A N -1.588 121.606 122.820 0.624 0.000 2.585 162 A HA 0.557 4.878 4.320 0.000 0.000 0.266 162 A C 0.895 178.972 177.584 0.822 0.000 1.178 162 A CA 0.427 52.798 52.037 0.557 0.000 0.966 162 A CB -0.190 19.135 19.000 0.541 0.000 1.170 162 A HN 0.830 nan 8.150 nan 0.000 0.558 163 G N -1.027 108.270 108.800 0.828 0.000 2.247 163 G HA2 0.063 4.023 3.960 0.000 0.000 0.111 163 G HA3 0.063 4.023 3.960 0.000 0.000 0.111 163 G C 1.024 176.198 174.900 0.456 0.000 1.045 163 G CA 0.285 45.739 45.100 0.590 0.000 0.715 163 G HN 1.118 nan 8.290 nan 0.000 0.485 164 G N 0.324 109.412 108.800 0.480 0.000 2.469 164 G HA2 -0.032 3.929 3.960 0.000 0.000 0.219 164 G HA3 -0.032 3.929 3.960 0.000 0.000 0.219 164 G C 1.879 176.967 174.900 0.313 0.000 1.150 164 G CA 2.710 48.081 45.100 0.452 0.000 0.763 164 G HN 1.454 nan 8.290 nan 0.000 0.561 165 T N -1.156 113.502 114.554 0.174 0.000 2.818 165 T HA -0.002 4.348 4.350 0.000 0.000 0.246 165 T C 2.323 177.033 174.700 0.016 0.000 1.036 165 T CA 1.278 63.424 62.100 0.075 0.000 1.160 165 T CB -0.687 68.165 68.868 -0.026 0.000 0.869 165 T HN -0.000 nan 8.240 nan 0.000 0.419 166 V N 1.710 121.532 119.914 -0.153 0.000 2.324 166 V HA -0.145 3.976 4.120 0.000 0.000 0.250 166 V C 2.780 178.901 176.094 0.046 0.000 1.060 166 V CA 1.797 63.933 62.300 -0.274 0.000 1.042 166 V CB -0.854 30.521 31.823 -0.747 0.000 0.650 166 V HN 0.430 nan 8.190 nan 0.000 0.450 167 V N -1.506 118.502 119.914 0.157 0.000 2.484 167 V HA -0.015 4.106 4.120 0.000 0.000 0.236 167 V C 2.311 178.480 176.094 0.125 0.000 1.062 167 V CA 1.173 63.577 62.300 0.173 0.000 1.081 167 V CB -0.686 31.181 31.823 0.072 0.000 0.751 167 V HN 0.486 nan 8.190 nan 0.000 0.484 168 H N 0.015 119.300 119.070 0.358 0.000 2.284 168 H HA 0.078 4.634 4.556 0.000 0.000 0.304 168 H C 2.326 177.850 175.328 0.327 0.000 1.069 168 H CA 1.898 58.169 56.048 0.372 0.000 1.327 168 H CB -0.132 29.875 29.762 0.410 0.000 1.387 168 H HN 0.301 nan 8.280 nan 0.000 0.498 169 I N 0.994 121.796 120.570 0.387 0.000 2.315 169 I HA -0.226 3.944 4.170 0.000 0.000 0.248 169 I C 2.469 178.759 176.117 0.289 0.000 1.117 169 I CA 0.744 62.225 61.300 0.302 0.000 1.404 169 I CB -0.227 37.914 38.000 0.235 0.000 1.071 169 I HN 0.141 nan 8.210 nan 0.000 0.419 170 N N 1.501 120.380 118.700 0.299 0.000 2.036 170 N HA -0.194 4.547 4.740 0.000 0.000 0.195 170 N C 1.836 177.642 175.510 0.493 0.000 1.037 170 N CA 2.164 55.452 53.050 0.396 0.000 0.855 170 N CB -0.186 38.523 38.487 0.370 0.000 1.033 170 N HN 0.357 nan 8.380 nan 0.000 0.423 171 A N 0.218 123.273 122.820 0.391 0.000 1.897 171 A HA 0.156 4.477 4.320 0.000 0.000 0.215 171 A C 2.359 180.000 177.584 0.094 0.000 1.181 171 A CA 1.858 54.010 52.037 0.191 0.000 0.620 171 A CB -1.080 18.032 19.000 0.187 0.000 0.821 171 A HN 0.409 nan 8.150 nan 0.000 0.443 172 A N 0.130 123.091 122.820 0.234 0.000 1.908 172 A HA -0.105 4.215 4.320 0.000 0.000 0.218 172 A C 2.013 179.618 177.584 0.035 0.000 1.181 172 A CA 1.695 53.876 52.037 0.241 0.000 0.627 172 A CB -0.502 18.720 19.000 0.369 0.000 0.818 172 A HN 0.415 nan 8.150 nan 0.000 0.445 173 I N -0.190 120.446 120.570 0.110 0.000 2.252 173 I HA -0.217 3.953 4.170 0.000 0.000 0.245 173 I C 2.935 179.070 176.117 0.030 0.000 1.102 173 I CA 1.445 62.804 61.300 0.099 0.000 1.385 173 I CB -1.582 36.529 38.000 0.186 0.000 1.064 173 I HN 0.371 nan 8.210 nan 0.000 0.414 174 A N 0.962 123.788 122.820 0.010 0.000 1.933 174 A HA -0.085 4.235 4.320 0.000 0.000 0.218 174 A C 2.493 179.925 177.584 -0.253 0.000 1.175 174 A CA 1.785 53.786 52.037 -0.060 0.000 0.628 174 A CB -1.253 17.533 19.000 -0.357 0.000 0.814 174 A HN 0.430 nan 8.150 nan 0.000 0.444 175 G N -0.230 108.157 108.800 -0.689 0.000 2.402 175 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 175 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 175 G C 1.548 175.988 174.900 -0.767 0.000 1.162 175 G CA 1.000 45.275 45.100 -1.375 0.000 0.777 175 G HN 0.425 nan 8.290 nan 0.000 0.539 176 L N 0.212 121.163 121.223 -0.453 0.000 2.083 176 L HA -0.076 4.265 4.340 0.000 0.000 0.209 176 L C 2.994 179.846 176.870 -0.030 0.000 1.083 176 L CA 0.421 55.196 54.840 -0.108 0.000 0.752 176 L CB -0.348 41.711 42.059 0.001 0.000 0.899 176 L HN 0.088 nan 8.230 nan 0.000 0.433 177 V N -0.057 119.855 119.914 -0.003 0.000 2.343 177 V HA -0.212 3.908 4.120 0.000 0.000 0.247 177 V C 2.581 178.639 176.094 -0.060 0.000 1.051 177 V CA 1.985 64.348 62.300 0.105 0.000 1.036 177 V CB -1.229 30.754 31.823 0.267 0.000 0.654 177 V HN 0.576 nan 8.190 nan 0.000 0.451 178 G N -0.333 108.265 108.800 -0.337 0.000 2.421 178 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 178 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 178 G C 1.789 176.443 174.900 -0.411 0.000 1.171 178 G CA 1.029 45.633 45.100 -0.825 0.000 0.775 178 G HN 0.604 nan 8.290 nan 0.000 0.543 179 A N 0.021 122.725 122.820 -0.193 0.000 1.940 179 A HA -0.092 4.228 4.320 0.000 0.000 0.219 179 A C 2.214 179.781 177.584 -0.029 0.000 1.176 179 A CA 1.855 53.851 52.037 -0.068 0.000 0.631 179 A CB -0.674 18.350 19.000 0.040 0.000 0.814 179 A HN 0.581 nan 8.150 nan 0.000 0.446 180 Y N 0.256 120.493 120.300 -0.106 0.000 2.200 180 Y HA 0.087 4.636 4.550 -0.001 0.000 0.290 180 Y C 0.919 176.769 175.900 -0.082 0.000 1.137 180 Y CA 0.738 58.801 58.100 -0.062 0.000 1.163 180 Y CB -0.254 38.195 38.460 -0.018 0.000 0.988 180 Y HN 0.210 nan 8.280 nan 0.000 0.518 196 H N 0.188 119.229 119.070 -0.048 0.000 2.529 196 H HA 0.163 4.720 4.556 0.000 0.000 0.277 196 H C -0.328 174.978 175.328 -0.037 0.000 0.999 196 H CA 0.617 56.642 56.048 -0.037 0.000 1.256 196 H CB 0.672 30.416 29.762 -0.030 0.000 1.402 196 H HN 0.187 nan 8.280 nan 0.000 0.566 197 N N 0.754 119.116 118.700 -0.563 0.000 2.710 197 N HA 0.116 4.857 4.740 0.000 0.000 0.244 197 N C 0.523 175.872 175.510 -0.267 0.000 1.321 197 N CA -0.223 52.569 53.050 -0.430 0.000 0.758 197 N CB 0.506 38.632 38.487 -0.602 0.000 1.284 197 N HN 0.165 nan 8.380 nan 0.000 0.530 198 L N 1.438 122.559 121.223 -0.171 0.000 2.093 198 L HA 0.031 4.371 4.340 0.000 0.000 0.208 198 L C -0.699 176.131 176.870 -0.066 0.000 1.085 198 L CA 1.146 55.911 54.840 -0.125 0.000 0.755 198 L CB -0.899 41.101 42.059 -0.099 0.000 0.904 198 L HN 0.320 nan 8.230 nan 0.000 0.435 199 P HA -0.226 nan 4.420 nan 0.000 0.218 199 P C 1.803 179.133 177.300 0.049 0.000 1.148 199 P CA 1.524 64.630 63.100 0.010 0.000 0.822 199 P CB 0.000 31.688 31.700 -0.020 0.000 0.784 200 M N -0.791 118.787 119.600 -0.037 0.000 2.132 200 M HA -0.135 4.345 4.480 0.000 0.000 0.263 200 M C 1.661 177.920 176.300 -0.069 0.000 1.065 200 M CA 1.785 57.054 55.300 -0.052 0.000 1.122 200 M CB -0.456 32.083 32.600 -0.102 0.000 1.365 200 M HN -0.235 nan 8.290 nan 0.000 0.411 201 V N 0.524 120.361 119.914 -0.128 0.000 2.332 201 V HA -0.296 3.824 4.120 0.000 0.000 0.248 201 V C 2.175 178.236 176.094 -0.055 0.000 1.055 201 V CA 2.192 64.367 62.300 -0.209 0.000 1.038 201 V CB -1.082 30.541 31.823 -0.334 0.000 0.651 201 V HN 0.606 nan 8.190 nan 0.000 0.450 202 F N 1.486 121.369 119.950 -0.113 0.000 2.134 202 F HA -0.212 4.315 4.527 0.000 0.000 0.299 202 F C 2.394 178.173 175.800 -0.034 0.000 1.097 202 F CA 2.281 60.241 58.000 -0.068 0.000 1.264 202 F CB -0.634 38.323 39.000 -0.072 0.000 1.001 202 F HN 0.120 nan 8.300 nan 0.000 0.479 203 T N 0.010 114.519 114.554 -0.075 0.000 2.708 203 T HA -0.112 4.238 4.350 0.000 0.000 0.266 203 T C 2.167 176.755 174.700 -0.187 0.000 1.037 203 T CA 1.454 63.463 62.100 -0.152 0.000 1.146 203 T CB -1.230 67.637 68.868 -0.001 0.000 0.865 203 T HN 0.475 nan 8.240 nan 0.000 0.435 204 G N 1.213 109.952 108.800 -0.103 0.000 2.418 204 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 204 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 204 G C 1.726 176.582 174.900 -0.075 0.000 1.158 204 G CA 1.469 46.531 45.100 -0.064 0.000 0.771 204 G HN 0.458 nan 8.290 nan 0.000 0.545 205 T N 1.781 116.321 114.554 -0.024 0.000 2.684 205 T HA -0.070 4.280 4.350 0.000 0.000 0.267 205 T C 2.801 177.386 174.700 -0.190 0.000 1.036 205 T CA 1.714 63.761 62.100 -0.088 0.000 1.148 205 T CB -0.426 68.398 68.868 -0.072 0.000 0.863 205 T HN 0.389 nan 8.240 nan 0.000 0.436 206 A N 1.044 123.659 122.820 -0.341 0.000 1.902 206 A HA -0.010 4.311 4.320 0.000 0.000 0.217 206 A C 2.321 179.849 177.584 -0.093 0.000 1.181 206 A CA 1.221 53.100 52.037 -0.263 0.000 0.623 206 A CB -0.780 17.939 19.000 -0.468 0.000 0.818 206 A HN 0.527 nan 8.150 nan 0.000 0.443 207 I N -0.415 120.033 120.570 -0.204 0.000 2.226 207 I HA -0.260 3.910 4.170 0.000 0.000 0.245 207 I C 2.380 178.326 176.117 -0.285 0.000 1.100 207 I CA 1.044 62.131 61.300 -0.356 0.000 1.374 207 I CB -0.354 37.274 38.000 -0.621 0.000 1.057 207 I HN 0.297 nan 8.210 nan 0.000 0.413 208 L N -0.429 120.680 121.223 -0.190 0.000 2.042 208 L HA -0.285 4.055 4.340 0.000 0.000 0.210 208 L C 2.707 179.648 176.870 0.118 0.000 1.076 208 L CA 1.635 56.428 54.840 -0.078 0.000 0.749 208 L CB -0.800 41.214 42.059 -0.075 0.000 0.893 208 L HN 0.260 nan 8.230 nan 0.000 0.432 209 Y N 0.638 120.916 120.300 -0.036 0.000 2.097 209 Y HA -0.290 4.260 4.550 0.000 0.000 0.282 209 Y C 2.477 178.420 175.900 0.071 0.000 1.152 209 Y CA 1.572 59.646 58.100 -0.044 0.000 1.136 209 Y CB -0.138 38.269 38.460 -0.088 0.000 0.975 209 Y HN -0.037 nan 8.280 nan 0.000 0.498 210 I N 0.455 121.055 120.570 0.049 0.000 2.179 210 I HA -0.238 3.932 4.170 0.000 0.000 0.242 210 I C 2.727 178.975 176.117 0.217 0.000 1.088 210 I CA 1.703 63.093 61.300 0.150 0.000 1.357 210 I CB -2.108 36.030 38.000 0.229 0.000 1.051 210 I HN 0.427 nan 8.210 nan 0.000 0.409 211 G N -0.337 108.556 108.800 0.155 0.000 2.450 211 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 211 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 211 G C 1.544 176.504 174.900 0.099 0.000 1.130 211 G CA 0.082 45.272 45.100 0.150 0.000 0.760 211 G HN 0.388 nan 8.290 nan 0.000 0.557 212 W N 0.641 121.832 121.300 -0.182 0.000 2.468 212 W HA 0.035 4.695 4.660 0.000 0.000 0.262 212 W C 1.716 178.073 176.519 -0.271 0.000 1.241 212 W CA 0.325 57.507 57.345 -0.272 0.000 1.232 212 W CB -0.365 28.826 29.460 -0.449 0.000 1.124 212 W HN 0.275 nan 8.180 nan 0.000 0.597 213 F N 0.054 120.039 119.950 0.058 0.000 2.186 213 F HA -0.057 4.471 4.527 0.001 0.000 0.299 213 F C 2.661 178.541 175.800 0.134 0.000 1.090 213 F CA 1.693 59.656 58.000 -0.062 0.000 1.307 213 F CB -1.286 37.507 39.000 -0.346 0.000 1.019 213 F HN -0.188 nan 8.300 nan 0.000 0.489 214 G N -0.690 108.290 108.800 0.301 0.000 2.418 214 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 214 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 214 G C 1.643 176.767 174.900 0.373 0.000 1.158 214 G CA 0.584 45.836 45.100 0.253 0.000 0.771 214 G HN 0.333 nan 8.290 nan 0.000 0.545 215 F N 1.860 121.890 119.950 0.133 0.000 2.075 215 F HA -0.076 4.451 4.527 0.000 0.000 0.297 215 F C 2.490 178.513 175.800 0.371 0.000 1.113 215 F CA 1.916 59.966 58.000 0.082 0.000 1.218 215 F CB -0.020 38.715 39.000 -0.441 0.000 0.984 215 F HN 0.053 nan 8.300 nan 0.000 0.472 216 N N 0.356 119.413 118.700 0.594 0.000 2.148 216 N HA -0.014 4.726 4.740 0.000 0.000 0.186 216 N C 1.899 177.702 175.510 0.489 0.000 1.031 216 N CA 1.545 54.928 53.050 0.554 0.000 0.848 216 N CB -0.949 37.821 38.487 0.473 0.000 1.005 216 N HN 0.356 nan 8.380 nan 0.000 0.427 217 A N 0.405 123.489 122.820 0.441 0.000 1.930 217 A HA 0.073 4.393 4.320 0.000 0.000 0.217 217 A C 2.263 180.119 177.584 0.453 0.000 1.175 217 A CA 1.732 54.070 52.037 0.501 0.000 0.627 217 A CB -1.175 18.219 19.000 0.656 0.000 0.815 217 A HN 0.345 nan 8.150 nan 0.000 0.443 218 G N -0.691 108.265 108.800 0.261 0.000 2.462 218 G HA2 -0.131 3.829 3.960 0.000 0.000 0.220 218 G HA3 -0.131 3.829 3.960 0.000 0.000 0.220 218 G C 1.591 176.405 174.900 -0.143 0.000 1.121 218 G CA 1.184 46.245 45.100 -0.065 0.000 0.758 218 G HN 0.470 nan 8.290 nan 0.000 0.559 219 S N 0.648 116.416 115.700 0.115 0.000 2.500 219 S HA 0.089 4.560 4.470 0.000 0.000 0.239 219 S C 2.565 176.955 174.600 -0.350 0.000 0.989 219 S CA 0.750 58.841 58.200 -0.181 0.000 0.951 219 S CB -0.106 62.944 63.200 -0.249 0.000 0.759 219 S HN 0.595 nan 8.310 nan 0.000 0.523 220 A N 0.787 123.628 122.820 0.034 0.000 2.014 220 A HA 0.350 4.670 4.320 0.000 0.000 0.218 220 A C 1.971 179.537 177.584 -0.029 0.000 1.163 220 A CA 1.205 53.308 52.037 0.111 0.000 0.652 220 A CB -0.934 18.242 19.000 0.294 0.000 0.808 220 A HN 0.916 nan 8.150 nan 0.000 0.449 221 G N -2.316 106.429 108.800 -0.092 0.000 2.162 221 G HA2 -0.139 3.821 3.960 0.000 0.000 0.260 221 G HA3 -0.139 3.821 3.960 0.000 0.000 0.260 221 G C 0.417 175.298 174.900 -0.032 0.000 0.976 221 G CA 1.247 46.263 45.100 -0.140 0.000 0.655 221 G HN 1.734 nan 8.290 nan 0.000 0.533 222 T N -2.027 112.569 114.554 0.069 0.000 2.977 222 T HA 0.663 5.013 4.350 0.000 0.000 0.345 222 T C -0.131 174.526 174.700 -0.071 0.000 1.562 222 T CA 0.608 62.726 62.100 0.031 0.000 1.090 222 T CB 0.996 69.848 68.868 -0.027 0.000 1.383 222 T HN 1.731 nan 8.240 nan 0.000 0.484 223 A N 4.197 126.852 122.820 -0.275 0.000 3.063 223 A HA 0.454 4.774 4.320 0.000 0.000 0.263 223 A C 0.669 178.058 177.584 -0.324 0.000 1.736 223 A CA -0.370 51.289 52.037 -0.631 0.000 1.408 223 A CB -1.300 17.275 19.000 -0.709 0.000 1.108 223 A HN 0.798 nan 8.150 nan 0.000 0.621 224 N N -0.474 118.105 118.700 -0.202 0.000 3.061 224 N HA 0.145 4.885 4.740 0.000 0.000 0.346 224 N C 0.863 176.325 175.510 -0.079 0.000 1.392 224 N CA -0.101 52.882 53.050 -0.111 0.000 0.762 224 N CB 0.183 38.636 38.487 -0.057 0.000 1.367 224 N HN 0.200 nan 8.380 nan 0.000 0.607 225 E N -0.197 119.977 120.200 -0.043 0.000 2.274 225 E HA -0.069 4.281 4.350 0.000 0.000 0.194 225 E C 1.337 177.934 176.600 -0.004 0.000 0.996 225 E CA 0.671 57.055 56.400 -0.027 0.000 0.840 225 E CB -0.196 29.491 29.700 -0.021 0.000 0.772 225 E HN 0.554 nan 8.360 nan 0.000 0.491 226 I N 1.943 122.522 120.570 0.015 0.000 2.333 226 I HA -0.063 4.107 4.170 0.000 0.000 0.246 226 I C 2.685 178.839 176.117 0.061 0.000 1.106 226 I CA 1.035 62.352 61.300 0.028 0.000 1.411 226 I CB -1.574 36.475 38.000 0.083 0.000 1.082 226 I HN 0.115 nan 8.210 nan 0.000 0.420 227 A N 1.313 124.196 122.820 0.106 0.000 1.917 227 A HA -0.189 4.132 4.320 0.000 0.000 0.219 227 A C 2.590 180.280 177.584 0.175 0.000 1.182 227 A CA 2.306 54.451 52.037 0.179 0.000 0.633 227 A CB -0.840 18.222 19.000 0.102 0.000 0.819 227 A HN 0.412 nan 8.150 nan 0.000 0.448 228 A N -0.643 122.216 122.820 0.065 0.000 1.902 228 A HA -0.047 4.273 4.320 0.000 0.000 0.217 228 A C 2.153 179.803 177.584 0.110 0.000 1.181 228 A CA 1.796 53.868 52.037 0.058 0.000 0.623 228 A CB -0.633 18.352 19.000 -0.025 0.000 0.818 228 A HN 0.743 nan 8.150 nan 0.000 0.443 229 L N -0.225 121.032 121.223 0.058 0.000 2.017 229 L HA -0.054 4.286 4.340 0.000 0.000 0.208 229 L C 2.664 179.561 176.870 0.046 0.000 1.073 229 L CA 2.286 57.145 54.840 0.031 0.000 0.745 229 L CB -0.827 41.215 42.059 -0.030 0.000 0.894 229 L HN 0.334 nan 8.230 nan 0.000 0.432 230 A N -1.174 121.664 122.820 0.031 0.000 1.933 230 A HA -0.243 4.077 4.320 0.000 0.000 0.218 230 A C 2.243 179.945 177.584 0.196 0.000 1.175 230 A CA 1.788 53.846 52.037 0.035 0.000 0.628 230 A CB -1.120 17.904 19.000 0.039 0.000 0.814 230 A HN 0.518 nan 8.150 nan 0.000 0.444 231 F N 0.571 120.625 119.950 0.173 0.000 2.075 231 F HA -0.161 4.366 4.527 0.001 0.000 0.297 231 F C 2.393 178.340 175.800 0.245 0.000 1.113 231 F CA 2.003 60.172 58.000 0.282 0.000 1.218 231 F CB -0.445 38.685 39.000 0.218 0.000 0.984 231 F HN 0.033 nan 8.300 nan 0.000 0.472 232 V N 0.744 120.926 119.914 0.447 0.000 2.287 232 V HA -0.342 3.778 4.120 0.000 0.000 0.248 232 V C 2.164 178.366 176.094 0.180 0.000 1.053 232 V CA 2.144 64.619 62.300 0.291 0.000 1.027 232 V CB -0.862 31.063 31.823 0.170 0.000 0.646 232 V HN 0.355 nan 8.190 nan 0.000 0.447 233 N N 0.004 118.774 118.700 0.116 0.000 2.205 233 N HA -0.138 4.603 4.740 0.000 0.000 0.186 233 N C 1.869 177.394 175.510 0.025 0.000 1.015 233 N CA 1.851 54.929 53.050 0.047 0.000 0.862 233 N CB -0.522 37.969 38.487 0.006 0.000 0.986 233 N HN 0.488 nan 8.380 nan 0.000 0.429 234 T N 0.673 115.245 114.554 0.030 0.000 2.737 234 T HA -0.025 4.325 4.350 0.000 0.000 0.265 234 T C 2.185 176.881 174.700 -0.006 0.000 1.038 234 T CA 0.799 62.840 62.100 -0.098 0.000 1.144 234 T CB -0.299 68.380 68.868 -0.315 0.000 0.866 234 T HN -0.041 nan 8.240 nan 0.000 0.434 235 V N 1.433 121.466 119.914 0.198 0.000 2.287 235 V HA -0.174 3.947 4.120 0.000 0.000 0.248 235 V C 2.668 178.849 176.094 0.144 0.000 1.053 235 V CA 1.547 64.017 62.300 0.284 0.000 1.027 235 V CB -0.843 31.172 31.823 0.320 0.000 0.646 235 V HN 0.309 nan 8.190 nan 0.000 0.447 236 V N 0.122 120.090 119.914 0.091 0.000 2.307 236 V HA -0.201 3.919 4.120 0.000 0.000 0.245 236 V C 2.673 178.763 176.094 -0.007 0.000 1.045 236 V CA 1.987 64.310 62.300 0.038 0.000 1.024 236 V CB -1.090 30.749 31.823 0.027 0.000 0.651 236 V HN 0.554 nan 8.190 nan 0.000 0.449 237 A N -0.255 122.545 122.820 -0.032 0.000 1.930 237 A HA -0.179 4.141 4.320 0.000 0.000 0.217 237 A C 2.382 179.912 177.584 -0.091 0.000 1.175 237 A CA 2.256 54.250 52.037 -0.071 0.000 0.627 237 A CB -0.887 18.058 19.000 -0.092 0.000 0.815 237 A HN 0.506 nan 8.150 nan 0.000 0.443 238 T N 0.507 115.002 114.554 -0.099 0.000 2.708 238 T HA -0.064 4.286 4.350 0.000 0.000 0.266 238 T C 2.239 176.876 174.700 -0.104 0.000 1.037 238 T CA 1.696 63.716 62.100 -0.133 0.000 1.146 238 T CB -0.484 68.326 68.868 -0.098 0.000 0.865 238 T HN 0.588 nan 8.240 nan 0.000 0.435 239 A N 1.465 124.253 122.820 -0.054 0.000 1.902 239 A HA 0.170 4.490 4.320 0.000 0.000 0.217 239 A C 2.649 180.213 177.584 -0.033 0.000 1.181 239 A CA 1.817 53.828 52.037 -0.043 0.000 0.623 239 A CB -1.104 17.892 19.000 -0.006 0.000 0.818 239 A HN 0.513 nan 8.150 nan 0.000 0.443 240 A N -0.379 122.423 122.820 -0.031 0.000 1.972 240 A HA 0.207 4.528 4.320 0.000 0.000 0.219 240 A C 2.414 179.995 177.584 -0.005 0.000 1.169 240 A CA 1.940 53.962 52.037 -0.025 0.000 0.635 240 A CB -0.764 18.213 19.000 -0.039 0.000 0.810 240 A HN 0.989 nan 8.150 nan 0.000 0.446 241 A N -0.273 122.539 122.820 -0.013 0.000 1.930 241 A HA 0.089 4.410 4.320 0.000 0.000 0.215 241 A C 2.052 179.680 177.584 0.073 0.000 1.176 241 A CA 1.087 53.141 52.037 0.029 0.000 0.632 241 A CB -0.487 18.504 19.000 -0.014 0.000 0.819 241 A HN 0.450 nan 8.150 nan 0.000 0.445 242 I N -0.024 120.548 120.570 0.003 0.000 2.163 242 I HA -0.300 3.871 4.170 0.000 0.000 0.243 242 I C 2.360 178.527 176.117 0.083 0.000 1.085 242 I CA 1.351 62.655 61.300 0.006 0.000 1.347 242 I CB -0.321 37.644 38.000 -0.058 0.000 1.044 242 I HN 0.299 nan 8.210 nan 0.000 0.408 243 L N 0.076 121.335 121.223 0.061 0.000 2.056 243 L HA -0.119 4.221 4.340 0.000 0.000 0.207 243 L C 2.690 179.649 176.870 0.149 0.000 1.078 243 L CA 1.507 56.395 54.840 0.081 0.000 0.749 243 L CB -1.237 40.837 42.059 0.025 0.000 0.901 243 L HN 0.329 nan 8.230 nan 0.000 0.433 244 G N -0.629 108.255 108.800 0.139 0.000 2.421 244 G HA2 -0.288 3.673 3.960 0.000 0.000 0.216 244 G HA3 -0.288 3.673 3.960 0.000 0.000 0.216 244 G C 1.374 176.437 174.900 0.272 0.000 1.171 244 G CA 0.259 45.466 45.100 0.179 0.000 0.775 244 G HN 0.400 nan 8.290 nan 0.000 0.543 245 W N 1.204 122.558 121.300 0.091 0.000 2.355 245 W HA -0.081 4.579 4.660 0.000 0.000 0.309 245 W C 2.198 178.782 176.519 0.108 0.000 1.206 245 W CA 0.929 58.326 57.345 0.087 0.000 1.284 245 W CB -0.405 29.081 29.460 0.043 0.000 1.145 245 W HN 0.108 nan 8.180 nan 0.000 0.502 246 I N 0.289 121.118 120.570 0.433 0.000 2.226 246 I HA -0.292 3.878 4.170 0.000 0.000 0.245 246 I C 2.445 178.741 176.117 0.298 0.000 1.100 246 I CA 1.428 62.920 61.300 0.320 0.000 1.374 246 I CB -1.845 36.275 38.000 0.201 0.000 1.057 246 I HN -0.091 nan 8.210 nan 0.000 0.413 247 F N 2.062 122.109 119.950 0.161 0.000 2.134 247 F HA -0.120 4.407 4.527 0.000 0.000 0.299 247 F C 2.407 178.351 175.800 0.241 0.000 1.097 247 F CA 1.785 59.887 58.000 0.170 0.000 1.264 247 F CB -0.706 38.348 39.000 0.090 0.000 1.001 247 F HN 0.043 nan 8.300 nan 0.000 0.479 248 G N -0.593 108.282 108.800 0.124 0.000 2.408 248 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 248 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 248 G C 1.569 176.421 174.900 -0.081 0.000 1.150 248 G CA 0.770 45.844 45.100 -0.042 0.000 0.776 248 G HN 0.485 nan 8.290 nan 0.000 0.542 249 E N -0.698 119.520 120.200 0.029 0.000 2.072 249 E HA -0.139 4.212 4.350 0.000 0.000 0.191 249 E C 2.030 178.654 176.600 0.040 0.000 0.985 249 E CA 0.726 57.163 56.400 0.061 0.000 0.801 249 E CB -0.259 29.567 29.700 0.210 0.000 0.750 249 E HN 0.586 nan 8.360 nan 0.000 0.452 250 W N 1.133 122.369 121.300 -0.107 0.000 2.338 250 W HA -0.206 4.454 4.660 0.000 0.000 0.304 250 W C 2.061 178.454 176.519 -0.210 0.000 1.212 250 W CA 2.350 59.612 57.345 -0.138 0.000 1.264 250 W CB -0.350 29.032 29.460 -0.129 0.000 1.142 250 W HN 0.127 nan 8.180 nan 0.000 0.512 251 A N 0.016 122.637 122.820 -0.332 0.000 1.897 251 A HA -0.090 4.230 4.320 0.000 0.000 0.215 251 A C 2.065 179.403 177.584 -0.410 0.000 1.181 251 A CA 1.740 53.447 52.037 -0.550 0.000 0.620 251 A CB -0.841 17.897 19.000 -0.436 0.000 0.821 251 A HN 0.394 nan 8.150 nan 0.000 0.443 252 L N -1.979 119.087 121.223 -0.261 0.000 2.202 252 L HA 0.066 4.406 4.340 0.000 0.000 0.205 252 L C 2.513 179.279 176.870 -0.173 0.000 1.083 252 L CA 0.818 55.547 54.840 -0.185 0.000 0.790 252 L CB -0.172 41.811 42.059 -0.126 0.000 0.942 252 L HN 0.244 nan 8.230 nan 0.000 0.452 253 R N -0.780 119.624 120.500 -0.159 0.000 2.365 253 R HA 0.229 4.569 4.340 0.000 0.000 0.223 253 R C 1.275 177.488 176.300 -0.146 0.000 0.899 253 R CA 0.591 56.622 56.100 -0.115 0.000 1.059 253 R CB 0.833 31.105 30.300 -0.048 0.000 1.086 253 R HN 0.383 nan 8.270 nan 0.000 0.522 254 G N 1.976 110.621 108.800 -0.259 0.000 2.258 254 G HA2 -0.319 3.641 3.960 0.000 0.000 0.233 254 G HA3 -0.319 3.641 3.960 0.000 0.000 0.233 254 G C -0.023 174.772 174.900 -0.175 0.000 1.006 254 G CA 0.467 45.384 45.100 -0.305 0.000 0.620 254 G HN 0.380 nan 8.290 nan 0.000 0.511 255 K N -0.279 120.107 120.400 -0.023 0.000 2.587 255 K HA 0.615 4.935 4.320 0.000 0.000 0.276 255 K C -3.419 173.264 176.600 0.138 0.000 0.956 255 K CA -1.642 54.725 56.287 0.133 0.000 0.857 255 K CB 2.629 35.181 32.500 0.088 0.000 1.431 255 K HN 0.064 nan 8.250 nan 0.000 0.420 256 P HA 0.065 nan 4.420 nan 0.000 0.274 256 P C -0.728 176.623 177.300 0.085 0.000 1.246 256 P CA -0.268 62.915 63.100 0.138 0.000 0.795 256 P CB 1.127 32.901 31.700 0.123 0.000 1.006 257 S N 0.065 115.810 115.700 0.075 0.000 2.627 257 S HA 0.284 4.754 4.470 0.000 0.000 0.283 257 S C 0.697 175.295 174.600 -0.003 0.000 1.127 257 S CA -0.716 57.503 58.200 0.031 0.000 0.863 257 S CB 1.120 64.342 63.200 0.036 0.000 1.121 257 S HN 0.248 nan 8.310 nan 0.000 0.479 258 L N 1.258 122.463 121.223 -0.030 0.000 2.046 258 L HA 0.104 4.444 4.340 0.000 0.000 0.208 258 L C 2.087 178.919 176.870 -0.063 0.000 1.077 258 L CA 1.799 56.609 54.840 -0.051 0.000 0.747 258 L CB -1.061 40.956 42.059 -0.070 0.000 0.896 258 L HN 0.844 nan 8.230 nan 0.000 0.432 259 L N -0.181 121.000 121.223 -0.070 0.000 2.083 259 L HA -0.005 4.335 4.340 0.000 0.000 0.209 259 L C 2.315 179.074 176.870 -0.185 0.000 1.083 259 L CA 1.990 56.765 54.840 -0.108 0.000 0.752 259 L CB -1.440 40.570 42.059 -0.081 0.000 0.899 259 L HN 0.321 nan 8.230 nan 0.000 0.433 260 G N -0.999 107.724 108.800 -0.128 0.000 2.446 260 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 260 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 260 G C 1.621 176.196 174.900 -0.541 0.000 1.168 260 G CA 0.921 45.867 45.100 -0.258 0.000 0.771 260 G HN 0.625 nan 8.290 nan 0.000 0.551 261 A N -0.031 122.651 122.820 -0.231 0.000 1.908 261 A HA -0.107 4.213 4.320 0.000 0.000 0.218 261 A C 2.605 180.040 177.584 -0.247 0.000 1.181 261 A CA 1.917 53.843 52.037 -0.186 0.000 0.627 261 A CB -1.032 17.927 19.000 -0.068 0.000 0.818 261 A HN 0.445 nan 8.150 nan 0.000 0.445 262 C N -0.736 118.440 119.300 -0.207 0.000 2.446 262 C HA -0.039 4.421 4.460 0.000 0.000 0.277 262 C C 3.253 178.066 174.990 -0.294 0.000 1.275 262 C CA 1.200 60.118 59.018 -0.167 0.000 1.727 262 C CB -1.263 26.451 27.740 -0.043 0.000 2.010 262 C HN 0.619 nan 8.230 nan 0.000 0.486 263 S N 0.834 116.220 115.700 -0.525 0.000 2.368 263 S HA -0.063 4.407 4.470 0.000 0.000 0.225 263 S C 2.112 176.169 174.600 -0.905 0.000 1.030 263 S CA 1.506 59.227 58.200 -0.798 0.000 0.999 263 S CB -0.704 61.709 63.200 -1.313 0.000 0.844 263 S HN 0.761 nan 8.310 nan 0.000 0.459 264 G N 1.497 109.726 108.800 -0.952 0.000 2.418 264 G HA2 -0.088 3.872 3.960 0.000 0.000 0.217 264 G HA3 -0.088 3.872 3.960 0.000 0.000 0.217 264 G C 1.570 176.346 174.900 -0.207 0.000 1.158 264 G CA 0.951 45.871 45.100 -0.300 0.000 0.771 264 G HN 0.574 nan 8.290 nan 0.000 0.545 265 A N 1.161 123.815 122.820 -0.276 0.000 1.865 265 A HA -0.035 4.285 4.320 0.000 0.000 0.217 265 A C 2.351 179.726 177.584 -0.348 0.000 1.191 265 A CA 1.583 53.448 52.037 -0.288 0.000 0.623 265 A CB -0.348 18.470 19.000 -0.303 0.000 0.826 265 A HN 0.280 nan 8.150 nan 0.000 0.444 266 I N 0.018 120.376 120.570 -0.354 0.000 2.226 266 I HA -0.258 3.912 4.170 0.000 0.000 0.245 266 I C 2.944 178.810 176.117 -0.418 0.000 1.100 266 I CA 1.467 62.516 61.300 -0.419 0.000 1.374 266 I CB -1.713 36.069 38.000 -0.363 0.000 1.057 266 I HN 0.378 nan 8.210 nan 0.000 0.413 267 A N 1.155 123.821 122.820 -0.256 0.000 1.883 267 A HA -0.129 4.191 4.320 0.000 0.000 0.217 267 A C 2.534 180.011 177.584 -0.177 0.000 1.186 267 A CA 2.038 54.000 52.037 -0.126 0.000 0.624 267 A CB -1.366 17.715 19.000 0.136 0.000 0.822 267 A HN 0.430 nan 8.150 nan 0.000 0.444 268 G N -0.422 108.260 108.800 -0.196 0.000 2.402 268 G HA2 -0.118 3.842 3.960 0.000 0.000 0.216 268 G HA3 -0.118 3.842 3.960 0.000 0.000 0.216 268 G C 1.567 176.261 174.900 -0.344 0.000 1.162 268 G CA 0.993 45.967 45.100 -0.210 0.000 0.777 268 G HN 0.425 nan 8.290 nan 0.000 0.539 269 L N 0.158 121.029 121.223 -0.587 0.000 2.046 269 L HA -0.090 4.250 4.340 0.000 0.000 0.208 269 L C 3.009 179.414 176.870 -0.773 0.000 1.077 269 L CA 0.543 54.753 54.840 -1.050 0.000 0.747 269 L CB -0.457 40.439 42.059 -1.938 0.000 0.896 269 L HN 0.091 nan 8.230 nan 0.000 0.432 270 V N 0.012 119.571 119.914 -0.592 0.000 2.295 270 V HA -0.212 3.908 4.120 0.000 0.000 0.246 270 V C 2.621 178.635 176.094 -0.134 0.000 1.049 270 V CA 2.039 64.102 62.300 -0.395 0.000 1.024 270 V CB -1.317 30.176 31.823 -0.549 0.000 0.648 270 V HN 0.573 nan 8.190 nan 0.000 0.447 271 G N -0.869 107.857 108.800 -0.123 0.000 2.440 271 G HA2 -0.234 3.727 3.960 0.000 0.000 0.218 271 G HA3 -0.234 3.727 3.960 0.000 0.000 0.218 271 G C 1.690 176.609 174.900 0.033 0.000 1.154 271 G CA 1.215 46.303 45.100 -0.020 0.000 0.767 271 G HN 0.393 nan 8.290 nan 0.000 0.552 272 V N 0.593 120.500 119.914 -0.012 0.000 3.306 272 V HA -0.020 4.100 4.120 0.000 0.000 0.264 272 V C 2.867 179.064 176.094 0.172 0.000 1.149 272 V CA 1.976 64.299 62.300 0.038 0.000 1.143 272 V CB -0.469 31.328 31.823 -0.044 0.000 0.767 272 V HN 0.387 nan 8.190 nan 0.000 0.476 273 T N 1.944 116.663 114.554 0.275 0.000 2.597 273 T HA -0.128 4.223 4.350 0.000 0.000 0.267 273 T C -0.176 174.839 174.700 0.525 0.000 1.053 273 T CA 2.315 64.739 62.100 0.540 0.000 1.165 273 T CB -1.226 68.129 68.868 0.812 0.000 0.863 273 T HN 0.541 nan 8.240 nan 0.000 0.427 274 P HA 0.116 nan 4.420 nan 0.000 0.223 274 P C 0.933 178.521 177.300 0.479 0.000 1.151 274 P CA 1.065 64.450 63.100 0.474 0.000 0.787 274 P CB -0.064 31.865 31.700 0.383 0.000 0.788 275 A N -0.237 122.791 122.820 0.347 0.000 2.115 275 A HA -0.005 4.316 4.320 0.000 0.000 0.211 275 A C 2.393 180.047 177.584 0.117 0.000 1.169 275 A CA 0.752 52.966 52.037 0.296 0.000 0.787 275 A CB -1.607 17.518 19.000 0.207 0.000 0.858 275 A HN 0.387 nan 8.150 nan 0.000 0.474 276 C N -1.280 118.038 119.300 0.030 0.000 2.401 276 C HA 0.030 4.491 4.460 0.000 0.000 0.276 276 C C 2.450 177.179 174.990 -0.436 0.000 1.233 276 C CA 0.841 59.785 59.018 -0.124 0.000 1.753 276 C CB -1.708 26.028 27.740 -0.007 0.000 2.029 276 C HN 0.505 nan 8.230 nan 0.000 0.478 277 G N -2.044 106.073 108.800 -1.139 0.000 2.920 277 G HA2 0.236 4.196 3.960 0.000 0.000 0.208 277 G HA3 0.236 4.196 3.960 0.000 0.000 0.208 277 G C 0.869 175.283 174.900 -0.810 0.000 1.159 277 G CA 0.404 44.582 45.100 -1.537 0.000 0.784 277 G HN 0.677 nan 8.290 nan 0.000 0.535 278 Y N -0.184 119.999 120.300 -0.196 0.000 2.430 278 Y HA 0.364 4.914 4.550 0.000 0.000 0.254 278 Y C 1.204 177.094 175.900 -0.017 0.000 1.088 278 Y CA -1.502 56.578 58.100 -0.032 0.000 1.267 278 Y CB 0.253 38.755 38.460 0.070 0.000 1.204 278 Y HN 0.219 nan 8.280 nan 0.000 0.515 279 I N -1.901 118.733 120.570 0.107 0.000 2.947 279 I HA 0.897 5.067 4.170 0.000 0.000 0.314 279 I C 0.639 176.784 176.117 0.047 0.000 1.028 279 I CA -1.222 60.139 61.300 0.101 0.000 1.077 279 I CB 1.390 39.457 38.000 0.111 0.000 1.274 279 I HN -0.012 nan 8.210 nan 0.000 0.485 280 G N 0.902 109.737 108.800 0.059 0.000 2.547 280 G HA2 0.409 4.369 3.960 0.000 0.000 0.291 280 G HA3 0.409 4.369 3.960 0.000 0.000 0.291 280 G C 0.888 175.796 174.900 0.013 0.000 1.211 280 G CA -0.168 44.953 45.100 0.035 0.000 0.950 280 G HN 0.904 nan 8.290 nan 0.000 0.504 281 V N -1.094 118.826 119.914 0.010 0.000 2.490 281 V HA -0.002 4.118 4.120 0.000 0.000 0.250 281 V C 2.563 178.645 176.094 -0.021 0.000 1.061 281 V CA 2.235 64.534 62.300 -0.000 0.000 1.064 281 V CB -1.303 30.528 31.823 0.013 0.000 0.670 281 V HN 0.750 nan 8.190 nan 0.000 0.461 282 G N 0.945 109.740 108.800 -0.008 0.000 2.446 282 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 282 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 282 G C 1.584 176.427 174.900 -0.095 0.000 1.168 282 G CA 0.957 46.046 45.100 -0.019 0.000 0.771 282 G HN 0.759 nan 8.290 nan 0.000 0.551 283 G N 1.079 109.813 108.800 -0.109 0.000 2.442 283 G HA2 0.024 3.984 3.960 0.000 0.000 0.219 283 G HA3 0.024 3.984 3.960 0.000 0.000 0.219 283 G C 2.049 176.718 174.900 -0.386 0.000 1.141 283 G CA 1.559 46.417 45.100 -0.404 0.000 0.763 283 G HN 0.673 nan 8.290 nan 0.000 0.554 284 A N 0.372 123.086 122.820 -0.177 0.000 1.933 284 A HA 0.079 4.400 4.320 0.000 0.000 0.218 284 A C 2.378 179.884 177.584 -0.131 0.000 1.175 284 A CA 1.476 53.437 52.037 -0.127 0.000 0.628 284 A CB -0.399 18.566 19.000 -0.058 0.000 0.814 284 A HN 0.413 nan 8.150 nan 0.000 0.444 285 L N -0.533 120.618 121.223 -0.120 0.000 2.056 285 L HA -0.107 4.233 4.340 0.000 0.000 0.207 285 L C 2.324 179.119 176.870 -0.126 0.000 1.078 285 L CA 1.377 56.159 54.840 -0.097 0.000 0.749 285 L CB -0.200 41.818 42.059 -0.068 0.000 0.901 285 L HN 0.434 nan 8.230 nan 0.000 0.433 286 I N -0.470 119.980 120.570 -0.199 0.000 2.202 286 I HA -0.313 3.857 4.170 0.000 0.000 0.242 286 I C 2.365 178.358 176.117 -0.207 0.000 1.091 286 I CA 1.336 62.508 61.300 -0.214 0.000 1.368 286 I CB -0.249 37.566 38.000 -0.307 0.000 1.058 286 I HN 0.202 nan 8.210 nan 0.000 0.410 287 I N 0.917 121.318 120.570 -0.282 0.000 2.208 287 I HA -0.248 3.923 4.170 0.000 0.000 0.245 287 I C 2.685 178.746 176.117 -0.094 0.000 1.097 287 I CA 1.698 62.895 61.300 -0.170 0.000 1.363 287 I CB -0.912 36.991 38.000 -0.162 0.000 1.051 287 I HN 0.293 nan 8.210 nan 0.000 0.413 288 G N 0.536 109.278 108.800 -0.096 0.000 2.459 288 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 288 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 288 G C 1.701 176.581 174.900 -0.034 0.000 1.183 288 G CA 1.055 46.116 45.100 -0.066 0.000 0.776 288 G HN 0.241 nan 8.290 nan 0.000 0.552 289 V N 0.477 120.368 119.914 -0.039 0.000 2.287 289 V HA -0.194 3.926 4.120 0.000 0.000 0.248 289 V C 3.080 179.175 176.094 0.002 0.000 1.053 289 V CA 1.682 63.974 62.300 -0.014 0.000 1.027 289 V CB -0.554 31.249 31.823 -0.034 0.000 0.646 289 V HN 0.251 nan 8.190 nan 0.000 0.447 290 V N 0.270 120.176 119.914 -0.015 0.000 2.343 290 V HA -0.266 3.854 4.120 0.000 0.000 0.247 290 V C 2.702 178.801 176.094 0.009 0.000 1.051 290 V CA 2.041 64.338 62.300 -0.005 0.000 1.036 290 V CB -1.212 30.607 31.823 -0.007 0.000 0.654 290 V HN 0.566 nan 8.190 nan 0.000 0.451 291 A N 0.578 123.405 122.820 0.011 0.000 1.902 291 A HA -0.105 4.216 4.320 0.000 0.000 0.217 291 A C 2.433 180.067 177.584 0.083 0.000 1.181 291 A CA 2.004 54.060 52.037 0.032 0.000 0.623 291 A CB -1.258 17.743 19.000 0.002 0.000 0.818 291 A HN 0.531 nan 8.150 nan 0.000 0.443 292 G N -0.296 108.567 108.800 0.105 0.000 2.418 292 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 292 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 292 G C 1.555 176.524 174.900 0.116 0.000 1.158 292 G CA 1.076 46.313 45.100 0.228 0.000 0.771 292 G HN 0.436 nan 8.290 nan 0.000 0.545 293 L N 0.528 121.775 121.223 0.040 0.000 2.109 293 L HA 0.067 4.407 4.340 0.000 0.000 0.207 293 L C 3.367 180.215 176.870 -0.036 0.000 1.086 293 L CA 0.859 55.682 54.840 -0.028 0.000 0.760 293 L CB -0.326 41.744 42.059 0.018 0.000 0.910 293 L HN 0.282 nan 8.230 nan 0.000 0.437 294 A N 0.356 123.180 122.820 0.007 0.000 1.933 294 A HA -0.107 4.214 4.320 0.000 0.000 0.218 294 A C 2.401 180.060 177.584 0.126 0.000 1.175 294 A CA 1.653 53.720 52.037 0.050 0.000 0.628 294 A CB -1.220 17.794 19.000 0.023 0.000 0.814 294 A HN 0.428 nan 8.150 nan 0.000 0.444 295 G N -0.069 108.776 108.800 0.076 0.000 2.421 295 G HA2 -0.169 3.791 3.960 0.000 0.000 0.216 295 G HA3 -0.169 3.791 3.960 0.000 0.000 0.216 295 G C 1.497 176.245 174.900 -0.253 0.000 1.171 295 G CA 1.241 46.414 45.100 0.121 0.000 0.775 295 G HN 0.509 nan 8.290 nan 0.000 0.543 296 L N -0.491 120.211 121.223 -0.867 0.000 2.046 296 L HA 0.047 4.387 4.340 0.000 0.000 0.208 296 L C 2.453 179.116 176.870 -0.344 0.000 1.077 296 L CA 1.834 56.020 54.840 -1.091 0.000 0.747 296 L CB -0.724 40.572 42.059 -1.273 0.000 0.896 296 L HN 0.458 nan 8.230 nan 0.000 0.432 297 W N 0.409 121.530 121.300 -0.299 0.000 2.335 297 W HA -0.134 4.526 4.660 0.000 0.000 0.311 297 W C 2.257 178.724 176.519 -0.086 0.000 1.213 297 W CA 2.465 59.721 57.345 -0.149 0.000 1.274 297 W CB -0.740 28.663 29.460 -0.096 0.000 1.148 297 W HN 0.233 nan 8.180 nan 0.000 0.498 298 G N 0.457 109.359 108.800 0.170 0.000 2.446 298 G HA2 -0.331 3.629 3.960 0.000 0.000 0.217 298 G HA3 -0.331 3.629 3.960 0.000 0.000 0.217 298 G C 1.440 176.287 174.900 -0.089 0.000 1.168 298 G CA 2.362 47.493 45.100 0.052 0.000 0.771 298 G HN 0.542 nan 8.290 nan 0.000 0.551 299 V N -1.490 118.411 119.914 -0.021 0.000 2.667 299 V HA -0.044 4.076 4.120 0.000 0.000 0.252 299 V C 2.524 178.573 176.094 -0.074 0.000 1.065 299 V CA 2.411 64.721 62.300 0.016 0.000 1.083 299 V CB -1.048 30.872 31.823 0.161 0.000 0.692 299 V HN 0.237 nan 8.190 nan 0.000 0.468 300 T N 0.847 115.295 114.554 -0.176 0.000 2.904 300 T HA 0.144 4.495 4.350 0.000 0.000 0.267 300 T C 1.043 175.587 174.700 -0.260 0.000 1.059 300 T CA 1.056 63.034 62.100 -0.203 0.000 1.137 300 T CB -0.266 68.462 68.868 -0.234 0.000 0.879 300 T HN 0.314 nan 8.240 nan 0.000 0.467 312 C N 0.359 119.676 119.300 0.029 0.000 2.511 312 C HA -0.010 4.451 4.460 0.000 0.000 0.277 312 C C 1.910 176.962 174.990 0.104 0.000 1.451 312 C CA 0.961 60.030 59.018 0.084 0.000 1.735 312 C CB -1.214 26.682 27.740 0.260 0.000 1.704 312 C HN 0.396 nan 8.230 nan 0.000 0.571 313 D N 0.434 120.879 120.400 0.074 0.000 2.264 313 D HA -0.078 4.562 4.640 0.000 0.000 0.208 313 D C 2.011 178.382 176.300 0.119 0.000 0.966 313 D CA 0.715 54.782 54.000 0.111 0.000 0.864 313 D CB 0.019 40.884 40.800 0.109 0.000 0.933 313 D HN 0.260 nan 8.370 nan 0.000 0.499 314 V N 0.385 120.313 119.914 0.023 0.000 2.490 314 V HA -0.221 3.899 4.120 0.000 0.000 0.250 314 V C 1.670 177.827 176.094 0.105 0.000 1.061 314 V CA 1.150 63.476 62.300 0.044 0.000 1.064 314 V CB -0.583 31.224 31.823 -0.026 0.000 0.670 314 V HN 0.158 nan 8.190 nan 0.000 0.461 315 F N 1.423 121.518 119.950 0.242 0.000 2.502 315 F HA 0.116 4.643 4.527 0.001 0.000 0.298 315 F C 2.275 178.204 175.800 0.215 0.000 1.111 315 F CA 0.803 58.930 58.000 0.211 0.000 1.445 315 F CB -1.335 37.751 39.000 0.143 0.000 1.081 315 F HN 0.185 nan 8.300 nan 0.000 0.558 316 G N -0.230 108.767 108.800 0.327 0.000 2.408 316 G HA2 -0.091 3.869 3.960 0.000 0.000 0.215 316 G HA3 -0.091 3.869 3.960 0.000 0.000 0.215 316 G C 1.797 176.850 174.900 0.254 0.000 1.156 316 G CA 0.893 46.148 45.100 0.257 0.000 0.793 316 G HN 0.235 nan 8.290 nan 0.000 0.535 317 V N 0.412 120.478 119.914 0.252 0.000 2.283 317 V HA -0.131 3.989 4.120 0.000 0.000 0.243 317 V C 2.458 178.633 176.094 0.134 0.000 1.039 317 V CA 1.569 63.986 62.300 0.194 0.000 1.016 317 V CB -0.717 31.191 31.823 0.142 0.000 0.650 317 V HN 0.427 nan 8.190 nan 0.000 0.449 318 H N 0.067 119.237 119.070 0.166 0.000 2.421 318 H HA -0.102 4.455 4.556 0.000 0.000 0.298 318 H C 2.298 177.764 175.328 0.230 0.000 1.087 318 H CA 1.628 57.788 56.048 0.186 0.000 1.330 318 H CB -0.226 29.709 29.762 0.287 0.000 1.388 318 H HN 0.510 nan 8.280 nan 0.000 0.526 319 G N 0.247 109.261 108.800 0.357 0.000 2.404 319 G HA2 -0.135 3.825 3.960 0.000 0.000 0.213 319 G HA3 -0.135 3.825 3.960 0.000 0.000 0.213 319 G C 1.931 176.968 174.900 0.228 0.000 1.189 319 G CA 0.731 46.005 45.100 0.290 0.000 0.796 319 G HN 0.206 nan 8.290 nan 0.000 0.532 320 V N 0.740 120.786 119.914 0.220 0.000 2.295 320 V HA -0.201 3.919 4.120 0.000 0.000 0.246 320 V C 3.032 179.216 176.094 0.149 0.000 1.049 320 V CA 1.833 64.251 62.300 0.196 0.000 1.024 320 V CB -0.669 31.300 31.823 0.243 0.000 0.648 320 V HN 0.490 nan 8.190 nan 0.000 0.447 321 C N 0.757 120.133 119.300 0.127 0.000 2.432 321 C HA 0.034 4.494 4.460 0.000 0.000 0.280 321 C C 2.863 177.902 174.990 0.081 0.000 1.353 321 C CA 0.423 59.485 59.018 0.073 0.000 1.766 321 C CB -1.684 26.063 27.740 0.011 0.000 1.924 321 C HN 0.689 nan 8.230 nan 0.000 0.509 322 G N 0.992 109.870 108.800 0.129 0.000 2.421 322 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 322 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 322 G C 1.450 176.457 174.900 0.178 0.000 1.171 322 G CA 0.768 45.983 45.100 0.192 0.000 0.775 322 G HN 0.520 nan 8.290 nan 0.000 0.543 323 I N 0.326 120.991 120.570 0.159 0.000 2.179 323 I HA -0.164 4.006 4.170 0.000 0.000 0.242 323 I C 2.797 178.982 176.117 0.113 0.000 1.088 323 I CA 0.503 61.882 61.300 0.133 0.000 1.357 323 I CB -0.401 37.672 38.000 0.121 0.000 1.051 323 I HN 0.018 nan 8.210 nan 0.000 0.409 324 V N 1.227 121.201 119.914 0.099 0.000 2.287 324 V HA -0.272 3.848 4.120 0.000 0.000 0.248 324 V C 2.620 178.775 176.094 0.102 0.000 1.053 324 V CA 2.370 64.718 62.300 0.081 0.000 1.027 324 V CB -1.493 30.365 31.823 0.058 0.000 0.646 324 V HN 0.601 nan 8.190 nan 0.000 0.447 325 G N -1.371 107.496 108.800 0.112 0.000 2.446 325 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 325 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 325 G C 1.748 176.752 174.900 0.175 0.000 1.168 325 G CA 1.372 46.554 45.100 0.137 0.000 0.771 325 G HN 0.541 nan 8.290 nan 0.000 0.551 326 C N 0.280 119.685 119.300 0.176 0.000 2.425 326 C HA 0.079 4.539 4.460 0.000 0.000 0.277 326 C C 2.860 177.941 174.990 0.151 0.000 1.280 326 C CA 0.426 59.550 59.018 0.176 0.000 1.744 326 C CB -0.939 26.897 27.740 0.159 0.000 1.989 326 C HN 0.470 nan 8.230 nan 0.000 0.491 327 I N 0.326 120.974 120.570 0.129 0.000 2.202 327 I HA -0.232 3.938 4.170 0.000 0.000 0.242 327 I C 2.506 178.713 176.117 0.150 0.000 1.091 327 I CA 1.637 63.005 61.300 0.114 0.000 1.368 327 I CB -0.420 37.632 38.000 0.086 0.000 1.058 327 I HN 0.308 nan 8.210 nan 0.000 0.410 328 M N -0.121 119.588 119.600 0.181 0.000 2.374 328 M HA -0.129 4.351 4.480 0.000 0.000 0.264 328 M C 2.148 178.648 176.300 0.333 0.000 1.067 328 M CA 1.393 56.856 55.300 0.273 0.000 1.103 328 M CB -0.543 32.206 32.600 0.248 0.000 1.402 328 M HN 0.241 nan 8.290 nan 0.000 0.444 329 T N 0.192 114.903 114.554 0.262 0.000 2.821 329 T HA -0.084 4.266 4.350 0.000 0.000 0.267 329 T C 1.773 176.628 174.700 0.259 0.000 1.046 329 T CA 1.561 63.826 62.100 0.275 0.000 1.139 329 T CB -0.544 68.492 68.868 0.278 0.000 0.871 329 T HN 0.635 nan 8.240 nan 0.000 0.454 330 G N 0.239 109.173 108.800 0.224 0.000 2.679 330 G HA2 0.042 4.002 3.960 0.000 0.000 0.212 330 G HA3 0.042 4.002 3.960 0.000 0.000 0.212 330 G C 1.303 176.373 174.900 0.283 0.000 1.137 330 G CA 0.191 45.433 45.100 0.236 0.000 0.787 330 G HN 0.474 nan 8.290 nan 0.000 0.534 331 I N -1.419 119.276 120.570 0.207 0.000 2.899 331 I HA 0.215 4.385 4.170 0.000 0.000 0.257 331 I C 1.612 177.675 176.117 -0.089 0.000 1.115 331 I CA 0.231 61.556 61.300 0.040 0.000 1.451 331 I CB 0.086 38.003 38.000 -0.139 0.000 1.251 331 I HN 0.009 nan 8.210 nan 0.000 0.456 332 F N 1.057 121.061 119.950 0.090 0.000 2.811 332 F HA 0.171 4.698 4.527 0.000 0.000 0.301 332 F C 2.290 178.071 175.800 -0.033 0.000 1.151 332 F CA 0.452 58.470 58.000 0.030 0.000 1.412 332 F CB -0.344 38.682 39.000 0.044 0.000 1.113 332 F HN -0.028 nan 8.300 nan 0.000 0.579 333 A N 0.395 123.234 122.820 0.031 0.000 2.119 333 A HA 0.273 4.594 4.320 0.000 0.000 0.217 333 A C 1.630 178.887 177.584 -0.545 0.000 1.153 333 A CA 0.573 52.506 52.037 -0.173 0.000 0.692 333 A CB -0.925 17.973 19.000 -0.170 0.000 0.799 333 A HN 0.146 nan 8.150 nan 0.000 0.458 334 A N 0.032 122.436 122.820 -0.694 0.000 2.546 334 A HA 0.344 4.665 4.320 0.000 0.000 0.243 334 A C 1.460 178.870 177.584 -0.290 0.000 1.063 334 A CA 0.488 52.127 52.037 -0.663 0.000 0.757 334 A CB -0.001 18.832 19.000 -0.279 0.000 0.991 334 A HN 0.377 nan 8.150 nan 0.000 0.503 335 S N 1.919 117.482 115.700 -0.228 0.000 2.387 335 S HA -0.181 4.290 4.470 0.000 0.000 0.230 335 S C 2.222 176.790 174.600 -0.055 0.000 1.035 335 S CA 1.928 60.068 58.200 -0.100 0.000 1.014 335 S CB -0.281 62.882 63.200 -0.062 0.000 0.836 335 S HN 0.911 nan 8.310 nan 0.000 0.466 336 S N 1.577 117.246 115.700 -0.051 0.000 2.419 336 S HA -0.004 4.466 4.470 0.000 0.000 0.235 336 S C 1.338 175.928 174.600 -0.016 0.000 1.019 336 S CA 0.930 59.115 58.200 -0.025 0.000 0.982 336 S CB -0.306 62.882 63.200 -0.019 0.000 0.789 336 S HN 0.437 nan 8.310 nan 0.000 0.490 337 L N 0.484 121.692 121.223 -0.025 0.000 2.769 337 L HA 0.397 4.738 4.340 0.000 0.000 0.240 337 L C 1.483 178.405 176.870 0.086 0.000 1.163 337 L CA 0.185 55.043 54.840 0.031 0.000 0.962 337 L CB 0.008 42.053 42.059 -0.024 0.000 1.258 337 L HN 0.468 nan 8.230 nan 0.000 0.513 338 G N -0.206 108.616 108.800 0.037 0.000 2.175 338 G HA2 -0.212 3.749 3.960 0.000 0.000 0.244 338 G HA3 -0.212 3.749 3.960 0.000 0.000 0.244 338 G C 0.530 175.449 174.900 0.032 0.000 0.982 338 G CA -0.231 44.893 45.100 0.040 0.000 0.641 338 G HN 0.501 nan 8.290 nan 0.000 0.527 339 G N -0.803 108.004 108.800 0.012 0.000 2.588 339 G HA2 0.588 4.549 3.960 0.000 0.000 0.281 339 G HA3 0.588 4.549 3.960 0.000 0.000 0.281 339 G C 1.461 176.350 174.900 -0.018 0.000 1.236 339 G CA 0.723 45.825 45.100 0.003 0.000 0.969 339 G HN 1.302 nan 8.290 nan 0.000 0.504 340 V N -2.268 117.654 119.914 0.013 0.000 2.970 340 V HA 0.458 4.578 4.120 0.000 0.000 0.260 340 V C 1.188 177.272 176.094 -0.016 0.000 1.100 340 V CA 0.873 63.191 62.300 0.029 0.000 1.122 340 V CB -1.396 30.491 31.823 0.108 0.000 0.721 340 V HN 2.219 nan 8.190 nan 0.000 0.483 341 G N -0.576 108.153 108.800 -0.119 0.000 2.697 341 G HA2 -0.042 3.919 3.960 0.000 0.000 0.686 341 G HA3 -0.042 3.919 3.960 0.000 0.000 0.686 341 G C -0.809 173.983 174.900 -0.180 0.000 1.179 341 G CA -0.513 44.471 45.100 -0.192 0.000 0.765 341 G HN 0.373 nan 8.290 nan 0.000 0.649 342 F N 1.262 121.221 119.950 0.015 0.000 2.440 342 F HA 0.586 5.113 4.527 0.001 0.000 0.323 342 F C 1.517 177.321 175.800 0.006 0.000 1.192 342 F CA 0.517 58.516 58.000 -0.001 0.000 1.252 342 F CB 0.333 39.333 39.000 -0.000 0.000 1.214 342 F HN 0.965 nan 8.300 nan 0.000 0.578 343 A N 0.821 123.772 122.820 0.217 0.000 2.475 343 A HA 0.068 4.388 4.320 0.000 0.000 0.239 343 A C 0.301 177.939 177.584 0.090 0.000 1.087 343 A CA -0.512 51.595 52.037 0.117 0.000 0.779 343 A CB -0.260 18.789 19.000 0.082 0.000 1.036 343 A HN 0.762 nan 8.150 nan 0.000 0.506 344 E N -0.359 119.871 120.200 0.050 0.000 2.529 344 E HA 0.263 4.613 4.350 0.000 0.000 0.259 344 E C 1.186 177.783 176.600 -0.005 0.000 0.966 344 E CA 1.185 57.600 56.400 0.025 0.000 0.937 344 E CB 0.102 29.809 29.700 0.012 0.000 0.923 344 E HN 1.312 nan 8.360 nan 0.000 0.468 345 G N 2.168 110.960 108.800 -0.014 0.000 2.153 345 G HA2 -0.274 3.686 3.960 0.000 0.000 0.252 345 G HA3 -0.274 3.686 3.960 0.000 0.000 0.252 345 G C 0.056 174.886 174.900 -0.117 0.000 0.994 345 G CA 0.205 45.270 45.100 -0.059 0.000 0.698 345 G HN 0.393 nan 8.290 nan 0.000 0.521 346 V N 1.978 121.843 119.914 -0.082 0.000 2.357 346 V HA 0.616 4.737 4.120 0.000 0.000 0.284 346 V C 0.984 176.980 176.094 -0.164 0.000 1.018 346 V CA -0.073 62.133 62.300 -0.156 0.000 0.841 346 V CB 1.304 33.073 31.823 -0.090 0.000 0.991 346 V HN 0.657 nan 8.190 nan 0.000 0.437 347 T N 1.937 116.379 114.554 -0.186 0.000 2.828 347 T HA 0.269 4.619 4.350 0.000 0.000 0.290 347 T C 1.284 175.705 174.700 -0.466 0.000 1.019 347 T CA -0.338 61.647 62.100 -0.192 0.000 1.031 347 T CB 0.961 69.775 68.868 -0.091 0.000 1.001 347 T HN 0.553 nan 8.240 nan 0.000 0.531 348 M N 1.031 120.393 119.600 -0.396 0.000 2.149 348 M HA -0.004 4.476 4.480 0.000 0.000 0.261 348 M C 2.229 178.375 176.300 -0.256 0.000 1.064 348 M CA 2.267 57.307 55.300 -0.433 0.000 1.102 348 M CB -1.038 31.557 32.600 -0.008 0.000 1.369 348 M HN 0.947 nan 8.290 nan 0.000 0.408 349 G N -1.342 107.375 108.800 -0.138 0.000 2.418 349 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 349 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 349 G C 1.159 176.011 174.900 -0.081 0.000 1.158 349 G CA 1.446 46.498 45.100 -0.080 0.000 0.771 349 G HN 0.636 nan 8.290 nan 0.000 0.545 350 H N -0.236 118.730 119.070 -0.174 0.000 2.321 350 H HA -0.059 4.497 4.556 0.001 0.000 0.300 350 H C 2.621 177.851 175.328 -0.163 0.000 1.087 350 H CA 2.058 58.018 56.048 -0.147 0.000 1.319 350 H CB -0.011 29.665 29.762 -0.144 0.000 1.379 350 H HN 0.335 nan 8.280 nan 0.000 0.501 351 Q N 0.436 120.124 119.800 -0.187 0.000 2.084 351 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 351 Q C 2.372 178.286 176.000 -0.142 0.000 0.978 351 Q CA 1.695 57.377 55.803 -0.202 0.000 0.844 351 Q CB -0.435 28.074 28.738 -0.381 0.000 0.898 351 Q HN 0.604 nan 8.270 nan 0.000 0.426 352 L N -0.513 120.631 121.223 -0.131 0.000 2.042 352 L HA -0.205 4.135 4.340 0.000 0.000 0.210 352 L C 2.208 179.032 176.870 -0.077 0.000 1.076 352 L CA 0.894 55.694 54.840 -0.066 0.000 0.749 352 L CB -0.551 41.479 42.059 -0.048 0.000 0.893 352 L HN 0.314 nan 8.230 nan 0.000 0.432 353 L N -0.715 120.434 121.223 -0.124 0.000 2.046 353 L HA -0.176 4.164 4.340 0.000 0.000 0.208 353 L C 2.338 179.126 176.870 -0.137 0.000 1.077 353 L CA 1.623 56.386 54.840 -0.129 0.000 0.747 353 L CB -0.361 41.600 42.059 -0.163 0.000 0.896 353 L HN -0.054 nan 8.230 nan 0.000 0.432 354 V N -0.540 119.261 119.914 -0.189 0.000 2.358 354 V HA -0.259 3.861 4.120 0.000 0.000 0.246 354 V C 2.646 178.703 176.094 -0.061 0.000 1.047 354 V CA 1.499 63.718 62.300 -0.136 0.000 1.035 354 V CB -0.660 31.079 31.823 -0.139 0.000 0.658 354 V HN 0.503 nan 8.190 nan 0.000 0.452 355 Q N -0.134 119.645 119.800 -0.035 0.000 2.061 355 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 355 Q C 2.298 178.304 176.000 0.010 0.000 0.984 355 Q CA 1.690 57.499 55.803 0.010 0.000 0.846 355 Q CB -0.616 28.147 28.738 0.041 0.000 0.902 355 Q HN 0.540 nan 8.270 nan 0.000 0.421 356 L N 0.585 121.806 121.223 -0.005 0.000 2.046 356 L HA -0.203 4.137 4.340 0.000 0.000 0.208 356 L C 2.327 179.196 176.870 -0.001 0.000 1.077 356 L CA 1.286 56.128 54.840 0.003 0.000 0.747 356 L CB -0.408 41.646 42.059 -0.007 0.000 0.896 356 L HN 0.268 nan 8.230 nan 0.000 0.432 357 E N -0.424 119.761 120.200 -0.025 0.000 2.110 357 E HA -0.162 4.188 4.350 0.000 0.000 0.193 357 E C 2.304 178.891 176.600 -0.021 0.000 0.988 357 E CA 1.386 57.767 56.400 -0.030 0.000 0.804 357 E CB -0.013 29.647 29.700 -0.066 0.000 0.745 357 E HN 0.363 nan 8.360 nan 0.000 0.458 358 S N 0.718 116.405 115.700 -0.023 0.000 2.383 358 S HA -0.094 4.376 4.470 0.000 0.000 0.227 358 S C 2.022 176.627 174.600 0.008 0.000 1.026 358 S CA 0.707 58.893 58.200 -0.022 0.000 0.981 358 S CB -0.108 63.079 63.200 -0.022 0.000 0.818 358 S HN 0.184 nan 8.310 nan 0.000 0.472 359 I N 1.809 122.399 120.570 0.032 0.000 2.202 359 I HA -0.194 3.976 4.170 0.000 0.000 0.242 359 I C 2.728 178.884 176.117 0.066 0.000 1.091 359 I CA 1.115 62.451 61.300 0.060 0.000 1.368 359 I CB -0.517 37.526 38.000 0.070 0.000 1.058 359 I HN 0.256 nan 8.210 nan 0.000 0.410 360 A N 0.989 123.840 122.820 0.052 0.000 1.883 360 A HA -0.195 4.125 4.320 0.000 0.000 0.217 360 A C 2.325 179.956 177.584 0.080 0.000 1.186 360 A CA 1.649 53.722 52.037 0.059 0.000 0.624 360 A CB -0.897 18.126 19.000 0.039 0.000 0.822 360 A HN 0.384 nan 8.150 nan 0.000 0.444 361 I N -0.435 120.180 120.570 0.074 0.000 2.226 361 I HA -0.231 3.939 4.170 0.000 0.000 0.245 361 I C 2.612 178.824 176.117 0.159 0.000 1.100 361 I CA 1.779 63.152 61.300 0.120 0.000 1.374 361 I CB -0.555 37.495 38.000 0.084 0.000 1.057 361 I HN 0.288 nan 8.210 nan 0.000 0.413 362 T N 1.142 115.750 114.554 0.090 0.000 2.684 362 T HA -0.161 4.189 4.350 0.000 0.000 0.267 362 T C 1.909 176.715 174.700 0.177 0.000 1.036 362 T CA 1.463 63.619 62.100 0.095 0.000 1.148 362 T CB -0.329 68.570 68.868 0.051 0.000 0.863 362 T HN 0.232 nan 8.240 nan 0.000 0.436 363 I N 0.717 121.381 120.570 0.156 0.000 2.127 363 I HA -0.171 3.999 4.170 0.000 0.000 0.241 363 I C 2.503 178.723 176.117 0.171 0.000 1.075 363 I CA 1.105 62.501 61.300 0.161 0.000 1.334 363 I CB -0.435 37.639 38.000 0.124 0.000 1.040 363 I HN 0.093 nan 8.210 nan 0.000 0.405 364 V N -0.050 119.958 119.914 0.157 0.000 2.358 364 V HA -0.267 3.853 4.120 0.000 0.000 0.246 364 V C 2.089 178.286 176.094 0.172 0.000 1.047 364 V CA 1.585 63.962 62.300 0.130 0.000 1.035 364 V CB -0.677 31.199 31.823 0.089 0.000 0.658 364 V HN 0.596 nan 8.190 nan 0.000 0.452 365 W N 0.683 122.010 121.300 0.045 0.000 2.354 365 W HA -0.218 4.444 4.660 0.003 0.000 0.315 365 W C 2.898 179.460 176.519 0.073 0.000 1.206 365 W CA 2.351 59.717 57.345 0.036 0.000 1.290 365 W CB -0.654 28.815 29.460 0.015 0.000 1.152 365 W HN 0.347 nan 8.180 nan 0.000 0.489 366 S N 0.110 116.080 115.700 0.449 0.000 2.368 366 S HA -0.106 4.364 4.470 0.000 0.000 0.225 366 S C 2.057 176.908 174.600 0.418 0.000 1.030 366 S CA 2.014 60.494 58.200 0.466 0.000 0.999 366 S CB -0.897 62.593 63.200 0.484 0.000 0.844 366 S HN 0.303 nan 8.310 nan 0.000 0.459 367 G N 0.770 109.744 108.800 0.290 0.000 2.421 367 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 367 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 367 G C 1.488 176.522 174.900 0.224 0.000 1.171 367 G CA 1.151 46.390 45.100 0.231 0.000 0.775 367 G HN 0.468 nan 8.290 nan 0.000 0.543 368 V N 0.402 120.399 119.914 0.140 0.000 2.295 368 V HA -0.161 3.960 4.120 0.000 0.000 0.246 368 V C 3.036 179.230 176.094 0.165 0.000 1.049 368 V CA 1.512 63.864 62.300 0.087 0.000 1.024 368 V CB -0.402 31.384 31.823 -0.061 0.000 0.648 368 V HN 0.244 nan 8.190 nan 0.000 0.447 369 V N 0.277 120.279 119.914 0.147 0.000 2.343 369 V HA -0.251 3.869 4.120 0.000 0.000 0.247 369 V C 2.713 178.984 176.094 0.295 0.000 1.051 369 V CA 1.995 64.391 62.300 0.159 0.000 1.036 369 V CB -1.153 30.732 31.823 0.103 0.000 0.654 369 V HN 0.555 nan 8.190 nan 0.000 0.451 370 A N -0.363 122.734 122.820 0.462 0.000 1.883 370 A HA -0.275 4.045 4.320 0.000 0.000 0.217 370 A C 2.131 179.978 177.584 0.438 0.000 1.186 370 A CA 2.179 54.509 52.037 0.488 0.000 0.624 370 A CB -0.831 18.472 19.000 0.505 0.000 0.822 370 A HN 0.513 nan 8.150 nan 0.000 0.444 371 F N 0.606 120.743 119.950 0.312 0.000 2.091 371 F HA -0.228 4.298 4.527 -0.002 0.000 0.299 371 F C 2.012 177.946 175.800 0.223 0.000 1.103 371 F CA 2.027 60.197 58.000 0.284 0.000 1.228 371 F CB -0.224 38.885 39.000 0.182 0.000 0.984 371 F HN 0.202 nan 8.300 nan 0.000 0.477 372 I N -0.175 120.571 120.570 0.293 0.000 2.226 372 I HA -0.248 3.922 4.170 0.000 0.000 0.245 372 I C 2.721 178.880 176.117 0.070 0.000 1.100 372 I CA 1.389 62.775 61.300 0.143 0.000 1.374 372 I CB -1.253 36.822 38.000 0.124 0.000 1.057 372 I HN 0.308 nan 8.210 nan 0.000 0.413 373 G N 0.001 108.855 108.800 0.089 0.000 2.404 373 G HA2 -0.253 3.707 3.960 0.000 0.000 0.215 373 G HA3 -0.253 3.707 3.960 0.000 0.000 0.215 373 G C 1.433 176.424 174.900 0.152 0.000 1.174 373 G CA 0.561 45.702 45.100 0.070 0.000 0.780 373 G HN 0.241 nan 8.290 nan 0.000 0.537 374 Y N 1.199 121.653 120.300 0.257 0.000 2.224 374 Y HA -0.020 4.530 4.550 -0.000 0.000 0.289 374 Y C 2.834 178.692 175.900 -0.070 0.000 1.146 374 Y CA 1.126 59.254 58.100 0.046 0.000 1.182 374 Y CB -0.028 38.384 38.460 -0.080 0.000 0.983 374 Y HN 0.034 nan 8.280 nan 0.000 0.524 375 K N -0.242 120.149 120.400 -0.016 0.000 2.062 375 K HA -0.114 4.206 4.320 0.000 0.000 0.205 375 K C 2.145 178.731 176.600 -0.024 0.000 1.051 375 K CA 0.778 56.998 56.287 -0.112 0.000 0.941 375 K CB -0.832 31.507 32.500 -0.268 0.000 0.719 375 K HN 0.293 nan 8.250 nan 0.000 0.440 376 L N 1.203 122.432 121.223 0.010 0.000 2.046 376 L HA -0.093 4.248 4.340 0.000 0.000 0.208 376 L C 2.182 179.075 176.870 0.039 0.000 1.077 376 L CA 1.791 56.645 54.840 0.023 0.000 0.747 376 L CB -0.621 41.453 42.059 0.026 0.000 0.896 376 L HN 0.116 nan 8.230 nan 0.000 0.432 377 A N -0.872 121.989 122.820 0.069 0.000 1.902 377 A HA -0.267 4.053 4.320 0.000 0.000 0.217 377 A C 2.106 179.722 177.584 0.053 0.000 1.181 377 A CA 1.862 53.947 52.037 0.080 0.000 0.623 377 A CB -0.973 18.106 19.000 0.131 0.000 0.818 377 A HN 0.539 nan 8.150 nan 0.000 0.443 378 D N -0.378 120.046 120.400 0.039 0.000 2.178 378 D HA -0.071 4.569 4.640 0.000 0.000 0.201 378 D C 1.703 178.006 176.300 0.005 0.000 0.980 378 D CA 0.918 54.925 54.000 0.011 0.000 0.842 378 D CB -0.155 40.636 40.800 -0.016 0.000 0.948 378 D HN 0.434 nan 8.370 nan 0.000 0.472 379 L N -0.677 120.550 121.223 0.007 0.000 2.341 379 L HA 0.008 4.348 4.340 0.000 0.000 0.214 379 L C 2.125 179.002 176.870 0.011 0.000 1.115 379 L CA 0.887 55.731 54.840 0.006 0.000 0.820 379 L CB -0.022 42.039 42.059 0.005 0.000 0.944 379 L HN 0.022 nan 8.230 nan 0.000 0.452 380 T N -1.508 113.057 114.554 0.019 0.000 3.004 380 T HA -0.013 4.337 4.350 0.000 0.000 0.243 380 T C 1.470 176.183 174.700 0.022 0.000 1.020 380 T CA 1.319 63.431 62.100 0.021 0.000 1.145 380 T CB 0.281 69.165 68.868 0.027 0.000 0.876 380 T HN 0.235 nan 8.240 nan 0.000 0.449 381 V N -2.189 117.742 119.914 0.029 0.000 3.485 381 V HA 0.686 4.806 4.120 0.000 0.000 0.280 381 V C 0.740 176.849 176.094 0.025 0.000 1.495 381 V CA 0.128 62.446 62.300 0.030 0.000 1.018 381 V CB -0.395 31.454 31.823 0.044 0.000 0.818 381 V HN 0.615 nan 8.190 nan 0.000 0.436 382 G N 0.568 109.381 108.800 0.021 0.000 2.862 382 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 382 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 382 G C -0.198 174.711 174.900 0.015 0.000 1.134 382 G CA 0.029 45.136 45.100 0.011 0.000 0.791 382 G HN 0.335 nan 8.290 nan 0.000 0.592 383 L N 1.517 122.740 121.223 -0.000 0.000 2.084 383 L HA 0.120 4.461 4.340 0.000 0.000 0.202 383 L C 2.302 179.159 176.870 -0.021 0.000 1.074 383 L CA 1.347 56.183 54.840 -0.006 0.000 0.757 383 L CB -0.267 41.771 42.059 -0.035 0.000 0.918 383 L HN 0.837 nan 8.230 nan 0.000 0.444 384 R N 0.586 121.065 120.500 -0.036 0.000 2.643 384 R HA 0.169 4.510 4.340 0.000 0.000 0.270 384 R C -0.155 176.133 176.300 -0.021 0.000 1.061 384 R CA -0.513 55.562 56.100 -0.041 0.000 1.107 384 R CB 0.608 30.879 30.300 -0.049 0.000 0.999 384 R HN -0.090 nan 8.270 nan 0.000 0.460 385 V N 4.797 124.697 119.914 -0.022 0.000 2.540 385 V HA 0.102 4.222 4.120 0.000 0.000 0.297 385 V C -1.338 174.753 176.094 -0.004 0.000 1.024 385 V CA -1.290 61.006 62.300 -0.007 0.000 1.105 385 V CB 0.007 31.822 31.823 -0.013 0.000 0.938 385 V HN 0.949 nan 8.190 nan 0.000 0.482 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.102 63.100 0.004 0.000 0.800 386 P CB 0.000 31.707 31.700 0.012 0.000 0.726