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 3kdo_1_F DATA FIRST_RESID 8 DATA SEQUENCE IYDYYVDKGY EPSKKRDIIA VFRVTPAEGY TIEQAAGAVA AESSTGTWTT DATA SEQUENCE LYPWYEQERW ADLSAKAYDF HDMGDGSWIV RIAYPFHAFE EANLPGLLAS DATA SEQUENCE IAGNIFGMKR VKGLRLEDLY FPEKLIREFD GPAFGIEGVR KMLEIKDRPI DATA SEQUENCE YGVVPKPKVG YSPEEFEKLA YDLLSNGADY MXDDENLTSP WYNRFEERAE DATA SEQUENCE IMAKIIDKVE NETGEKKTWF ANITADLLEM EQRLEVLADL GLKHAMVDVV DATA SEQUENCE ITGWGALRYI RDLAADYGLA IHGHRAMHAA FTRNPYHGIS MFVLAKLYRL DATA SEQUENCE IGIDQLHVGT AGAGKLEGER DITLGFVDLL RESHYKPDEN DVFHLEQKFY DATA SEQUENCE SIKAAFPTSS GGLHPGNIQP VIEALGTDIV LQLGGGTLGH PDGPAAGARA DATA SEQUENCE VRQAIDAIMQ GIPLDEYAKT HKELARALEK WGHVTPV 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.222 176.117 0.175 0.000 1.063 8 I CA 0.000 61.301 61.300 0.002 0.000 1.566 8 I CB 0.000 37.914 38.000 -0.143 0.000 1.214 9 Y N 1.981 122.437 120.300 0.259 0.000 2.516 9 Y HA 0.230 4.779 4.550 -0.001 0.000 0.291 9 Y C 2.579 178.683 175.900 0.339 0.000 1.131 9 Y CA 1.288 59.577 58.100 0.314 0.000 1.281 9 Y CB -1.048 37.518 38.460 0.176 0.000 1.013 9 Y HN 0.625 nan 8.280 nan 0.000 0.554 10 D N -0.837 119.789 120.400 0.376 0.000 2.178 10 D HA -0.285 4.355 4.640 -0.001 0.000 0.201 10 D C 1.864 178.307 176.300 0.238 0.000 0.980 10 D CA 1.291 55.444 54.000 0.255 0.000 0.842 10 D CB -1.168 39.732 40.800 0.166 0.000 0.948 10 D HN 0.560 nan 8.370 nan 0.000 0.472 11 Y N -0.523 119.857 120.300 0.132 0.000 2.315 11 Y HA -0.154 4.396 4.550 -0.001 0.000 0.288 11 Y C 1.448 177.262 175.900 -0.144 0.000 1.154 11 Y CA 1.482 59.560 58.100 -0.037 0.000 1.229 11 Y CB -0.165 38.227 38.460 -0.113 0.000 0.980 11 Y HN 0.352 nan 8.280 nan 0.000 0.540 12 Y N -0.699 119.720 120.300 0.198 0.000 2.490 12 Y HA 0.206 4.755 4.550 -0.001 0.000 0.281 12 Y C 0.173 176.075 175.900 0.003 0.000 1.174 12 Y CA -0.286 57.861 58.100 0.079 0.000 1.295 12 Y CB 0.114 38.665 38.460 0.151 0.000 1.062 12 Y HN -0.209 nan 8.280 nan 0.000 0.522 13 V N 1.147 121.134 119.914 0.122 0.000 2.394 13 V HA 0.265 4.384 4.120 -0.001 0.000 0.282 13 V C -0.670 175.451 176.094 0.044 0.000 1.031 13 V CA -0.554 61.831 62.300 0.141 0.000 0.881 13 V CB 1.572 33.484 31.823 0.147 0.000 0.982 13 V HN 0.059 nan 8.190 nan 0.000 0.451 14 D N 3.407 123.876 120.400 0.116 0.000 2.411 14 D HA 0.239 4.879 4.640 -0.001 0.000 0.239 14 D C 0.619 177.050 176.300 0.219 0.000 1.307 14 D CA -0.473 53.581 54.000 0.089 0.000 0.930 14 D CB 1.159 41.965 40.800 0.009 0.000 1.395 14 D HN 0.439 nan 8.370 nan 0.000 0.536 15 K N 0.541 121.046 120.400 0.175 0.000 2.515 15 K HA 0.075 4.395 4.320 -0.001 0.000 0.196 15 K C 1.720 178.439 176.600 0.198 0.000 1.038 15 K CA 0.778 57.198 56.287 0.222 0.000 0.967 15 K CB 0.456 33.005 32.500 0.081 0.000 0.780 15 K HN 0.352 nan 8.250 nan 0.000 0.483 16 G N 0.370 109.262 108.800 0.152 0.000 2.492 16 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.214 16 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.214 16 G C 0.167 175.139 174.900 0.120 0.000 1.147 16 G CA -0.199 44.967 45.100 0.110 0.000 0.809 16 G HN 0.242 nan 8.290 nan 0.000 0.533 17 Y N 2.158 122.480 120.300 0.036 0.000 2.811 17 Y HA 0.323 4.873 4.550 -0.001 0.000 0.334 17 Y C 0.246 176.095 175.900 -0.085 0.000 1.247 17 Y CA 0.337 58.419 58.100 -0.030 0.000 1.526 17 Y CB 0.313 38.743 38.460 -0.050 0.000 1.284 17 Y HN 0.185 nan 8.280 nan 0.000 0.586 18 E N 7.820 127.492 120.200 -0.881 0.000 2.182 18 E HA 0.402 4.752 4.350 -0.001 0.000 0.258 18 E C -2.918 173.073 176.600 -1.014 0.000 0.879 18 E CA -2.378 53.596 56.400 -0.711 0.000 0.754 18 E CB 0.384 29.866 29.700 -0.364 0.000 1.162 18 E HN 0.563 nan 8.360 nan 0.000 0.419 19 P HA 0.110 nan 4.420 nan 0.000 0.267 19 P C -0.011 177.143 177.300 -0.243 0.000 1.200 19 P CA -0.003 62.832 63.100 -0.442 0.000 0.772 19 P CB 1.291 32.766 31.700 -0.375 0.000 0.855 20 S N 1.706 117.370 115.700 -0.059 0.000 2.452 20 S HA 0.132 4.602 4.470 -0.001 0.000 0.284 20 S C 1.174 175.827 174.600 0.088 0.000 1.171 20 S CA -0.663 57.546 58.200 0.015 0.000 1.064 20 S CB 0.071 63.322 63.200 0.086 0.000 0.967 20 S HN 0.260 nan 8.310 nan 0.000 0.484 21 K N 2.989 123.423 120.400 0.057 0.000 2.211 21 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 21 K C 1.167 177.924 176.600 0.262 0.000 1.047 21 K CA 0.951 57.309 56.287 0.118 0.000 0.935 21 K CB 0.044 32.588 32.500 0.074 0.000 0.728 21 K HN 0.477 nan 8.250 nan 0.000 0.452 22 K N -0.069 120.447 120.400 0.192 0.000 2.354 22 K HA 0.091 4.411 4.320 -0.001 0.000 0.194 22 K C 1.497 178.218 176.600 0.202 0.000 1.045 22 K CA 0.491 56.877 56.287 0.166 0.000 1.026 22 K CB 0.591 33.154 32.500 0.106 0.000 0.866 22 K HN 0.118 nan 8.250 nan 0.000 0.530 23 R N 0.060 120.740 120.500 0.300 0.000 2.394 23 R HA 0.155 4.494 4.340 -0.001 0.000 0.220 23 R C -0.346 176.271 176.300 0.528 0.000 0.887 23 R CA -0.101 56.303 56.100 0.507 0.000 1.034 23 R CB 0.795 31.336 30.300 0.400 0.000 1.179 23 R HN -0.036 nan 8.270 nan 0.000 0.561 24 D N 0.960 121.603 120.400 0.404 0.000 2.168 24 D HA 0.315 4.954 4.640 -0.001 0.000 0.246 24 D C -0.386 176.208 176.300 0.491 0.000 1.050 24 D CA -0.285 53.956 54.000 0.401 0.000 0.857 24 D CB 1.822 42.804 40.800 0.304 0.000 1.169 24 D HN -0.049 nan 8.370 nan 0.000 0.453 25 I N 2.700 123.573 120.570 0.503 0.000 2.365 25 I HA 0.307 4.477 4.170 -0.001 0.000 0.291 25 I C 0.158 176.607 176.117 0.553 0.000 1.004 25 I CA -0.500 61.118 61.300 0.530 0.000 1.311 25 I CB 1.024 39.290 38.000 0.442 0.000 1.401 25 I HN 0.094 nan 8.210 nan 0.000 0.491 26 I N 5.693 126.572 120.570 0.515 0.000 2.406 26 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 26 I C -0.031 176.249 176.117 0.271 0.000 0.999 26 I CA -0.567 60.983 61.300 0.416 0.000 1.124 26 I CB 1.856 40.054 38.000 0.329 0.000 1.289 26 I HN 0.568 nan 8.210 nan 0.000 0.441 27 A N 6.475 129.447 122.820 0.252 0.000 2.288 27 A HA 0.707 5.026 4.320 -0.001 0.000 0.320 27 A C -0.556 176.897 177.584 -0.217 0.000 1.217 27 A CA -0.496 51.500 52.037 -0.068 0.000 0.840 27 A CB 1.004 19.941 19.000 -0.104 0.000 1.179 27 A HN 0.465 nan 8.150 nan 0.000 0.504 28 V N 3.476 123.200 119.914 -0.318 0.000 2.333 28 V HA 0.370 4.489 4.120 -0.001 0.000 0.274 28 V C -0.868 175.023 176.094 -0.339 0.000 1.028 28 V CA -0.042 62.118 62.300 -0.234 0.000 0.851 28 V CB -0.159 31.589 31.823 -0.126 0.000 1.000 28 V HN 0.669 nan 8.190 nan 0.000 0.456 29 F N 3.375 123.327 119.950 0.003 0.000 2.443 29 F HA 0.576 5.102 4.527 -0.001 0.000 0.335 29 F C 0.596 176.428 175.800 0.054 0.000 1.104 29 F CA -0.813 57.200 58.000 0.023 0.000 1.013 29 F CB 1.548 40.540 39.000 -0.014 0.000 1.136 29 F HN 0.319 nan 8.300 nan 0.000 0.470 30 R N 2.845 123.522 120.500 0.296 0.000 2.235 30 R HA 0.551 4.891 4.340 -0.001 0.000 0.338 30 R C -1.691 174.787 176.300 0.298 0.000 1.087 30 R CA -0.238 56.024 56.100 0.269 0.000 0.948 30 R CB 0.299 30.740 30.300 0.234 0.000 1.099 30 R HN 0.543 nan 8.270 nan 0.000 0.483 31 V N 4.188 124.278 119.914 0.293 0.000 2.394 31 V HA 0.264 4.383 4.120 -0.001 0.000 0.282 31 V C 0.016 176.311 176.094 0.336 0.000 1.031 31 V CA -0.489 61.964 62.300 0.254 0.000 0.881 31 V CB 1.778 33.697 31.823 0.161 0.000 0.982 31 V HN 0.723 nan 8.190 nan 0.000 0.451 32 T N 7.765 122.493 114.554 0.290 0.000 2.874 32 T HA 0.350 4.700 4.350 -0.001 0.000 0.321 32 T C -2.574 172.247 174.700 0.202 0.000 1.075 32 T CA -1.185 61.088 62.100 0.288 0.000 0.966 32 T CB 1.247 70.260 68.868 0.242 0.000 1.001 32 T HN 0.408 nan 8.240 nan 0.000 0.476 33 P HA 0.248 nan 4.420 nan 0.000 0.269 33 P C -0.125 177.255 177.300 0.135 0.000 1.209 33 P CA -0.248 62.927 63.100 0.124 0.000 0.776 33 P CB 0.452 32.217 31.700 0.108 0.000 0.876 34 A N 2.204 125.087 122.820 0.104 0.000 2.325 34 A HA 0.121 4.441 4.320 -0.001 0.000 0.260 34 A C 0.420 178.140 177.584 0.227 0.000 1.133 34 A CA 0.040 52.162 52.037 0.141 0.000 0.801 34 A CB -0.369 18.692 19.000 0.102 0.000 1.092 34 A HN 0.493 nan 8.150 nan 0.000 0.504 35 E N -0.521 119.791 120.200 0.188 0.000 2.299 35 E HA 0.421 4.771 4.350 -0.001 0.000 0.272 35 E C 0.797 177.467 176.600 0.117 0.000 1.043 35 E CA 1.294 57.775 56.400 0.136 0.000 0.895 35 E CB -0.096 29.654 29.700 0.084 0.000 1.011 35 E HN 1.570 nan 8.360 nan 0.000 0.432 36 G N 3.519 112.336 108.800 0.029 0.000 2.134 36 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.209 36 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.209 36 G C -0.726 173.940 174.900 -0.390 0.000 0.993 36 G CA -0.020 44.978 45.100 -0.169 0.000 0.669 36 G HN 0.413 nan 8.290 nan 0.000 0.519 37 Y N 0.737 121.044 120.300 0.010 0.000 2.442 37 Y HA 0.599 5.149 4.550 -0.001 0.000 0.344 37 Y C 0.930 176.803 175.900 -0.045 0.000 0.976 37 Y CA -0.217 57.879 58.100 -0.007 0.000 1.040 37 Y CB 1.832 40.291 38.460 -0.002 0.000 1.228 37 Y HN 0.309 nan 8.280 nan 0.000 0.451 38 T N -0.652 113.943 114.554 0.069 0.000 2.868 38 T HA 0.139 4.488 4.350 -0.001 0.000 0.292 38 T C 1.069 175.677 174.700 -0.152 0.000 1.028 38 T CA -0.529 61.526 62.100 -0.075 0.000 1.059 38 T CB 0.975 69.793 68.868 -0.084 0.000 0.991 38 T HN 0.631 nan 8.240 nan 0.000 0.531 39 I N 0.965 121.277 120.570 -0.431 0.000 2.264 39 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 39 I C 2.107 178.136 176.117 -0.147 0.000 1.111 39 I CA 1.565 62.568 61.300 -0.495 0.000 1.382 39 I CB -0.772 36.483 38.000 -1.241 0.000 1.060 39 I HN 0.791 nan 8.210 nan 0.000 0.418 40 E N 0.123 120.238 120.200 -0.141 0.000 2.110 40 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 40 E C 2.221 178.849 176.600 0.047 0.000 0.988 40 E CA 1.373 57.763 56.400 -0.018 0.000 0.804 40 E CB -0.282 29.332 29.700 -0.143 0.000 0.745 40 E HN 0.618 nan 8.360 nan 0.000 0.458 41 Q N -0.215 119.606 119.800 0.035 0.000 2.119 41 Q HA -0.084 4.256 4.340 -0.001 0.000 0.201 41 Q C 2.181 178.186 176.000 0.010 0.000 0.972 41 Q CA 1.328 57.190 55.803 0.098 0.000 0.847 41 Q CB -0.147 28.716 28.738 0.208 0.000 0.903 41 Q HN 0.304 nan 8.270 nan 0.000 0.433 42 A N 1.154 123.952 122.820 -0.036 0.000 1.854 42 A HA -0.038 4.281 4.320 -0.001 0.000 0.214 42 A C 2.339 179.839 177.584 -0.139 0.000 1.192 42 A CA 1.382 53.344 52.037 -0.125 0.000 0.611 42 A CB -0.912 18.035 19.000 -0.089 0.000 0.832 42 A HN 0.372 nan 8.150 nan 0.000 0.442 43 A N -0.336 122.452 122.820 -0.054 0.000 1.917 43 A HA 0.022 4.342 4.320 -0.001 0.000 0.219 43 A C 2.409 179.962 177.584 -0.052 0.000 1.182 43 A CA 2.173 54.180 52.037 -0.050 0.000 0.633 43 A CB -1.493 17.555 19.000 0.079 0.000 0.819 43 A HN 0.794 nan 8.150 nan 0.000 0.448 44 G N -0.618 108.194 108.800 0.019 0.000 2.446 44 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.217 44 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.217 44 G C 1.763 176.576 174.900 -0.145 0.000 1.168 44 G CA 1.596 46.737 45.100 0.069 0.000 0.771 44 G HN 0.848 nan 8.290 nan 0.000 0.551 45 A N 0.076 122.647 122.820 -0.415 0.000 1.877 45 A HA 0.082 4.402 4.320 -0.001 0.000 0.216 45 A C 2.622 179.879 177.584 -0.545 0.000 1.186 45 A CA 1.842 53.345 52.037 -0.891 0.000 0.620 45 A CB -0.716 17.742 19.000 -0.903 0.000 0.822 45 A HN 0.268 nan 8.150 nan 0.000 0.443 46 V N -0.015 119.653 119.914 -0.410 0.000 2.287 46 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 46 V C 3.060 178.967 176.094 -0.311 0.000 1.053 46 V CA 2.142 64.192 62.300 -0.417 0.000 1.027 46 V CB -1.293 30.207 31.823 -0.537 0.000 0.646 46 V HN 0.631 nan 8.190 nan 0.000 0.447 47 A N -0.194 122.484 122.820 -0.237 0.000 1.877 47 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 47 A C 2.430 179.809 177.584 -0.341 0.000 1.186 47 A CA 2.115 54.053 52.037 -0.166 0.000 0.620 47 A CB -0.835 18.128 19.000 -0.062 0.000 0.822 47 A HN 0.575 nan 8.150 nan 0.000 0.443 48 A N -0.433 122.013 122.820 -0.622 0.000 1.877 48 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 48 A C 1.855 179.227 177.584 -0.354 0.000 1.186 48 A CA 1.623 53.070 52.037 -0.983 0.000 0.620 48 A CB -0.410 18.248 19.000 -0.569 0.000 0.822 48 A HN 0.449 nan 8.150 nan 0.000 0.443 49 E N 0.370 120.441 120.200 -0.216 0.000 2.482 49 E HA -0.050 4.299 4.350 -0.001 0.000 0.196 49 E C 1.520 178.089 176.600 -0.053 0.000 1.047 49 E CA 0.993 57.342 56.400 -0.085 0.000 0.869 49 E CB -0.144 29.495 29.700 -0.102 0.000 0.836 49 E HN 0.719 nan 8.360 nan 0.000 0.520 50 S N -0.916 114.760 115.700 -0.040 0.000 2.568 50 S HA 0.168 4.638 4.470 -0.001 0.000 0.232 50 S C 1.203 175.919 174.600 0.194 0.000 0.975 50 S CA 0.271 58.520 58.200 0.082 0.000 0.949 50 S CB 0.272 63.561 63.200 0.148 0.000 0.829 50 S HN 0.144 nan 8.310 nan 0.000 0.479 51 S N 1.349 117.104 115.700 0.091 0.000 4.848 51 S HA 0.177 4.646 4.470 -0.001 0.000 0.151 51 S C 1.175 175.785 174.600 0.016 0.000 1.055 51 S CA 0.533 58.779 58.200 0.076 0.000 1.208 51 S CB -0.256 63.013 63.200 0.115 0.000 2.035 51 S HN 0.504 nan 8.310 nan 0.000 0.792 52 T N -0.169 114.408 114.554 0.038 0.000 3.040 52 T HA 0.503 4.853 4.350 -0.001 0.000 0.266 52 T C 1.021 175.882 174.700 0.269 0.000 1.005 52 T CA 0.382 62.554 62.100 0.121 0.000 0.906 52 T CB -0.057 68.818 68.868 0.011 0.000 1.082 52 T HN 0.779 nan 8.240 nan 0.000 0.531 53 G N 0.618 109.490 108.800 0.120 0.000 2.683 53 G HA2 0.475 4.435 3.960 -0.001 0.000 0.260 53 G HA3 0.475 4.435 3.960 -0.001 0.000 0.260 53 G C -0.643 174.364 174.900 0.177 0.000 1.238 53 G CA 0.071 45.266 45.100 0.159 0.000 0.934 53 G HN 0.462 nan 8.290 nan 0.000 0.534 54 T N -1.401 113.257 114.554 0.173 0.000 2.840 54 T HA 0.325 4.675 4.350 -0.001 0.000 0.317 54 T C 0.387 175.068 174.700 -0.032 0.000 1.401 54 T CA -0.293 61.859 62.100 0.088 0.000 1.028 54 T CB 0.795 69.636 68.868 -0.045 0.000 1.317 54 T HN 0.763 nan 8.240 nan 0.000 0.495 55 W N 2.524 123.829 121.300 0.009 0.000 2.595 55 W HA 0.274 4.934 4.660 -0.001 0.000 0.257 55 W C 0.249 176.664 176.519 -0.173 0.000 1.267 55 W CA 0.659 57.962 57.345 -0.071 0.000 1.300 55 W CB -0.734 28.783 29.460 0.095 0.000 1.120 55 W HN 0.656 nan 8.180 nan 0.000 0.618 56 T N 1.420 115.479 114.554 -0.824 0.000 2.901 56 T HA 0.345 4.695 4.350 -0.001 0.000 0.293 56 T C -0.037 174.388 174.700 -0.457 0.000 1.084 56 T CA -0.098 61.533 62.100 -0.781 0.000 1.008 56 T CB 1.536 69.582 68.868 -1.369 0.000 1.170 56 T HN 0.012 nan 8.240 nan 0.000 0.509 57 T N 0.709 115.076 114.554 -0.310 0.000 2.928 57 T HA 0.551 4.901 4.350 -0.001 0.000 0.305 57 T C 0.554 175.152 174.700 -0.170 0.000 1.035 57 T CA -0.273 61.707 62.100 -0.200 0.000 1.145 57 T CB -0.230 68.554 68.868 -0.140 0.000 0.963 57 T HN 0.910 nan 8.240 nan 0.000 0.545 58 L N 2.950 124.104 121.223 -0.114 0.000 2.358 58 L HA 0.769 5.109 4.340 -0.001 0.000 0.268 58 L C -0.014 176.908 176.870 0.087 0.000 1.032 58 L CA -1.823 53.020 54.840 0.005 0.000 0.805 58 L CB 0.136 42.227 42.059 0.055 0.000 1.253 58 L HN 1.006 nan 8.230 nan 0.000 0.452 59 Y N 2.603 122.963 120.300 0.100 0.000 2.319 59 Y HA 0.541 5.090 4.550 -0.001 0.000 0.328 59 Y C -1.643 174.374 175.900 0.194 0.000 1.133 59 Y CA -1.954 56.212 58.100 0.111 0.000 1.265 59 Y CB 1.449 39.971 38.460 0.104 0.000 1.218 59 Y HN 0.561 nan 8.280 nan 0.000 0.508 60 P HA 0.001 nan 4.420 nan 0.000 0.252 60 P C -0.306 176.682 177.300 -0.521 0.000 1.727 60 P CA 0.197 62.864 63.100 -0.721 0.000 1.134 60 P CB -0.542 30.739 31.700 -0.699 0.000 1.876 61 W N 3.288 124.427 121.300 -0.269 0.000 3.005 61 W HA 0.196 4.856 4.660 -0.001 0.000 0.374 61 W C -0.893 175.646 176.519 0.034 0.000 1.076 61 W CA -0.678 56.674 57.345 0.012 0.000 1.794 61 W CB -1.012 28.606 29.460 0.263 0.000 1.113 61 W HN 0.105 nan 8.180 nan 0.000 0.584 62 Y N -0.804 119.152 120.300 -0.574 0.000 2.634 62 Y HA 0.622 5.171 4.550 -0.001 0.000 0.340 62 Y C -0.189 175.508 175.900 -0.339 0.000 1.058 62 Y CA -2.222 55.522 58.100 -0.595 0.000 1.081 62 Y CB 0.431 38.306 38.460 -0.976 0.000 1.295 62 Y HN -0.078 nan 8.280 nan 0.000 0.487 63 E N 1.968 122.117 120.200 -0.086 0.000 2.265 63 E HA 0.002 4.352 4.350 -0.001 0.000 0.272 63 E C 0.335 176.958 176.600 0.039 0.000 1.067 63 E CA -0.194 56.164 56.400 -0.069 0.000 0.900 63 E CB 0.800 30.491 29.700 -0.013 0.000 1.017 63 E HN 0.749 nan 8.360 nan 0.000 0.431 64 Q N 3.132 122.881 119.800 -0.085 0.000 2.061 64 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 64 Q C 1.674 177.801 176.000 0.211 0.000 0.984 64 Q CA 1.803 57.633 55.803 0.045 0.000 0.846 64 Q CB -0.230 28.452 28.738 -0.094 0.000 0.902 64 Q HN 0.665 nan 8.270 nan 0.000 0.421 65 E N 1.194 121.453 120.200 0.099 0.000 2.097 65 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 65 E C 1.979 178.635 176.600 0.093 0.000 1.000 65 E CA 1.517 57.970 56.400 0.089 0.000 0.804 65 E CB -0.164 29.559 29.700 0.039 0.000 0.740 65 E HN 0.212 nan 8.360 nan 0.000 0.454 66 R N -0.959 119.598 120.500 0.095 0.000 2.075 66 R HA -0.153 4.187 4.340 -0.001 0.000 0.232 66 R C 2.247 178.591 176.300 0.073 0.000 1.126 66 R CA 1.600 57.740 56.100 0.068 0.000 0.963 66 R CB -0.740 29.591 30.300 0.052 0.000 0.858 66 R HN 0.431 nan 8.270 nan 0.000 0.435 67 W N 1.046 122.321 121.300 -0.041 0.000 2.333 67 W HA -0.223 4.437 4.660 -0.001 0.000 0.316 67 W C 1.996 178.468 176.519 -0.078 0.000 1.215 67 W CA 2.372 59.663 57.345 -0.091 0.000 1.278 67 W CB -0.483 28.948 29.460 -0.048 0.000 1.154 67 W HN 0.177 nan 8.180 nan 0.000 0.486 68 A N -0.209 122.589 122.820 -0.037 0.000 1.933 68 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 68 A C 1.662 179.099 177.584 -0.245 0.000 1.175 68 A CA 2.137 53.996 52.037 -0.295 0.000 0.628 68 A CB -1.256 17.807 19.000 0.105 0.000 0.814 68 A HN 0.461 nan 8.150 nan 0.000 0.444 69 D N -0.740 119.586 120.400 -0.123 0.000 2.264 69 D HA -0.040 4.600 4.640 -0.001 0.000 0.208 69 D C 1.490 177.681 176.300 -0.183 0.000 0.966 69 D CA 0.855 54.802 54.000 -0.088 0.000 0.864 69 D CB -0.079 40.727 40.800 0.010 0.000 0.933 69 D HN 0.445 nan 8.370 nan 0.000 0.499 70 L N -0.565 120.487 121.223 -0.286 0.000 2.638 70 L HA 0.244 4.584 4.340 -0.001 0.000 0.232 70 L C 0.581 177.235 176.870 -0.361 0.000 1.099 70 L CA -0.198 54.420 54.840 -0.371 0.000 0.883 70 L CB 0.318 42.172 42.059 -0.343 0.000 1.136 70 L HN -0.159 nan 8.230 nan 0.000 0.492 71 S N 1.144 116.591 115.700 -0.421 0.000 2.562 71 S HA 0.437 4.907 4.470 -0.001 0.000 0.281 71 S C 0.488 174.968 174.600 -0.200 0.000 1.333 71 S CA -0.536 57.473 58.200 -0.318 0.000 1.052 71 S CB 1.283 64.154 63.200 -0.548 0.000 0.884 71 S HN 0.265 nan 8.310 nan 0.000 0.506 72 A N 2.464 125.230 122.820 -0.091 0.000 2.313 72 A HA 0.665 4.985 4.320 -0.001 0.000 0.261 72 A C 0.300 177.778 177.584 -0.177 0.000 1.090 72 A CA -0.495 51.362 52.037 -0.300 0.000 0.807 72 A CB 0.122 18.718 19.000 -0.675 0.000 1.055 72 A HN 0.938 nan 8.150 nan 0.000 0.492 73 K N 0.160 120.391 120.400 -0.283 0.000 2.507 73 K HA 0.722 5.041 4.320 -0.001 0.000 0.251 73 K C -0.458 176.148 176.600 0.010 0.000 0.943 73 K CA -0.020 56.177 56.287 -0.151 0.000 0.794 73 K CB 1.362 33.661 32.500 -0.335 0.000 1.188 73 K HN 2.101 nan 8.250 nan 0.000 0.428 74 A N 2.323 125.188 122.820 0.075 0.000 2.350 74 A HA 0.572 4.892 4.320 -0.001 0.000 0.293 74 A C 0.451 178.179 177.584 0.239 0.000 1.231 74 A CA -0.024 52.052 52.037 0.064 0.000 0.883 74 A CB -0.658 18.348 19.000 0.009 0.000 1.133 74 A HN 1.512 nan 8.150 nan 0.000 0.533 75 Y N 0.476 120.841 120.300 0.109 0.000 2.526 75 Y HA 0.374 4.923 4.550 -0.000 0.000 0.265 75 Y C 0.214 176.291 175.900 0.295 0.000 1.092 75 Y CA -0.208 58.036 58.100 0.241 0.000 1.277 75 Y CB 0.488 39.096 38.460 0.248 0.000 1.228 75 Y HN 0.445 nan 8.280 nan 0.000 0.507 76 D N 0.721 120.802 120.400 -0.532 0.000 2.505 76 D HA 0.312 4.951 4.640 -0.001 0.000 0.249 76 D C -1.839 174.312 176.300 -0.249 0.000 1.082 76 D CA -0.568 53.284 54.000 -0.246 0.000 0.839 76 D CB 1.626 42.145 40.800 -0.468 0.000 1.317 76 D HN 0.117 nan 8.370 nan 0.000 0.497 77 F N 2.078 122.029 119.950 0.001 0.000 2.536 77 F HA 0.252 4.779 4.527 -0.001 0.000 0.322 77 F C -0.168 175.760 175.800 0.213 0.000 1.144 77 F CA -1.022 57.050 58.000 0.120 0.000 0.924 77 F CB 1.820 40.879 39.000 0.098 0.000 1.181 77 F HN 0.350 nan 8.300 nan 0.000 0.438 78 H N 1.641 120.873 119.070 0.272 0.000 2.589 78 H HA 0.278 4.834 4.556 -0.001 0.000 0.335 78 H C -1.155 174.208 175.328 0.058 0.000 1.019 78 H CA -0.814 55.314 56.048 0.134 0.000 1.213 78 H CB 1.206 30.956 29.762 -0.020 0.000 1.472 78 H HN 0.565 nan 8.280 nan 0.000 0.508 79 D N 4.312 124.471 120.400 -0.401 0.000 2.383 79 D HA -0.006 4.633 4.640 -0.001 0.000 0.252 79 D C 0.750 176.730 176.300 -0.534 0.000 1.166 79 D CA -0.134 53.444 54.000 -0.704 0.000 0.879 79 D CB 0.880 41.385 40.800 -0.493 0.000 1.164 79 D HN 0.510 nan 8.370 nan 0.000 0.462 80 M N 2.446 121.756 119.600 -0.483 0.000 2.435 80 M HA 0.175 4.655 4.480 -0.001 0.000 0.265 80 M C 1.700 177.877 176.300 -0.205 0.000 1.104 80 M CA 0.955 56.133 55.300 -0.203 0.000 1.140 80 M CB -0.802 31.751 32.600 -0.078 0.000 1.372 80 M HN 0.759 nan 8.290 nan 0.000 0.456 81 G N 1.379 109.975 108.800 -0.339 0.000 2.175 81 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 81 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 81 G C 0.200 175.015 174.900 -0.142 0.000 0.982 81 G CA 0.639 45.604 45.100 -0.225 0.000 0.641 81 G HN 0.549 nan 8.290 nan 0.000 0.527 82 D N -0.735 119.595 120.400 -0.117 0.000 2.440 82 D HA 0.450 5.090 4.640 -0.001 0.000 0.216 82 D C 1.646 177.931 176.300 -0.025 0.000 1.150 82 D CA 0.561 54.547 54.000 -0.022 0.000 0.832 82 D CB -0.200 40.653 40.800 0.087 0.000 0.992 82 D HN 1.537 nan 8.370 nan 0.000 0.502 83 G N 0.021 108.761 108.800 -0.099 0.000 2.201 83 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.212 83 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.212 83 G C 0.245 175.230 174.900 0.142 0.000 0.994 83 G CA 0.144 45.260 45.100 0.026 0.000 0.644 83 G HN 0.885 nan 8.290 nan 0.000 0.508 84 S N -0.608 115.106 115.700 0.023 0.000 2.568 84 S HA 0.820 5.290 4.470 -0.001 0.000 0.302 84 S C -0.523 174.115 174.600 0.063 0.000 1.082 84 S CA -0.769 57.580 58.200 0.249 0.000 1.009 84 S CB 2.171 65.584 63.200 0.355 0.000 1.069 84 S HN 0.480 nan 8.310 nan 0.000 0.500 85 W N 1.233 122.623 121.300 0.151 0.000 2.761 85 W HA 0.464 5.124 4.660 -0.001 0.000 0.340 85 W C -0.920 175.664 176.519 0.108 0.000 1.072 85 W CA -1.034 56.389 57.345 0.129 0.000 1.215 85 W CB 1.899 31.444 29.460 0.141 0.000 1.420 85 W HN 0.503 nan 8.180 nan 0.000 0.519 86 I N 4.393 125.121 120.570 0.264 0.000 2.281 86 I HA 0.086 4.255 4.170 -0.001 0.000 0.293 86 I C 0.213 176.369 176.117 0.065 0.000 1.085 86 I CA -0.500 60.879 61.300 0.131 0.000 1.257 86 I CB 0.083 38.073 38.000 -0.016 0.000 1.430 86 I HN 0.051 nan 8.210 nan 0.000 0.489 87 V N 5.972 125.881 119.914 -0.009 0.000 2.459 87 V HA 0.621 4.741 4.120 -0.001 0.000 0.295 87 V C -0.059 175.902 176.094 -0.222 0.000 1.029 87 V CA -0.872 61.257 62.300 -0.284 0.000 0.874 87 V CB 1.798 33.315 31.823 -0.511 0.000 0.985 87 V HN 0.662 nan 8.190 nan 0.000 0.438 88 R N 5.303 125.562 120.500 -0.401 0.000 2.312 88 R HA 0.746 5.086 4.340 -0.001 0.000 0.311 88 R C -0.792 175.355 176.300 -0.254 0.000 1.004 88 R CA -0.462 55.445 56.100 -0.322 0.000 0.902 88 R CB 1.715 31.719 30.300 -0.493 0.000 1.073 88 R HN 0.783 nan 8.270 nan 0.000 0.457 89 I N 1.487 122.114 120.570 0.094 0.000 2.509 89 I HA 0.479 4.648 4.170 -0.001 0.000 0.293 89 I C -0.314 175.940 176.117 0.229 0.000 1.020 89 I CA -1.016 60.375 61.300 0.151 0.000 1.088 89 I CB 2.193 40.278 38.000 0.141 0.000 1.267 89 I HN 0.603 nan 8.210 nan 0.000 0.430 90 A N 5.992 128.866 122.820 0.089 0.000 2.318 90 A HA 0.796 5.116 4.320 -0.001 0.000 0.324 90 A C -1.526 175.940 177.584 -0.197 0.000 1.170 90 A CA -0.317 51.780 52.037 0.100 0.000 0.810 90 A CB 0.552 19.626 19.000 0.125 0.000 1.198 90 A HN 0.632 nan 8.150 nan 0.000 0.484 91 Y N 2.668 123.088 120.300 0.200 0.000 2.361 91 Y HA 0.461 5.011 4.550 -0.001 0.000 0.337 91 Y C -2.220 173.777 175.900 0.162 0.000 0.965 91 Y CA -2.568 55.629 58.100 0.161 0.000 1.091 91 Y CB 2.130 40.806 38.460 0.359 0.000 1.182 91 Y HN 0.506 nan 8.280 nan 0.000 0.450 92 P HA -0.034 nan 4.420 nan 0.000 0.271 92 P C 0.540 177.868 177.300 0.046 0.000 1.216 92 P CA -0.134 62.987 63.100 0.035 0.000 0.771 92 P CB 0.559 32.134 31.700 -0.207 0.000 0.864 93 F N 3.230 123.326 119.950 0.244 0.000 2.202 93 F HA -0.203 4.323 4.527 -0.002 0.000 0.301 93 F C 1.870 177.789 175.800 0.198 0.000 1.082 93 F CA 1.308 59.460 58.000 0.254 0.000 1.313 93 F CB -1.790 37.316 39.000 0.176 0.000 1.024 93 F HN 0.433 nan 8.300 nan 0.000 0.495 94 H N -0.194 118.501 119.070 -0.626 0.000 2.556 94 H HA 0.472 5.028 4.556 -0.000 0.000 0.273 94 H C 1.554 176.747 175.328 -0.225 0.000 1.030 94 H CA 0.541 56.367 56.048 -0.370 0.000 1.156 94 H CB -0.632 28.801 29.762 -0.548 0.000 1.326 94 H HN 0.449 nan 8.280 nan 0.000 0.609 95 A N 0.519 123.012 122.820 -0.546 0.000 2.081 95 A HA 0.208 4.528 4.320 -0.001 0.000 0.214 95 A C 0.245 177.462 177.584 -0.611 0.000 1.158 95 A CA -0.086 51.550 52.037 -0.669 0.000 0.724 95 A CB -0.074 18.412 19.000 -0.857 0.000 0.826 95 A HN 0.187 nan 8.150 nan 0.000 0.463 96 F N -0.168 119.747 119.950 -0.059 0.000 2.483 96 F HA 0.445 4.971 4.527 -0.001 0.000 0.329 96 F C 0.562 176.352 175.800 -0.018 0.000 1.064 96 F CA -1.216 56.760 58.000 -0.039 0.000 0.986 96 F CB 0.764 39.733 39.000 -0.052 0.000 1.218 96 F HN 0.125 nan 8.300 nan 0.000 0.484 97 E N 1.073 121.374 120.200 0.168 0.000 2.392 97 E HA 0.002 4.352 4.350 -0.001 0.000 0.264 97 E C -0.614 176.024 176.600 0.062 0.000 1.024 97 E CA -0.337 56.114 56.400 0.085 0.000 0.903 97 E CB 0.594 30.324 29.700 0.050 0.000 0.963 97 E HN 0.620 nan 8.360 nan 0.000 0.432 98 E N 2.008 122.230 120.200 0.036 0.000 2.376 98 E HA 0.147 4.497 4.350 -0.001 0.000 0.266 98 E C -0.315 176.237 176.600 -0.080 0.000 1.009 98 E CA 0.832 57.226 56.400 -0.011 0.000 0.902 98 E CB 0.427 30.124 29.700 -0.006 0.000 0.972 98 E HN 0.679 nan 8.360 nan 0.000 0.439 99 A N 4.297 127.018 122.820 -0.166 0.000 2.610 99 A HA -0.232 4.088 4.320 -0.001 0.000 0.299 99 A C -0.100 177.372 177.584 -0.186 0.000 1.487 99 A CA 0.972 52.855 52.037 -0.257 0.000 0.743 99 A CB -1.615 17.244 19.000 -0.235 0.000 1.070 99 A HN 0.506 nan 8.150 nan 0.000 0.439 100 N N -0.304 118.307 118.700 -0.149 0.000 2.727 100 N HA 0.373 5.112 4.740 -0.001 0.000 0.252 100 N C 0.396 175.851 175.510 -0.092 0.000 1.283 100 N CA -0.228 52.771 53.050 -0.085 0.000 0.782 100 N CB 0.548 39.015 38.487 -0.033 0.000 1.199 100 N HN 0.374 nan 8.380 nan 0.000 0.520 101 L N 4.441 125.618 121.223 -0.077 0.000 2.012 101 L HA 0.181 4.520 4.340 -0.001 0.000 0.210 101 L C -0.966 175.828 176.870 -0.128 0.000 1.073 101 L CA 2.094 56.891 54.840 -0.073 0.000 0.748 101 L CB -0.921 41.176 42.059 0.063 0.000 0.891 101 L HN 0.336 nan 8.230 nan 0.000 0.431 102 P HA -0.150 nan 4.420 nan 0.000 0.216 102 P C 1.636 178.909 177.300 -0.045 0.000 1.157 102 P CA 1.986 65.069 63.100 -0.027 0.000 0.880 102 P CB -0.443 31.295 31.700 0.063 0.000 0.791 103 G N -0.323 108.462 108.800 -0.024 0.000 2.418 103 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 103 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 103 G C 1.540 176.433 174.900 -0.012 0.000 1.158 103 G CA 0.517 45.620 45.100 0.006 0.000 0.771 103 G HN 0.278 nan 8.290 nan 0.000 0.545 104 L N -0.045 121.103 121.223 -0.125 0.000 2.056 104 L HA 0.108 4.448 4.340 -0.001 0.000 0.207 104 L C 2.780 179.494 176.870 -0.260 0.000 1.078 104 L CA 0.816 55.462 54.840 -0.324 0.000 0.749 104 L CB -0.149 41.587 42.059 -0.538 0.000 0.901 104 L HN 0.185 nan 8.230 nan 0.000 0.433 105 L N -0.187 120.894 121.223 -0.237 0.000 2.131 105 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 105 L C 2.803 179.613 176.870 -0.101 0.000 1.092 105 L CA 1.024 55.725 54.840 -0.232 0.000 0.759 105 L CB -0.799 41.023 42.059 -0.396 0.000 0.903 105 L HN 0.360 nan 8.230 nan 0.000 0.435 106 A N -0.971 121.818 122.820 -0.053 0.000 1.972 106 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 106 A C 2.493 180.095 177.584 0.030 0.000 1.169 106 A CA 2.110 54.153 52.037 0.011 0.000 0.635 106 A CB -0.367 18.651 19.000 0.031 0.000 0.810 106 A HN 0.380 nan 8.150 nan 0.000 0.446 107 S N -0.334 115.386 115.700 0.034 0.000 2.341 107 S HA -0.032 4.438 4.470 -0.001 0.000 0.216 107 S C 1.652 176.262 174.600 0.017 0.000 1.034 107 S CA 1.286 59.529 58.200 0.072 0.000 0.964 107 S CB -0.358 62.987 63.200 0.241 0.000 0.882 107 S HN 0.729 nan 8.310 nan 0.000 0.469 108 I N -0.366 120.172 120.570 -0.053 0.000 3.578 108 I HA 0.440 4.610 4.170 -0.001 0.000 0.295 108 I C 0.883 177.055 176.117 0.090 0.000 1.280 108 I CA -0.065 61.236 61.300 0.001 0.000 1.347 108 I CB -0.217 37.693 38.000 -0.151 0.000 1.051 108 I HN 0.138 nan 8.210 nan 0.000 0.460 109 A N 0.120 122.972 122.820 0.054 0.000 2.843 109 A HA 0.821 5.141 4.320 -0.001 0.000 0.248 109 A C 0.712 178.460 177.584 0.273 0.000 0.904 109 A CA 0.018 52.189 52.037 0.223 0.000 1.091 109 A CB -0.739 18.396 19.000 0.225 0.000 1.208 109 A HN 0.388 nan 8.150 nan 0.000 0.476 110 G N 0.019 108.883 108.800 0.107 0.000 3.434 110 G HA2 0.252 4.212 3.960 -0.001 0.000 0.197 110 G HA3 0.252 4.212 3.960 -0.001 0.000 0.197 110 G C 0.675 175.651 174.900 0.127 0.000 1.559 110 G CA 0.157 45.334 45.100 0.128 0.000 0.852 110 G HN 0.189 nan 8.290 nan 0.000 0.682 111 N N 1.211 119.946 118.700 0.058 0.000 2.258 111 N HA -0.138 4.601 4.740 -0.001 0.000 0.187 111 N C 2.365 177.873 175.510 -0.005 0.000 1.012 111 N CA 1.365 54.444 53.050 0.049 0.000 0.870 111 N CB -0.477 38.030 38.487 0.033 0.000 0.977 111 N HN 0.613 nan 8.380 nan 0.000 0.434 112 I N -2.494 117.997 120.570 -0.133 0.000 2.315 112 I HA -0.220 3.950 4.170 -0.001 0.000 0.251 112 I C 1.328 177.309 176.117 -0.227 0.000 1.125 112 I CA 1.361 62.497 61.300 -0.274 0.000 1.392 112 I CB -0.770 36.936 38.000 -0.489 0.000 1.065 112 I HN -0.193 nan 8.210 nan 0.000 0.424 113 F N 2.229 122.174 119.950 -0.008 0.000 2.546 113 F HA 0.076 4.603 4.527 -0.001 0.000 0.298 113 F C 2.359 178.247 175.800 0.147 0.000 1.120 113 F CA 1.152 59.191 58.000 0.065 0.000 1.456 113 F CB -0.499 38.518 39.000 0.029 0.000 1.088 113 F HN 0.181 nan 8.300 nan 0.000 0.572 114 G N -1.164 107.756 108.800 0.201 0.000 3.192 114 G HA2 0.187 4.146 3.960 -0.001 0.000 0.239 114 G HA3 0.187 4.146 3.960 -0.001 0.000 0.239 114 G C 0.595 175.525 174.900 0.049 0.000 1.084 114 G CA -0.325 44.854 45.100 0.132 0.000 0.784 114 G HN 0.051 nan 8.290 nan 0.000 0.540 115 M N 0.960 120.564 119.600 0.007 0.000 2.238 115 M HA 0.153 4.632 4.480 -0.001 0.000 0.350 115 M C 1.234 177.499 176.300 -0.058 0.000 1.321 115 M CA 0.231 55.498 55.300 -0.055 0.000 1.097 115 M CB 1.233 33.756 32.600 -0.127 0.000 1.713 115 M HN -0.012 nan 8.290 nan 0.000 0.455 116 K N 1.619 121.976 120.400 -0.071 0.000 2.209 116 K HA -0.148 4.172 4.320 -0.001 0.000 0.204 116 K C 1.800 178.321 176.600 -0.131 0.000 1.048 116 K CA 1.162 57.408 56.287 -0.068 0.000 0.940 116 K CB -0.087 32.384 32.500 -0.049 0.000 0.729 116 K HN 0.535 nan 8.250 nan 0.000 0.451 117 R N 1.423 121.775 120.500 -0.246 0.000 2.293 117 R HA -0.066 4.274 4.340 -0.001 0.000 0.219 117 R C 0.039 176.166 176.300 -0.288 0.000 1.091 117 R CA 0.594 56.407 56.100 -0.480 0.000 1.004 117 R CB 0.091 30.044 30.300 -0.579 0.000 0.865 117 R HN 0.041 nan 8.270 nan 0.000 0.469 118 V N -2.197 117.633 119.914 -0.140 0.000 2.604 118 V HA 0.335 4.455 4.120 -0.001 0.000 0.305 118 V C 0.514 176.622 176.094 0.023 0.000 1.043 118 V CA -1.025 61.251 62.300 -0.040 0.000 0.888 118 V CB 2.000 33.807 31.823 -0.026 0.000 0.995 118 V HN -0.014 nan 8.190 nan 0.000 0.429 119 K N 3.025 123.461 120.400 0.061 0.000 2.186 119 K HA 0.368 4.687 4.320 -0.001 0.000 0.202 119 K C 0.714 177.364 176.600 0.083 0.000 1.052 119 K CA 1.144 57.464 56.287 0.056 0.000 0.965 119 K CB 0.233 32.769 32.500 0.060 0.000 0.746 119 K HN 1.100 nan 8.250 nan 0.000 0.457 120 G N 0.882 109.796 108.800 0.189 0.000 2.766 120 G HA2 0.468 4.427 3.960 -0.001 0.000 0.297 120 G HA3 0.468 4.427 3.960 -0.001 0.000 0.297 120 G C -2.388 172.768 174.900 0.427 0.000 1.431 120 G CA -0.652 44.679 45.100 0.384 0.000 1.042 120 G HN 0.055 nan 8.290 nan 0.000 0.542 121 L N 1.706 123.272 121.223 0.573 0.000 2.406 121 L HA 0.796 5.136 4.340 -0.001 0.000 0.272 121 L C -0.657 176.407 176.870 0.325 0.000 0.980 121 L CA -0.968 54.046 54.840 0.289 0.000 0.831 121 L CB 1.752 43.843 42.059 0.053 0.000 1.253 121 L HN 0.464 nan 8.230 nan 0.000 0.406 122 R N 4.743 125.457 120.500 0.357 0.000 2.388 122 R HA 0.394 4.734 4.340 -0.001 0.000 0.314 122 R C -1.472 175.040 176.300 0.354 0.000 0.959 122 R CA -0.915 55.386 56.100 0.335 0.000 0.851 122 R CB 1.364 31.801 30.300 0.228 0.000 1.168 122 R HN 0.663 nan 8.270 nan 0.000 0.472 123 L N 5.123 126.574 121.223 0.380 0.000 2.485 123 L HA 0.145 4.484 4.340 -0.001 0.000 0.279 123 L C 1.053 177.955 176.870 0.054 0.000 1.124 123 L CA 0.744 55.658 54.840 0.123 0.000 0.888 123 L CB 0.597 42.769 42.059 0.188 0.000 1.217 123 L HN 0.539 nan 8.230 nan 0.000 0.464 124 E N 2.294 122.476 120.200 -0.030 0.000 2.190 124 E HA 0.085 4.435 4.350 -0.001 0.000 0.191 124 E C -0.142 176.481 176.600 0.038 0.000 0.978 124 E CA 0.444 56.845 56.400 0.003 0.000 0.839 124 E CB 0.391 30.082 29.700 -0.014 0.000 0.787 124 E HN 0.685 nan 8.360 nan 0.000 0.473 125 D N -1.007 119.379 120.400 -0.024 0.000 2.648 125 D HA 0.335 4.975 4.640 -0.001 0.000 0.244 125 D C -1.646 174.616 176.300 -0.063 0.000 1.244 125 D CA -0.461 53.577 54.000 0.063 0.000 0.772 125 D CB 1.297 42.155 40.800 0.097 0.000 1.379 125 D HN -0.144 nan 8.370 nan 0.000 0.428 126 L N 3.056 124.225 121.223 -0.091 0.000 2.404 126 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 126 L C -1.212 175.486 176.870 -0.287 0.000 0.980 126 L CA -1.006 53.693 54.840 -0.234 0.000 0.836 126 L CB 1.742 43.534 42.059 -0.446 0.000 1.238 126 L HN 0.432 nan 8.230 nan 0.000 0.408 127 Y N 4.386 124.583 120.300 -0.171 0.000 2.327 127 Y HA 0.498 5.048 4.550 -0.001 0.000 0.336 127 Y C -1.116 174.828 175.900 0.073 0.000 1.035 127 Y CA -0.338 57.708 58.100 -0.089 0.000 1.165 127 Y CB 0.662 39.152 38.460 0.049 0.000 1.181 127 Y HN 0.254 nan 8.280 nan 0.000 0.494 128 F N 8.033 127.530 119.950 -0.755 0.000 2.427 128 F HA 0.442 4.969 4.527 0.000 0.000 0.346 128 F C -2.140 173.133 175.800 -0.878 0.000 1.120 128 F CA -3.576 54.067 58.000 -0.595 0.000 1.033 128 F CB 1.106 39.908 39.000 -0.330 0.000 1.126 128 F HN 0.439 nan 8.300 nan 0.000 0.462 129 P HA 0.016 nan 4.420 nan 0.000 0.272 129 P C 0.765 177.990 177.300 -0.125 0.000 1.230 129 P CA -0.052 62.980 63.100 -0.114 0.000 0.788 129 P CB 1.016 32.763 31.700 0.078 0.000 0.949 130 E N 1.308 121.459 120.200 -0.081 0.000 2.187 130 E HA -0.309 4.041 4.350 -0.001 0.000 0.199 130 E C 1.677 178.105 176.600 -0.286 0.000 1.004 130 E CA 1.709 57.955 56.400 -0.256 0.000 0.813 130 E CB -0.101 29.323 29.700 -0.461 0.000 0.736 130 E HN 0.209 nan 8.360 nan 0.000 0.468 131 K N 0.335 120.568 120.400 -0.279 0.000 2.044 131 K HA -0.182 4.138 4.320 -0.001 0.000 0.210 131 K C 1.922 178.356 176.600 -0.277 0.000 1.049 131 K CA 1.456 57.536 56.287 -0.344 0.000 0.927 131 K CB -0.370 31.775 32.500 -0.591 0.000 0.713 131 K HN 0.146 nan 8.250 nan 0.000 0.443 132 L N 0.426 121.502 121.223 -0.245 0.000 2.131 132 L HA -0.026 4.313 4.340 -0.001 0.000 0.206 132 L C 2.112 178.975 176.870 -0.012 0.000 1.087 132 L CA 0.914 55.617 54.840 -0.228 0.000 0.767 132 L CB -0.479 41.305 42.059 -0.459 0.000 0.917 132 L HN 0.197 nan 8.230 nan 0.000 0.441 133 I N -0.072 120.511 120.570 0.022 0.000 2.151 133 I HA -0.316 3.853 4.170 -0.001 0.000 0.243 133 I C 2.298 178.498 176.117 0.139 0.000 1.080 133 I CA 1.543 62.926 61.300 0.139 0.000 1.339 133 I CB -1.027 37.013 38.000 0.066 0.000 1.039 133 I HN 0.338 nan 8.210 nan 0.000 0.409 134 R N 0.589 121.068 120.500 -0.035 0.000 2.339 134 R HA -0.066 4.274 4.340 -0.001 0.000 0.199 134 R C 1.452 177.712 176.300 -0.067 0.000 1.018 134 R CA 0.269 56.334 56.100 -0.059 0.000 1.036 134 R CB -0.119 30.091 30.300 -0.150 0.000 0.899 134 R HN 0.533 nan 8.270 nan 0.000 0.473 135 E N -0.312 119.830 120.200 -0.096 0.000 2.489 135 E HA 0.032 4.381 4.350 -0.001 0.000 0.193 135 E C -0.420 175.935 176.600 -0.408 0.000 1.057 135 E CA 0.282 56.521 56.400 -0.268 0.000 0.866 135 E CB 0.288 29.751 29.700 -0.395 0.000 0.916 135 E HN 0.102 nan 8.360 nan 0.000 0.500 136 F N -0.198 119.731 119.950 -0.035 0.000 2.541 136 F HA 0.232 4.760 4.527 0.000 0.000 0.331 136 F C 1.219 177.026 175.800 0.012 0.000 1.057 136 F CA -0.897 57.107 58.000 0.006 0.000 0.975 136 F CB 1.293 40.320 39.000 0.045 0.000 1.246 136 F HN -0.240 nan 8.300 nan 0.000 0.484 137 D N 0.357 120.886 120.400 0.216 0.000 2.388 137 D HA 0.230 4.870 4.640 -0.001 0.000 0.208 137 D C 1.148 177.522 176.300 0.122 0.000 1.035 137 D CA 1.134 55.206 54.000 0.121 0.000 0.875 137 D CB 0.458 41.299 40.800 0.069 0.000 0.984 137 D HN 0.734 nan 8.370 nan 0.000 0.508 138 G N 1.616 110.511 108.800 0.158 0.000 2.750 138 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.228 138 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.228 138 G C -2.671 172.272 174.900 0.072 0.000 1.367 138 G CA -0.989 44.172 45.100 0.102 0.000 0.871 138 G HN -0.011 nan 8.290 nan 0.000 0.560 139 P HA 0.424 nan 4.420 nan 0.000 0.268 139 P C 0.717 178.044 177.300 0.046 0.000 1.204 139 P CA 0.891 64.025 63.100 0.056 0.000 0.768 139 P CB 1.006 32.732 31.700 0.043 0.000 0.842 140 A N 2.131 124.987 122.820 0.060 0.000 1.975 140 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 140 A C 1.351 178.834 177.584 -0.170 0.000 1.170 140 A CA 1.241 53.246 52.037 -0.053 0.000 0.656 140 A CB -0.992 17.968 19.000 -0.067 0.000 0.821 140 A HN 0.483 nan 8.150 nan 0.000 0.449 141 F N -0.885 119.061 119.950 -0.007 0.000 2.390 141 F HA 0.415 4.942 4.527 -0.000 0.000 0.281 141 F C 1.782 177.585 175.800 0.004 0.000 1.016 141 F CA 0.785 58.785 58.000 0.000 0.000 1.286 141 F CB -0.551 38.449 39.000 -0.001 0.000 1.134 141 F HN 0.434 nan 8.300 nan 0.000 0.597 142 G N 1.106 110.034 108.800 0.213 0.000 2.752 142 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.234 142 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.234 142 G C 0.732 175.682 174.900 0.084 0.000 1.367 142 G CA -0.083 45.070 45.100 0.089 0.000 0.879 142 G HN 0.268 nan 8.290 nan 0.000 0.563 143 I N 0.303 120.809 120.570 -0.107 0.000 2.163 143 I HA -0.201 3.969 4.170 -0.001 0.000 0.243 143 I C 2.750 178.804 176.117 -0.104 0.000 1.085 143 I CA 2.195 63.277 61.300 -0.364 0.000 1.347 143 I CB -0.285 37.306 38.000 -0.682 0.000 1.044 143 I HN 0.782 nan 8.210 nan 0.000 0.408 144 E N 1.732 121.899 120.200 -0.055 0.000 2.085 144 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 144 E C 2.170 178.829 176.600 0.099 0.000 0.994 144 E CA 1.900 58.307 56.400 0.012 0.000 0.801 144 E CB -0.357 29.341 29.700 -0.003 0.000 0.743 144 E HN 0.484 nan 8.360 nan 0.000 0.453 145 G N 0.747 109.640 108.800 0.155 0.000 2.422 145 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 145 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 145 G C 1.779 176.894 174.900 0.358 0.000 1.146 145 G CA 1.000 46.278 45.100 0.296 0.000 0.769 145 G HN 0.249 nan 8.290 nan 0.000 0.547 146 V N 0.420 120.517 119.914 0.305 0.000 2.346 146 V HA -0.064 4.055 4.120 -0.001 0.000 0.244 146 V C 2.858 179.112 176.094 0.268 0.000 1.037 146 V CA 1.511 63.973 62.300 0.271 0.000 1.029 146 V CB -0.448 31.597 31.823 0.370 0.000 0.663 146 V HN 0.263 nan 8.190 nan 0.000 0.454 147 R N 0.198 120.881 120.500 0.305 0.000 2.091 147 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 147 R C 2.468 178.864 176.300 0.160 0.000 1.136 147 R CA 1.456 57.698 56.100 0.237 0.000 0.959 147 R CB -0.372 30.043 30.300 0.191 0.000 0.856 147 R HN 0.333 nan 8.270 nan 0.000 0.437 148 K N 1.151 121.639 120.400 0.147 0.000 2.148 148 K HA -0.114 4.206 4.320 -0.001 0.000 0.204 148 K C 1.998 178.674 176.600 0.127 0.000 1.050 148 K CA 1.110 57.468 56.287 0.120 0.000 0.942 148 K CB -0.066 32.499 32.500 0.110 0.000 0.724 148 K HN 0.183 nan 8.250 nan 0.000 0.446 149 M N 0.344 120.038 119.600 0.155 0.000 2.132 149 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 149 M C 1.465 177.831 176.300 0.110 0.000 1.065 149 M CA 1.483 56.864 55.300 0.134 0.000 1.122 149 M CB 0.106 32.770 32.600 0.108 0.000 1.365 149 M HN 0.066 nan 8.290 nan 0.000 0.411 150 L N -0.231 121.064 121.223 0.120 0.000 2.554 150 L HA 0.158 4.498 4.340 -0.001 0.000 0.225 150 L C 0.104 177.024 176.870 0.084 0.000 1.104 150 L CA 0.056 54.957 54.840 0.101 0.000 0.866 150 L CB -0.104 42.022 42.059 0.112 0.000 1.047 150 L HN 0.343 nan 8.230 nan 0.000 0.468 151 E N 0.876 121.130 120.200 0.089 0.000 2.320 151 E HA -0.208 4.142 4.350 -0.001 0.000 0.234 151 E C -0.372 176.271 176.600 0.071 0.000 1.183 151 E CA 0.265 56.709 56.400 0.073 0.000 0.713 151 E CB -1.512 28.222 29.700 0.056 0.000 1.226 151 E HN 0.451 nan 8.360 nan 0.000 0.382 152 I N -0.473 120.152 120.570 0.091 0.000 2.437 152 I HA 0.208 4.378 4.170 -0.001 0.000 0.279 152 I C 1.232 177.411 176.117 0.102 0.000 1.028 152 I CA -0.070 61.284 61.300 0.090 0.000 1.142 152 I CB 1.144 39.204 38.000 0.100 0.000 1.266 152 I HN 0.165 nan 8.210 nan 0.000 0.461 153 K N 3.649 124.094 120.400 0.075 0.000 2.076 153 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 153 K C 1.051 177.689 176.600 0.064 0.000 1.051 153 K CA 1.475 57.801 56.287 0.065 0.000 0.949 153 K CB -0.141 32.386 32.500 0.045 0.000 0.726 153 K HN 0.645 nan 8.250 nan 0.000 0.443 154 D N -1.031 119.405 120.400 0.060 0.000 3.084 154 D HA 0.052 4.692 4.640 -0.001 0.000 0.294 154 D C 0.661 176.999 176.300 0.065 0.000 1.165 154 D CA -0.028 54.002 54.000 0.051 0.000 1.008 154 D CB -0.012 40.806 40.800 0.030 0.000 1.266 154 D HN 0.494 nan 8.370 nan 0.000 0.449 155 R N 2.816 123.349 120.500 0.056 0.000 2.784 155 R HA 0.211 4.551 4.340 -0.001 0.000 0.266 155 R C -2.454 173.899 176.300 0.089 0.000 1.044 155 R CA -0.853 55.278 56.100 0.050 0.000 1.151 155 R CB -0.743 29.573 30.300 0.026 0.000 1.037 155 R HN -0.060 nan 8.270 nan 0.000 0.478 156 P HA 0.025 nan 4.420 nan 0.000 0.272 156 P C -0.193 177.160 177.300 0.088 0.000 1.223 156 P CA -0.221 62.943 63.100 0.106 0.000 0.784 156 P CB 0.449 32.191 31.700 0.071 0.000 0.923 157 I N 1.815 122.413 120.570 0.046 0.000 2.638 157 I HA 0.130 4.300 4.170 -0.001 0.000 0.286 157 I C 0.289 176.496 176.117 0.152 0.000 1.088 157 I CA -0.262 61.070 61.300 0.054 0.000 1.397 157 I CB -0.806 37.145 38.000 -0.081 0.000 1.414 157 I HN 0.436 nan 8.210 nan 0.000 0.566 158 Y N 4.096 124.390 120.300 -0.010 0.000 2.361 158 Y HA 0.743 5.293 4.550 -0.001 0.000 0.337 158 Y C -0.306 175.302 175.900 -0.487 0.000 0.965 158 Y CA -0.824 57.195 58.100 -0.135 0.000 1.091 158 Y CB 1.670 40.046 38.460 -0.141 0.000 1.182 158 Y HN 0.695 nan 8.280 nan 0.000 0.450 159 G N 3.088 111.051 108.800 -1.395 0.000 2.725 159 G HA2 0.630 4.590 3.960 -0.001 0.000 0.288 159 G HA3 0.630 4.590 3.960 -0.001 0.000 0.288 159 G C -2.316 171.828 174.900 -1.261 0.000 1.399 159 G CA -0.977 42.629 45.100 -2.491 0.000 0.859 159 G HN 0.608 nan 8.290 nan 0.000 0.479 160 V N 0.108 119.479 119.914 -0.904 0.000 2.638 160 V HA 0.469 4.589 4.120 -0.001 0.000 0.306 160 V C -0.321 175.694 176.094 -0.131 0.000 1.052 160 V CA -0.707 61.371 62.300 -0.369 0.000 0.885 160 V CB 1.819 33.455 31.823 -0.312 0.000 0.999 160 V HN 0.590 nan 8.190 nan 0.000 0.424 161 V N 7.122 127.035 119.914 -0.002 0.000 2.406 161 V HA 0.314 4.434 4.120 -0.001 0.000 0.272 161 V C -2.222 173.905 176.094 0.054 0.000 1.043 161 V CA -1.896 60.453 62.300 0.081 0.000 0.915 161 V CB 1.543 33.444 31.823 0.131 0.000 0.988 161 V HN 0.741 nan 8.190 nan 0.000 0.466 162 P HA 0.160 nan 4.420 nan 0.000 0.264 162 P C -0.649 176.658 177.300 0.012 0.000 1.193 162 P CA 0.043 63.112 63.100 -0.052 0.000 0.763 162 P CB 0.399 31.963 31.700 -0.227 0.000 0.810 163 K N 3.863 124.256 120.400 -0.012 0.000 2.316 163 K HA 0.511 4.831 4.320 -0.001 0.000 0.251 163 K C -2.414 174.207 176.600 0.035 0.000 0.934 163 K CA -2.138 54.181 56.287 0.053 0.000 0.802 163 K CB 0.714 33.247 32.500 0.056 0.000 1.171 163 K HN 0.223 nan 8.250 nan 0.000 0.426 164 P HA 0.102 nan 4.420 nan 0.000 0.269 164 P C 0.546 177.971 177.300 0.208 0.000 1.217 164 P CA -0.199 62.979 63.100 0.129 0.000 0.783 164 P CB 0.720 32.488 31.700 0.112 0.000 0.898 165 K N -0.001 120.483 120.400 0.140 0.000 2.044 165 K HA -0.053 4.266 4.320 -0.001 0.000 0.210 165 K C 0.926 177.613 176.600 0.144 0.000 1.049 165 K CA 1.524 57.894 56.287 0.138 0.000 0.927 165 K CB -0.441 32.101 32.500 0.069 0.000 0.713 165 K HN 0.450 nan 8.250 nan 0.000 0.443 166 V N -5.689 114.255 119.914 0.050 0.000 3.160 166 V HA 0.785 4.904 4.120 -0.001 0.000 0.310 166 V C 0.259 176.237 176.094 -0.192 0.000 1.181 166 V CA -0.316 61.920 62.300 -0.106 0.000 1.047 166 V CB 1.632 33.424 31.823 -0.052 0.000 1.068 166 V HN 0.409 nan 8.190 nan 0.000 0.441 167 G N 0.525 109.045 108.800 -0.467 0.000 2.175 167 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.182 167 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.182 167 G C -0.458 174.318 174.900 -0.207 0.000 1.003 167 G CA 0.202 45.025 45.100 -0.462 0.000 0.666 167 G HN 2.266 nan 8.290 nan 0.000 0.506 168 Y N 1.061 121.296 120.300 -0.108 0.000 2.509 168 Y HA 0.836 5.386 4.550 -0.001 0.000 0.341 168 Y C 0.413 176.319 175.900 0.010 0.000 1.038 168 Y CA -1.183 56.899 58.100 -0.030 0.000 1.089 168 Y CB 1.130 39.599 38.460 0.016 0.000 1.241 168 Y HN 0.491 nan 8.280 nan 0.000 0.468 169 S N 1.535 117.345 115.700 0.183 0.000 2.669 169 S HA 0.383 4.853 4.470 -0.001 0.000 0.270 169 S C -1.982 172.742 174.600 0.205 0.000 1.225 169 S CA -1.275 56.993 58.200 0.113 0.000 0.991 169 S CB 1.371 64.627 63.200 0.094 0.000 0.987 169 S HN 0.664 nan 8.310 nan 0.000 0.552 170 P HA -0.060 nan 4.420 nan 0.000 0.217 170 P C 0.823 178.229 177.300 0.177 0.000 1.150 170 P CA 1.212 64.411 63.100 0.165 0.000 0.832 170 P CB -0.041 31.692 31.700 0.054 0.000 0.787 171 E N 0.596 120.858 120.200 0.104 0.000 2.077 171 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 171 E C 2.069 178.705 176.600 0.059 0.000 0.989 171 E CA 1.263 57.698 56.400 0.058 0.000 0.800 171 E CB -0.729 28.995 29.700 0.040 0.000 0.746 171 E HN 0.442 nan 8.360 nan 0.000 0.452 172 E N -0.346 119.918 120.200 0.107 0.000 2.106 172 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 172 E C 1.701 178.353 176.600 0.087 0.000 0.984 172 E CA 0.675 57.129 56.400 0.089 0.000 0.806 172 E CB -0.174 29.602 29.700 0.127 0.000 0.750 172 E HN 0.208 nan 8.360 nan 0.000 0.458 173 F N 2.229 122.189 119.950 0.017 0.000 2.134 173 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 173 F C 2.213 177.956 175.800 -0.095 0.000 1.097 173 F CA 1.728 59.700 58.000 -0.048 0.000 1.264 173 F CB -0.102 38.942 39.000 0.073 0.000 1.001 173 F HN -0.070 nan 8.300 nan 0.000 0.479 174 E N 0.418 120.507 120.200 -0.186 0.000 2.058 174 E HA -0.335 4.014 4.350 -0.001 0.000 0.194 174 E C 2.240 178.692 176.600 -0.248 0.000 0.997 174 E CA 1.679 57.904 56.400 -0.291 0.000 0.801 174 E CB -0.239 29.377 29.700 -0.140 0.000 0.746 174 E HN 0.335 nan 8.360 nan 0.000 0.450 175 K N 0.547 120.854 120.400 -0.155 0.000 2.057 175 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 175 K C 2.104 178.640 176.600 -0.106 0.000 1.049 175 K CA 1.319 57.542 56.287 -0.107 0.000 0.931 175 K CB -0.529 31.927 32.500 -0.073 0.000 0.714 175 K HN 0.244 nan 8.250 nan 0.000 0.440 176 L N 0.413 121.534 121.223 -0.170 0.000 2.056 176 L HA 0.082 4.421 4.340 -0.001 0.000 0.207 176 L C 2.190 178.910 176.870 -0.251 0.000 1.078 176 L CA 2.040 56.770 54.840 -0.183 0.000 0.749 176 L CB -0.934 41.009 42.059 -0.193 0.000 0.901 176 L HN 0.268 nan 8.230 nan 0.000 0.433 177 A N -1.318 121.243 122.820 -0.431 0.000 1.902 177 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 177 A C 2.299 179.721 177.584 -0.270 0.000 1.181 177 A CA 1.838 53.592 52.037 -0.471 0.000 0.623 177 A CB -1.226 17.288 19.000 -0.811 0.000 0.818 177 A HN 0.620 nan 8.150 nan 0.000 0.443 178 Y N 1.287 121.406 120.300 -0.302 0.000 2.097 178 Y HA -0.258 4.292 4.550 -0.001 0.000 0.282 178 Y C 1.985 177.785 175.900 -0.166 0.000 1.152 178 Y CA 2.235 60.210 58.100 -0.209 0.000 1.136 178 Y CB -0.216 38.139 38.460 -0.175 0.000 0.975 178 Y HN 0.368 nan 8.280 nan 0.000 0.498 179 D N 0.181 120.564 120.400 -0.028 0.000 2.123 179 D HA -0.206 4.434 4.640 -0.001 0.000 0.196 179 D C 2.330 178.533 176.300 -0.162 0.000 0.992 179 D CA 1.708 55.659 54.000 -0.081 0.000 0.833 179 D CB -0.473 40.313 40.800 -0.024 0.000 0.954 179 D HN 0.410 nan 8.370 nan 0.000 0.455 180 L N -0.151 120.966 121.223 -0.176 0.000 2.023 180 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 180 L C 2.262 179.001 176.870 -0.217 0.000 1.073 180 L CA 0.449 55.179 54.840 -0.182 0.000 0.745 180 L CB -0.280 41.656 42.059 -0.204 0.000 0.900 180 L HN 0.042 nan 8.230 nan 0.000 0.435 181 L N -0.517 120.548 121.223 -0.263 0.000 2.191 181 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 181 L C 2.537 179.254 176.870 -0.256 0.000 1.103 181 L CA 1.438 56.123 54.840 -0.259 0.000 0.769 181 L CB -0.924 40.981 42.059 -0.255 0.000 0.908 181 L HN 0.103 nan 8.230 nan 0.000 0.438 182 S N -0.689 114.811 115.700 -0.334 0.000 2.522 182 S HA 0.033 4.502 4.470 -0.001 0.000 0.227 182 S C 1.159 175.640 174.600 -0.198 0.000 0.986 182 S CA 0.478 58.474 58.200 -0.339 0.000 0.929 182 S CB -0.228 62.648 63.200 -0.540 0.000 0.769 182 S HN 0.517 nan 8.310 nan 0.000 0.529 183 N N -0.025 118.582 118.700 -0.155 0.000 2.416 183 N HA 0.264 5.003 4.740 -0.001 0.000 0.267 183 N C 0.751 176.233 175.510 -0.047 0.000 1.294 183 N CA 0.480 53.475 53.050 -0.093 0.000 0.891 183 N CB 1.443 39.879 38.487 -0.085 0.000 1.238 183 N HN 0.437 nan 8.380 nan 0.000 0.508 184 G N 0.680 109.454 108.800 -0.043 0.000 2.481 184 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.200 184 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.200 184 G C 0.251 175.184 174.900 0.054 0.000 1.012 184 G CA -0.115 45.000 45.100 0.025 0.000 0.676 184 G HN 0.456 nan 8.290 nan 0.000 0.488 185 A N 0.910 123.693 122.820 -0.062 0.000 2.520 185 A HA 0.487 4.806 4.320 -0.001 0.000 0.245 185 A C 1.106 178.493 177.584 -0.327 0.000 1.072 185 A CA 1.100 52.904 52.037 -0.389 0.000 0.761 185 A CB 0.203 18.884 19.000 -0.532 0.000 1.004 185 A HN 0.249 nan 8.150 nan 0.000 0.499 186 D N -0.071 120.099 120.400 -0.384 0.000 2.249 186 D HA 0.120 4.760 4.640 -0.001 0.000 0.205 186 D C -0.055 176.142 176.300 -0.172 0.000 0.962 186 D CA 1.754 55.645 54.000 -0.182 0.000 0.860 186 D CB 0.065 40.844 40.800 -0.035 0.000 0.955 186 D HN 0.728 nan 8.370 nan 0.000 0.505 187 Y N -1.965 118.085 120.300 -0.418 0.000 2.592 187 Y HA 0.501 5.051 4.550 -0.000 0.000 0.334 187 Y C -0.793 174.818 175.900 -0.481 0.000 1.136 187 Y CA -1.437 56.362 58.100 -0.501 0.000 1.042 187 Y CB 0.629 38.567 38.460 -0.871 0.000 1.325 187 Y HN -0.399 nan 8.280 nan 0.000 0.457 191 D N 1.339 121.798 120.400 0.100 0.000 2.449 191 D HA -0.042 4.598 4.640 -0.001 0.000 0.236 191 D C 1.560 177.814 176.300 -0.076 0.000 1.149 191 D CA 0.141 54.164 54.000 0.037 0.000 0.878 191 D CB 1.047 41.885 40.800 0.064 0.000 1.198 191 D HN 0.375 nan 8.370 nan 0.000 0.446 192 E N 2.501 122.554 120.200 -0.246 0.000 2.267 192 E HA -0.243 4.107 4.350 -0.001 0.000 0.197 192 E C 0.667 177.137 176.600 -0.217 0.000 0.998 192 E CA 1.051 57.194 56.400 -0.428 0.000 0.830 192 E CB -0.337 28.745 29.700 -1.030 0.000 0.751 192 E HN 0.522 nan 8.360 nan 0.000 0.491 193 N N 0.848 119.473 118.700 -0.126 0.000 2.236 193 N HA 0.017 4.757 4.740 -0.001 0.000 0.196 193 N C 0.218 175.701 175.510 -0.045 0.000 1.114 193 N CA -0.322 52.686 53.050 -0.071 0.000 0.859 193 N CB -0.191 38.272 38.487 -0.041 0.000 0.982 193 N HN 0.108 nan 8.380 nan 0.000 0.493 194 L N 2.038 123.235 121.223 -0.043 0.000 2.278 194 L HA 0.383 4.723 4.340 -0.001 0.000 0.287 194 L C 0.748 177.597 176.870 -0.035 0.000 1.072 194 L CA 0.138 54.950 54.840 -0.047 0.000 0.819 194 L CB 0.764 42.801 42.059 -0.036 0.000 1.176 194 L HN 0.310 nan 8.230 nan 0.000 0.435 195 T N -0.149 114.367 114.554 -0.063 0.000 1.850 195 T HA 0.290 4.640 4.350 -0.001 0.000 0.176 195 T C 0.383 175.075 174.700 -0.015 0.000 0.702 195 T CA 0.228 62.313 62.100 -0.025 0.000 1.184 195 T CB 0.230 69.065 68.868 -0.056 0.000 3.221 195 T HN 0.321 nan 8.240 nan 0.000 0.405 196 S N 3.024 118.681 115.700 -0.072 0.000 2.327 196 S HA 0.454 4.923 4.470 -0.001 0.000 0.203 196 S C -2.670 171.818 174.600 -0.186 0.000 1.326 196 S CA -1.265 56.889 58.200 -0.077 0.000 1.248 196 S CB -0.069 63.139 63.200 0.014 0.000 1.199 196 S HN 0.521 nan 8.310 nan 0.000 0.422 197 P HA 0.159 nan 4.420 nan 0.000 0.274 197 P C 1.560 178.517 177.300 -0.572 0.000 1.256 197 P CA -0.665 62.109 63.100 -0.544 0.000 0.795 197 P CB 0.285 31.321 31.700 -1.106 0.000 1.038 198 W N 1.829 122.945 121.300 -0.308 0.000 2.325 198 W HA -0.243 4.416 4.660 -0.001 0.000 0.299 198 W C 1.486 177.921 176.519 -0.141 0.000 1.215 198 W CA 1.321 58.579 57.345 -0.145 0.000 1.244 198 W CB -2.121 27.329 29.460 -0.016 0.000 1.140 198 W HN 0.388 nan 8.180 nan 0.000 0.523 199 Y N 0.370 120.019 120.300 -1.086 0.000 2.578 199 Y HA 0.304 4.853 4.550 -0.000 0.000 0.297 199 Y C 0.650 176.253 175.900 -0.495 0.000 1.176 199 Y CA 0.687 58.163 58.100 -1.040 0.000 1.315 199 Y CB -1.002 36.486 38.460 -1.620 0.000 1.031 199 Y HN -0.066 nan 8.280 nan 0.000 0.524 200 N N 1.151 119.478 118.700 -0.621 0.000 3.111 200 N HA 0.054 4.793 4.740 -0.001 0.000 0.200 200 N C -1.444 173.877 175.510 -0.316 0.000 1.464 200 N CA -0.234 52.581 53.050 -0.393 0.000 0.758 200 N CB 0.531 38.760 38.487 -0.430 0.000 1.548 200 N HN 0.065 nan 8.380 nan 0.000 0.595 201 R N 1.288 121.683 120.500 -0.175 0.000 2.570 201 R HA 0.063 4.403 4.340 -0.001 0.000 0.277 201 R C 1.357 177.658 176.300 0.001 0.000 1.039 201 R CA -0.276 55.784 56.100 -0.067 0.000 1.065 201 R CB 0.089 30.384 30.300 -0.008 0.000 0.964 201 R HN 0.453 nan 8.270 nan 0.000 0.428 202 F N 3.315 123.230 119.950 -0.058 0.000 2.065 202 F HA -0.322 4.205 4.527 -0.001 0.000 0.298 202 F C 2.473 178.316 175.800 0.072 0.000 1.112 202 F CA 2.795 60.810 58.000 0.025 0.000 1.212 202 F CB -0.080 38.933 39.000 0.021 0.000 0.975 202 F HN 0.739 nan 8.300 nan 0.000 0.476 203 E N 0.223 120.585 120.200 0.270 0.000 2.153 203 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 203 E C 1.864 178.473 176.600 0.015 0.000 0.988 203 E CA 1.662 58.159 56.400 0.162 0.000 0.811 203 E CB -0.999 28.795 29.700 0.158 0.000 0.746 203 E HN 0.754 nan 8.360 nan 0.000 0.466 204 E N -0.588 119.604 120.200 -0.012 0.000 2.107 204 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 204 E C 2.505 179.042 176.600 -0.105 0.000 0.982 204 E CA 0.676 57.050 56.400 -0.043 0.000 0.809 204 E CB -0.031 29.652 29.700 -0.028 0.000 0.756 204 E HN 0.384 nan 8.360 nan 0.000 0.459 205 R N 0.404 120.791 120.500 -0.188 0.000 2.081 205 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 205 R C 2.377 178.358 176.300 -0.532 0.000 1.131 205 R CA 1.090 56.986 56.100 -0.339 0.000 0.960 205 R CB -0.303 29.721 30.300 -0.459 0.000 0.856 205 R HN 0.101 nan 8.270 nan 0.000 0.436 206 A N 1.503 124.084 122.820 -0.399 0.000 1.877 206 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 206 A C 1.970 179.471 177.584 -0.140 0.000 1.186 206 A CA 1.306 53.218 52.037 -0.207 0.000 0.620 206 A CB -0.287 18.727 19.000 0.023 0.000 0.822 206 A HN 0.202 nan 8.150 nan 0.000 0.443 207 E N -0.112 120.030 120.200 -0.097 0.000 2.085 207 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 207 E C 2.019 178.564 176.600 -0.092 0.000 0.994 207 E CA 1.313 57.676 56.400 -0.060 0.000 0.801 207 E CB -0.397 29.282 29.700 -0.035 0.000 0.743 207 E HN 0.740 nan 8.360 nan 0.000 0.453 208 I N 0.573 121.066 120.570 -0.128 0.000 2.202 208 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 208 I C 2.440 178.440 176.117 -0.196 0.000 1.091 208 I CA 0.846 62.064 61.300 -0.136 0.000 1.368 208 I CB -0.184 37.758 38.000 -0.097 0.000 1.058 208 I HN 0.092 nan 8.210 nan 0.000 0.410 209 M N 0.247 119.664 119.600 -0.306 0.000 2.229 209 M HA -0.083 4.397 4.480 -0.001 0.000 0.264 209 M C 2.551 178.769 176.300 -0.137 0.000 1.063 209 M CA 1.614 56.713 55.300 -0.335 0.000 1.114 209 M CB -1.371 30.817 32.600 -0.688 0.000 1.387 209 M HN 0.274 nan 8.290 nan 0.000 0.420 210 A N 0.328 123.100 122.820 -0.079 0.000 1.877 210 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 210 A C 2.329 179.899 177.584 -0.024 0.000 1.186 210 A CA 2.080 54.112 52.037 -0.009 0.000 0.620 210 A CB -0.642 18.365 19.000 0.012 0.000 0.822 210 A HN 0.515 nan 8.150 nan 0.000 0.443 211 K N -0.552 119.821 120.400 -0.046 0.000 2.025 211 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 211 K C 1.796 178.374 176.600 -0.037 0.000 1.049 211 K CA 1.577 57.840 56.287 -0.039 0.000 0.933 211 K CB -0.263 32.207 32.500 -0.050 0.000 0.714 211 K HN 0.315 nan 8.250 nan 0.000 0.438 212 I N 1.932 122.463 120.570 -0.066 0.000 2.226 212 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 212 I C 2.416 178.513 176.117 -0.033 0.000 1.100 212 I CA 1.207 62.481 61.300 -0.044 0.000 1.374 212 I CB -0.881 37.047 38.000 -0.120 0.000 1.057 212 I HN 0.267 nan 8.210 nan 0.000 0.413 213 I N 0.677 121.217 120.570 -0.050 0.000 2.208 213 I HA -0.329 3.841 4.170 -0.001 0.000 0.245 213 I C 2.166 178.277 176.117 -0.010 0.000 1.097 213 I CA 1.444 62.727 61.300 -0.029 0.000 1.363 213 I CB -0.415 37.589 38.000 0.005 0.000 1.051 213 I HN 0.212 nan 8.210 nan 0.000 0.413 214 D N 0.740 121.139 120.400 -0.001 0.000 2.097 214 D HA -0.203 4.437 4.640 -0.001 0.000 0.195 214 D C 2.099 178.405 176.300 0.010 0.000 0.989 214 D CA 1.171 55.175 54.000 0.007 0.000 0.827 214 D CB -0.203 40.603 40.800 0.009 0.000 0.966 214 D HN 0.266 nan 8.370 nan 0.000 0.456 215 K N 0.801 121.214 120.400 0.022 0.000 2.026 215 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 215 K C 2.029 178.653 176.600 0.040 0.000 1.048 215 K CA 0.920 57.239 56.287 0.052 0.000 0.929 215 K CB -0.059 32.504 32.500 0.105 0.000 0.713 215 K HN -0.062 nan 8.250 nan 0.000 0.439 216 V N 1.866 121.779 119.914 -0.002 0.000 2.343 216 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 216 V C 2.112 178.166 176.094 -0.066 0.000 1.051 216 V CA 1.891 64.134 62.300 -0.095 0.000 1.036 216 V CB -0.454 31.261 31.823 -0.180 0.000 0.654 216 V HN 0.396 nan 8.190 nan 0.000 0.451 217 E N 0.265 120.443 120.200 -0.038 0.000 2.085 217 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 217 E C 2.180 178.773 176.600 -0.012 0.000 0.994 217 E CA 1.445 57.832 56.400 -0.021 0.000 0.801 217 E CB -0.284 29.413 29.700 -0.004 0.000 0.743 217 E HN 0.559 nan 8.360 nan 0.000 0.453 218 N N 1.312 120.010 118.700 -0.003 0.000 2.120 218 N HA -0.183 4.557 4.740 -0.001 0.000 0.188 218 N C 1.362 176.872 175.510 -0.000 0.000 1.024 218 N CA 1.397 54.449 53.050 0.003 0.000 0.852 218 N CB 0.064 38.557 38.487 0.011 0.000 1.003 218 N HN 0.217 nan 8.380 nan 0.000 0.424 219 E N -1.359 118.838 120.200 -0.004 0.000 2.299 219 E HA -0.030 4.320 4.350 -0.001 0.000 0.193 219 E C 1.327 177.911 176.600 -0.026 0.000 0.998 219 E CA 1.328 57.724 56.400 -0.006 0.000 0.851 219 E CB 0.133 29.838 29.700 0.008 0.000 0.795 219 E HN 0.619 nan 8.360 nan 0.000 0.492 220 T N -4.257 110.273 114.554 -0.040 0.000 2.978 220 T HA 0.269 4.618 4.350 -0.001 0.000 0.248 220 T C 1.666 176.351 174.700 -0.026 0.000 1.018 220 T CA 0.509 62.582 62.100 -0.044 0.000 1.026 220 T CB 0.776 69.601 68.868 -0.073 0.000 1.032 220 T HN 0.197 nan 8.240 nan 0.000 0.485 221 G N 1.386 110.176 108.800 -0.018 0.000 2.184 221 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.264 221 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.264 221 G C -0.209 174.689 174.900 -0.004 0.000 0.975 221 G CA 0.311 45.408 45.100 -0.006 0.000 0.642 221 G HN 0.683 nan 8.290 nan 0.000 0.536 222 E N 0.753 120.944 120.200 -0.014 0.000 2.191 222 E HA 0.436 4.785 4.350 -0.001 0.000 0.278 222 E C 0.041 176.637 176.600 -0.007 0.000 0.972 222 E CA -0.947 55.448 56.400 -0.009 0.000 0.804 222 E CB 0.946 30.635 29.700 -0.019 0.000 1.110 222 E HN 0.004 nan 8.360 nan 0.000 0.394 223 K N 2.821 123.227 120.400 0.011 0.000 2.382 223 K HA 0.219 4.539 4.320 -0.001 0.000 0.275 223 K C -0.126 176.481 176.600 0.012 0.000 1.009 223 K CA 0.067 56.367 56.287 0.022 0.000 0.970 223 K CB 0.463 32.990 32.500 0.045 0.000 0.934 223 K HN 0.313 nan 8.250 nan 0.000 0.479 224 K N 0.854 121.262 120.400 0.014 0.000 2.443 224 K HA 0.508 4.828 4.320 -0.001 0.000 0.251 224 K C -0.066 176.562 176.600 0.047 0.000 0.972 224 K CA -0.687 55.600 56.287 0.000 0.000 0.833 224 K CB 2.308 34.781 32.500 -0.044 0.000 1.317 224 K HN 0.652 nan 8.250 nan 0.000 0.441 225 T N -0.615 113.968 114.554 0.048 0.000 2.681 225 T HA 0.667 5.017 4.350 -0.001 0.000 0.296 225 T C -2.061 172.700 174.700 0.102 0.000 1.157 225 T CA -0.556 61.615 62.100 0.119 0.000 1.025 225 T CB 0.949 69.948 68.868 0.218 0.000 1.441 225 T HN 0.557 nan 8.240 nan 0.000 0.504 226 W N 2.497 123.750 121.300 -0.080 0.000 3.216 226 W HA 0.601 5.261 4.660 -0.000 0.000 0.335 226 W C -2.259 174.281 176.519 0.034 0.000 1.077 226 W CA -1.756 55.516 57.345 -0.121 0.000 1.252 226 W CB 0.696 30.148 29.460 -0.013 0.000 1.312 226 W HN 0.413 nan 8.180 nan 0.000 0.446 227 F N 5.888 125.566 119.950 -0.453 0.000 2.509 227 F HA 0.489 5.016 4.527 -0.000 0.000 0.350 227 F C 0.977 176.242 175.800 -0.891 0.000 1.220 227 F CA -1.218 56.420 58.000 -0.602 0.000 1.151 227 F CB -0.611 38.055 39.000 -0.558 0.000 1.379 227 F HN 0.453 nan 8.300 nan 0.000 0.610 228 A N 3.024 125.216 122.820 -1.047 0.000 2.347 228 A HA 0.253 4.573 4.320 -0.001 0.000 0.287 228 A C 0.472 177.906 177.584 -0.249 0.000 1.199 228 A CA -0.589 50.713 52.037 -1.226 0.000 0.851 228 A CB -0.166 17.793 19.000 -1.734 0.000 1.118 228 A HN 0.551 nan 8.150 nan 0.000 0.525 229 N N 2.811 121.491 118.700 -0.033 0.000 2.406 229 N HA 0.093 4.833 4.740 -0.001 0.000 0.265 229 N C 0.827 176.397 175.510 0.100 0.000 1.203 229 N CA -0.273 52.803 53.050 0.044 0.000 0.945 229 N CB 0.155 38.656 38.487 0.024 0.000 1.165 229 N HN 0.639 nan 8.380 nan 0.000 0.485 230 I N -0.219 120.324 120.570 -0.046 0.000 3.578 230 I HA 0.158 4.328 4.170 -0.001 0.000 0.295 230 I C 0.052 176.053 176.117 -0.192 0.000 1.280 230 I CA -0.195 60.957 61.300 -0.247 0.000 1.347 230 I CB -0.465 37.396 38.000 -0.233 0.000 1.051 230 I HN 0.112 nan 8.210 nan 0.000 0.460 231 T N 3.545 118.030 114.554 -0.116 0.000 2.765 231 T HA 0.340 4.689 4.350 -0.001 0.000 0.275 231 T C 0.167 174.808 174.700 -0.099 0.000 1.007 231 T CA 0.840 62.880 62.100 -0.099 0.000 1.175 231 T CB 0.023 68.837 68.868 -0.089 0.000 0.993 231 T HN 0.729 nan 8.240 nan 0.000 0.510 232 A N 3.569 126.337 122.820 -0.086 0.000 2.375 232 A HA 0.489 4.809 4.320 -0.001 0.000 0.299 232 A C -1.275 176.278 177.584 -0.052 0.000 1.044 232 A CA -1.002 50.991 52.037 -0.074 0.000 0.585 232 A CB 0.473 19.414 19.000 -0.098 0.000 1.438 232 A HN 0.606 nan 8.150 nan 0.000 0.574 233 D N 0.179 120.554 120.400 -0.041 0.000 2.400 233 D HA 0.233 4.873 4.640 -0.001 0.000 0.238 233 D C 1.511 177.799 176.300 -0.020 0.000 1.157 233 D CA -0.090 53.895 54.000 -0.026 0.000 0.889 233 D CB 1.022 41.810 40.800 -0.020 0.000 1.199 233 D HN 0.532 nan 8.370 nan 0.000 0.436 234 L N 2.664 123.885 121.223 -0.003 0.000 1.997 234 L HA -0.292 4.047 4.340 -0.001 0.000 0.227 234 L C 2.117 179.003 176.870 0.026 0.000 1.087 234 L CA 1.833 56.685 54.840 0.022 0.000 0.797 234 L CB -0.721 41.347 42.059 0.014 0.000 0.902 234 L HN 0.407 nan 8.230 nan 0.000 0.441 235 L N -0.578 120.651 121.223 0.011 0.000 2.043 235 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 235 L C 2.573 179.440 176.870 -0.005 0.000 1.075 235 L CA 1.763 56.611 54.840 0.014 0.000 0.752 235 L CB -1.199 40.862 42.059 0.004 0.000 0.891 235 L HN 0.372 nan 8.230 nan 0.000 0.432 236 E N -1.539 118.642 120.200 -0.031 0.000 2.150 236 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 236 E C 2.295 178.825 176.600 -0.117 0.000 0.985 236 E CA 0.882 57.239 56.400 -0.072 0.000 0.814 236 E CB -0.207 29.444 29.700 -0.082 0.000 0.752 236 E HN 0.406 nan 8.360 nan 0.000 0.466 237 M N 0.036 119.585 119.600 -0.086 0.000 2.175 237 M HA -0.133 4.347 4.480 -0.001 0.000 0.264 237 M C 1.871 178.131 176.300 -0.066 0.000 1.063 237 M CA 1.302 56.539 55.300 -0.105 0.000 1.119 237 M CB -0.204 32.364 32.600 -0.054 0.000 1.377 237 M HN 0.112 nan 8.290 nan 0.000 0.415 238 E N 0.295 120.500 120.200 0.008 0.000 2.051 238 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 238 E C 2.048 178.661 176.600 0.022 0.000 0.991 238 E CA 1.221 57.657 56.400 0.061 0.000 0.799 238 E CB -0.184 29.587 29.700 0.118 0.000 0.748 238 E HN 0.594 nan 8.360 nan 0.000 0.449 239 Q N 0.373 120.161 119.800 -0.019 0.000 2.096 239 Q HA -0.165 4.175 4.340 -0.001 0.000 0.204 239 Q C 2.214 178.162 176.000 -0.087 0.000 0.982 239 Q CA 1.237 57.019 55.803 -0.035 0.000 0.850 239 Q CB -0.137 28.577 28.738 -0.039 0.000 0.901 239 Q HN 0.158 nan 8.270 nan 0.000 0.422 240 R N 0.197 120.572 120.500 -0.208 0.000 2.115 240 R HA -0.036 4.304 4.340 -0.001 0.000 0.226 240 R C 2.252 178.457 176.300 -0.159 0.000 1.100 240 R CA 0.748 56.617 56.100 -0.384 0.000 0.980 240 R CB -0.138 29.556 30.300 -1.010 0.000 0.875 240 R HN 0.205 nan 8.270 nan 0.000 0.445 241 L N 0.411 121.556 121.223 -0.130 0.000 2.083 241 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 241 L C 2.530 179.198 176.870 -0.337 0.000 1.083 241 L CA 1.369 56.142 54.840 -0.112 0.000 0.752 241 L CB -0.305 41.776 42.059 0.037 0.000 0.899 241 L HN 0.282 nan 8.230 nan 0.000 0.433 242 E N -0.159 119.885 120.200 -0.259 0.000 2.106 242 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 242 E C 2.235 178.717 176.600 -0.198 0.000 0.984 242 E CA 1.019 57.216 56.400 -0.337 0.000 0.806 242 E CB 0.194 29.857 29.700 -0.062 0.000 0.750 242 E HN 0.231 nan 8.360 nan 0.000 0.458 243 V N 1.345 121.230 119.914 -0.048 0.000 2.287 243 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 243 V C 2.426 178.558 176.094 0.064 0.000 1.053 243 V CA 1.595 63.935 62.300 0.066 0.000 1.027 243 V CB -0.422 31.539 31.823 0.230 0.000 0.646 243 V HN 0.355 nan 8.190 nan 0.000 0.447 244 L N -0.134 121.130 121.223 0.069 0.000 2.017 244 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 244 L C 2.734 179.580 176.870 -0.039 0.000 1.073 244 L CA 1.677 56.553 54.840 0.060 0.000 0.745 244 L CB -0.864 41.230 42.059 0.058 0.000 0.894 244 L HN 0.369 nan 8.230 nan 0.000 0.432 245 A N -0.015 122.677 122.820 -0.214 0.000 1.877 245 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 245 A C 1.905 179.443 177.584 -0.078 0.000 1.186 245 A CA 1.993 53.901 52.037 -0.214 0.000 0.620 245 A CB -0.602 18.041 19.000 -0.595 0.000 0.822 245 A HN 0.357 nan 8.150 nan 0.000 0.443 246 D N -0.184 120.168 120.400 -0.080 0.000 2.221 246 D HA -0.085 4.555 4.640 -0.001 0.000 0.204 246 D C 1.572 177.880 176.300 0.014 0.000 0.982 246 D CA 0.821 54.814 54.000 -0.012 0.000 0.857 246 D CB -0.203 40.594 40.800 -0.004 0.000 0.934 246 D HN 0.449 nan 8.370 nan 0.000 0.475 247 L N -0.784 120.452 121.223 0.022 0.000 2.567 247 L HA 0.170 4.510 4.340 -0.001 0.000 0.225 247 L C 1.278 178.177 176.870 0.047 0.000 1.119 247 L CA 0.260 55.125 54.840 0.041 0.000 0.871 247 L CB 0.070 42.167 42.059 0.063 0.000 1.036 247 L HN 0.097 nan 8.230 nan 0.000 0.459 248 G N 0.802 109.627 108.800 0.042 0.000 2.176 248 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.252 248 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.252 248 G C 0.211 175.150 174.900 0.064 0.000 1.024 248 G CA 0.048 45.178 45.100 0.051 0.000 0.755 248 G HN 0.230 nan 8.290 nan 0.000 0.507 249 L N -1.550 119.719 121.223 0.077 0.000 2.479 249 L HA 0.521 4.861 4.340 -0.001 0.000 0.249 249 L C 1.695 178.603 176.870 0.064 0.000 1.178 249 L CA -0.216 54.689 54.840 0.107 0.000 0.811 249 L CB 0.603 42.768 42.059 0.176 0.000 1.187 249 L HN 0.131 nan 8.230 nan 0.000 0.480 250 K N -1.537 118.900 120.400 0.060 0.000 2.435 250 K HA 0.223 4.543 4.320 -0.001 0.000 0.199 250 K C -0.457 175.976 176.600 -0.277 0.000 1.153 250 K CA -0.020 56.217 56.287 -0.083 0.000 0.974 250 K CB 0.631 33.089 32.500 -0.069 0.000 0.997 250 K HN 0.423 nan 8.250 nan 0.000 0.547 251 H N -0.413 118.627 119.070 -0.049 0.000 2.637 251 H HA 0.577 5.133 4.556 -0.000 0.000 0.363 251 H C -1.440 173.815 175.328 -0.122 0.000 1.131 251 H CA -0.760 55.234 56.048 -0.091 0.000 1.183 251 H CB 2.117 31.900 29.762 0.035 0.000 1.637 251 H HN 0.118 nan 8.280 nan 0.000 0.531 252 A N 3.587 126.404 122.820 -0.005 0.000 2.332 252 A HA 0.416 4.736 4.320 -0.001 0.000 0.300 252 A C -0.601 176.948 177.584 -0.058 0.000 1.153 252 A CA -0.725 51.283 52.037 -0.048 0.000 0.764 252 A CB 0.658 19.641 19.000 -0.029 0.000 1.174 252 A HN 0.737 nan 8.150 nan 0.000 0.467 253 M N 3.778 123.332 119.600 -0.077 0.000 2.216 253 M HA 0.636 5.116 4.480 -0.001 0.000 0.356 253 M C -1.624 174.641 176.300 -0.059 0.000 1.205 253 M CA -0.121 55.154 55.300 -0.041 0.000 1.122 253 M CB 0.858 33.460 32.600 0.003 0.000 1.571 253 M HN 0.386 nan 8.290 nan 0.000 0.464 254 V N 3.766 123.630 119.914 -0.082 0.000 2.760 254 V HA 0.295 4.414 4.120 -0.001 0.000 0.309 254 V C -1.156 174.859 176.094 -0.131 0.000 1.077 254 V CA -0.933 61.302 62.300 -0.108 0.000 0.910 254 V CB 2.196 33.947 31.823 -0.120 0.000 1.008 254 V HN 0.753 nan 8.190 nan 0.000 0.424 255 D N 3.108 123.436 120.400 -0.120 0.000 2.435 255 D HA 0.159 4.798 4.640 -0.001 0.000 0.230 255 D C 1.240 177.441 176.300 -0.166 0.000 1.215 255 D CA 0.030 53.958 54.000 -0.119 0.000 0.947 255 D CB 1.446 42.185 40.800 -0.101 0.000 1.048 255 D HN 0.455 nan 8.370 nan 0.000 0.512 256 V N 0.693 120.444 119.914 -0.272 0.000 2.307 256 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 256 V C 2.017 177.922 176.094 -0.315 0.000 1.045 256 V CA 0.955 63.023 62.300 -0.388 0.000 1.024 256 V CB -0.861 30.478 31.823 -0.807 0.000 0.651 256 V HN 0.291 nan 8.190 nan 0.000 0.449 257 V N 0.571 120.350 119.914 -0.224 0.000 2.295 257 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 257 V C 2.549 178.589 176.094 -0.089 0.000 1.049 257 V CA 2.673 64.925 62.300 -0.080 0.000 1.024 257 V CB -0.604 31.270 31.823 0.085 0.000 0.648 257 V HN 0.470 nan 8.190 nan 0.000 0.447 258 I N -0.252 120.277 120.570 -0.067 0.000 2.315 258 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 258 I C 2.524 178.595 176.117 -0.076 0.000 1.117 258 I CA 1.608 62.878 61.300 -0.050 0.000 1.404 258 I CB -0.542 37.435 38.000 -0.038 0.000 1.071 258 I HN 0.308 nan 8.210 nan 0.000 0.419 259 T N 0.387 114.878 114.554 -0.106 0.000 2.720 259 T HA 0.018 4.367 4.350 -0.001 0.000 0.268 259 T C 0.936 175.579 174.700 -0.095 0.000 1.037 259 T CA 1.227 63.272 62.100 -0.091 0.000 1.144 259 T CB -0.525 68.285 68.868 -0.098 0.000 0.864 259 T HN 0.671 nan 8.240 nan 0.000 0.444 260 G N -0.696 107.993 108.800 -0.184 0.000 2.663 260 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.686 260 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.686 260 G C 0.051 174.833 174.900 -0.197 0.000 1.288 260 G CA -0.327 44.640 45.100 -0.222 0.000 0.836 260 G HN 0.372 nan 8.290 nan 0.000 0.584 261 W N 0.570 121.919 121.300 0.081 0.000 2.584 261 W HA 0.248 4.907 4.660 -0.001 0.000 0.264 261 W C 2.453 179.016 176.519 0.073 0.000 1.264 261 W CA 0.839 58.234 57.345 0.084 0.000 1.306 261 W CB 0.030 29.522 29.460 0.052 0.000 1.110 261 W HN 0.918 nan 8.180 nan 0.000 0.606 262 G N 0.435 109.373 108.800 0.231 0.000 2.422 262 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.218 262 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.218 262 G C 1.439 176.413 174.900 0.123 0.000 1.146 262 G CA 1.205 46.396 45.100 0.152 0.000 0.769 262 G HN 0.278 nan 8.290 nan 0.000 0.547 263 A N -0.977 121.914 122.820 0.118 0.000 2.508 263 A HA 0.535 4.855 4.320 -0.001 0.000 0.250 263 A C 1.728 179.414 177.584 0.169 0.000 1.208 263 A CA -0.044 52.074 52.037 0.134 0.000 0.960 263 A CB 0.121 19.180 19.000 0.099 0.000 1.099 263 A HN 0.226 nan 8.150 nan 0.000 0.542 264 L N 0.418 121.730 121.223 0.148 0.000 2.056 264 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 264 L C 2.266 179.227 176.870 0.152 0.000 1.078 264 L CA 2.229 57.145 54.840 0.127 0.000 0.749 264 L CB -0.635 41.504 42.059 0.135 0.000 0.901 264 L HN 0.510 nan 8.230 nan 0.000 0.433 265 R N -2.065 118.552 120.500 0.195 0.000 2.081 265 R HA -0.251 4.088 4.340 -0.001 0.000 0.235 265 R C 2.413 178.797 176.300 0.139 0.000 1.131 265 R CA 1.750 57.953 56.100 0.172 0.000 0.960 265 R CB -0.582 29.822 30.300 0.173 0.000 0.856 265 R HN 0.463 nan 8.270 nan 0.000 0.436 266 Y N 0.798 121.128 120.300 0.049 0.000 2.181 266 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 266 Y C 1.834 177.747 175.900 0.022 0.000 1.146 266 Y CA 1.504 59.619 58.100 0.026 0.000 1.164 266 Y CB -0.106 38.366 38.460 0.020 0.000 0.982 266 Y HN 0.027 nan 8.280 nan 0.000 0.515 267 I N 0.787 121.341 120.570 -0.027 0.000 2.226 267 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 267 I C 2.621 178.673 176.117 -0.109 0.000 1.100 267 I CA 1.465 62.698 61.300 -0.111 0.000 1.374 267 I CB -1.223 36.781 38.000 0.007 0.000 1.057 267 I HN 0.314 nan 8.210 nan 0.000 0.413 268 R N 1.390 121.868 120.500 -0.037 0.000 2.066 268 R HA -0.179 4.161 4.340 -0.001 0.000 0.232 268 R C 1.643 177.918 176.300 -0.042 0.000 1.131 268 R CA 1.778 57.872 56.100 -0.010 0.000 0.955 268 R CB -0.470 29.859 30.300 0.049 0.000 0.851 268 R HN 0.298 nan 8.270 nan 0.000 0.432 269 D N 0.959 121.313 120.400 -0.076 0.000 2.117 269 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 269 D C 1.941 178.126 176.300 -0.192 0.000 0.987 269 D CA 0.853 54.788 54.000 -0.107 0.000 0.829 269 D CB -0.307 40.438 40.800 -0.091 0.000 0.961 269 D HN 0.139 nan 8.370 nan 0.000 0.460 270 L N 1.003 122.032 121.223 -0.325 0.000 2.012 270 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 270 L C 2.185 178.936 176.870 -0.198 0.000 1.073 270 L CA 1.773 56.390 54.840 -0.373 0.000 0.748 270 L CB -0.841 40.931 42.059 -0.478 0.000 0.891 270 L HN -0.019 nan 8.230 nan 0.000 0.431 271 A N -0.699 122.092 122.820 -0.049 0.000 1.877 271 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 271 A C 2.464 180.100 177.584 0.085 0.000 1.186 271 A CA 2.048 54.139 52.037 0.089 0.000 0.620 271 A CB -1.258 17.772 19.000 0.050 0.000 0.822 271 A HN 0.557 nan 8.150 nan 0.000 0.443 272 A N 0.170 123.005 122.820 0.024 0.000 1.873 272 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 272 A C 1.765 179.343 177.584 -0.009 0.000 1.193 272 A CA 2.110 54.165 52.037 0.031 0.000 0.629 272 A CB -0.859 18.137 19.000 -0.008 0.000 0.826 272 A HN 0.466 nan 8.150 nan 0.000 0.447 273 D N -1.504 118.831 120.400 -0.108 0.000 2.190 273 D HA -0.165 4.475 4.640 -0.001 0.000 0.200 273 D C 1.337 177.560 176.300 -0.128 0.000 0.992 273 D CA 1.321 55.217 54.000 -0.174 0.000 0.854 273 D CB -0.335 40.275 40.800 -0.318 0.000 0.936 273 D HN 0.618 nan 8.370 nan 0.000 0.462 274 Y N -0.289 120.014 120.300 0.005 0.000 2.511 274 Y HA 0.250 4.800 4.550 0.000 0.000 0.279 274 Y C 1.798 177.730 175.900 0.053 0.000 1.157 274 Y CA 0.358 58.471 58.100 0.022 0.000 1.300 274 Y CB 0.034 38.503 38.460 0.015 0.000 1.052 274 Y HN 0.005 nan 8.280 nan 0.000 0.529 275 G N 0.887 109.813 108.800 0.210 0.000 2.225 275 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.264 275 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.264 275 G C -0.355 174.732 174.900 0.312 0.000 1.060 275 G CA 0.016 45.265 45.100 0.248 0.000 0.833 275 G HN 0.264 nan 8.290 nan 0.000 0.498 276 L N 0.170 121.537 121.223 0.241 0.000 2.307 276 L HA 0.756 5.096 4.340 -0.001 0.000 0.284 276 L C 0.924 177.762 176.870 -0.053 0.000 1.023 276 L CA -0.650 54.213 54.840 0.039 0.000 0.810 276 L CB 1.800 43.883 42.059 0.040 0.000 1.231 276 L HN 0.337 nan 8.230 nan 0.000 0.423 277 A N 4.699 127.182 122.820 -0.563 0.000 2.386 277 A HA 0.604 4.924 4.320 -0.001 0.000 0.248 277 A C -0.269 177.179 177.584 -0.226 0.000 1.082 277 A CA -0.171 51.510 52.037 -0.593 0.000 0.789 277 A CB 0.144 18.435 19.000 -1.182 0.000 1.025 277 A HN 0.657 nan 8.150 nan 0.000 0.490 278 I N 1.370 121.887 120.570 -0.088 0.000 2.362 278 I HA 0.218 4.387 4.170 -0.001 0.000 0.289 278 I C -0.356 175.701 176.117 -0.100 0.000 0.994 278 I CA -0.350 60.911 61.300 -0.065 0.000 1.158 278 I CB 1.459 39.431 38.000 -0.047 0.000 1.315 278 I HN 0.813 nan 8.210 nan 0.000 0.451 279 H N 4.888 123.796 119.070 -0.269 0.000 2.556 279 H HA 0.537 5.092 4.556 -0.001 0.000 0.310 279 H C 0.001 175.177 175.328 -0.253 0.000 1.057 279 H CA -0.364 55.444 56.048 -0.400 0.000 1.264 279 H CB 1.277 30.552 29.762 -0.812 0.000 1.404 279 H HN 0.699 nan 8.280 nan 0.000 0.462 280 G N 4.558 112.996 108.800 -0.603 0.000 2.329 280 G HA2 0.137 4.096 3.960 -0.001 0.000 0.309 280 G HA3 0.137 4.096 3.960 -0.001 0.000 0.309 280 G C -1.007 173.586 174.900 -0.513 0.000 1.110 280 G CA -0.437 44.370 45.100 -0.490 0.000 0.923 280 G HN 0.743 nan 8.290 nan 0.000 0.430 281 H N 2.501 121.290 119.070 -0.468 0.000 2.473 281 H HA 0.242 4.797 4.556 -0.001 0.000 0.327 281 H C 0.879 175.968 175.328 -0.398 0.000 1.105 281 H CA -0.547 55.202 56.048 -0.499 0.000 1.280 281 H CB 1.417 30.959 29.762 -0.366 0.000 1.450 281 H HN 0.651 nan 8.280 nan 0.000 0.492 282 R N 2.988 123.155 120.500 -0.555 0.000 2.466 282 R HA 0.398 4.738 4.340 -0.001 0.000 0.279 282 R C 0.291 176.583 176.300 -0.013 0.000 0.976 282 R CA -0.375 55.554 56.100 -0.285 0.000 1.081 282 R CB 0.145 30.197 30.300 -0.413 0.000 1.215 282 R HN 0.358 nan 8.270 nan 0.000 0.546 283 A N 1.763 124.687 122.820 0.173 0.000 2.598 283 A HA 0.060 4.379 4.320 -0.001 0.000 0.239 283 A C 0.955 178.588 177.584 0.082 0.000 1.032 283 A CA 1.076 53.228 52.037 0.191 0.000 0.760 283 A CB -0.153 18.957 19.000 0.184 0.000 0.946 283 A HN 0.838 nan 8.150 nan 0.000 0.512 284 M N 0.390 120.002 119.600 0.020 0.000 3.011 284 M HA -0.305 4.175 4.480 -0.001 0.000 0.211 284 M C 1.049 177.259 176.300 -0.149 0.000 0.583 284 M CA 2.029 57.314 55.300 -0.025 0.000 0.808 284 M CB -2.062 30.569 32.600 0.052 0.000 2.882 284 M HN 1.293 nan 8.290 nan 0.000 0.294 285 H N -0.016 118.914 119.070 -0.233 0.000 2.353 285 H HA 0.177 4.732 4.556 -0.001 0.000 0.298 285 H C 1.703 176.559 175.328 -0.785 0.000 1.103 285 H CA 2.331 58.014 56.048 -0.607 0.000 1.293 285 H CB -0.759 28.777 29.762 -0.377 0.000 1.372 285 H HN 0.522 nan 8.280 nan 0.000 0.501 286 A N 0.988 122.913 122.820 -1.492 0.000 2.225 286 A HA 0.072 4.392 4.320 -0.001 0.000 0.215 286 A C 2.513 179.810 177.584 -0.478 0.000 1.164 286 A CA 1.117 52.562 52.037 -0.987 0.000 0.710 286 A CB -1.144 17.395 19.000 -0.768 0.000 0.780 286 A HN 0.766 nan 8.150 nan 0.000 0.473 287 A N -0.756 121.822 122.820 -0.403 0.000 2.066 287 A HA 0.203 4.522 4.320 -0.001 0.000 0.218 287 A C 1.480 179.061 177.584 -0.005 0.000 1.157 287 A CA 1.371 53.331 52.037 -0.129 0.000 0.670 287 A CB -0.499 18.502 19.000 0.002 0.000 0.804 287 A HN 1.129 nan 8.150 nan 0.000 0.453 288 F N -3.198 116.723 119.950 -0.048 0.000 2.871 288 F HA 0.225 4.751 4.527 -0.001 0.000 0.344 288 F C 1.374 177.166 175.800 -0.015 0.000 1.078 288 F CA 0.601 58.576 58.000 -0.042 0.000 1.149 288 F CB -0.343 38.606 39.000 -0.085 0.000 1.087 288 F HN 0.021 nan 8.300 nan 0.000 0.557 289 T N -2.738 111.649 114.554 -0.279 0.000 3.023 289 T HA 0.208 4.557 4.350 -0.001 0.000 0.253 289 T C 1.715 176.414 174.700 -0.002 0.000 1.038 289 T CA 0.306 62.365 62.100 -0.067 0.000 0.962 289 T CB -0.077 68.751 68.868 -0.068 0.000 1.018 289 T HN 0.360 nan 8.240 nan 0.000 0.521 290 R N 1.332 121.803 120.500 -0.049 0.000 2.100 290 R HA 0.155 4.494 4.340 -0.001 0.000 0.220 290 R C 0.564 176.886 176.300 0.037 0.000 1.091 290 R CA 0.316 56.411 56.100 -0.008 0.000 0.986 290 R CB -0.059 30.210 30.300 -0.052 0.000 0.888 290 R HN 0.255 nan 8.270 nan 0.000 0.444 291 N N 1.241 119.981 118.700 0.068 0.000 2.411 291 N HA 0.057 4.797 4.740 -0.001 0.000 0.259 291 N C -2.134 173.437 175.510 0.100 0.000 1.103 291 N CA -2.046 51.074 53.050 0.117 0.000 0.954 291 N CB 1.688 40.283 38.487 0.179 0.000 1.085 291 N HN -0.006 nan 8.380 nan 0.000 0.485 292 P HA 0.029 nan 4.420 nan 0.000 0.242 292 P C -0.149 177.014 177.300 -0.229 0.000 1.197 292 P CA 0.923 63.930 63.100 -0.155 0.000 0.765 292 P CB 0.015 31.535 31.700 -0.300 0.000 0.936 293 Y N -2.633 117.755 120.300 0.146 0.000 2.481 293 Y HA 0.321 4.871 4.550 -0.001 0.000 0.247 293 Y C 0.554 176.625 175.900 0.286 0.000 1.151 293 Y CA -0.160 58.054 58.100 0.189 0.000 1.238 293 Y CB 0.303 38.858 38.460 0.159 0.000 1.179 293 Y HN -0.022 nan 8.280 nan 0.000 0.524 294 H N -0.996 118.231 119.070 0.261 0.000 3.123 294 H HA 0.546 5.102 4.556 -0.000 0.000 0.346 294 H C 0.022 175.466 175.328 0.193 0.000 1.138 294 H CA -0.209 55.992 56.048 0.255 0.000 1.273 294 H CB 1.161 31.055 29.762 0.220 0.000 1.926 294 H HN 0.245 nan 8.280 nan 0.000 0.524 295 G N 2.220 110.872 108.800 -0.247 0.000 2.337 295 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.197 295 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.197 295 G C -1.446 173.437 174.900 -0.027 0.000 1.238 295 G CA -0.380 44.579 45.100 -0.236 0.000 1.119 295 G HN 0.641 nan 8.290 nan 0.000 0.514 296 I N 1.179 121.837 120.570 0.147 0.000 2.436 296 I HA 0.499 4.669 4.170 -0.001 0.000 0.289 296 I C 0.748 177.036 176.117 0.285 0.000 1.010 296 I CA -0.637 60.812 61.300 0.247 0.000 1.098 296 I CB 1.890 40.014 38.000 0.206 0.000 1.266 296 I HN 0.622 nan 8.210 nan 0.000 0.434 297 S N 4.546 120.368 115.700 0.204 0.000 2.572 297 S HA 0.061 4.530 4.470 -0.001 0.000 0.279 297 S C 1.031 175.718 174.600 0.145 0.000 1.341 297 S CA -0.438 57.874 58.200 0.185 0.000 1.043 297 S CB 0.694 64.019 63.200 0.207 0.000 0.887 297 S HN 0.645 nan 8.310 nan 0.000 0.516 298 M N 4.943 124.568 119.600 0.043 0.000 2.446 298 M HA 0.038 4.517 4.480 -0.001 0.000 0.263 298 M C 1.109 177.151 176.300 -0.431 0.000 1.066 298 M CA 1.478 56.604 55.300 -0.291 0.000 1.087 298 M CB -0.871 31.342 32.600 -0.645 0.000 1.406 298 M HN 0.822 nan 8.290 nan 0.000 0.459 299 F N -0.772 119.061 119.950 -0.194 0.000 2.134 299 F HA -0.166 4.360 4.527 -0.001 0.000 0.299 299 F C 1.834 177.563 175.800 -0.119 0.000 1.097 299 F CA 1.650 59.621 58.000 -0.049 0.000 1.264 299 F CB -0.255 38.864 39.000 0.199 0.000 1.001 299 F HN -0.024 nan 8.300 nan 0.000 0.479 300 V N -0.112 119.867 119.914 0.108 0.000 2.307 300 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 300 V C 2.314 178.307 176.094 -0.169 0.000 1.045 300 V CA 1.471 63.748 62.300 -0.039 0.000 1.024 300 V CB -0.760 31.056 31.823 -0.011 0.000 0.651 300 V HN 0.233 nan 8.190 nan 0.000 0.449 301 L N 0.605 121.756 121.223 -0.119 0.000 2.012 301 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 301 L C 2.653 179.373 176.870 -0.251 0.000 1.073 301 L CA 2.333 57.053 54.840 -0.201 0.000 0.748 301 L CB -1.376 40.688 42.059 0.008 0.000 0.891 301 L HN 0.301 nan 8.230 nan 0.000 0.431 302 A N -0.413 122.254 122.820 -0.255 0.000 1.873 302 A HA -0.338 3.982 4.320 -0.001 0.000 0.218 302 A C 2.434 179.872 177.584 -0.244 0.000 1.193 302 A CA 2.409 54.290 52.037 -0.261 0.000 0.629 302 A CB -0.631 18.103 19.000 -0.443 0.000 0.826 302 A HN 0.446 nan 8.150 nan 0.000 0.447 303 K N -0.294 119.917 120.400 -0.315 0.000 2.026 303 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 303 K C 1.884 178.357 176.600 -0.211 0.000 1.048 303 K CA 1.492 57.643 56.287 -0.228 0.000 0.929 303 K CB -0.380 31.976 32.500 -0.239 0.000 0.713 303 K HN 0.449 nan 8.250 nan 0.000 0.439 304 L N -0.044 121.013 121.223 -0.277 0.000 2.046 304 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 304 L C 2.333 179.133 176.870 -0.116 0.000 1.077 304 L CA 1.127 55.802 54.840 -0.275 0.000 0.747 304 L CB -0.580 41.286 42.059 -0.321 0.000 0.896 304 L HN 0.217 nan 8.230 nan 0.000 0.432 305 Y N -0.184 120.132 120.300 0.026 0.000 2.293 305 Y HA -0.177 4.373 4.550 -0.001 0.000 0.291 305 Y C 2.791 178.656 175.900 -0.059 0.000 1.137 305 Y CA 0.945 59.047 58.100 0.004 0.000 1.202 305 Y CB -0.615 37.812 38.460 -0.056 0.000 0.990 305 Y HN 0.102 nan 8.280 nan 0.000 0.537 306 R N 0.334 120.849 120.500 0.024 0.000 2.075 306 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 306 R C 2.011 178.283 176.300 -0.045 0.000 1.126 306 R CA 1.199 57.264 56.100 -0.057 0.000 0.963 306 R CB -0.448 29.741 30.300 -0.185 0.000 0.858 306 R HN 0.333 nan 8.270 nan 0.000 0.435 307 L N 0.509 121.664 121.223 -0.114 0.000 2.017 307 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 307 L C 2.496 179.346 176.870 -0.033 0.000 1.073 307 L CA 1.304 56.004 54.840 -0.234 0.000 0.745 307 L CB -0.376 41.182 42.059 -0.835 0.000 0.894 307 L HN 0.271 nan 8.230 nan 0.000 0.432 308 I N -0.494 120.110 120.570 0.057 0.000 2.226 308 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 308 I C 1.463 177.699 176.117 0.198 0.000 1.100 308 I CA 1.499 62.966 61.300 0.279 0.000 1.374 308 I CB -0.355 37.834 38.000 0.315 0.000 1.057 308 I HN 0.527 nan 8.210 nan 0.000 0.413 309 G N 0.442 109.317 108.800 0.126 0.000 2.161 309 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.140 309 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.140 309 G C 0.040 174.976 174.900 0.059 0.000 1.040 309 G CA -0.751 44.402 45.100 0.089 0.000 0.735 309 G HN 0.049 nan 8.290 nan 0.000 0.496 310 I N 1.957 122.552 120.570 0.042 0.000 2.587 310 I HA 0.137 4.307 4.170 -0.001 0.000 0.284 310 I C 0.951 177.056 176.117 -0.019 0.000 1.134 310 I CA 0.010 61.298 61.300 -0.021 0.000 1.410 310 I CB 0.475 38.425 38.000 -0.083 0.000 1.392 310 I HN 0.115 nan 8.210 nan 0.000 0.545 311 D N 4.937 125.332 120.400 -0.009 0.000 2.162 311 D HA -0.067 4.573 4.640 -0.001 0.000 0.203 311 D C 0.326 176.644 176.300 0.031 0.000 0.967 311 D CA 1.242 55.265 54.000 0.038 0.000 0.840 311 D CB 0.510 41.353 40.800 0.073 0.000 0.972 311 D HN 0.618 nan 8.370 nan 0.000 0.482 312 Q N 0.248 120.011 119.800 -0.062 0.000 2.304 312 Q HA 0.570 4.909 4.340 -0.001 0.000 0.270 312 Q C -1.364 174.479 176.000 -0.262 0.000 1.035 312 Q CA -0.563 55.182 55.803 -0.095 0.000 0.781 312 Q CB 3.037 31.711 28.738 -0.106 0.000 1.261 312 Q HN -0.050 nan 8.270 nan 0.000 0.444 313 L N 1.544 122.645 121.223 -0.204 0.000 2.408 313 L HA 0.407 4.747 4.340 -0.001 0.000 0.268 313 L C -1.043 175.713 176.870 -0.190 0.000 0.986 313 L CA -0.334 54.364 54.840 -0.238 0.000 0.820 313 L CB 1.691 43.641 42.059 -0.181 0.000 1.303 313 L HN 0.668 nan 8.230 nan 0.000 0.411 314 H N 3.865 122.729 119.070 -0.344 0.000 2.764 314 H HA 0.274 4.830 4.556 -0.001 0.000 0.341 314 H C 0.473 175.655 175.328 -0.244 0.000 1.072 314 H CA 0.605 56.494 56.048 -0.266 0.000 1.444 314 H CB 1.654 31.203 29.762 -0.354 0.000 1.458 314 H HN 0.625 nan 8.280 nan 0.000 0.572 315 V N -0.006 119.870 119.914 -0.062 0.000 3.485 315 V HA 0.456 4.576 4.120 -0.001 0.000 0.280 315 V C 0.822 176.970 176.094 0.090 0.000 1.495 315 V CA 0.425 62.718 62.300 -0.011 0.000 1.018 315 V CB 0.536 32.407 31.823 0.080 0.000 0.818 315 V HN 1.050 nan 8.190 nan 0.000 0.436 316 G N 1.236 110.063 108.800 0.046 0.000 2.462 316 G HA2 0.128 4.087 3.960 -0.001 0.000 0.685 316 G HA3 0.128 4.087 3.960 -0.001 0.000 0.685 316 G C 0.091 175.018 174.900 0.045 0.000 1.295 316 G CA 0.309 45.451 45.100 0.069 0.000 0.941 316 G HN 1.288 nan 8.290 nan 0.000 0.554 317 T N -2.607 111.969 114.554 0.037 0.000 3.228 317 T HA 0.652 5.002 4.350 -0.001 0.000 0.278 317 T C 1.423 176.126 174.700 0.005 0.000 1.014 317 T CA 1.540 63.647 62.100 0.013 0.000 0.904 317 T CB 0.267 69.137 68.868 0.003 0.000 1.110 317 T HN 2.655 nan 8.240 nan 0.000 0.541 318 A N 0.183 123.010 122.820 0.011 0.000 2.783 318 A HA 0.122 4.442 4.320 -0.001 0.000 0.292 318 A C 1.868 179.449 177.584 -0.005 0.000 1.495 318 A CA 1.157 53.190 52.037 -0.006 0.000 0.787 318 A CB -2.165 16.826 19.000 -0.015 0.000 1.017 318 A HN 2.239 nan 8.150 nan 0.000 0.516 319 G N -3.172 105.631 108.800 0.005 0.000 2.217 319 G HA2 0.108 4.068 3.960 -0.001 0.000 0.246 319 G HA3 0.108 4.068 3.960 -0.001 0.000 0.246 319 G C 1.307 176.211 174.900 0.006 0.000 0.990 319 G CA 1.176 46.280 45.100 0.007 0.000 0.627 319 G HN 2.290 nan 8.290 nan 0.000 0.522 320 A N 0.225 123.042 122.820 -0.005 0.000 2.218 320 A HA 0.661 4.981 4.320 -0.001 0.000 0.209 320 A C 1.574 179.146 177.584 -0.020 0.000 1.168 320 A CA 1.858 53.885 52.037 -0.018 0.000 0.804 320 A CB -0.127 18.847 19.000 -0.043 0.000 0.834 320 A HN 1.730 nan 8.150 nan 0.000 0.482 321 G N -0.705 108.093 108.800 -0.004 0.000 2.887 321 G HA2 0.426 4.385 3.960 -0.001 0.000 0.277 321 G HA3 0.426 4.385 3.960 -0.001 0.000 0.277 321 G C 0.575 175.488 174.900 0.022 0.000 1.346 321 G CA 0.051 45.153 45.100 0.002 0.000 1.058 321 G HN 0.254 nan 8.290 nan 0.000 0.535 322 K N -1.232 119.184 120.400 0.027 0.000 2.459 322 K HA 0.212 4.531 4.320 -0.001 0.000 0.193 322 K C 0.189 176.811 176.600 0.037 0.000 1.030 322 K CA 0.325 56.632 56.287 0.033 0.000 1.026 322 K CB -0.130 32.390 32.500 0.033 0.000 0.809 322 K HN 0.211 nan 8.250 nan 0.000 0.504 323 L N 1.915 123.163 121.223 0.042 0.000 2.334 323 L HA 0.289 4.629 4.340 -0.001 0.000 0.276 323 L C 0.195 177.096 176.870 0.051 0.000 1.014 323 L CA -1.144 53.725 54.840 0.048 0.000 0.815 323 L CB 1.728 43.826 42.059 0.065 0.000 1.268 323 L HN 0.109 nan 8.230 nan 0.000 0.428 324 E N 1.810 122.039 120.200 0.048 0.000 2.502 324 E HA 0.218 4.568 4.350 -0.001 0.000 0.261 324 E C -0.170 176.474 176.600 0.074 0.000 0.974 324 E CA 0.509 56.940 56.400 0.051 0.000 0.936 324 E CB 0.957 30.681 29.700 0.041 0.000 0.926 324 E HN 0.791 nan 8.360 nan 0.000 0.459 325 G N 4.471 113.308 108.800 0.062 0.000 2.509 325 G HA2 0.003 3.963 3.960 -0.001 0.000 0.216 325 G HA3 0.003 3.963 3.960 -0.001 0.000 0.216 325 G C -0.753 174.163 174.900 0.027 0.000 3.092 325 G CA -0.736 44.407 45.100 0.072 0.000 0.700 325 G HN 0.478 nan 8.290 nan 0.000 0.451 326 E N 1.042 121.243 120.200 0.001 0.000 2.418 326 E HA 0.112 4.462 4.350 -0.001 0.000 0.261 326 E C 1.502 178.073 176.600 -0.049 0.000 1.070 326 E CA -0.303 56.083 56.400 -0.024 0.000 0.931 326 E CB 1.553 31.232 29.700 -0.036 0.000 0.954 326 E HN 0.537 nan 8.360 nan 0.000 0.439 327 R N 2.334 122.811 120.500 -0.038 0.000 2.080 327 R HA -0.205 4.135 4.340 -0.001 0.000 0.236 327 R C 1.569 177.827 176.300 -0.069 0.000 1.137 327 R CA 2.362 58.436 56.100 -0.043 0.000 0.943 327 R CB -0.211 30.073 30.300 -0.026 0.000 0.846 327 R HN 0.714 nan 8.270 nan 0.000 0.431 328 D N 0.683 121.045 120.400 -0.063 0.000 2.103 328 D HA -0.248 4.391 4.640 -0.001 0.000 0.190 328 D C 2.094 178.311 176.300 -0.139 0.000 0.997 328 D CA 1.690 55.650 54.000 -0.067 0.000 0.833 328 D CB -0.718 40.059 40.800 -0.037 0.000 0.961 328 D HN 0.421 nan 8.370 nan 0.000 0.447 329 I N 1.002 121.450 120.570 -0.202 0.000 2.286 329 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 329 I C 2.438 178.079 176.117 -0.793 0.000 1.115 329 I CA 1.384 62.433 61.300 -0.419 0.000 1.392 329 I CB -0.420 37.376 38.000 -0.341 0.000 1.065 329 I HN 0.041 nan 8.210 nan 0.000 0.418 330 T N 1.104 115.384 114.554 -0.456 0.000 2.821 330 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 330 T C 1.838 176.408 174.700 -0.216 0.000 1.046 330 T CA 0.970 62.876 62.100 -0.322 0.000 1.139 330 T CB -0.242 68.583 68.868 -0.072 0.000 0.871 330 T HN 0.174 nan 8.240 nan 0.000 0.454 331 L N 1.673 122.800 121.223 -0.160 0.000 2.131 331 L HA 0.132 4.472 4.340 -0.001 0.000 0.210 331 L C 2.434 179.279 176.870 -0.042 0.000 1.092 331 L CA 1.759 56.559 54.840 -0.067 0.000 0.759 331 L CB -1.234 40.801 42.059 -0.039 0.000 0.903 331 L HN 0.261 nan 8.230 nan 0.000 0.435 332 G N -0.895 107.837 108.800 -0.114 0.000 2.421 332 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.216 332 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.216 332 G C 1.373 176.308 174.900 0.058 0.000 1.171 332 G CA 0.905 46.020 45.100 0.026 0.000 0.775 332 G HN 0.383 nan 8.290 nan 0.000 0.543 333 F N 0.956 120.888 119.950 -0.030 0.000 2.095 333 F HA -0.080 4.446 4.527 -0.001 0.000 0.298 333 F C 2.918 178.618 175.800 -0.167 0.000 1.104 333 F CA 0.206 58.102 58.000 -0.174 0.000 1.232 333 F CB -1.268 37.661 39.000 -0.119 0.000 0.987 333 F HN -0.018 nan 8.300 nan 0.000 0.475 334 V N 0.331 120.301 119.914 0.093 0.000 2.287 334 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 334 V C 2.175 178.269 176.094 -0.000 0.000 1.053 334 V CA 2.224 64.541 62.300 0.028 0.000 1.027 334 V CB -0.618 31.221 31.823 0.028 0.000 0.646 334 V HN 0.204 nan 8.190 nan 0.000 0.447 335 D N -0.277 120.152 120.400 0.048 0.000 2.117 335 D HA -0.152 4.488 4.640 -0.001 0.000 0.197 335 D C 1.956 178.305 176.300 0.083 0.000 0.987 335 D CA 1.109 55.176 54.000 0.111 0.000 0.829 335 D CB -0.362 40.587 40.800 0.248 0.000 0.961 335 D HN 0.322 nan 8.370 nan 0.000 0.460 336 L N 0.496 121.678 121.223 -0.068 0.000 2.079 336 L HA -0.105 4.235 4.340 -0.001 0.000 0.210 336 L C 2.075 178.714 176.870 -0.385 0.000 1.081 336 L CA 1.338 55.981 54.840 -0.328 0.000 0.752 336 L CB -0.324 41.280 42.059 -0.758 0.000 0.896 336 L HN 0.035 nan 8.230 nan 0.000 0.433 337 L N -1.593 119.455 121.223 -0.292 0.000 2.270 337 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 337 L C 2.477 179.169 176.870 -0.297 0.000 1.104 337 L CA 0.631 55.285 54.840 -0.311 0.000 0.804 337 L CB -0.253 41.693 42.059 -0.189 0.000 0.937 337 L HN 0.207 nan 8.230 nan 0.000 0.450 338 R N -0.489 119.889 120.500 -0.204 0.000 2.167 338 R HA 0.119 4.459 4.340 -0.001 0.000 0.201 338 R C 0.267 176.487 176.300 -0.133 0.000 1.024 338 R CA -0.003 55.999 56.100 -0.164 0.000 1.053 338 R CB 0.286 30.520 30.300 -0.110 0.000 0.987 338 R HN 0.301 nan 8.270 nan 0.000 0.493 339 E N 1.208 121.363 120.200 -0.074 0.000 2.338 339 E HA -0.003 4.347 4.350 -0.001 0.000 0.272 339 E C 0.640 177.270 176.600 0.050 0.000 1.029 339 E CA -0.061 56.357 56.400 0.030 0.000 0.872 339 E CB 1.338 31.129 29.700 0.153 0.000 1.015 339 E HN 0.134 nan 8.360 nan 0.000 0.417 340 S N 2.129 117.885 115.700 0.094 0.000 2.461 340 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 340 S C 0.648 175.408 174.600 0.267 0.000 1.005 340 S CA 0.654 58.943 58.200 0.148 0.000 0.942 340 S CB -0.045 63.207 63.200 0.086 0.000 0.776 340 S HN 0.671 nan 8.310 nan 0.000 0.514 341 H N -0.247 118.915 119.070 0.155 0.000 2.808 341 H HA 0.343 4.899 4.556 -0.000 0.000 0.268 341 H C -1.427 174.007 175.328 0.176 0.000 1.306 341 H CA -1.138 54.987 56.048 0.128 0.000 1.565 341 H CB 0.238 30.008 29.762 0.013 0.000 1.632 341 H HN 0.356 nan 8.280 nan 0.000 0.525 342 Y N 4.481 125.019 120.300 0.397 0.000 2.465 342 Y HA 0.224 4.774 4.550 -0.001 0.000 0.331 342 Y C -0.817 175.268 175.900 0.309 0.000 1.102 342 Y CA 0.140 58.433 58.100 0.321 0.000 1.358 342 Y CB 0.405 39.083 38.460 0.364 0.000 1.213 342 Y HN 0.439 nan 8.280 nan 0.000 0.525 343 K N 8.948 129.021 120.400 -0.544 0.000 2.545 343 K HA 0.329 4.649 4.320 -0.001 0.000 0.252 343 K C -2.757 173.434 176.600 -0.681 0.000 0.948 343 K CA -1.969 54.044 56.287 -0.457 0.000 0.827 343 K CB 1.750 34.126 32.500 -0.207 0.000 1.128 343 K HN 0.500 nan 8.250 nan 0.000 0.429 344 P HA 0.095 nan 4.420 nan 0.000 0.278 344 P C -0.676 176.570 177.300 -0.091 0.000 1.238 344 P CA -0.406 62.570 63.100 -0.206 0.000 0.794 344 P CB 0.656 32.426 31.700 0.117 0.000 0.955 345 D N 1.097 121.479 120.400 -0.031 0.000 2.474 345 D HA -0.017 4.623 4.640 -0.001 0.000 0.232 345 D C 1.829 178.111 176.300 -0.030 0.000 1.177 345 D CA 0.611 54.596 54.000 -0.026 0.000 0.876 345 D CB 0.334 41.136 40.800 0.003 0.000 1.208 345 D HN 0.562 nan 8.370 nan 0.000 0.464 346 E N 1.936 122.114 120.200 -0.037 0.000 2.160 346 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 346 E C 1.359 177.927 176.600 -0.053 0.000 0.991 346 E CA 1.852 58.228 56.400 -0.041 0.000 0.810 346 E CB -1.129 28.551 29.700 -0.034 0.000 0.742 346 E HN 0.790 nan 8.360 nan 0.000 0.466 347 N N -0.545 118.126 118.700 -0.048 0.000 2.398 347 N HA -0.039 4.701 4.740 -0.001 0.000 0.188 347 N C 0.403 175.848 175.510 -0.108 0.000 1.122 347 N CA 0.295 53.304 53.050 -0.068 0.000 0.866 347 N CB 0.289 38.752 38.487 -0.040 0.000 0.970 347 N HN 0.170 nan 8.380 nan 0.000 0.462 348 D N 1.872 122.226 120.400 -0.077 0.000 2.344 348 D HA -0.020 4.620 4.640 -0.001 0.000 0.253 348 D C 1.122 177.277 176.300 -0.241 0.000 1.255 348 D CA -0.313 53.642 54.000 -0.076 0.000 0.894 348 D CB 1.464 42.311 40.800 0.078 0.000 1.067 348 D HN 0.185 nan 8.370 nan 0.000 0.492 349 V N 1.954 121.549 119.914 -0.531 0.000 3.633 349 V HA 0.180 4.300 4.120 -0.001 0.000 0.283 349 V C 0.913 176.549 176.094 -0.763 0.000 1.305 349 V CA 0.218 62.093 62.300 -0.709 0.000 1.153 349 V CB -1.007 30.235 31.823 -0.968 0.000 0.950 349 V HN 0.264 nan 8.190 nan 0.000 0.432 350 F N 0.491 120.183 119.950 -0.430 0.000 2.453 350 F HA 0.424 4.950 4.527 -0.001 0.000 0.284 350 F C 1.237 176.607 175.800 -0.718 0.000 1.065 350 F CA -0.109 57.489 58.000 -0.671 0.000 1.411 350 F CB -0.206 38.162 39.000 -1.054 0.000 1.131 350 F HN 0.307 nan 8.300 nan 0.000 0.582 351 H N -0.245 118.789 119.070 -0.060 0.000 2.569 351 H HA 0.644 5.200 4.556 -0.001 0.000 0.357 351 H C -0.663 174.715 175.328 0.084 0.000 1.153 351 H CA -0.814 55.168 56.048 -0.109 0.000 1.193 351 H CB 1.680 31.234 29.762 -0.347 0.000 1.602 351 H HN -0.147 nan 8.280 nan 0.000 0.523 352 L N 0.819 122.214 121.223 0.286 0.000 2.334 352 L HA 0.304 4.644 4.340 -0.001 0.000 0.270 352 L C 0.507 177.598 176.870 0.368 0.000 1.018 352 L CA -0.913 54.066 54.840 0.230 0.000 0.811 352 L CB 1.560 43.697 42.059 0.130 0.000 1.271 352 L HN 0.645 nan 8.230 nan 0.000 0.443 353 E N 1.480 121.820 120.200 0.234 0.000 2.442 353 E HA 0.011 4.361 4.350 -0.001 0.000 0.262 353 E C -0.897 175.906 176.600 0.338 0.000 1.004 353 E CA 0.037 56.596 56.400 0.265 0.000 0.928 353 E CB 0.685 30.479 29.700 0.156 0.000 0.937 353 E HN 0.401 nan 8.360 nan 0.000 0.446 354 Q N 3.081 123.070 119.800 0.315 0.000 2.296 354 Q HA 0.233 4.573 4.340 -0.001 0.000 0.254 354 Q C -1.830 174.033 176.000 -0.227 0.000 0.936 354 Q CA -0.541 55.301 55.803 0.065 0.000 0.834 354 Q CB 1.145 29.847 28.738 -0.059 0.000 1.340 354 Q HN 0.362 nan 8.270 nan 0.000 0.428 355 K N 3.346 123.497 120.400 -0.416 0.000 2.205 355 K HA 0.328 4.648 4.320 -0.001 0.000 0.279 355 K C -0.320 175.969 176.600 -0.519 0.000 1.027 355 K CA -0.192 55.730 56.287 -0.607 0.000 0.932 355 K CB 0.737 32.672 32.500 -0.941 0.000 1.032 355 K HN 0.588 nan 8.250 nan 0.000 0.466 356 F N 1.033 120.878 119.950 -0.175 0.000 2.704 356 F HA 0.100 4.626 4.527 -0.001 0.000 0.304 356 F C 0.220 176.113 175.800 0.156 0.000 1.094 356 F CA -0.266 57.750 58.000 0.028 0.000 1.275 356 F CB -0.148 38.850 39.000 -0.002 0.000 1.073 356 F HN 0.656 nan 8.300 nan 0.000 0.586 357 Y N -0.556 119.813 120.300 0.114 0.000 2.836 357 Y HA -0.512 4.038 4.550 0.000 0.000 0.470 357 Y C 2.281 178.232 175.900 0.085 0.000 1.156 357 Y CA 1.421 59.565 58.100 0.072 0.000 2.676 357 Y CB -1.840 36.640 38.460 0.033 0.000 1.184 357 Y HN 0.017 nan 8.280 nan 0.000 0.622 358 S N 0.413 116.277 115.700 0.273 0.000 2.548 358 S HA 0.213 4.682 4.470 -0.001 0.000 0.215 358 S C 0.383 175.057 174.600 0.124 0.000 0.976 358 S CA 0.165 58.455 58.200 0.151 0.000 0.908 358 S CB -0.018 63.247 63.200 0.108 0.000 0.781 358 S HN 0.307 nan 8.310 nan 0.000 0.519 359 I N 3.772 124.445 120.570 0.173 0.000 2.752 359 I HA 0.058 4.227 4.170 -0.001 0.000 0.286 359 I C 0.772 176.918 176.117 0.047 0.000 1.180 359 I CA 0.329 61.709 61.300 0.133 0.000 1.404 359 I CB -0.569 37.563 38.000 0.220 0.000 1.389 359 I HN 0.291 nan 8.210 nan 0.000 0.549 360 K N 4.464 124.871 120.400 0.012 0.000 2.336 360 K HA 0.323 4.643 4.320 -0.001 0.000 0.262 360 K C 0.386 176.931 176.600 -0.091 0.000 0.992 360 K CA -0.443 55.827 56.287 -0.029 0.000 0.927 360 K CB 0.534 33.025 32.500 -0.015 0.000 0.956 360 K HN 0.729 nan 8.250 nan 0.000 0.495 361 A N 1.026 123.778 122.820 -0.114 0.000 2.407 361 A HA 0.429 4.749 4.320 -0.001 0.000 0.248 361 A C -0.263 177.234 177.584 -0.145 0.000 1.082 361 A CA -0.216 51.718 52.037 -0.172 0.000 0.785 361 A CB 0.352 19.244 19.000 -0.179 0.000 1.020 361 A HN 0.703 nan 8.150 nan 0.000 0.489 362 A N 1.186 123.910 122.820 -0.160 0.000 2.312 362 A HA 0.625 4.944 4.320 -0.001 0.000 0.326 362 A C -0.656 176.901 177.584 -0.046 0.000 1.172 362 A CA -0.438 51.547 52.037 -0.086 0.000 0.821 362 A CB 0.227 19.166 19.000 -0.101 0.000 1.166 362 A HN 0.759 nan 8.150 nan 0.000 0.493 363 F N 3.694 123.598 119.950 -0.077 0.000 2.439 363 F HA 0.352 4.878 4.527 -0.001 0.000 0.356 363 F C -2.066 173.679 175.800 -0.091 0.000 1.161 363 F CA -2.406 55.555 58.000 -0.065 0.000 1.151 363 F CB 0.616 39.590 39.000 -0.043 0.000 1.222 363 F HN 0.272 nan 8.300 nan 0.000 0.558 364 P HA 0.073 nan 4.420 nan 0.000 0.267 364 P C -0.745 176.577 177.300 0.036 0.000 1.205 364 P CA 0.194 63.339 63.100 0.075 0.000 0.765 364 P CB 0.546 32.283 31.700 0.062 0.000 0.828 365 T N 1.965 116.456 114.554 -0.105 0.000 2.786 365 T HA 0.373 4.723 4.350 -0.001 0.000 0.283 365 T C -0.264 174.299 174.700 -0.229 0.000 0.992 365 T CA -0.383 61.578 62.100 -0.231 0.000 0.954 365 T CB 0.673 69.245 68.868 -0.493 0.000 0.934 365 T HN 0.143 nan 8.240 nan 0.000 0.440 366 S N 2.565 118.190 115.700 -0.125 0.000 2.437 366 S HA 0.758 5.228 4.470 -0.001 0.000 0.305 366 S C -0.559 174.019 174.600 -0.038 0.000 1.109 366 S CA -0.471 57.693 58.200 -0.061 0.000 1.099 366 S CB 0.698 63.887 63.200 -0.019 0.000 1.004 366 S HN 0.755 nan 8.310 nan 0.000 0.475 367 S N 3.100 118.807 115.700 0.011 0.000 2.565 367 S HA 0.747 5.217 4.470 -0.001 0.000 0.269 367 S C -0.580 174.073 174.600 0.088 0.000 1.153 367 S CA 0.313 58.556 58.200 0.073 0.000 0.835 367 S CB 1.058 64.355 63.200 0.162 0.000 1.122 367 S HN 2.082 nan 8.310 nan 0.000 0.462 368 G N 0.962 109.808 108.800 0.077 0.000 3.017 368 G HA2 0.447 4.407 3.960 -0.001 0.000 0.680 368 G HA3 0.447 4.407 3.960 -0.001 0.000 0.680 368 G C 1.005 175.919 174.900 0.024 0.000 1.179 368 G CA 0.518 45.657 45.100 0.064 0.000 1.142 368 G HN 2.311 nan 8.290 nan 0.000 0.489 369 G N -0.261 108.541 108.800 0.003 0.000 2.137 369 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.237 369 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.237 369 G C 0.431 175.295 174.900 -0.059 0.000 1.002 369 G CA 0.448 45.536 45.100 -0.019 0.000 0.702 369 G HN 1.459 nan 8.290 nan 0.000 0.515 370 L N 0.755 121.923 121.223 -0.091 0.000 2.307 370 L HA 0.763 5.103 4.340 -0.001 0.000 0.282 370 L C 0.723 177.463 176.870 -0.216 0.000 1.051 370 L CA -1.020 53.715 54.840 -0.175 0.000 0.804 370 L CB 1.189 43.179 42.059 -0.115 0.000 1.197 370 L HN 0.569 nan 8.230 nan 0.000 0.431 371 H N 0.458 119.379 119.070 -0.249 0.000 2.977 371 H HA 0.425 4.980 4.556 -0.001 0.000 0.350 371 H C -2.590 172.655 175.328 -0.140 0.000 1.238 371 H CA -2.113 53.742 56.048 -0.322 0.000 1.124 371 H CB 0.607 29.996 29.762 -0.621 0.000 1.866 371 H HN 0.119 nan 8.280 nan 0.000 0.550 372 P HA -0.127 nan 4.420 nan 0.000 0.217 372 P C 1.384 178.714 177.300 0.049 0.000 1.148 372 P CA 2.516 65.639 63.100 0.038 0.000 0.834 372 P CB -0.142 31.634 31.700 0.127 0.000 0.783 373 G N -0.837 108.095 108.800 0.220 0.000 2.920 373 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.208 373 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.208 373 G C 0.847 175.775 174.900 0.046 0.000 1.159 373 G CA 0.232 45.409 45.100 0.129 0.000 0.784 373 G HN 0.365 nan 8.290 nan 0.000 0.535 374 N N 0.063 118.549 118.700 -0.356 0.000 2.167 374 N HA 0.027 4.766 4.740 -0.001 0.000 0.234 374 N C 1.502 176.888 175.510 -0.206 0.000 1.312 374 N CA -0.025 52.849 53.050 -0.294 0.000 0.861 374 N CB -0.507 37.687 38.487 -0.489 0.000 1.217 374 N HN 0.417 nan 8.380 nan 0.000 0.504 375 I N -2.444 118.024 120.570 -0.169 0.000 2.584 375 I HA 0.039 4.209 4.170 -0.001 0.000 0.255 375 I C 2.328 178.404 176.117 -0.068 0.000 1.145 375 I CA 0.513 61.744 61.300 -0.115 0.000 1.462 375 I CB -0.280 37.650 38.000 -0.116 0.000 1.102 375 I HN -0.054 nan 8.210 nan 0.000 0.433 376 Q N 3.352 123.124 119.800 -0.047 0.000 2.028 376 Q HA -0.196 4.144 4.340 -0.001 0.000 0.213 376 Q C -0.541 175.440 176.000 -0.031 0.000 1.017 376 Q CA 3.052 58.837 55.803 -0.031 0.000 0.875 376 Q CB -2.151 26.585 28.738 -0.005 0.000 0.962 376 Q HN 0.332 nan 8.270 nan 0.000 0.413 377 P HA -0.083 nan 4.420 nan 0.000 0.222 377 P C 1.236 178.521 177.300 -0.026 0.000 1.147 377 P CA 1.203 64.288 63.100 -0.025 0.000 0.790 377 P CB -0.008 31.679 31.700 -0.022 0.000 0.780 378 V N -0.278 119.617 119.914 -0.032 0.000 2.255 378 V HA -0.190 3.929 4.120 -0.001 0.000 0.243 378 V C 2.343 178.426 176.094 -0.018 0.000 1.038 378 V CA 1.507 63.791 62.300 -0.026 0.000 1.008 378 V CB -1.031 30.771 31.823 -0.034 0.000 0.645 378 V HN 0.028 nan 8.190 nan 0.000 0.449 379 I N 0.653 121.211 120.570 -0.021 0.000 2.335 379 I HA -0.245 3.925 4.170 -0.001 0.000 0.251 379 I C 2.955 179.065 176.117 -0.012 0.000 1.129 379 I CA 1.767 63.059 61.300 -0.013 0.000 1.402 379 I CB -0.792 37.196 38.000 -0.021 0.000 1.069 379 I HN 0.512 nan 8.210 nan 0.000 0.424 380 E N 1.229 121.419 120.200 -0.017 0.000 2.051 380 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 380 E C 2.289 178.882 176.600 -0.012 0.000 0.991 380 E CA 1.686 58.076 56.400 -0.016 0.000 0.799 380 E CB -0.772 28.917 29.700 -0.018 0.000 0.748 380 E HN 0.631 nan 8.360 nan 0.000 0.449 381 A N -1.024 121.789 122.820 -0.012 0.000 2.021 381 A HA 0.362 4.682 4.320 -0.001 0.000 0.216 381 A C 2.068 179.648 177.584 -0.007 0.000 1.163 381 A CA 1.246 53.276 52.037 -0.011 0.000 0.676 381 A CB 0.211 19.202 19.000 -0.015 0.000 0.818 381 A HN 0.367 nan 8.150 nan 0.000 0.453 382 L N -1.725 119.497 121.223 -0.002 0.000 2.638 382 L HA 0.393 4.733 4.340 -0.001 0.000 0.232 382 L C 1.254 178.131 176.870 0.013 0.000 1.099 382 L CA 0.961 55.805 54.840 0.007 0.000 0.883 382 L CB -0.577 41.490 42.059 0.013 0.000 1.136 382 L HN 0.592 nan 8.230 nan 0.000 0.492 383 G N -0.271 108.534 108.800 0.009 0.000 2.728 383 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.294 383 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.294 383 G C 0.649 175.565 174.900 0.026 0.000 1.342 383 G CA 0.091 45.198 45.100 0.012 0.000 0.866 383 G HN 0.208 nan 8.290 nan 0.000 0.534 384 T N -3.148 111.424 114.554 0.031 0.000 3.065 384 T HA 0.236 4.585 4.350 -0.001 0.000 0.252 384 T C 0.741 175.505 174.700 0.107 0.000 1.099 384 T CA 1.319 63.451 62.100 0.053 0.000 1.063 384 T CB 0.274 69.165 68.868 0.038 0.000 0.948 384 T HN 0.405 nan 8.240 nan 0.000 0.506 385 D N 2.628 123.081 120.400 0.088 0.000 2.688 385 D HA 0.390 5.029 4.640 -0.001 0.000 0.228 385 D C 0.041 176.503 176.300 0.271 0.000 1.116 385 D CA -0.177 53.893 54.000 0.117 0.000 1.023 385 D CB -0.369 40.383 40.800 -0.079 0.000 1.100 385 D HN 0.736 nan 8.370 nan 0.000 0.487 386 I N -3.117 117.706 120.570 0.423 0.000 3.102 386 I HA 0.536 4.705 4.170 -0.001 0.000 0.310 386 I C -1.014 175.179 176.117 0.128 0.000 1.246 386 I CA -1.217 60.280 61.300 0.328 0.000 0.979 386 I CB 1.995 40.074 38.000 0.132 0.000 1.267 386 I HN -0.359 nan 8.210 nan 0.000 0.451 387 V N 4.016 123.892 119.914 -0.063 0.000 2.394 387 V HA 0.458 4.578 4.120 -0.001 0.000 0.282 387 V C -0.022 176.063 176.094 -0.015 0.000 1.031 387 V CA -0.443 61.758 62.300 -0.165 0.000 0.881 387 V CB 1.408 33.049 31.823 -0.303 0.000 0.982 387 V HN 0.468 nan 8.190 nan 0.000 0.451 388 L N 4.706 125.973 121.223 0.073 0.000 2.295 388 L HA 0.566 4.906 4.340 -0.001 0.000 0.285 388 L C -0.082 176.890 176.870 0.171 0.000 1.035 388 L CA -0.216 54.685 54.840 0.102 0.000 0.806 388 L CB 1.470 43.592 42.059 0.104 0.000 1.214 388 L HN 0.525 nan 8.230 nan 0.000 0.426 389 Q N 4.241 124.118 119.800 0.129 0.000 2.327 389 Q HA 0.445 4.785 4.340 -0.001 0.000 0.270 389 Q C -1.741 174.321 176.000 0.102 0.000 1.022 389 Q CA -0.735 55.153 55.803 0.141 0.000 0.773 389 Q CB 1.913 30.769 28.738 0.198 0.000 1.251 389 Q HN 0.433 nan 8.270 nan 0.000 0.457 390 L N 3.944 125.229 121.223 0.104 0.000 2.401 390 L HA 0.463 4.802 4.340 -0.001 0.000 0.263 390 L C 0.923 177.821 176.870 0.046 0.000 1.004 390 L CA -0.153 54.731 54.840 0.075 0.000 0.881 390 L CB 1.676 43.798 42.059 0.105 0.000 1.219 390 L HN 0.772 nan 8.230 nan 0.000 0.441 391 G N 1.551 110.368 108.800 0.029 0.000 2.658 391 G HA2 0.035 3.995 3.960 -0.001 0.000 0.217 391 G HA3 0.035 3.995 3.960 -0.001 0.000 0.217 391 G C 1.305 176.215 174.900 0.016 0.000 1.319 391 G CA 0.633 45.749 45.100 0.027 0.000 0.885 391 G HN 0.679 nan 8.290 nan 0.000 0.553 392 G N 0.603 109.405 108.800 0.004 0.000 2.450 392 G HA2 0.050 4.010 3.960 -0.001 0.000 0.220 392 G HA3 0.050 4.010 3.960 -0.001 0.000 0.220 392 G C 1.667 176.518 174.900 -0.082 0.000 1.130 392 G CA 1.373 46.475 45.100 0.003 0.000 0.760 392 G HN 0.722 nan 8.290 nan 0.000 0.557 393 G N -0.777 107.898 108.800 -0.209 0.000 2.625 393 G HA2 0.114 4.073 3.960 -0.001 0.000 0.214 393 G HA3 0.114 4.073 3.960 -0.001 0.000 0.214 393 G C 1.467 176.304 174.900 -0.105 0.000 1.132 393 G CA 1.548 46.394 45.100 -0.423 0.000 0.782 393 G HN 0.414 nan 8.290 nan 0.000 0.538 394 T N -0.099 114.487 114.554 0.052 0.000 3.085 394 T HA 0.157 4.507 4.350 -0.001 0.000 0.241 394 T C 2.143 176.954 174.700 0.185 0.000 0.988 394 T CA -0.170 62.016 62.100 0.144 0.000 1.117 394 T CB 0.032 68.975 68.868 0.124 0.000 0.978 394 T HN 0.084 nan 8.240 nan 0.000 0.454 395 L N 1.184 122.488 121.223 0.135 0.000 2.395 395 L HA 0.237 4.577 4.340 -0.001 0.000 0.218 395 L C 2.350 179.336 176.870 0.193 0.000 1.130 395 L CA 0.603 55.516 54.840 0.122 0.000 0.826 395 L CB -0.114 41.978 42.059 0.055 0.000 0.941 395 L HN 0.339 nan 8.230 nan 0.000 0.451 396 G N -2.494 106.498 108.800 0.319 0.000 2.985 396 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.209 396 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.209 396 G C 0.533 175.654 174.900 0.368 0.000 1.165 396 G CA -0.294 45.054 45.100 0.414 0.000 0.776 396 G HN 0.252 nan 8.290 nan 0.000 0.541 397 H N 1.293 120.535 119.070 0.287 0.000 2.886 397 H HA 0.076 4.631 4.556 -0.001 0.000 0.329 397 H C -1.380 173.919 175.328 -0.048 0.000 1.044 397 H CA -1.131 54.967 56.048 0.082 0.000 1.456 397 H CB 1.936 31.779 29.762 0.136 0.000 1.464 397 H HN -0.024 nan 8.280 nan 0.000 0.573 398 P HA -0.111 nan 4.420 nan 0.000 0.219 398 P C 0.343 177.617 177.300 -0.044 0.000 1.146 398 P CA 1.181 64.134 63.100 -0.246 0.000 0.808 398 P CB 0.386 31.858 31.700 -0.380 0.000 0.779 399 D N -1.534 118.961 120.400 0.158 0.000 2.369 399 D HA 0.290 4.929 4.640 -0.001 0.000 0.211 399 D C 1.145 177.527 176.300 0.137 0.000 1.077 399 D CA 0.579 54.677 54.000 0.163 0.000 0.842 399 D CB 0.486 41.406 40.800 0.200 0.000 0.947 399 D HN 0.106 nan 8.370 nan 0.000 0.509 400 G N 1.269 110.166 108.800 0.161 0.000 2.555 400 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 400 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 400 G C -2.318 172.626 174.900 0.073 0.000 1.275 400 G CA -0.879 44.275 45.100 0.089 0.000 0.871 400 G HN -0.189 nan 8.290 nan 0.000 0.603 401 P HA -0.091 nan 4.420 nan 0.000 0.213 401 P C 2.447 179.727 177.300 -0.034 0.000 1.170 401 P CA 3.269 66.375 63.100 0.009 0.000 0.902 401 P CB -0.141 31.547 31.700 -0.020 0.000 0.789 402 A N 0.043 122.836 122.820 -0.044 0.000 1.881 402 A HA -0.306 4.014 4.320 -0.001 0.000 0.219 402 A C 2.398 179.924 177.584 -0.097 0.000 1.215 402 A CA 3.193 55.193 52.037 -0.062 0.000 0.648 402 A CB -1.815 17.158 19.000 -0.045 0.000 0.832 402 A HN 0.236 nan 8.150 nan 0.000 0.455 403 A N -0.970 121.775 122.820 -0.125 0.000 1.908 403 A HA 0.105 4.425 4.320 -0.001 0.000 0.218 403 A C 2.522 179.800 177.584 -0.511 0.000 1.181 403 A CA 2.161 54.042 52.037 -0.259 0.000 0.627 403 A CB -1.560 17.316 19.000 -0.207 0.000 0.818 403 A HN 0.972 nan 8.150 nan 0.000 0.445 404 G N -0.462 108.059 108.800 -0.465 0.000 2.469 404 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.219 404 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.219 404 G C 1.754 176.585 174.900 -0.114 0.000 1.150 404 G CA 1.705 46.634 45.100 -0.285 0.000 0.763 404 G HN 0.834 nan 8.290 nan 0.000 0.561 405 A N 0.855 123.641 122.820 -0.056 0.000 1.858 405 A HA -0.027 4.293 4.320 -0.001 0.000 0.216 405 A C 2.447 180.003 177.584 -0.046 0.000 1.190 405 A CA 1.689 53.748 52.037 0.037 0.000 0.617 405 A CB -0.453 18.566 19.000 0.032 0.000 0.827 405 A HN 0.355 nan 8.150 nan 0.000 0.443 406 R N -0.517 119.932 120.500 -0.085 0.000 2.105 406 R HA -0.129 4.211 4.340 -0.001 0.000 0.239 406 R C 2.430 178.675 176.300 -0.092 0.000 1.135 406 R CA 1.190 57.244 56.100 -0.076 0.000 0.967 406 R CB -0.505 29.757 30.300 -0.063 0.000 0.861 406 R HN 0.537 nan 8.270 nan 0.000 0.442 407 A N 0.710 123.452 122.820 -0.129 0.000 1.902 407 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 407 A C 2.374 179.901 177.584 -0.095 0.000 1.181 407 A CA 1.399 53.397 52.037 -0.065 0.000 0.623 407 A CB -0.476 18.512 19.000 -0.020 0.000 0.818 407 A HN 0.113 nan 8.150 nan 0.000 0.443 408 V N 0.188 119.983 119.914 -0.198 0.000 2.307 408 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 408 V C 2.713 178.568 176.094 -0.398 0.000 1.045 408 V CA 1.962 64.031 62.300 -0.386 0.000 1.024 408 V CB -0.813 30.513 31.823 -0.830 0.000 0.651 408 V HN 0.440 nan 8.190 nan 0.000 0.449 409 R N 0.126 120.422 120.500 -0.341 0.000 2.105 409 R HA -0.165 4.174 4.340 -0.001 0.000 0.239 409 R C 2.281 178.476 176.300 -0.176 0.000 1.135 409 R CA 1.501 57.470 56.100 -0.219 0.000 0.967 409 R CB -0.697 29.539 30.300 -0.106 0.000 0.861 409 R HN 0.657 nan 8.270 nan 0.000 0.442 410 Q N -0.046 119.665 119.800 -0.148 0.000 2.020 410 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 410 Q C 2.230 178.067 176.000 -0.271 0.000 0.982 410 Q CA 1.773 57.481 55.803 -0.158 0.000 0.838 410 Q CB -0.324 28.372 28.738 -0.070 0.000 0.899 410 Q HN 0.351 nan 8.270 nan 0.000 0.423 411 A N 1.179 123.883 122.820 -0.193 0.000 1.903 411 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 411 A C 2.089 179.530 177.584 -0.239 0.000 1.191 411 A CA 1.648 53.570 52.037 -0.191 0.000 0.638 411 A CB -0.915 18.013 19.000 -0.120 0.000 0.823 411 A HN 0.349 nan 8.150 nan 0.000 0.451 412 I N -0.378 120.058 120.570 -0.224 0.000 2.127 412 I HA -0.271 3.899 4.170 -0.001 0.000 0.241 412 I C 2.072 178.065 176.117 -0.206 0.000 1.075 412 I CA 1.695 62.883 61.300 -0.188 0.000 1.334 412 I CB -0.664 37.238 38.000 -0.162 0.000 1.040 412 I HN 0.266 nan 8.210 nan 0.000 0.405 413 D N 1.072 121.329 120.400 -0.239 0.000 2.149 413 D HA -0.210 4.429 4.640 -0.001 0.000 0.194 413 D C 2.181 178.246 176.300 -0.391 0.000 1.001 413 D CA 1.742 55.591 54.000 -0.253 0.000 0.849 413 D CB -0.213 40.455 40.800 -0.219 0.000 0.939 413 D HN 0.406 nan 8.370 nan 0.000 0.449 414 A N 0.955 123.382 122.820 -0.654 0.000 1.835 414 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 414 A C 2.445 179.844 177.584 -0.308 0.000 1.199 414 A CA 1.219 52.831 52.037 -0.708 0.000 0.615 414 A CB -0.904 17.625 19.000 -0.785 0.000 0.838 414 A HN 0.223 nan 8.150 nan 0.000 0.444 415 I N -0.458 119.977 120.570 -0.226 0.000 2.236 415 I HA -0.341 3.828 4.170 -0.001 0.000 0.249 415 I C 2.558 178.615 176.117 -0.101 0.000 1.102 415 I CA 1.410 62.633 61.300 -0.128 0.000 1.365 415 I CB -0.441 37.497 38.000 -0.103 0.000 1.051 415 I HN 0.322 nan 8.210 nan 0.000 0.420 416 M N -0.245 119.288 119.600 -0.113 0.000 2.175 416 M HA -0.169 4.310 4.480 -0.001 0.000 0.264 416 M C 2.011 178.274 176.300 -0.060 0.000 1.063 416 M CA 1.684 56.940 55.300 -0.073 0.000 1.119 416 M CB -0.924 31.636 32.600 -0.067 0.000 1.377 416 M HN 0.340 nan 8.290 nan 0.000 0.415 417 Q N -0.650 119.100 119.800 -0.082 0.000 2.403 417 Q HA 0.207 4.547 4.340 -0.001 0.000 0.203 417 Q C 1.109 177.092 176.000 -0.027 0.000 0.932 417 Q CA 0.429 56.206 55.803 -0.043 0.000 0.945 417 Q CB 0.247 28.967 28.738 -0.030 0.000 1.045 417 Q HN 0.727 nan 8.270 nan 0.000 0.511 418 G N 1.464 110.238 108.800 -0.044 0.000 2.184 418 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.264 418 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.264 418 G C 0.166 175.059 174.900 -0.012 0.000 0.975 418 G CA -0.066 45.020 45.100 -0.025 0.000 0.642 418 G HN 0.353 nan 8.290 nan 0.000 0.536 419 I N 2.166 122.727 120.570 -0.015 0.000 2.396 419 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 419 I C -1.740 174.390 176.117 0.021 0.000 1.056 419 I CA -2.114 59.208 61.300 0.037 0.000 1.365 419 I CB 0.963 39.042 38.000 0.133 0.000 1.407 419 I HN -0.137 nan 8.210 nan 0.000 0.509 420 P HA -0.015 nan 4.420 nan 0.000 0.264 420 P C 0.534 177.893 177.300 0.098 0.000 1.183 420 P CA -0.198 62.929 63.100 0.046 0.000 0.763 420 P CB 0.549 32.274 31.700 0.042 0.000 0.807 421 L N 2.638 123.923 121.223 0.104 0.000 1.989 421 L HA -0.215 4.125 4.340 -0.001 0.000 0.211 421 L C 1.795 178.790 176.870 0.209 0.000 1.071 421 L CA 2.023 56.960 54.840 0.161 0.000 0.749 421 L CB -1.262 40.911 42.059 0.191 0.000 0.890 421 L HN 0.363 nan 8.230 nan 0.000 0.431 422 D N -0.172 120.350 120.400 0.203 0.000 2.190 422 D HA -0.200 4.439 4.640 -0.001 0.000 0.200 422 D C 2.299 178.684 176.300 0.141 0.000 0.992 422 D CA 1.553 55.660 54.000 0.178 0.000 0.854 422 D CB -0.055 40.840 40.800 0.159 0.000 0.936 422 D HN 0.574 nan 8.370 nan 0.000 0.462 423 E N -0.482 119.802 120.200 0.140 0.000 2.299 423 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 423 E C 1.749 178.447 176.600 0.163 0.000 0.998 423 E CA 0.354 56.828 56.400 0.124 0.000 0.851 423 E CB -0.898 28.866 29.700 0.106 0.000 0.795 423 E HN 0.496 nan 8.360 nan 0.000 0.492 424 Y N 0.097 120.446 120.300 0.081 0.000 2.448 424 Y HA 0.378 4.928 4.550 -0.001 0.000 0.289 424 Y C 2.669 178.691 175.900 0.204 0.000 1.114 424 Y CA 0.868 59.037 58.100 0.115 0.000 1.235 424 Y CB 0.078 38.559 38.460 0.035 0.000 1.045 424 Y HN 0.296 nan 8.280 nan 0.000 0.554 425 A N 0.321 123.285 122.820 0.239 0.000 1.969 425 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 425 A C 2.091 179.729 177.584 0.091 0.000 1.169 425 A CA 1.451 53.599 52.037 0.186 0.000 0.635 425 A CB -0.447 18.643 19.000 0.149 0.000 0.810 425 A HN 0.455 nan 8.150 nan 0.000 0.445 426 K N -1.056 119.373 120.400 0.049 0.000 2.228 426 K HA -0.166 4.153 4.320 -0.001 0.000 0.205 426 K C 1.660 178.220 176.600 -0.068 0.000 1.045 426 K CA 1.696 57.981 56.287 -0.004 0.000 0.931 426 K CB -0.230 32.266 32.500 -0.007 0.000 0.727 426 K HN 0.497 nan 8.250 nan 0.000 0.458 427 T N -0.871 113.601 114.554 -0.138 0.000 3.044 427 T HA 0.063 4.413 4.350 -0.001 0.000 0.260 427 T C -0.825 173.528 174.700 -0.578 0.000 1.019 427 T CA -0.421 61.473 62.100 -0.343 0.000 0.921 427 T CB 0.112 68.705 68.868 -0.459 0.000 1.053 427 T HN 0.129 nan 8.240 nan 0.000 0.533 428 H N 0.162 119.166 119.070 -0.111 0.000 2.970 428 H HA 0.539 5.095 4.556 -0.001 0.000 0.315 428 H C 0.992 176.321 175.328 0.002 0.000 0.992 428 H CA -0.190 55.828 56.048 -0.051 0.000 1.363 428 H CB 1.607 31.358 29.762 -0.018 0.000 1.532 428 H HN 0.073 nan 8.280 nan 0.000 0.514 429 K N 2.431 122.876 120.400 0.076 0.000 1.991 429 K HA -0.198 4.121 4.320 -0.001 0.000 0.212 429 K C 1.706 178.374 176.600 0.114 0.000 1.049 429 K CA 2.156 58.483 56.287 0.066 0.000 0.932 429 K CB -0.561 31.960 32.500 0.035 0.000 0.717 429 K HN 0.657 nan 8.250 nan 0.000 0.441 430 E N 0.424 120.695 120.200 0.119 0.000 2.068 430 E HA -0.215 4.134 4.350 -0.001 0.000 0.207 430 E C 2.007 178.749 176.600 0.236 0.000 1.032 430 E CA 1.526 58.008 56.400 0.136 0.000 0.839 430 E CB -0.561 29.133 29.700 -0.009 0.000 0.758 430 E HN 0.409 nan 8.360 nan 0.000 0.457 431 L N 0.519 121.847 121.223 0.175 0.000 2.042 431 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 431 L C 2.064 179.027 176.870 0.155 0.000 1.076 431 L CA 2.302 57.246 54.840 0.173 0.000 0.749 431 L CB -1.073 41.087 42.059 0.169 0.000 0.893 431 L HN 0.145 nan 8.230 nan 0.000 0.432 432 A N -0.176 122.723 122.820 0.131 0.000 1.851 432 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 432 A C 2.416 180.015 177.584 0.024 0.000 1.195 432 A CA 2.062 54.144 52.037 0.076 0.000 0.622 432 A CB -0.629 18.406 19.000 0.058 0.000 0.831 432 A HN 0.527 nan 8.150 nan 0.000 0.444 433 R N -0.522 119.990 120.500 0.020 0.000 2.120 433 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 433 R C 2.437 178.595 176.300 -0.237 0.000 1.123 433 R CA 1.085 57.124 56.100 -0.101 0.000 0.975 433 R CB -0.491 29.754 30.300 -0.092 0.000 0.866 433 R HN 0.541 nan 8.270 nan 0.000 0.446 434 A N 1.452 124.227 122.820 -0.076 0.000 1.858 434 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 434 A C 2.176 179.727 177.584 -0.055 0.000 1.190 434 A CA 1.194 53.194 52.037 -0.061 0.000 0.617 434 A CB -0.609 18.609 19.000 0.362 0.000 0.827 434 A HN 0.182 nan 8.150 nan 0.000 0.443 435 L N -0.676 120.547 121.223 0.000 0.000 2.079 435 L HA -0.234 4.105 4.340 -0.001 0.000 0.210 435 L C 2.664 179.465 176.870 -0.115 0.000 1.081 435 L CA 1.827 56.633 54.840 -0.056 0.000 0.752 435 L CB -0.571 41.459 42.059 -0.049 0.000 0.896 435 L HN 0.645 nan 8.230 nan 0.000 0.433 436 E N 0.817 120.932 120.200 -0.141 0.000 2.085 436 E HA -0.306 4.043 4.350 -0.001 0.000 0.194 436 E C 2.227 178.678 176.600 -0.248 0.000 0.994 436 E CA 1.676 57.978 56.400 -0.163 0.000 0.801 436 E CB 0.081 29.684 29.700 -0.162 0.000 0.743 436 E HN 0.367 nan 8.360 nan 0.000 0.453 437 K N -0.710 119.433 120.400 -0.429 0.000 2.044 437 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 437 K C 1.701 177.971 176.600 -0.550 0.000 1.049 437 K CA 1.393 57.295 56.287 -0.641 0.000 0.945 437 K CB -0.002 31.795 32.500 -1.170 0.000 0.724 437 K HN 0.259 nan 8.250 nan 0.000 0.440 438 W N 0.331 121.476 121.300 -0.259 0.000 2.915 438 W HA 0.273 4.933 4.660 -0.000 0.000 0.276 438 W C 1.254 177.590 176.519 -0.306 0.000 1.215 438 W CA 0.594 57.702 57.345 -0.396 0.000 1.514 438 W CB -0.500 28.455 29.460 -0.841 0.000 1.017 438 W HN 0.468 nan 8.180 nan 0.000 0.598 439 G N 1.716 110.486 108.800 -0.050 0.000 2.591 439 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.298 439 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.298 439 G C 0.269 175.063 174.900 -0.177 0.000 1.195 439 G CA 0.972 46.007 45.100 -0.108 0.000 0.989 439 G HN 0.475 nan 8.290 nan 0.000 0.551 440 H N -0.590 118.614 119.070 0.224 0.000 2.492 440 H HA 0.471 5.027 4.556 -0.001 0.000 0.264 440 H C 0.534 176.003 175.328 0.234 0.000 1.150 440 H CA 0.256 56.459 56.048 0.258 0.000 0.962 440 H CB 0.214 30.053 29.762 0.129 0.000 1.766 440 H HN 0.386 nan 8.280 nan 0.000 0.589 441 V N 2.104 122.222 119.914 0.339 0.000 2.775 441 V HA 0.085 4.205 4.120 -0.001 0.000 0.299 441 V C 0.289 176.551 176.094 0.279 0.000 1.062 441 V CA 0.238 62.686 62.300 0.247 0.000 1.063 441 V CB 1.445 33.370 31.823 0.169 0.000 0.994 441 V HN 0.308 nan 8.190 nan 0.000 0.483 442 T N 8.607 123.256 114.554 0.158 0.000 2.811 442 T HA 0.378 4.727 4.350 -0.001 0.000 0.309 442 T C -2.462 172.294 174.700 0.093 0.000 1.005 442 T CA -0.692 61.472 62.100 0.108 0.000 0.955 442 T CB 0.814 69.720 68.868 0.063 0.000 0.970 442 T HN 0.631 nan 8.240 nan 0.000 0.496 443 P HA 0.293 nan 4.420 nan 0.000 0.266 443 P C -0.614 176.718 177.300 0.054 0.000 1.193 443 P CA -0.143 63.001 63.100 0.072 0.000 0.770 443 P CB 0.601 32.334 31.700 0.055 0.000 0.836 444 V N 0.000 119.944 119.914 0.050 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.325 62.300 0.042 0.000 1.235 444 V CB 0.000 31.847 31.823 0.040 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556