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 1t8y_1_A DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI DGSELTLDRS XSAGLTRYFP TTELXXXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKL PGQANRFYEG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR 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 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.824 176.870 -0.077 0.000 1.165 8 L CA 0.000 54.842 54.840 0.002 0.000 0.813 8 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 9 T N 1.412 115.866 114.554 -0.165 0.000 2.936 9 T HA 0.718 5.068 4.350 -0.001 0.000 0.282 9 T C -2.283 172.181 174.700 -0.392 0.000 1.003 9 T CA -1.596 60.218 62.100 -0.476 0.000 1.005 9 T CB 1.843 70.507 68.868 -0.341 0.000 1.097 9 T HN 0.476 nan 8.240 nan 0.000 0.532 10 P HA -0.142 nan 4.420 nan 0.000 0.208 10 P C 1.780 178.991 177.300 -0.150 0.000 1.180 10 P CA 2.241 65.181 63.100 -0.265 0.000 0.935 10 P CB -0.500 31.060 31.700 -0.234 0.000 0.785 11 A N -0.700 122.048 122.820 -0.120 0.000 1.927 11 A HA -0.348 3.972 4.320 -0.001 0.000 0.220 11 A C 2.243 179.796 177.584 -0.052 0.000 1.185 11 A CA 2.284 54.282 52.037 -0.065 0.000 0.639 11 A CB -1.568 17.406 19.000 -0.044 0.000 0.820 11 A HN 0.301 nan 8.150 nan 0.000 0.451 12 Q N -0.913 118.847 119.800 -0.066 0.000 2.050 12 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 12 Q C 2.518 178.498 176.000 -0.033 0.000 0.980 12 Q CA 1.357 57.136 55.803 -0.040 0.000 0.840 12 Q CB -0.428 28.285 28.738 -0.041 0.000 0.898 12 Q HN 0.695 nan 8.270 nan 0.000 0.424 13 A N 1.203 123.990 122.820 -0.056 0.000 1.883 13 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 13 A C 2.129 179.709 177.584 -0.007 0.000 1.186 13 A CA 1.312 53.330 52.037 -0.033 0.000 0.624 13 A CB -0.841 18.129 19.000 -0.049 0.000 0.822 13 A HN 0.294 nan 8.150 nan 0.000 0.444 14 L N -0.502 120.711 121.223 -0.017 0.000 2.042 14 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 14 L C 2.138 179.019 176.870 0.019 0.000 1.076 14 L CA 1.583 56.423 54.840 0.001 0.000 0.749 14 L CB -0.668 41.385 42.059 -0.011 0.000 0.893 14 L HN 0.361 nan 8.230 nan 0.000 0.432 15 D N -0.104 120.304 120.400 0.013 0.000 2.117 15 D HA -0.191 4.449 4.640 -0.001 0.000 0.198 15 D C 2.104 178.427 176.300 0.039 0.000 0.982 15 D CA 1.113 55.128 54.000 0.025 0.000 0.828 15 D CB -0.023 40.787 40.800 0.017 0.000 0.967 15 D HN 0.246 nan 8.370 nan 0.000 0.464 16 K N 0.557 120.976 120.400 0.033 0.000 2.148 16 K HA -0.057 4.263 4.320 -0.001 0.000 0.204 16 K C 2.257 178.897 176.600 0.067 0.000 1.050 16 K CA 0.438 56.751 56.287 0.044 0.000 0.942 16 K CB 0.003 32.523 32.500 0.033 0.000 0.724 16 K HN 0.065 nan 8.250 nan 0.000 0.446 17 L N 0.815 122.078 121.223 0.065 0.000 1.988 17 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 17 L C 2.192 179.138 176.870 0.127 0.000 1.071 17 L CA 1.350 56.244 54.840 0.089 0.000 0.744 17 L CB -0.574 41.522 42.059 0.062 0.000 0.893 17 L HN 0.276 nan 8.230 nan 0.000 0.433 18 D N 0.129 120.591 120.400 0.103 0.000 2.126 18 D HA -0.255 4.384 4.640 -0.001 0.000 0.190 18 D C 2.062 178.456 176.300 0.156 0.000 1.001 18 D CA 1.854 55.934 54.000 0.133 0.000 0.841 18 D CB 0.036 40.889 40.800 0.088 0.000 0.949 18 D HN 0.366 nan 8.370 nan 0.000 0.446 19 A N 1.164 124.048 122.820 0.108 0.000 1.834 19 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 19 A C 2.539 180.186 177.584 0.105 0.000 1.203 19 A CA 1.300 53.391 52.037 0.089 0.000 0.621 19 A CB -1.150 17.888 19.000 0.064 0.000 0.841 19 A HN 0.243 nan 8.150 nan 0.000 0.446 20 L N -2.057 119.234 121.223 0.114 0.000 2.051 20 L HA -0.285 4.055 4.340 -0.001 0.000 0.214 20 L C 2.603 179.570 176.870 0.160 0.000 1.076 20 L CA 2.234 57.147 54.840 0.121 0.000 0.758 20 L CB -0.586 41.549 42.059 0.126 0.000 0.890 20 L HN 0.655 nan 8.230 nan 0.000 0.433 21 Y N 0.944 121.285 120.300 0.068 0.000 2.070 21 Y HA -0.272 4.278 4.550 -0.001 0.000 0.279 21 Y C 2.667 178.595 175.900 0.047 0.000 1.134 21 Y CA 1.785 59.926 58.100 0.068 0.000 1.113 21 Y CB -0.305 38.208 38.460 0.088 0.000 0.981 21 Y HN 0.154 nan 8.280 nan 0.000 0.487 22 E N 0.414 120.624 120.200 0.016 0.000 2.086 22 E HA -0.342 4.007 4.350 -0.001 0.000 0.200 22 E C 2.158 178.701 176.600 -0.094 0.000 1.012 22 E CA 1.771 58.119 56.400 -0.087 0.000 0.812 22 E CB -0.705 29.011 29.700 0.026 0.000 0.743 22 E HN 0.674 nan 8.360 nan 0.000 0.453 23 Q N 0.418 120.205 119.800 -0.022 0.000 2.045 23 Q HA -0.154 4.186 4.340 -0.001 0.000 0.206 23 Q C 2.380 178.372 176.000 -0.012 0.000 0.991 23 Q CA 2.011 57.811 55.803 -0.004 0.000 0.851 23 Q CB 0.011 28.764 28.738 0.026 0.000 0.911 23 Q HN 0.153 nan 8.270 nan 0.000 0.418 24 S N -0.137 115.547 115.700 -0.028 0.000 2.356 24 S HA -0.145 4.325 4.470 -0.001 0.000 0.223 24 S C 1.894 176.459 174.600 -0.057 0.000 1.032 24 S CA 1.190 59.392 58.200 0.003 0.000 1.005 24 S CB -0.465 62.732 63.200 -0.004 0.000 0.867 24 S HN 0.459 nan 8.310 nan 0.000 0.449 25 V N 1.871 121.634 119.914 -0.251 0.000 2.343 25 V HA -0.128 3.992 4.120 -0.001 0.000 0.247 25 V C 2.007 178.016 176.094 -0.141 0.000 1.051 25 V CA 1.875 64.013 62.300 -0.269 0.000 1.036 25 V CB -0.589 30.955 31.823 -0.466 0.000 0.654 25 V HN 0.364 nan 8.190 nan 0.000 0.451 26 V N 0.902 120.753 119.914 -0.105 0.000 2.343 26 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 26 V C 2.994 179.091 176.094 0.005 0.000 1.051 26 V CA 2.179 64.450 62.300 -0.048 0.000 1.036 26 V CB -1.391 30.413 31.823 -0.032 0.000 0.654 26 V HN 0.698 nan 8.190 nan 0.000 0.451 27 A N -0.748 122.107 122.820 0.058 0.000 1.933 27 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 27 A C 2.274 180.017 177.584 0.264 0.000 1.175 27 A CA 1.837 53.977 52.037 0.172 0.000 0.628 27 A CB -0.446 18.684 19.000 0.216 0.000 0.814 27 A HN 0.486 nan 8.150 nan 0.000 0.444 28 L N -1.280 119.996 121.223 0.088 0.000 2.044 28 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 28 L C 2.823 179.561 176.870 -0.220 0.000 1.075 28 L CA 1.150 55.808 54.840 -0.303 0.000 0.747 28 L CB -0.336 41.448 42.059 -0.459 0.000 0.903 28 L HN 0.380 nan 8.230 nan 0.000 0.435 29 R N -0.233 120.186 120.500 -0.136 0.000 2.083 29 R HA -0.243 4.096 4.340 -0.001 0.000 0.237 29 R C 2.025 178.275 176.300 -0.084 0.000 1.137 29 R CA 2.045 58.073 56.100 -0.121 0.000 0.951 29 R CB -0.410 29.841 30.300 -0.082 0.000 0.851 29 R HN 0.391 nan 8.270 nan 0.000 0.434 30 N N 0.255 118.942 118.700 -0.021 0.000 2.043 30 N HA -0.176 4.564 4.740 -0.001 0.000 0.193 30 N C 1.643 177.180 175.510 0.045 0.000 1.037 30 N CA 1.871 54.932 53.050 0.019 0.000 0.851 30 N CB -0.230 38.290 38.487 0.056 0.000 1.027 30 N HN 0.248 nan 8.380 nan 0.000 0.422 31 A N 0.564 123.450 122.820 0.111 0.000 1.917 31 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 31 A C 2.303 179.934 177.584 0.078 0.000 1.182 31 A CA 1.468 53.641 52.037 0.226 0.000 0.633 31 A CB -0.934 18.361 19.000 0.492 0.000 0.819 31 A HN 0.426 nan 8.150 nan 0.000 0.448 32 I N -0.615 119.815 120.570 -0.235 0.000 2.226 32 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 32 I C 2.715 178.730 176.117 -0.170 0.000 1.100 32 I CA 1.100 62.113 61.300 -0.479 0.000 1.374 32 I CB -0.734 36.931 38.000 -0.559 0.000 1.057 32 I HN 0.413 nan 8.210 nan 0.000 0.413 33 G N 0.962 109.705 108.800 -0.094 0.000 2.433 33 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.216 33 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.216 33 G C 1.334 176.237 174.900 0.006 0.000 1.186 33 G CA 0.883 45.957 45.100 -0.043 0.000 0.779 33 G HN 0.305 nan 8.290 nan 0.000 0.543 34 N N -0.467 118.258 118.700 0.041 0.000 2.184 34 N HA -0.168 4.571 4.740 -0.001 0.000 0.190 34 N C 1.664 177.228 175.510 0.089 0.000 1.011 34 N CA 1.296 54.384 53.050 0.065 0.000 0.867 34 N CB -0.403 38.144 38.487 0.100 0.000 0.993 34 N HN 0.565 nan 8.380 nan 0.000 0.433 35 Y N 0.751 121.071 120.300 0.033 0.000 2.206 35 Y HA 0.115 4.665 4.550 -0.001 0.000 0.292 35 Y C 1.970 177.871 175.900 0.002 0.000 1.123 35 Y CA 1.006 59.145 58.100 0.066 0.000 1.142 35 Y CB -0.183 38.393 38.460 0.193 0.000 1.006 35 Y HN -0.040 nan 8.280 nan 0.000 0.518 36 I N 0.137 120.730 120.570 0.037 0.000 2.208 36 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 36 I C 2.471 178.522 176.117 -0.110 0.000 1.097 36 I CA 2.016 63.286 61.300 -0.049 0.000 1.363 36 I CB -0.832 37.157 38.000 -0.019 0.000 1.051 36 I HN 0.418 nan 8.210 nan 0.000 0.413 37 T N -1.924 112.583 114.554 -0.078 0.000 2.770 37 T HA -0.094 4.256 4.350 -0.001 0.000 0.258 37 T C 1.862 176.505 174.700 -0.094 0.000 1.039 37 T CA 1.383 63.440 62.100 -0.072 0.000 1.143 37 T CB -0.486 68.356 68.868 -0.043 0.000 0.866 37 T HN 0.424 nan 8.240 nan 0.000 0.428 38 S N -0.083 115.557 115.700 -0.101 0.000 2.506 38 S HA 0.508 4.978 4.470 -0.001 0.000 0.219 38 S C 1.819 176.316 174.600 -0.171 0.000 1.031 38 S CA 0.445 58.582 58.200 -0.105 0.000 0.911 38 S CB 0.010 63.174 63.200 -0.060 0.000 0.812 38 S HN 1.455 nan 8.310 nan 0.000 0.497 39 G N 1.418 110.046 108.800 -0.286 0.000 2.130 39 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.216 39 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.216 39 G C -0.279 174.493 174.900 -0.213 0.000 0.999 39 G CA 0.117 44.926 45.100 -0.485 0.000 0.686 39 G HN 0.725 nan 8.290 nan 0.000 0.515 40 E N -0.077 120.093 120.200 -0.049 0.000 2.354 40 E HA 0.534 4.884 4.350 -0.001 0.000 0.269 40 E C -0.152 176.569 176.600 0.202 0.000 1.036 40 E CA -0.651 55.781 56.400 0.054 0.000 0.876 40 E CB 0.429 30.158 29.700 0.049 0.000 1.009 40 E HN 0.125 nan 8.360 nan 0.000 0.416 41 L N 5.121 126.398 121.223 0.090 0.000 2.334 41 L HA 0.456 4.795 4.340 -0.001 0.000 0.272 41 L C -2.112 174.776 176.870 0.029 0.000 1.020 41 L CA -1.947 52.909 54.840 0.027 0.000 0.812 41 L CB 0.991 42.949 42.059 -0.169 0.000 1.264 41 L HN 0.583 nan 8.230 nan 0.000 0.439 42 P HA 0.171 nan 4.420 nan 0.000 0.274 42 P C -1.380 175.905 177.300 -0.025 0.000 1.231 42 P CA -0.525 62.612 63.100 0.062 0.000 0.790 42 P CB 0.354 32.159 31.700 0.175 0.000 0.951 43 D N 2.209 122.584 120.400 -0.041 0.000 2.316 43 D HA -0.009 4.631 4.640 -0.001 0.000 0.245 43 D C 0.539 176.792 176.300 -0.078 0.000 1.171 43 D CA -0.307 53.660 54.000 -0.054 0.000 0.856 43 D CB 0.929 41.702 40.800 -0.045 0.000 1.090 43 D HN 0.201 nan 8.370 nan 0.000 0.476 44 E N 2.825 122.988 120.200 -0.062 0.000 2.253 44 E HA -0.274 4.076 4.350 -0.001 0.000 0.202 44 E C 1.320 177.877 176.600 -0.071 0.000 1.014 44 E CA 1.072 57.435 56.400 -0.061 0.000 0.823 44 E CB -0.238 29.440 29.700 -0.036 0.000 0.736 44 E HN 0.658 nan 8.360 nan 0.000 0.478 45 N N 0.504 119.165 118.700 -0.065 0.000 2.106 45 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 45 N C 1.658 177.117 175.510 -0.084 0.000 1.029 45 N CA 1.794 54.807 53.050 -0.061 0.000 0.848 45 N CB -0.219 38.240 38.487 -0.047 0.000 1.007 45 N HN 0.138 nan 8.380 nan 0.000 0.423 46 A N 0.506 123.263 122.820 -0.107 0.000 1.972 46 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 46 A C 2.182 179.642 177.584 -0.207 0.000 1.169 46 A CA 1.066 53.020 52.037 -0.138 0.000 0.635 46 A CB -0.415 18.498 19.000 -0.145 0.000 0.810 46 A HN 0.330 nan 8.150 nan 0.000 0.446 47 R N -0.334 120.017 120.500 -0.249 0.000 2.062 47 R HA -0.072 4.268 4.340 -0.001 0.000 0.231 47 R C 1.976 178.185 176.300 -0.152 0.000 1.136 47 R CA 1.310 57.233 56.100 -0.295 0.000 0.948 47 R CB -0.285 29.871 30.300 -0.241 0.000 0.845 47 R HN 0.250 nan 8.270 nan 0.000 0.430 48 K N 0.800 121.139 120.400 -0.101 0.000 2.160 48 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 48 K C 1.980 178.544 176.600 -0.060 0.000 1.047 48 K CA 1.301 57.549 56.287 -0.064 0.000 0.930 48 K CB -0.168 32.302 32.500 -0.050 0.000 0.720 48 K HN 0.101 nan 8.250 nan 0.000 0.450 49 Q N -0.049 119.707 119.800 -0.073 0.000 2.436 49 Q HA -0.021 4.319 4.340 -0.001 0.000 0.209 49 Q C 0.338 176.307 176.000 -0.051 0.000 0.965 49 Q CA 1.041 56.810 55.803 -0.057 0.000 0.910 49 Q CB 0.120 28.823 28.738 -0.059 0.000 0.980 49 Q HN 0.474 nan 8.270 nan 0.000 0.491 50 G N -0.366 108.393 108.800 -0.069 0.000 2.226 50 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.176 50 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.176 50 G C 0.298 175.161 174.900 -0.062 0.000 1.042 50 G CA 0.209 45.285 45.100 -0.040 0.000 0.732 50 G HN 0.348 nan 8.290 nan 0.000 0.494 51 L N -0.896 120.218 121.223 -0.181 0.000 1.994 51 L HA 0.187 4.526 4.340 -0.001 0.000 0.208 51 L C 2.318 179.126 176.870 -0.102 0.000 1.071 51 L CA 1.897 56.568 54.840 -0.282 0.000 0.745 51 L CB -0.108 41.547 42.059 -0.673 0.000 0.892 51 L HN 0.456 nan 8.230 nan 0.000 0.431 52 F N -1.631 118.328 119.950 0.016 0.000 2.695 52 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 52 F C 0.963 176.747 175.800 -0.026 0.000 1.091 52 F CA -0.947 57.052 58.000 -0.002 0.000 1.300 52 F CB 0.432 39.455 39.000 0.039 0.000 1.071 52 F HN -0.225 nan 8.300 nan 0.000 0.578 53 V N 0.980 120.992 119.914 0.163 0.000 2.999 53 V HA -0.159 3.960 4.120 -0.001 0.000 0.307 53 V C 0.087 176.280 176.094 0.165 0.000 1.084 53 V CA -0.122 62.276 62.300 0.162 0.000 1.155 53 V CB 0.129 32.030 31.823 0.130 0.000 0.975 53 V HN 0.063 nan 8.190 nan 0.000 0.490 54 Y N 4.193 124.613 120.300 0.201 0.000 2.300 54 Y HA 0.321 4.871 4.550 -0.001 0.000 0.328 54 Y C -1.711 174.294 175.900 0.175 0.000 1.270 54 Y CA -1.920 56.316 58.100 0.226 0.000 1.352 54 Y CB 0.244 38.823 38.460 0.198 0.000 1.286 54 Y HN 0.472 nan 8.280 nan 0.000 0.536 55 P HA 0.088 nan 4.420 nan 0.000 0.273 55 P C -1.051 176.355 177.300 0.176 0.000 1.250 55 P CA -0.377 62.853 63.100 0.217 0.000 0.793 55 P CB 0.793 32.608 31.700 0.190 0.000 1.011 56 S N 0.974 116.745 115.700 0.118 0.000 2.707 56 S HA 0.490 4.960 4.470 -0.001 0.000 0.303 56 S C -1.234 173.402 174.600 0.060 0.000 1.132 56 S CA -0.630 57.622 58.200 0.085 0.000 1.046 56 S CB -0.267 62.982 63.200 0.080 0.000 1.004 56 S HN 0.285 nan 8.310 nan 0.000 0.483 57 L N 5.792 127.045 121.223 0.049 0.000 2.264 57 L HA 0.703 5.043 4.340 -0.001 0.000 0.289 57 L C -0.443 176.445 176.870 0.031 0.000 1.044 57 L CA 0.605 55.474 54.840 0.049 0.000 0.807 57 L CB 1.063 43.170 42.059 0.080 0.000 1.192 57 L HN 0.651 nan 8.230 nan 0.000 0.425 58 T N 4.468 119.044 114.554 0.037 0.000 2.861 58 T HA 0.720 5.070 4.350 -0.001 0.000 0.287 58 T C -0.913 173.833 174.700 0.076 0.000 1.003 58 T CA -0.491 61.640 62.100 0.053 0.000 0.977 58 T CB 1.781 70.685 68.868 0.059 0.000 0.996 58 T HN 0.358 nan 8.240 nan 0.000 0.448 59 V N 2.739 122.735 119.914 0.137 0.000 2.709 59 V HA 0.676 4.795 4.120 -0.001 0.000 0.308 59 V C -0.185 176.086 176.094 0.296 0.000 1.062 59 V CA -0.685 61.735 62.300 0.200 0.000 0.901 59 V CB 2.313 34.265 31.823 0.214 0.000 1.003 59 V HN 1.029 nan 8.190 nan 0.000 0.425 60 T N 3.073 117.790 114.554 0.273 0.000 2.908 60 T HA 0.592 4.942 4.350 -0.001 0.000 0.290 60 T C -1.682 173.134 174.700 0.194 0.000 1.034 60 T CA -0.436 61.819 62.100 0.258 0.000 1.010 60 T CB 1.938 70.954 68.868 0.247 0.000 1.068 60 T HN 0.674 nan 8.240 nan 0.000 0.481 61 W N 3.701 124.892 121.300 -0.182 0.000 2.900 61 W HA 0.358 5.018 4.660 -0.000 0.000 0.336 61 W C 0.403 176.831 176.519 -0.151 0.000 1.064 61 W CA -1.428 55.719 57.345 -0.331 0.000 1.237 61 W CB 1.235 30.112 29.460 -0.971 0.000 1.391 61 W HN 0.786 nan 8.180 nan 0.000 0.468 62 D N 2.594 122.761 120.400 -0.389 0.000 2.350 62 D HA 0.019 4.658 4.640 -0.001 0.000 0.216 62 D C 1.470 177.343 176.300 -0.711 0.000 0.968 62 D CA 1.054 54.804 54.000 -0.416 0.000 0.894 62 D CB -0.211 40.414 40.800 -0.292 0.000 0.909 62 D HN 0.910 nan 8.370 nan 0.000 0.520 63 G N 0.584 108.421 108.800 -1.605 0.000 2.149 63 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.235 63 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.235 63 G C 0.086 174.267 174.900 -1.199 0.000 1.018 63 G CA 0.359 44.336 45.100 -1.871 0.000 0.728 63 G HN 0.928 nan 8.290 nan 0.000 0.508 64 S N -0.833 114.306 115.700 -0.936 0.000 2.721 64 S HA 0.734 5.204 4.470 -0.001 0.000 0.264 64 S C -0.604 173.961 174.600 -0.058 0.000 1.161 64 S CA 0.117 58.124 58.200 -0.321 0.000 1.113 64 S CB 2.227 65.289 63.200 -0.230 0.000 1.079 64 S HN 0.702 nan 8.310 nan 0.000 0.479 65 T N 2.262 116.905 114.554 0.147 0.000 2.893 65 T HA 0.474 4.824 4.350 -0.001 0.000 0.293 65 T C 1.515 176.271 174.700 0.093 0.000 1.027 65 T CA -0.383 61.823 62.100 0.177 0.000 0.988 65 T CB 1.891 70.931 68.868 0.287 0.000 1.043 65 T HN 0.714 nan 8.240 nan 0.000 0.461 66 T N 0.114 114.690 114.554 0.036 0.000 2.674 66 T HA -0.116 4.233 4.350 -0.001 0.000 0.265 66 T C 0.891 175.595 174.700 0.007 0.000 1.039 66 T CA 1.057 63.166 62.100 0.015 0.000 1.150 66 T CB -0.261 68.606 68.868 -0.001 0.000 0.864 66 T HN 0.685 nan 8.240 nan 0.000 0.427 67 N N 1.564 120.251 118.700 -0.021 0.000 2.886 67 N HA 0.331 5.071 4.740 -0.001 0.000 0.285 67 N C -3.498 171.953 175.510 -0.097 0.000 1.706 67 N CA -1.682 51.343 53.050 -0.042 0.000 0.904 67 N CB 0.712 39.172 38.487 -0.047 0.000 1.224 67 N HN 0.201 nan 8.380 nan 0.000 0.488 68 P HA 0.238 nan 4.420 nan 0.000 0.267 68 P C -2.431 174.779 177.300 -0.150 0.000 1.209 68 P CA -0.560 62.425 63.100 -0.193 0.000 0.763 68 P CB 0.089 31.817 31.700 0.046 0.000 0.816 69 P HA 0.019 nan 4.420 nan 0.000 0.262 69 P C 0.444 177.719 177.300 -0.041 0.000 1.199 69 P CA 0.382 63.411 63.100 -0.118 0.000 0.763 69 P CB 0.410 32.032 31.700 -0.130 0.000 0.790 70 K N 1.366 121.742 120.400 -0.039 0.000 2.402 70 K HA 0.150 4.470 4.320 -0.001 0.000 0.204 70 K C 0.968 177.543 176.600 -0.041 0.000 1.056 70 K CA 0.391 56.666 56.287 -0.019 0.000 1.069 70 K CB 0.373 32.873 32.500 -0.000 0.000 0.888 70 K HN 0.288 nan 8.250 nan 0.000 0.546 71 T N 0.229 114.745 114.554 -0.062 0.000 3.000 71 T HA 0.104 4.454 4.350 -0.001 0.000 0.248 71 T C 0.853 175.489 174.700 -0.108 0.000 1.034 71 T CA -0.113 61.945 62.100 -0.071 0.000 1.060 71 T CB 0.598 69.429 68.868 -0.061 0.000 0.983 71 T HN 0.097 nan 8.240 nan 0.000 0.482 72 R N 1.091 121.500 120.500 -0.152 0.000 2.679 72 R HA 0.287 4.627 4.340 -0.001 0.000 0.268 72 R C 1.316 177.462 176.300 -0.256 0.000 1.044 72 R CA 0.301 56.240 56.100 -0.268 0.000 1.105 72 R CB 0.321 30.413 30.300 -0.347 0.000 0.989 72 R HN 0.206 nan 8.270 nan 0.000 0.447 73 A N 4.853 127.484 122.820 -0.315 0.000 1.970 73 A HA 0.059 4.378 4.320 -0.001 0.000 0.216 73 A C 0.215 177.776 177.584 -0.038 0.000 1.170 73 A CA 0.763 52.731 52.037 -0.114 0.000 0.645 73 A CB -0.187 18.855 19.000 0.069 0.000 0.816 73 A HN 0.651 nan 8.150 nan 0.000 0.447 74 F N -4.624 115.296 119.950 -0.049 0.000 2.691 74 F HA 0.668 5.195 4.527 -0.001 0.000 0.334 74 F C 0.840 176.559 175.800 -0.135 0.000 1.107 74 F CA -1.394 56.557 58.000 -0.081 0.000 0.991 74 F CB 0.454 39.416 39.000 -0.064 0.000 1.400 74 F HN 0.427 nan 8.300 nan 0.000 0.503 75 G N 1.417 110.309 108.800 0.154 0.000 2.295 75 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.287 75 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.287 75 G C -0.257 174.452 174.900 -0.317 0.000 1.055 75 G CA 0.115 45.176 45.100 -0.065 0.000 0.922 75 G HN 0.772 nan 8.290 nan 0.000 0.503 76 R N -1.739 118.478 120.500 -0.472 0.000 2.939 76 R HA 0.771 5.111 4.340 -0.001 0.000 0.254 76 R C -1.123 174.545 176.300 -1.054 0.000 1.123 76 R CA -0.903 54.848 56.100 -0.582 0.000 1.020 76 R CB 1.093 31.257 30.300 -0.227 0.000 1.206 76 R HN 0.078 nan 8.270 nan 0.000 0.491 77 F N -0.463 118.956 119.950 -0.883 0.000 2.477 77 F HA 0.282 4.809 4.527 -0.000 0.000 0.335 77 F C 1.195 176.761 175.800 -0.391 0.000 1.130 77 F CA -0.452 57.021 58.000 -0.878 0.000 0.948 77 F CB 2.276 40.378 39.000 -1.497 0.000 1.154 77 F HN 0.450 nan 8.300 nan 0.000 0.439 78 T N 0.904 115.421 114.554 -0.061 0.000 2.809 78 T HA -0.041 4.309 4.350 -0.001 0.000 0.260 78 T C 0.061 174.916 174.700 0.258 0.000 1.039 78 T CA 1.476 63.626 62.100 0.084 0.000 1.141 78 T CB -0.225 68.718 68.868 0.126 0.000 0.869 78 T HN 0.717 nan 8.240 nan 0.000 0.437 79 H N -1.174 118.144 119.070 0.414 0.000 2.960 79 H HA 0.811 5.366 4.556 -0.001 0.000 0.303 79 H C -0.860 174.817 175.328 0.581 0.000 1.412 79 H CA -1.190 55.110 56.048 0.419 0.000 1.227 79 H CB 0.757 30.672 29.762 0.255 0.000 1.912 79 H HN 0.058 nan 8.280 nan 0.000 0.583 80 A N -0.185 122.971 122.820 0.560 0.000 2.303 80 A HA 0.827 5.147 4.320 -0.001 0.000 0.317 80 A C 0.551 178.345 177.584 0.350 0.000 1.149 80 A CA 0.106 52.360 52.037 0.362 0.000 0.822 80 A CB 0.123 19.080 19.000 -0.071 0.000 1.131 80 A HN 1.562 nan 8.150 nan 0.000 0.493 81 G N -0.490 108.459 108.800 0.248 0.000 2.350 81 G HA2 0.417 4.377 3.960 -0.001 0.000 0.276 81 G HA3 0.417 4.377 3.960 -0.001 0.000 0.276 81 G C -0.853 174.120 174.900 0.121 0.000 1.313 81 G CA -0.152 45.016 45.100 0.113 0.000 0.903 81 G HN 1.164 nan 8.290 nan 0.000 0.490 82 S N -0.146 115.566 115.700 0.019 0.000 2.437 82 S HA 0.711 5.181 4.470 -0.001 0.000 0.305 82 S C -1.486 173.090 174.600 -0.041 0.000 1.109 82 S CA -0.271 57.996 58.200 0.112 0.000 1.099 82 S CB 0.985 64.287 63.200 0.171 0.000 1.004 82 S HN 0.460 nan 8.310 nan 0.000 0.475 83 Y N 1.138 121.511 120.300 0.121 0.000 2.341 83 Y HA 0.629 5.178 4.550 -0.001 0.000 0.338 83 Y C 0.722 176.606 175.900 -0.027 0.000 0.965 83 Y CA -0.586 57.542 58.100 0.047 0.000 1.108 83 Y CB 1.890 40.359 38.460 0.016 0.000 1.180 83 Y HN 0.555 nan 8.280 nan 0.000 0.458 84 T N 1.004 115.593 114.554 0.058 0.000 2.864 84 T HA 0.808 5.157 4.350 -0.001 0.000 0.289 84 T C -1.110 173.557 174.700 -0.056 0.000 1.082 84 T CA -0.382 61.716 62.100 -0.004 0.000 1.009 84 T CB 1.895 70.759 68.868 -0.007 0.000 1.234 84 T HN 0.694 nan 8.240 nan 0.000 0.526 85 T N 0.727 115.249 114.554 -0.053 0.000 2.927 85 T HA 0.470 4.820 4.350 -0.001 0.000 0.350 85 T C -0.968 173.705 174.700 -0.045 0.000 1.746 85 T CA -0.218 61.839 62.100 -0.072 0.000 1.081 85 T CB 0.718 69.520 68.868 -0.109 0.000 1.551 85 T HN 1.007 nan 8.240 nan 0.000 0.489 86 T N 2.441 116.948 114.554 -0.077 0.000 2.904 86 T HA 0.745 5.094 4.350 -0.001 0.000 0.290 86 T C 0.016 174.647 174.700 -0.115 0.000 1.018 86 T CA -0.798 61.261 62.100 -0.069 0.000 1.075 86 T CB 0.510 69.285 68.868 -0.154 0.000 0.986 86 T HN 0.488 nan 8.240 nan 0.000 0.523 87 I N 0.925 121.465 120.570 -0.049 0.000 2.740 87 I HA 0.629 4.799 4.170 -0.001 0.000 0.303 87 I C 0.339 176.427 176.117 -0.048 0.000 1.044 87 I CA -0.507 60.749 61.300 -0.073 0.000 1.064 87 I CB 2.059 40.053 38.000 -0.010 0.000 1.249 87 I HN 0.907 nan 8.210 nan 0.000 0.433 88 T N 3.816 118.270 114.554 -0.166 0.000 2.864 88 T HA 0.392 4.741 4.350 -0.001 0.000 0.299 88 T C -0.668 173.806 174.700 -0.377 0.000 1.166 88 T CA -0.510 61.442 62.100 -0.247 0.000 1.007 88 T CB 0.994 69.883 68.868 0.035 0.000 1.219 88 T HN 0.610 nan 8.240 nan 0.000 0.506 89 R N 0.886 120.947 120.500 -0.732 0.000 3.109 89 R HA -0.139 4.201 4.340 -0.001 0.000 0.241 89 R C -2.311 173.945 176.300 -0.073 0.000 0.882 89 R CA 0.474 56.410 56.100 -0.273 0.000 0.604 89 R CB -2.105 28.224 30.300 0.048 0.000 1.040 89 R HN 0.572 nan 8.270 nan 0.000 0.480 90 P HA -0.128 nan 4.420 nan 0.000 0.216 90 P C 1.304 178.630 177.300 0.045 0.000 1.150 90 P CA 1.232 64.325 63.100 -0.012 0.000 0.837 90 P CB 0.162 31.846 31.700 -0.026 0.000 0.786 91 T N 0.115 114.683 114.554 0.023 0.000 2.674 91 T HA -0.165 4.185 4.350 -0.001 0.000 0.265 91 T C 1.673 176.354 174.700 -0.032 0.000 1.039 91 T CA 1.200 63.309 62.100 0.015 0.000 1.150 91 T CB -1.038 67.846 68.868 0.027 0.000 0.864 91 T HN 0.017 nan 8.240 nan 0.000 0.427 92 L N 0.468 121.636 121.223 -0.091 0.000 2.042 92 L HA 0.007 4.346 4.340 -0.001 0.000 0.210 92 L C 1.460 178.104 176.870 -0.377 0.000 1.076 92 L CA 1.815 56.490 54.840 -0.276 0.000 0.749 92 L CB -0.740 41.060 42.059 -0.431 0.000 0.893 92 L HN 0.223 nan 8.230 nan 0.000 0.432 93 F N -0.861 119.062 119.950 -0.045 0.000 2.732 93 F HA 0.172 4.698 4.527 -0.000 0.000 0.303 93 F C 2.150 177.963 175.800 0.021 0.000 1.110 93 F CA 0.221 58.220 58.000 -0.002 0.000 1.355 93 F CB -0.428 38.576 39.000 0.007 0.000 1.081 93 F HN 0.082 nan 8.300 nan 0.000 0.565 94 R N 0.992 121.550 120.500 0.098 0.000 2.115 94 R HA -0.208 4.131 4.340 -0.001 0.000 0.239 94 R C 2.021 178.340 176.300 0.032 0.000 1.133 94 R CA 2.503 58.633 56.100 0.051 0.000 0.935 94 R CB -1.019 29.293 30.300 0.019 0.000 0.853 94 R HN 0.143 nan 8.270 nan 0.000 0.433 95 S N -0.244 115.474 115.700 0.031 0.000 2.365 95 S HA -0.250 4.220 4.470 -0.001 0.000 0.221 95 S C 1.734 176.341 174.600 0.012 0.000 1.037 95 S CA 1.526 59.737 58.200 0.018 0.000 1.060 95 S CB -1.024 62.192 63.200 0.026 0.000 0.974 95 S HN 0.538 nan 8.310 nan 0.000 0.427 96 Y N 2.370 122.636 120.300 -0.056 0.000 2.081 96 Y HA -0.170 4.380 4.550 -0.000 0.000 0.280 96 Y C 2.109 177.889 175.900 -0.200 0.000 1.163 96 Y CA 1.435 59.476 58.100 -0.099 0.000 1.135 96 Y CB -0.657 37.810 38.460 0.013 0.000 0.970 96 Y HN 0.129 nan 8.280 nan 0.000 0.498 97 L N 0.235 121.380 121.223 -0.130 0.000 2.079 97 L HA -0.280 4.060 4.340 -0.001 0.000 0.210 97 L C 2.343 179.001 176.870 -0.354 0.000 1.081 97 L CA 1.827 56.474 54.840 -0.321 0.000 0.752 97 L CB -0.692 41.339 42.059 -0.047 0.000 0.896 97 L HN 0.356 nan 8.230 nan 0.000 0.433 98 N N 0.168 118.744 118.700 -0.206 0.000 2.051 98 N HA -0.254 4.486 4.740 -0.001 0.000 0.192 98 N C 1.821 177.206 175.510 -0.209 0.000 1.049 98 N CA 1.639 54.591 53.050 -0.164 0.000 0.845 98 N CB -0.162 38.271 38.487 -0.089 0.000 1.031 98 N HN 0.229 nan 8.380 nan 0.000 0.425 99 E N -0.509 119.561 120.200 -0.217 0.000 2.136 99 E HA -0.308 4.041 4.350 -0.001 0.000 0.202 99 E C 1.501 177.932 176.600 -0.281 0.000 1.019 99 E CA 1.414 57.691 56.400 -0.206 0.000 0.819 99 E CB -0.014 29.565 29.700 -0.203 0.000 0.739 99 E HN 0.465 nan 8.360 nan 0.000 0.458 100 Q N 0.206 119.681 119.800 -0.541 0.000 2.020 100 Q HA -0.053 4.286 4.340 -0.001 0.000 0.198 100 Q C 2.580 178.378 176.000 -0.337 0.000 0.974 100 Q CA 0.794 56.224 55.803 -0.622 0.000 0.829 100 Q CB -0.479 27.398 28.738 -1.435 0.000 0.894 100 Q HN 0.393 nan 8.270 nan 0.000 0.433 101 L N 0.567 121.596 121.223 -0.323 0.000 2.042 101 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 101 L C 2.428 179.319 176.870 0.034 0.000 1.076 101 L CA 1.479 56.292 54.840 -0.045 0.000 0.749 101 L CB -0.746 41.276 42.059 -0.062 0.000 0.893 101 L HN 0.253 nan 8.230 nan 0.000 0.432 102 T N 0.347 114.891 114.554 -0.015 0.000 2.607 102 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 102 T C 1.938 176.714 174.700 0.127 0.000 1.049 102 T CA 1.502 63.647 62.100 0.075 0.000 1.162 102 T CB -0.398 68.482 68.868 0.020 0.000 0.863 102 T HN 0.198 nan 8.240 nan 0.000 0.424 103 L N 0.346 121.603 121.223 0.056 0.000 2.051 103 L HA -0.151 4.189 4.340 -0.001 0.000 0.214 103 L C 2.527 179.480 176.870 0.137 0.000 1.076 103 L CA 1.392 56.276 54.840 0.072 0.000 0.758 103 L CB -0.678 41.404 42.059 0.039 0.000 0.890 103 L HN 0.280 nan 8.230 nan 0.000 0.433 104 L N -2.310 118.993 121.223 0.133 0.000 2.109 104 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 104 L C 2.569 179.645 176.870 0.342 0.000 1.086 104 L CA 0.805 55.767 54.840 0.204 0.000 0.760 104 L CB -0.623 41.505 42.059 0.115 0.000 0.910 104 L HN 0.165 nan 8.230 nan 0.000 0.437 105 Y N 1.176 121.568 120.300 0.153 0.000 2.089 105 Y HA -0.280 4.270 4.550 -0.001 0.000 0.282 105 Y C 2.651 178.638 175.900 0.144 0.000 1.139 105 Y CA 1.669 59.857 58.100 0.147 0.000 1.123 105 Y CB -0.287 38.230 38.460 0.095 0.000 0.980 105 Y HN 0.184 nan 8.280 nan 0.000 0.493 106 Q N -0.297 119.575 119.800 0.121 0.000 1.922 106 Q HA -0.169 4.170 4.340 -0.001 0.000 0.201 106 Q C 1.961 177.964 176.000 0.005 0.000 0.979 106 Q CA 1.386 57.187 55.803 -0.002 0.000 0.841 106 Q CB -0.419 28.352 28.738 0.053 0.000 0.903 106 Q HN 0.456 nan 8.270 nan 0.000 0.431 107 D N -0.240 120.178 120.400 0.031 0.000 2.190 107 D HA -0.170 4.470 4.640 -0.001 0.000 0.200 107 D C 1.343 177.539 176.300 -0.174 0.000 0.992 107 D CA 1.512 55.465 54.000 -0.079 0.000 0.854 107 D CB 0.057 40.801 40.800 -0.094 0.000 0.936 107 D HN 0.316 nan 8.370 nan 0.000 0.462 108 Y N -0.863 119.462 120.300 0.042 0.000 2.430 108 Y HA 0.291 4.840 4.550 -0.001 0.000 0.248 108 Y C 1.438 177.463 175.900 0.209 0.000 1.108 108 Y CA 0.143 58.306 58.100 0.106 0.000 1.264 108 Y CB 0.916 39.316 38.460 -0.099 0.000 1.172 108 Y HN -0.079 nan 8.280 nan 0.000 0.520 109 G N 1.539 110.467 108.800 0.215 0.000 2.333 109 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.296 109 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.296 109 G C 0.112 175.151 174.900 0.232 0.000 1.059 109 G CA 0.097 45.251 45.100 0.090 0.000 1.050 109 G HN 0.591 nan 8.290 nan 0.000 0.508 110 A N 0.062 123.069 122.820 0.313 0.000 2.302 110 A HA 0.675 4.995 4.320 -0.001 0.000 0.285 110 A C 0.234 178.057 177.584 0.398 0.000 1.105 110 A CA -0.210 52.047 52.037 0.366 0.000 0.816 110 A CB 0.589 19.819 19.000 0.383 0.000 1.067 110 A HN 1.238 nan 8.150 nan 0.000 0.489 111 H N 1.575 120.790 119.070 0.241 0.000 2.761 111 H HA 0.514 5.070 4.556 -0.000 0.000 0.284 111 H C -0.370 175.076 175.328 0.197 0.000 1.105 111 H CA -0.410 55.764 56.048 0.212 0.000 1.352 111 H CB -0.297 29.553 29.762 0.148 0.000 1.423 111 H HN 0.459 nan 8.280 nan 0.000 0.464 112 I N 3.722 124.228 120.570 -0.106 0.000 2.612 112 I HA 0.270 4.440 4.170 -0.001 0.000 0.295 112 I C 0.005 175.937 176.117 -0.307 0.000 1.011 112 I CA -0.396 60.827 61.300 -0.128 0.000 1.326 112 I CB 1.261 39.228 38.000 -0.056 0.000 1.427 112 I HN 0.703 nan 8.210 nan 0.000 0.537 113 S N 3.985 119.593 115.700 -0.153 0.000 2.548 113 S HA 0.631 5.101 4.470 -0.001 0.000 0.278 113 S C -1.225 173.362 174.600 -0.022 0.000 1.150 113 S CA -0.821 57.313 58.200 -0.109 0.000 0.907 113 S CB 1.443 64.577 63.200 -0.110 0.000 1.108 113 S HN 0.275 nan 8.310 nan 0.000 0.459 114 V N 3.760 123.673 119.914 -0.000 0.000 2.680 114 V HA 0.916 5.035 4.120 -0.001 0.000 0.309 114 V C -0.962 175.155 176.094 0.038 0.000 1.052 114 V CA -0.371 61.945 62.300 0.027 0.000 0.908 114 V CB 1.618 33.461 31.823 0.033 0.000 1.001 114 V HN 1.100 nan 8.190 nan 0.000 0.431 115 Q N 3.044 122.874 119.800 0.051 0.000 2.666 115 Q HA 0.391 4.731 4.340 -0.001 0.000 0.276 115 Q C -3.336 172.703 176.000 0.065 0.000 0.952 115 Q CA -1.979 53.856 55.803 0.052 0.000 0.850 115 Q CB 1.264 30.026 28.738 0.041 0.000 1.512 115 Q HN 0.387 nan 8.270 nan 0.000 0.395 116 P HA -0.016 nan 4.420 nan 0.000 0.261 116 P C 0.096 177.437 177.300 0.068 0.000 1.173 116 P CA 0.835 63.979 63.100 0.074 0.000 0.760 116 P CB 0.605 32.334 31.700 0.050 0.000 0.783 117 S N 3.378 119.142 115.700 0.106 0.000 2.546 117 S HA 0.159 4.629 4.470 -0.001 0.000 0.265 117 S C 0.731 175.343 174.600 0.021 0.000 1.190 117 S CA -0.125 58.132 58.200 0.095 0.000 1.014 117 S CB 0.385 63.708 63.200 0.204 0.000 1.087 117 S HN 0.350 nan 8.310 nan 0.000 0.525 118 Q N 0.008 119.746 119.800 -0.104 0.000 2.194 118 Q HA 0.257 4.597 4.340 -0.001 0.000 0.214 118 Q C -0.674 175.109 176.000 -0.363 0.000 0.838 118 Q CA 0.104 55.756 55.803 -0.252 0.000 0.972 118 Q CB 0.150 28.677 28.738 -0.351 0.000 1.131 118 Q HN 0.664 nan 8.270 nan 0.000 0.498 119 H N 0.825 119.982 119.070 0.145 0.000 2.511 119 H HA 0.347 4.903 4.556 -0.000 0.000 0.328 119 H C -0.117 175.394 175.328 0.305 0.000 1.044 119 H CA -0.200 55.973 56.048 0.208 0.000 1.212 119 H CB 1.178 31.060 29.762 0.201 0.000 1.428 119 H HN 0.060 nan 8.280 nan 0.000 0.483 120 E N 2.730 123.128 120.200 0.331 0.000 2.349 120 E HA 0.242 4.591 4.350 -0.001 0.000 0.265 120 E C 0.259 177.008 176.600 0.248 0.000 1.064 120 E CA -0.554 56.012 56.400 0.276 0.000 0.886 120 E CB 1.614 31.486 29.700 0.287 0.000 1.036 120 E HN 0.445 nan 8.360 nan 0.000 0.413 121 I N 3.399 123.967 120.570 -0.003 0.000 2.396 121 I HA 0.129 4.299 4.170 -0.001 0.000 0.289 121 I C -2.139 174.033 176.117 0.091 0.000 1.056 121 I CA -2.140 59.077 61.300 -0.139 0.000 1.365 121 I CB 0.451 38.192 38.000 -0.432 0.000 1.407 121 I HN 0.114 nan 8.210 nan 0.000 0.509 122 P HA -0.104 nan 4.420 nan 0.000 0.264 122 P C 0.263 177.523 177.300 -0.067 0.000 1.193 122 P CA 0.112 63.251 63.100 0.065 0.000 0.763 122 P CB 0.222 31.943 31.700 0.036 0.000 0.810 123 Y N 5.483 125.716 120.300 -0.113 0.000 2.241 123 Y HA -0.126 4.424 4.550 -0.001 0.000 0.286 123 Y C -1.147 174.633 175.900 -0.201 0.000 1.166 123 Y CA 1.280 59.263 58.100 -0.195 0.000 1.203 123 Y CB -2.879 35.424 38.460 -0.262 0.000 0.977 123 Y HN 0.351 nan 8.280 nan 0.000 0.529 124 P HA -0.138 nan 4.420 nan 0.000 0.220 124 P C 0.775 177.913 177.300 -0.270 0.000 1.148 124 P CA 1.654 64.466 63.100 -0.481 0.000 0.803 124 P CB -0.276 30.978 31.700 -0.743 0.000 0.782 125 Y N -1.196 119.050 120.300 -0.089 0.000 2.561 125 Y HA -0.027 4.523 4.550 -0.001 0.000 0.291 125 Y C 1.994 177.877 175.900 -0.029 0.000 1.141 125 Y CA 0.282 58.364 58.100 -0.031 0.000 1.303 125 Y CB -1.118 37.364 38.460 0.037 0.000 1.015 125 Y HN -0.085 nan 8.280 nan 0.000 0.547 126 V N -3.242 116.712 119.914 0.065 0.000 3.565 126 V HA 0.191 4.311 4.120 -0.001 0.000 0.260 126 V C 0.784 176.865 176.094 -0.021 0.000 1.231 126 V CA -0.021 62.276 62.300 -0.005 0.000 1.100 126 V CB -0.315 31.462 31.823 -0.077 0.000 0.807 126 V HN 0.104 nan 8.190 nan 0.000 0.454 127 I N 2.765 123.328 120.570 -0.011 0.000 2.349 127 I HA 0.084 4.253 4.170 -0.001 0.000 0.302 127 I C 1.490 177.597 176.117 -0.017 0.000 1.180 127 I CA 0.340 61.627 61.300 -0.021 0.000 1.405 127 I CB 0.152 38.149 38.000 -0.006 0.000 1.474 127 I HN 0.251 nan 8.210 nan 0.000 0.632 128 D N 4.587 124.975 120.400 -0.019 0.000 2.108 128 D HA -0.110 4.530 4.640 -0.001 0.000 0.190 128 D C 1.498 177.787 176.300 -0.019 0.000 0.995 128 D CA 1.618 55.609 54.000 -0.016 0.000 0.834 128 D CB 0.122 40.910 40.800 -0.020 0.000 0.967 128 D HN 0.527 nan 8.370 nan 0.000 0.446 129 G N -0.674 108.112 108.800 -0.022 0.000 2.583 129 G HA2 0.206 4.165 3.960 -0.001 0.000 0.275 129 G HA3 0.206 4.165 3.960 -0.001 0.000 0.275 129 G C -0.106 174.782 174.900 -0.021 0.000 1.342 129 G CA 0.127 45.215 45.100 -0.021 0.000 1.030 129 G HN 0.371 nan 8.290 nan 0.000 0.520 130 S N -1.072 114.618 115.700 -0.018 0.000 2.525 130 S HA -0.042 4.428 4.470 -0.001 0.000 0.282 130 S C 0.712 175.300 174.600 -0.021 0.000 1.324 130 S CA 0.363 58.553 58.200 -0.017 0.000 1.025 130 S CB 0.071 63.264 63.200 -0.013 0.000 0.820 130 S HN 0.519 nan 8.310 nan 0.000 0.514 131 E N 0.878 121.064 120.200 -0.023 0.000 2.416 131 E HA 0.361 4.711 4.350 -0.001 0.000 0.254 131 E C -0.125 176.465 176.600 -0.016 0.000 1.241 131 E CA 0.061 56.446 56.400 -0.024 0.000 0.969 131 E CB 0.241 29.921 29.700 -0.034 0.000 0.999 131 E HN 0.547 nan 8.360 nan 0.000 0.481 132 L N 0.085 121.303 121.223 -0.008 0.000 2.416 132 L HA 0.345 4.685 4.340 -0.001 0.000 0.262 132 L C 0.848 177.716 176.870 -0.004 0.000 1.093 132 L CA -0.264 54.572 54.840 -0.008 0.000 0.801 132 L CB 1.125 43.179 42.059 -0.008 0.000 1.191 132 L HN 0.677 nan 8.230 nan 0.000 0.459 133 T N -1.737 112.813 114.554 -0.005 0.000 3.252 133 T HA 0.335 4.685 4.350 -0.001 0.000 0.286 133 T C 0.054 174.755 174.700 0.002 0.000 1.013 133 T CA -0.522 61.578 62.100 -0.001 0.000 0.914 133 T CB -0.213 68.653 68.868 -0.003 0.000 1.131 133 T HN 0.060 nan 8.240 nan 0.000 0.529 134 L N 3.871 125.097 121.223 0.004 0.000 2.529 134 L HA 0.240 4.580 4.340 -0.001 0.000 0.287 134 L C 0.909 177.790 176.870 0.018 0.000 1.241 134 L CA 0.319 55.166 54.840 0.011 0.000 0.857 134 L CB 0.052 42.121 42.059 0.016 0.000 1.113 134 L HN 0.513 nan 8.230 nan 0.000 0.504 135 D N 1.390 121.802 120.400 0.021 0.000 2.356 135 D HA 0.119 4.759 4.640 -0.001 0.000 0.258 135 D C 1.087 177.406 176.300 0.032 0.000 1.279 135 D CA -0.431 53.583 54.000 0.022 0.000 1.016 135 D CB 0.491 41.302 40.800 0.019 0.000 1.107 135 D HN 0.214 nan 8.370 nan 0.000 0.544 136 R N 0.085 120.603 120.500 0.031 0.000 2.127 136 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 136 R C 1.082 177.412 176.300 0.051 0.000 1.125 136 R CA 0.890 57.011 56.100 0.036 0.000 0.904 136 R CB -1.605 28.712 30.300 0.030 0.000 0.831 136 R HN 0.536 nan 8.270 nan 0.000 0.431 140 A N 1.740 124.600 122.820 0.068 0.000 1.903 140 A HA 0.031 4.351 4.320 -0.001 0.000 0.219 140 A C 2.145 179.755 177.584 0.042 0.000 1.191 140 A CA 2.568 54.634 52.037 0.048 0.000 0.638 140 A CB -1.539 17.491 19.000 0.050 0.000 0.823 140 A HN 0.686 nan 8.150 nan 0.000 0.451 141 G N -0.640 108.238 108.800 0.131 0.000 2.422 141 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.218 141 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.218 141 G C 1.582 176.510 174.900 0.046 0.000 1.146 141 G CA 0.963 46.195 45.100 0.221 0.000 0.769 141 G HN 0.426 nan 8.290 nan 0.000 0.547 142 L N 0.923 122.132 121.223 -0.023 0.000 1.961 142 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 142 L C 3.395 180.307 176.870 0.069 0.000 1.072 142 L CA 2.046 56.810 54.840 -0.127 0.000 0.749 142 L CB -0.841 40.997 42.059 -0.369 0.000 0.889 142 L HN 0.466 nan 8.230 nan 0.000 0.432 143 T N -2.899 111.728 114.554 0.121 0.000 3.025 143 T HA -0.238 4.112 4.350 -0.001 0.000 0.270 143 T C 1.790 176.499 174.700 0.015 0.000 1.126 143 T CA 1.153 63.356 62.100 0.172 0.000 1.105 143 T CB -0.279 68.661 68.868 0.121 0.000 0.884 143 T HN 0.323 nan 8.240 nan 0.000 0.522 144 R N -0.599 119.822 120.500 -0.133 0.000 2.128 144 R HA 0.115 4.455 4.340 -0.001 0.000 0.211 144 R C 1.115 177.091 176.300 -0.541 0.000 1.067 144 R CA 0.549 56.414 56.100 -0.391 0.000 1.010 144 R CB 0.052 29.970 30.300 -0.638 0.000 0.922 144 R HN 0.489 nan 8.270 nan 0.000 0.457 145 Y N -1.154 119.051 120.300 -0.160 0.000 2.458 145 Y HA 0.341 4.890 4.550 -0.001 0.000 0.256 145 Y C -0.410 175.098 175.900 -0.653 0.000 1.159 145 Y CA -0.398 57.462 58.100 -0.400 0.000 1.261 145 Y CB 0.504 38.625 38.460 -0.565 0.000 1.119 145 Y HN -0.113 nan 8.280 nan 0.000 0.524 146 F N -0.405 119.552 119.950 0.012 0.000 2.631 146 F HA 0.580 5.107 4.527 -0.001 0.000 0.328 146 F C -2.444 173.424 175.800 0.113 0.000 1.067 146 F CA -3.136 54.886 58.000 0.036 0.000 0.969 146 F CB 0.854 39.786 39.000 -0.114 0.000 1.332 146 F HN -0.333 nan 8.300 nan 0.000 0.490 147 P HA 0.232 nan 4.420 nan 0.000 0.276 147 P C -0.843 176.565 177.300 0.180 0.000 1.243 147 P CA -0.095 63.144 63.100 0.231 0.000 0.768 147 P CB 0.688 32.511 31.700 0.204 0.000 0.856 148 T N -1.161 113.446 114.554 0.087 0.000 2.916 148 T HA 0.587 4.937 4.350 -0.001 0.000 0.292 148 T C -0.186 174.497 174.700 -0.029 0.000 1.064 148 T CA -0.868 61.196 62.100 -0.060 0.000 1.011 148 T CB 0.739 69.596 68.868 -0.019 0.000 1.152 148 T HN 0.302 nan 8.240 nan 0.000 0.510 149 T N 0.873 115.375 114.554 -0.087 0.000 2.901 149 T HA 0.455 4.805 4.350 -0.001 0.000 0.301 149 T C -0.549 174.162 174.700 0.017 0.000 1.012 149 T CA -0.673 61.433 62.100 0.009 0.000 1.135 149 T CB 0.316 69.192 68.868 0.013 0.000 0.936 149 T HN 0.617 nan 8.240 nan 0.000 0.539 150 E N 2.753 122.976 120.200 0.038 0.000 2.218 150 E HA 0.440 4.790 4.350 -0.001 0.000 0.263 150 E C -0.419 176.185 176.600 0.006 0.000 0.879 150 E CA -0.762 55.652 56.400 0.024 0.000 0.762 150 E CB 1.684 31.407 29.700 0.038 0.000 1.166 150 E HN 0.435 nan 8.360 nan 0.000 0.415 169 S N 1.722 117.423 115.700 0.003 0.000 2.482 169 S HA 0.561 5.030 4.470 -0.001 0.000 0.303 169 S C -2.659 171.952 174.600 0.019 0.000 1.091 169 S CA -1.287 56.891 58.200 -0.036 0.000 1.057 169 S CB 1.959 65.046 63.200 -0.189 0.000 1.031 169 S HN -0.283 nan 8.310 nan 0.000 0.485 170 P HA -0.012 nan 4.420 nan 0.000 0.260 170 P C 0.495 177.779 177.300 -0.027 0.000 1.172 170 P CA -0.043 63.041 63.100 -0.026 0.000 0.760 170 P CB 0.359 32.024 31.700 -0.058 0.000 0.773 171 L N 4.100 125.242 121.223 -0.134 0.000 2.162 171 L HA 0.037 4.377 4.340 -0.001 0.000 0.205 171 L C 0.801 177.322 176.870 -0.583 0.000 1.086 171 L CA 1.713 56.339 54.840 -0.357 0.000 0.778 171 L CB -0.456 41.330 42.059 -0.456 0.000 0.928 171 L HN 0.423 nan 8.230 nan 0.000 0.446 172 S N -3.404 112.069 115.700 -0.378 0.000 2.810 172 S HA 0.349 4.819 4.470 -0.001 0.000 0.315 172 S C 0.898 175.282 174.600 -0.360 0.000 1.138 172 S CA -0.575 57.456 58.200 -0.281 0.000 0.889 172 S CB 0.391 63.606 63.200 0.025 0.000 1.236 172 S HN 0.240 nan 8.310 nan 0.000 0.548 173 H N -0.512 118.431 119.070 -0.212 0.000 2.403 173 H HA 0.300 4.855 4.556 -0.000 0.000 0.298 173 H C -0.468 174.383 175.328 -0.795 0.000 1.059 173 H CA 1.022 56.739 56.048 -0.551 0.000 1.363 173 H CB -0.019 29.273 29.762 -0.784 0.000 1.410 173 H HN 0.458 nan 8.280 nan 0.000 0.528 174 F N 1.537 121.508 119.950 0.035 0.000 2.551 174 F HA 0.208 4.734 4.527 -0.000 0.000 0.316 174 F C 0.446 176.167 175.800 -0.130 0.000 1.089 174 F CA -1.387 56.580 58.000 -0.055 0.000 0.915 174 F CB 1.469 40.414 39.000 -0.091 0.000 1.186 174 F HN -0.029 nan 8.300 nan 0.000 0.456 175 D N 1.437 121.841 120.400 0.007 0.000 2.432 175 D HA 0.391 5.031 4.640 -0.001 0.000 0.258 175 D C 1.019 177.188 176.300 -0.219 0.000 1.146 175 D CA -0.194 53.725 54.000 -0.135 0.000 1.015 175 D CB 1.417 42.104 40.800 -0.188 0.000 1.107 175 D HN 0.592 nan 8.370 nan 0.000 0.529 176 A N 1.226 123.814 122.820 -0.387 0.000 1.870 176 A HA -0.298 4.022 4.320 -0.001 0.000 0.219 176 A C 2.286 179.552 177.584 -0.530 0.000 1.224 176 A CA 2.054 53.711 52.037 -0.632 0.000 0.650 176 A CB -0.760 17.414 19.000 -1.377 0.000 0.836 176 A HN 0.695 nan 8.150 nan 0.000 0.454 177 R N -1.498 118.719 120.500 -0.470 0.000 2.091 177 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 177 R C 2.481 178.716 176.300 -0.108 0.000 1.136 177 R CA 1.732 57.722 56.100 -0.183 0.000 0.959 177 R CB -0.336 29.936 30.300 -0.047 0.000 0.856 177 R HN 0.518 nan 8.270 nan 0.000 0.437 178 R N 0.909 121.352 120.500 -0.095 0.000 2.096 178 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 178 R C 1.924 178.216 176.300 -0.013 0.000 1.127 178 R CA 1.437 57.528 56.100 -0.016 0.000 0.968 178 R CB -0.684 29.643 30.300 0.045 0.000 0.861 178 R HN 0.050 nan 8.270 nan 0.000 0.440 179 V N 0.930 120.778 119.914 -0.110 0.000 2.307 179 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 179 V C 1.771 177.779 176.094 -0.144 0.000 1.045 179 V CA 2.137 64.347 62.300 -0.150 0.000 1.024 179 V CB -0.568 31.139 31.823 -0.194 0.000 0.651 179 V HN 0.303 nan 8.190 nan 0.000 0.449 180 D N -0.335 119.922 120.400 -0.239 0.000 2.123 180 D HA -0.195 4.444 4.640 -0.001 0.000 0.196 180 D C 1.904 177.961 176.300 -0.405 0.000 0.992 180 D CA 1.390 55.120 54.000 -0.450 0.000 0.833 180 D CB -0.294 39.940 40.800 -0.942 0.000 0.954 180 D HN 0.439 nan 8.370 nan 0.000 0.455 181 F N 1.575 121.305 119.950 -0.367 0.000 2.091 181 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 181 F C 2.429 178.165 175.800 -0.107 0.000 1.103 181 F CA 1.582 59.563 58.000 -0.032 0.000 1.228 181 F CB -0.196 38.833 39.000 0.047 0.000 0.984 181 F HN -0.164 nan 8.300 nan 0.000 0.477 182 S N 0.704 116.372 115.700 -0.054 0.000 2.387 182 S HA -0.048 4.421 4.470 -0.001 0.000 0.226 182 S C 2.086 176.480 174.600 -0.344 0.000 1.026 182 S CA 1.048 59.123 58.200 -0.208 0.000 0.972 182 S CB -0.406 62.825 63.200 0.053 0.000 0.814 182 S HN 0.360 nan 8.310 nan 0.000 0.477 183 L N 1.206 122.284 121.223 -0.241 0.000 2.046 183 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 183 L C 2.825 179.543 176.870 -0.254 0.000 1.077 183 L CA 1.256 55.956 54.840 -0.235 0.000 0.747 183 L CB -0.769 41.197 42.059 -0.156 0.000 0.896 183 L HN 0.322 nan 8.230 nan 0.000 0.432 184 A N 0.148 122.825 122.820 -0.237 0.000 1.865 184 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 184 A C 2.312 179.692 177.584 -0.340 0.000 1.191 184 A CA 1.917 53.824 52.037 -0.217 0.000 0.623 184 A CB -0.472 18.450 19.000 -0.131 0.000 0.826 184 A HN 0.243 nan 8.150 nan 0.000 0.444 185 R N -0.489 119.674 120.500 -0.562 0.000 2.070 185 R HA 0.000 4.340 4.340 -0.001 0.000 0.233 185 R C 2.126 178.182 176.300 -0.407 0.000 1.137 185 R CA 1.294 56.974 56.100 -0.701 0.000 0.945 185 R CB -0.919 28.648 30.300 -1.221 0.000 0.845 185 R HN 0.559 nan 8.270 nan 0.000 0.430 186 L N 0.252 121.287 121.223 -0.314 0.000 2.051 186 L HA -0.319 4.020 4.340 -0.001 0.000 0.214 186 L C 2.616 179.460 176.870 -0.044 0.000 1.076 186 L CA 1.775 56.552 54.840 -0.105 0.000 0.758 186 L CB -0.284 41.603 42.059 -0.285 0.000 0.890 186 L HN 0.246 nan 8.230 nan 0.000 0.433 187 R N -1.148 119.280 120.500 -0.120 0.000 2.070 187 R HA -0.257 4.083 4.340 -0.001 0.000 0.232 187 R C 2.419 178.677 176.300 -0.071 0.000 1.138 187 R CA 1.966 58.020 56.100 -0.076 0.000 0.936 187 R CB -0.379 29.863 30.300 -0.096 0.000 0.839 187 R HN 0.392 nan 8.270 nan 0.000 0.429 188 H N -0.637 118.317 119.070 -0.193 0.000 2.265 188 H HA -0.206 4.350 4.556 -0.001 0.000 0.295 188 H C 1.662 176.969 175.328 -0.034 0.000 1.084 188 H CA 2.560 58.507 56.048 -0.168 0.000 1.261 188 H CB -0.451 29.094 29.762 -0.362 0.000 1.360 188 H HN 0.275 nan 8.280 nan 0.000 0.487 189 Y N -0.288 119.978 120.300 -0.058 0.000 2.181 189 Y HA -0.131 4.419 4.550 -0.001 0.000 0.288 189 Y C 3.021 178.865 175.900 -0.093 0.000 1.146 189 Y CA 1.668 59.726 58.100 -0.069 0.000 1.164 189 Y CB -0.891 37.599 38.460 0.049 0.000 0.982 189 Y HN 0.271 nan 8.280 nan 0.000 0.515 190 T N -1.620 112.969 114.554 0.059 0.000 2.942 190 T HA 0.111 4.461 4.350 -0.001 0.000 0.265 190 T C 1.582 176.000 174.700 -0.470 0.000 1.062 190 T CA 1.242 63.297 62.100 -0.074 0.000 1.139 190 T CB -0.757 68.226 68.868 0.192 0.000 0.883 190 T HN 0.580 nan 8.240 nan 0.000 0.468 191 G N 1.555 109.925 108.800 -0.717 0.000 2.198 191 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.257 191 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.257 191 G C 0.195 174.802 174.900 -0.488 0.000 1.042 191 G CA 0.406 44.765 45.100 -1.236 0.000 0.791 191 G HN 0.570 nan 8.290 nan 0.000 0.502 192 T N -0.039 114.393 114.554 -0.203 0.000 2.883 192 T HA 0.610 4.959 4.350 -0.001 0.000 0.301 192 T C -2.986 171.743 174.700 0.048 0.000 1.158 192 T CA -0.979 61.117 62.100 -0.007 0.000 1.007 192 T CB 2.941 71.897 68.868 0.147 0.000 1.186 192 T HN -0.023 nan 8.240 nan 0.000 0.499 193 P HA 0.176 nan 4.420 nan 0.000 0.281 193 P C 1.256 178.479 177.300 -0.129 0.000 1.252 193 P CA -0.557 62.416 63.100 -0.211 0.000 0.778 193 P CB 0.609 31.987 31.700 -0.536 0.000 0.895 194 V N 1.274 121.096 119.914 -0.153 0.000 2.688 194 V HA -0.257 3.863 4.120 -0.001 0.000 0.256 194 V C 1.215 177.214 176.094 -0.158 0.000 1.084 194 V CA 1.735 63.888 62.300 -0.246 0.000 1.103 194 V CB -1.390 30.217 31.823 -0.360 0.000 0.688 194 V HN 0.360 nan 8.190 nan 0.000 0.480 195 E N 0.042 120.122 120.200 -0.200 0.000 2.347 195 E HA -0.044 4.306 4.350 -0.001 0.000 0.196 195 E C 1.901 178.531 176.600 0.051 0.000 1.008 195 E CA 1.307 57.631 56.400 -0.127 0.000 0.852 195 E CB -0.556 29.061 29.700 -0.138 0.000 0.783 195 E HN 0.870 nan 8.360 nan 0.000 0.505 196 H N -1.188 117.871 119.070 -0.019 0.000 2.551 196 H HA 0.125 4.680 4.556 -0.001 0.000 0.266 196 H C -0.139 174.979 175.328 -0.350 0.000 0.964 196 H CA -0.673 55.291 56.048 -0.140 0.000 1.180 196 H CB 0.111 29.751 29.762 -0.203 0.000 1.408 196 H HN 0.072 nan 8.280 nan 0.000 0.563 197 F N 2.729 122.457 119.950 -0.370 0.000 2.578 197 F HA -0.048 4.479 4.527 -0.000 0.000 0.376 197 F C 0.729 176.548 175.800 0.032 0.000 1.085 197 F CA -0.243 57.661 58.000 -0.161 0.000 1.260 197 F CB 0.552 39.512 39.000 -0.066 0.000 1.095 197 F HN 0.140 nan 8.300 nan 0.000 0.573 198 Q N 5.304 125.258 119.800 0.257 0.000 2.205 198 Q HA 0.225 4.565 4.340 -0.001 0.000 0.249 198 Q C -1.634 174.464 176.000 0.162 0.000 0.948 198 Q CA -2.092 53.849 55.803 0.231 0.000 0.895 198 Q CB 0.740 29.661 28.738 0.304 0.000 1.249 198 Q HN 0.295 nan 8.270 nan 0.000 0.458 199 P HA -0.054 nan 4.420 nan 0.000 0.222 199 P C -0.529 176.464 177.300 -0.513 0.000 1.147 199 P CA 1.102 64.035 63.100 -0.277 0.000 0.790 199 P CB 0.209 31.632 31.700 -0.462 0.000 0.780 200 F N -0.724 119.295 119.950 0.115 0.000 2.361 200 F HA 0.289 4.816 4.527 -0.000 0.000 0.364 200 F C 0.242 176.074 175.800 0.053 0.000 1.117 200 F CA -1.177 56.876 58.000 0.088 0.000 1.071 200 F CB 0.781 39.840 39.000 0.099 0.000 1.188 200 F HN -0.413 nan 8.300 nan 0.000 0.464 201 V N 4.673 124.654 119.914 0.112 0.000 2.547 201 V HA 0.480 4.599 4.120 -0.001 0.000 0.299 201 V C -0.554 175.427 176.094 -0.188 0.000 1.040 201 V CA -0.760 61.499 62.300 -0.069 0.000 0.913 201 V CB 1.954 33.696 31.823 -0.135 0.000 0.992 201 V HN 0.433 nan 8.190 nan 0.000 0.449 202 L N 4.374 125.389 121.223 -0.346 0.000 2.349 202 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 202 L C -0.943 175.687 176.870 -0.400 0.000 0.996 202 L CA -0.057 54.589 54.840 -0.324 0.000 0.825 202 L CB 1.414 43.283 42.059 -0.317 0.000 1.243 202 L HN 0.424 nan 8.230 nan 0.000 0.412 203 F N 1.771 121.647 119.950 -0.122 0.000 2.427 203 F HA 0.691 5.218 4.527 -0.001 0.000 0.346 203 F C 0.601 176.282 175.800 -0.198 0.000 1.120 203 F CA -0.641 57.271 58.000 -0.147 0.000 1.033 203 F CB 1.918 40.824 39.000 -0.157 0.000 1.126 203 F HN 0.447 nan 8.300 nan 0.000 0.462 204 T N -0.871 113.700 114.554 0.029 0.000 2.893 204 T HA 0.373 4.722 4.350 -0.001 0.000 0.291 204 T C 0.033 174.769 174.700 0.060 0.000 1.028 204 T CA -0.939 61.102 62.100 -0.099 0.000 0.995 204 T CB 1.677 70.437 68.868 -0.180 0.000 1.051 204 T HN 0.474 nan 8.240 nan 0.000 0.470 205 N N 0.071 118.811 118.700 0.066 0.000 2.203 205 N HA 0.137 4.877 4.740 -0.001 0.000 0.207 205 N C -0.783 174.968 175.510 0.402 0.000 1.130 205 N CA -0.458 52.679 53.050 0.145 0.000 0.861 205 N CB 0.074 38.525 38.487 -0.059 0.000 1.005 205 N HN 0.621 nan 8.380 nan 0.000 0.507 206 Y N 0.100 120.633 120.300 0.389 0.000 2.406 206 Y HA 0.407 4.957 4.550 -0.001 0.000 0.340 206 Y C 1.390 177.494 175.900 0.341 0.000 0.975 206 Y CA -1.646 56.719 58.100 0.442 0.000 1.056 206 Y CB 1.755 40.599 38.460 0.639 0.000 1.210 206 Y HN -0.029 nan 8.280 nan 0.000 0.448 207 T N 3.825 118.497 114.554 0.197 0.000 2.759 207 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 207 T C 1.770 176.265 174.700 -0.342 0.000 1.042 207 T CA 2.080 64.109 62.100 -0.118 0.000 1.140 207 T CB -0.036 68.610 68.868 -0.370 0.000 0.864 207 T HN 0.769 nan 8.240 nan 0.000 0.455 208 R N -0.826 119.153 120.500 -0.868 0.000 2.293 208 R HA -0.062 4.278 4.340 -0.001 0.000 0.219 208 R C 1.939 177.952 176.300 -0.479 0.000 1.091 208 R CA 1.021 56.672 56.100 -0.749 0.000 1.004 208 R CB -0.346 29.321 30.300 -1.054 0.000 0.865 208 R HN 0.560 nan 8.270 nan 0.000 0.469 209 Y N -0.236 119.927 120.300 -0.229 0.000 2.314 209 Y HA -0.195 4.354 4.550 -0.000 0.000 0.293 209 Y C 2.447 178.286 175.900 -0.102 0.000 1.129 209 Y CA 1.174 59.213 58.100 -0.103 0.000 1.201 209 Y CB -0.342 38.101 38.460 -0.028 0.000 0.999 209 Y HN -0.100 nan 8.280 nan 0.000 0.541 210 V N -1.965 117.953 119.914 0.007 0.000 2.307 210 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 210 V C 1.809 177.792 176.094 -0.185 0.000 1.045 210 V CA 2.087 64.285 62.300 -0.171 0.000 1.024 210 V CB -0.616 30.945 31.823 -0.436 0.000 0.651 210 V HN 0.167 nan 8.190 nan 0.000 0.449 211 D N 0.581 120.885 120.400 -0.162 0.000 2.127 211 D HA -0.239 4.401 4.640 -0.001 0.000 0.190 211 D C 2.160 178.401 176.300 -0.099 0.000 1.000 211 D CA 2.276 56.191 54.000 -0.142 0.000 0.839 211 D CB -0.373 40.333 40.800 -0.155 0.000 0.955 211 D HN 0.603 nan 8.370 nan 0.000 0.446 212 E N -0.378 119.771 120.200 -0.086 0.000 2.160 212 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 212 E C 1.801 178.431 176.600 0.049 0.000 0.991 212 E CA 0.452 56.830 56.400 -0.038 0.000 0.810 212 E CB -0.369 29.289 29.700 -0.071 0.000 0.742 212 E HN 0.264 nan 8.360 nan 0.000 0.466 213 F N -0.427 119.465 119.950 -0.097 0.000 2.128 213 F HA -0.119 4.407 4.527 -0.001 0.000 0.295 213 F C 1.979 177.775 175.800 -0.006 0.000 1.100 213 F CA 1.038 59.007 58.000 -0.052 0.000 1.260 213 F CB -0.505 38.429 39.000 -0.110 0.000 1.009 213 F HN -0.108 nan 8.300 nan 0.000 0.476 214 V N 1.575 121.408 119.914 -0.134 0.000 2.255 214 V HA -0.341 3.779 4.120 -0.001 0.000 0.247 214 V C 2.652 178.636 176.094 -0.184 0.000 1.051 214 V CA 2.379 64.539 62.300 -0.233 0.000 1.018 214 V CB -0.916 30.774 31.823 -0.222 0.000 0.641 214 V HN 0.348 nan 8.190 nan 0.000 0.445 215 R N -1.070 119.368 120.500 -0.104 0.000 2.115 215 R HA -0.295 4.045 4.340 -0.001 0.000 0.239 215 R C 2.213 178.479 176.300 -0.058 0.000 1.133 215 R CA 2.764 58.823 56.100 -0.069 0.000 0.935 215 R CB -0.633 29.646 30.300 -0.035 0.000 0.853 215 R HN 0.636 nan 8.270 nan 0.000 0.433 216 W N 1.027 122.191 121.300 -0.227 0.000 2.342 216 W HA -0.082 4.577 4.660 -0.001 0.000 0.297 216 W C 1.840 178.161 176.519 -0.330 0.000 1.213 216 W CA 1.982 59.184 57.345 -0.237 0.000 1.251 216 W CB -0.674 28.653 29.460 -0.223 0.000 1.136 216 W HN 0.281 nan 8.180 nan 0.000 0.526 217 G N 0.088 108.677 108.800 -0.352 0.000 2.484 217 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.215 217 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.215 217 G C 1.423 176.035 174.900 -0.480 0.000 1.219 217 G CA 1.703 46.436 45.100 -0.611 0.000 0.791 217 G HN 0.362 nan 8.290 nan 0.000 0.550 218 C N 0.519 119.629 119.300 -0.317 0.000 2.398 218 C HA -0.105 4.355 4.460 -0.001 0.000 0.276 218 C C 3.397 178.240 174.990 -0.245 0.000 1.222 218 C CA 1.512 60.390 59.018 -0.234 0.000 1.746 218 C CB -1.070 26.575 27.740 -0.159 0.000 2.039 218 C HN 0.542 nan 8.230 nan 0.000 0.470 219 S N 0.010 115.550 115.700 -0.267 0.000 2.365 219 S HA -0.261 4.209 4.470 -0.001 0.000 0.225 219 S C 1.959 176.364 174.600 -0.325 0.000 1.039 219 S CA 1.899 59.945 58.200 -0.258 0.000 1.033 219 S CB -0.354 62.696 63.200 -0.249 0.000 0.887 219 S HN 0.628 nan 8.310 nan 0.000 0.447 220 Q N 0.716 120.204 119.800 -0.519 0.000 2.124 220 Q HA 0.004 4.343 4.340 -0.001 0.000 0.202 220 Q C 2.281 178.132 176.000 -0.248 0.000 0.977 220 Q CA 1.429 56.947 55.803 -0.477 0.000 0.850 220 Q CB -0.626 27.648 28.738 -0.772 0.000 0.901 220 Q HN 0.682 nan 8.270 nan 0.000 0.429 221 I N 0.021 120.451 120.570 -0.233 0.000 2.142 221 I HA -0.272 3.898 4.170 -0.001 0.000 0.240 221 I C 1.806 177.849 176.117 -0.123 0.000 1.078 221 I CA 0.648 61.857 61.300 -0.151 0.000 1.343 221 I CB -0.290 37.614 38.000 -0.161 0.000 1.046 221 I HN 0.151 nan 8.210 nan 0.000 0.405 222 L N 0.343 121.489 121.223 -0.129 0.000 2.127 222 L HA -0.158 4.181 4.340 -0.001 0.000 0.211 222 L C 1.066 177.883 176.870 -0.089 0.000 1.089 222 L CA 1.327 56.108 54.840 -0.098 0.000 0.757 222 L CB -1.238 40.764 42.059 -0.094 0.000 0.899 222 L HN 0.229 nan 8.230 nan 0.000 0.434 223 D N 0.476 120.811 120.400 -0.109 0.000 2.358 223 D HA 0.035 4.675 4.640 -0.001 0.000 0.258 223 D C -1.961 174.292 176.300 -0.078 0.000 1.223 223 D CA -2.011 51.934 54.000 -0.091 0.000 0.886 223 D CB 1.222 41.957 40.800 -0.107 0.000 1.120 223 D HN 0.024 nan 8.370 nan 0.000 0.482 224 P HA 0.113 nan 4.420 nan 0.000 0.263 224 P C -0.337 176.932 177.300 -0.052 0.000 1.386 224 P CA 0.341 63.409 63.100 -0.052 0.000 0.797 224 P CB 0.353 32.028 31.700 -0.040 0.000 1.381 225 D N -2.917 117.447 120.400 -0.061 0.000 2.448 225 D HA 0.026 4.666 4.640 -0.001 0.000 0.256 225 D C 0.312 176.564 176.300 -0.080 0.000 1.108 225 D CA 0.304 54.268 54.000 -0.059 0.000 0.848 225 D CB 0.147 40.919 40.800 -0.046 0.000 1.281 225 D HN -0.010 nan 8.370 nan 0.000 0.509 226 S N 2.082 117.727 115.700 -0.091 0.000 2.455 226 S HA 0.168 4.638 4.470 -0.001 0.000 0.278 226 S C -1.691 172.800 174.600 -0.182 0.000 1.216 226 S CA -1.247 56.882 58.200 -0.118 0.000 1.055 226 S CB 1.426 64.578 63.200 -0.079 0.000 0.939 226 S HN -0.197 nan 8.310 nan 0.000 0.494 227 P HA -0.096 nan 4.420 nan 0.000 0.222 227 P C -0.629 176.480 177.300 -0.319 0.000 1.142 227 P CA 0.912 63.820 63.100 -0.320 0.000 0.788 227 P CB -0.073 31.394 31.700 -0.389 0.000 0.767 228 Y N 0.430 120.666 120.300 -0.107 0.000 2.697 228 Y HA 0.041 4.591 4.550 -0.000 0.000 0.349 228 Y C 1.813 177.625 175.900 -0.146 0.000 1.120 228 Y CA -0.157 57.863 58.100 -0.133 0.000 1.468 228 Y CB -0.729 37.600 38.460 -0.220 0.000 1.182 228 Y HN 0.048 nan 8.280 nan 0.000 0.525 229 I N -0.432 120.134 120.570 -0.006 0.000 4.018 229 I HA 0.693 4.863 4.170 -0.001 0.000 0.337 229 I C 0.431 176.487 176.117 -0.102 0.000 1.327 229 I CA -0.011 61.263 61.300 -0.044 0.000 1.100 229 I CB 0.246 38.237 38.000 -0.016 0.000 1.025 229 I HN 0.443 nan 8.210 nan 0.000 0.396 230 A N 1.308 124.022 122.820 -0.176 0.000 2.581 230 A HA 0.787 5.107 4.320 -0.001 0.000 0.290 230 A C -1.937 175.375 177.584 -0.453 0.000 1.119 230 A CA -0.519 51.254 52.037 -0.439 0.000 0.670 230 A CB 1.748 20.347 19.000 -0.668 0.000 1.280 230 A HN 0.239 nan 8.150 nan 0.000 0.425 231 L N 0.662 121.490 121.223 -0.659 0.000 2.595 231 L HA 0.544 4.884 4.340 -0.001 0.000 0.259 231 L C -0.216 176.425 176.870 -0.381 0.000 1.033 231 L CA 0.211 54.821 54.840 -0.385 0.000 0.901 231 L CB 1.435 43.356 42.059 -0.230 0.000 1.151 231 L HN 0.771 nan 8.230 nan 0.000 0.453 232 S N 3.351 118.874 115.700 -0.296 0.000 2.531 232 S HA 0.476 4.946 4.470 -0.001 0.000 0.279 232 S C -0.189 174.421 174.600 0.017 0.000 1.305 232 S CA -0.203 57.966 58.200 -0.051 0.000 1.058 232 S CB -0.064 63.231 63.200 0.159 0.000 0.899 232 S HN 0.743 nan 8.310 nan 0.000 0.493 233 C N 4.350 123.638 119.300 -0.020 0.000 2.456 233 C HA 0.763 5.223 4.460 -0.001 0.000 0.325 233 C C 0.811 175.543 174.990 -0.429 0.000 1.217 233 C CA -1.151 57.725 59.018 -0.237 0.000 1.687 233 C CB 0.429 28.220 27.740 0.086 0.000 2.270 233 C HN 1.023 nan 8.230 nan 0.000 0.499 234 A N 2.204 124.413 122.820 -1.019 0.000 2.537 234 A HA 0.475 4.795 4.320 -0.001 0.000 0.260 234 A C 1.310 178.679 177.584 -0.359 0.000 1.082 234 A CA 1.070 52.619 52.037 -0.814 0.000 0.765 234 A CB -0.770 17.466 19.000 -1.273 0.000 1.019 234 A HN 2.049 nan 8.150 nan 0.000 0.507 235 G N 1.119 109.814 108.800 -0.175 0.000 2.699 235 G HA2 0.277 4.237 3.960 -0.001 0.000 0.198 235 G HA3 0.277 4.237 3.960 -0.001 0.000 0.198 235 G C 1.224 176.147 174.900 0.039 0.000 1.033 235 G CA 0.901 46.024 45.100 0.038 0.000 0.728 235 G HN 2.469 nan 8.290 nan 0.000 0.484 236 G N 0.072 108.885 108.800 0.020 0.000 3.514 236 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.197 236 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.197 236 G C 0.035 175.014 174.900 0.132 0.000 1.098 236 G CA 0.491 45.637 45.100 0.077 0.000 0.884 236 G HN 1.030 nan 8.290 nan 0.000 0.433 237 N N 1.194 119.962 118.700 0.114 0.000 2.131 237 N HA 0.179 4.919 4.740 -0.001 0.000 0.276 237 N C -0.415 175.214 175.510 0.197 0.000 1.295 237 N CA 0.692 53.828 53.050 0.143 0.000 0.818 237 N CB 0.187 38.742 38.487 0.113 0.000 1.049 237 N HN 0.434 nan 8.380 nan 0.000 0.484 238 W N 5.810 127.124 121.300 0.023 0.000 2.417 238 W HA 0.527 5.187 4.660 -0.001 0.000 0.315 238 W C -1.497 175.023 176.519 0.001 0.000 1.045 238 W CA -0.637 56.709 57.345 0.001 0.000 1.221 238 W CB 0.510 29.967 29.460 -0.005 0.000 1.309 238 W HN 0.330 nan 8.180 nan 0.000 0.453 239 I N 6.068 126.393 120.570 -0.407 0.000 2.389 239 I HA 0.221 4.391 4.170 -0.001 0.000 0.288 239 I C 0.313 176.198 176.117 -0.388 0.000 0.999 239 I CA -0.219 60.920 61.300 -0.268 0.000 1.129 239 I CB 2.288 40.190 38.000 -0.163 0.000 1.288 239 I HN 0.249 nan 8.210 nan 0.000 0.444 240 T N 3.349 117.801 114.554 -0.169 0.000 2.910 240 T HA 0.556 4.906 4.350 -0.001 0.000 0.287 240 T C 1.172 175.838 174.700 -0.058 0.000 1.050 240 T CA 0.219 62.255 62.100 -0.107 0.000 1.011 240 T CB 1.777 70.683 68.868 0.064 0.000 1.195 240 T HN 0.623 nan 8.240 nan 0.000 0.540 241 A N 1.156 123.949 122.820 -0.045 0.000 1.940 241 A HA -0.091 4.229 4.320 -0.001 0.000 0.221 241 A C 1.040 178.611 177.584 -0.022 0.000 1.190 241 A CA 2.062 54.075 52.037 -0.040 0.000 0.647 241 A CB -0.687 18.296 19.000 -0.028 0.000 0.821 241 A HN 0.820 nan 8.150 nan 0.000 0.457 242 E N 0.409 120.610 120.200 0.002 0.000 2.167 242 E HA 0.351 4.700 4.350 -0.001 0.000 0.247 242 E C -1.336 175.277 176.600 0.022 0.000 0.961 242 E CA -0.281 56.125 56.400 0.010 0.000 0.797 242 E CB -0.022 29.689 29.700 0.019 0.000 1.182 242 E HN 0.092 nan 8.360 nan 0.000 0.437 243 T N 3.217 117.777 114.554 0.010 0.000 2.985 243 T HA 0.124 4.474 4.350 -0.001 0.000 0.315 243 T C 0.404 175.111 174.700 0.012 0.000 1.001 243 T CA -0.660 61.453 62.100 0.021 0.000 1.016 243 T CB 1.392 70.269 68.868 0.016 0.000 0.993 243 T HN 0.232 nan 8.240 nan 0.000 0.454 244 E N 2.962 123.173 120.200 0.018 0.000 2.336 244 E HA -0.229 4.121 4.350 -0.001 0.000 0.247 244 E C 0.896 177.500 176.600 0.007 0.000 0.953 244 E CA 1.836 58.244 56.400 0.013 0.000 0.997 244 E CB -0.625 29.086 29.700 0.018 0.000 0.972 244 E HN 0.771 nan 8.360 nan 0.000 0.542 245 A N 0.916 123.743 122.820 0.012 0.000 2.394 245 A HA 0.480 4.800 4.320 -0.001 0.000 0.333 245 A C -2.307 175.283 177.584 0.011 0.000 1.397 245 A CA -1.521 50.521 52.037 0.009 0.000 0.884 245 A CB 0.705 19.713 19.000 0.013 0.000 1.147 245 A HN 0.044 nan 8.150 nan 0.000 0.505 246 P HA 0.133 nan 4.420 nan 0.000 0.246 246 P C 0.204 177.506 177.300 0.004 0.000 1.675 246 P CA 0.695 63.792 63.100 -0.006 0.000 0.908 246 P CB 0.407 32.089 31.700 -0.031 0.000 1.890 247 E N 0.081 120.293 120.200 0.020 0.000 2.175 247 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 247 E C 1.256 177.888 176.600 0.055 0.000 0.934 247 E CA 0.711 57.128 56.400 0.029 0.000 0.870 247 E CB -0.394 29.322 29.700 0.026 0.000 0.838 247 E HN 0.144 nan 8.360 nan 0.000 0.474 248 E N 0.958 121.196 120.200 0.063 0.000 2.533 248 E HA -0.050 4.300 4.350 -0.001 0.000 0.203 248 E C 1.404 178.075 176.600 0.119 0.000 1.101 248 E CA 0.614 57.066 56.400 0.087 0.000 0.894 248 E CB -0.447 29.300 29.700 0.078 0.000 0.843 248 E HN 0.283 nan 8.360 nan 0.000 0.552 249 A N 0.635 123.521 122.820 0.111 0.000 1.948 249 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 249 A C 1.473 179.222 177.584 0.275 0.000 1.177 249 A CA 1.014 53.147 52.037 0.160 0.000 0.636 249 A CB -0.186 18.866 19.000 0.088 0.000 0.815 249 A HN 0.295 nan 8.150 nan 0.000 0.449 250 I N 0.345 121.045 120.570 0.217 0.000 3.004 250 I HA 0.087 4.257 4.170 -0.001 0.000 0.328 250 I C 0.412 176.707 176.117 0.296 0.000 1.296 250 I CA -0.243 61.236 61.300 0.298 0.000 1.005 250 I CB 0.556 38.690 38.000 0.224 0.000 1.928 250 I HN 0.153 nan 8.210 nan 0.000 0.545 251 S N 1.732 117.574 115.700 0.237 0.000 2.643 251 S HA -0.069 4.400 4.470 -0.001 0.000 0.329 251 S C 1.218 175.962 174.600 0.240 0.000 1.193 251 S CA -0.203 58.111 58.200 0.189 0.000 1.293 251 S CB -0.086 63.195 63.200 0.134 0.000 1.205 251 S HN 0.381 nan 8.310 nan 0.000 0.550 252 D N 3.759 124.330 120.400 0.284 0.000 2.244 252 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 252 D C 1.607 178.095 176.300 0.314 0.000 1.006 252 D CA 0.999 55.222 54.000 0.372 0.000 0.888 252 D CB -0.178 40.765 40.800 0.239 0.000 0.912 252 D HN 0.582 nan 8.370 nan 0.000 0.452 253 L N 0.303 121.636 121.223 0.184 0.000 2.261 253 L HA -0.111 4.228 4.340 -0.001 0.000 0.216 253 L C 2.008 178.923 176.870 0.075 0.000 1.114 253 L CA 1.389 56.297 54.840 0.114 0.000 0.777 253 L CB -0.725 41.374 42.059 0.067 0.000 0.910 253 L HN 0.006 nan 8.230 nan 0.000 0.440 254 A N -0.909 121.959 122.820 0.078 0.000 1.865 254 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 254 A C 2.025 179.571 177.584 -0.063 0.000 1.191 254 A CA 1.808 53.822 52.037 -0.039 0.000 0.623 254 A CB -1.246 17.638 19.000 -0.192 0.000 0.826 254 A HN 0.670 nan 8.150 nan 0.000 0.444 255 W N -0.066 121.311 121.300 0.130 0.000 2.747 255 W HA -0.001 4.659 4.660 -0.000 0.000 0.244 255 W C 1.930 178.481 176.519 0.053 0.000 1.270 255 W CA 1.337 58.750 57.345 0.114 0.000 1.333 255 W CB -0.106 29.433 29.460 0.131 0.000 1.139 255 W HN 0.527 nan 8.180 nan 0.000 0.662 256 K N 0.328 120.820 120.400 0.154 0.000 2.370 256 K HA 0.007 4.327 4.320 -0.001 0.000 0.194 256 K C 1.624 178.201 176.600 -0.038 0.000 1.070 256 K CA 0.403 56.737 56.287 0.078 0.000 0.998 256 K CB 0.310 32.853 32.500 0.071 0.000 0.911 256 K HN -0.071 nan 8.250 nan 0.000 0.533 257 K N -0.471 119.813 120.400 -0.194 0.000 2.354 257 K HA 0.091 4.410 4.320 -0.001 0.000 0.194 257 K C -0.450 175.774 176.600 -0.628 0.000 1.045 257 K CA 0.294 56.318 56.287 -0.438 0.000 1.026 257 K CB 0.554 32.664 32.500 -0.650 0.000 0.866 257 K HN 0.162 nan 8.250 nan 0.000 0.530 258 H N 0.654 119.675 119.070 -0.081 0.000 2.823 258 H HA 0.193 4.748 4.556 -0.000 0.000 0.332 258 H C -0.659 174.654 175.328 -0.024 0.000 0.980 258 H CA -0.773 55.206 56.048 -0.115 0.000 1.286 258 H CB 1.405 31.056 29.762 -0.185 0.000 1.541 258 H HN -0.041 nan 8.280 nan 0.000 0.521 262 A N 1.181 123.586 122.820 -0.691 0.000 2.386 262 A HA 0.936 5.256 4.320 -0.001 0.000 0.308 262 A C -1.734 175.286 177.584 -0.941 0.000 1.128 262 A CA -0.549 51.142 52.037 -0.576 0.000 0.789 262 A CB 1.627 20.290 19.000 -0.562 0.000 1.325 262 A HN 0.441 nan 8.150 nan 0.000 0.437 263 W N 1.478 122.427 121.300 -0.585 0.000 3.042 263 W HA 0.356 5.016 4.660 -0.000 0.000 0.337 263 W C -1.126 175.120 176.519 -0.455 0.000 1.086 263 W CA -0.278 56.860 57.345 -0.345 0.000 1.236 263 W CB 1.554 31.029 29.460 0.026 0.000 1.381 263 W HN 0.710 nan 8.180 nan 0.000 0.472 264 H N 4.321 123.460 119.070 0.115 0.000 2.587 264 H HA 0.320 4.876 4.556 -0.000 0.000 0.325 264 H C -0.286 175.092 175.328 0.083 0.000 1.012 264 H CA -0.644 55.448 56.048 0.075 0.000 1.213 264 H CB 2.475 32.209 29.762 -0.047 0.000 1.431 264 H HN 0.136 nan 8.280 nan 0.000 0.492 265 L N 5.750 127.130 121.223 0.261 0.000 2.302 265 L HA 0.269 4.609 4.340 -0.001 0.000 0.285 265 L C 0.018 177.026 176.870 0.230 0.000 1.090 265 L CA -0.371 54.529 54.840 0.099 0.000 0.866 265 L CB -0.100 41.895 42.059 -0.107 0.000 1.244 265 L HN 0.439 nan 8.230 nan 0.000 0.435 266 I N 2.601 123.238 120.570 0.111 0.000 2.662 266 I HA 0.278 4.448 4.170 -0.001 0.000 0.291 266 I C 0.796 176.988 176.117 0.126 0.000 1.046 266 I CA -0.103 61.271 61.300 0.124 0.000 1.361 266 I CB 1.642 39.655 38.000 0.022 0.000 1.429 266 I HN 0.488 nan 8.210 nan 0.000 0.558 267 T N 1.085 115.705 114.554 0.109 0.000 2.907 267 T HA 0.629 4.979 4.350 -0.001 0.000 0.290 267 T C 0.746 175.473 174.700 0.044 0.000 1.066 267 T CA -0.223 61.897 62.100 0.033 0.000 1.012 267 T CB 1.727 70.569 68.868 -0.043 0.000 1.184 267 T HN 0.608 nan 8.240 nan 0.000 0.522 268 A N 1.721 124.551 122.820 0.016 0.000 1.859 268 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 268 A C 1.788 179.397 177.584 0.041 0.000 1.209 268 A CA 2.332 54.386 52.037 0.029 0.000 0.639 268 A CB -1.368 17.636 19.000 0.008 0.000 0.835 268 A HN 1.007 nan 8.150 nan 0.000 0.450 269 D N -1.060 119.360 120.400 0.032 0.000 2.352 269 D HA 0.237 4.876 4.640 -0.001 0.000 0.232 269 D C 1.069 177.413 176.300 0.072 0.000 1.055 269 D CA 0.838 54.866 54.000 0.045 0.000 0.891 269 D CB -1.143 39.679 40.800 0.037 0.000 0.897 269 D HN 1.049 nan 8.370 nan 0.000 0.529 270 G N 1.038 109.890 108.800 0.088 0.000 2.273 270 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.280 270 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.280 270 G C 0.323 175.326 174.900 0.172 0.000 1.047 270 G CA -0.056 45.117 45.100 0.121 0.000 0.869 270 G HN 0.355 nan 8.290 nan 0.000 0.502 271 Q N -0.209 119.704 119.800 0.189 0.000 2.206 271 Q HA 0.348 4.687 4.340 -0.001 0.000 0.265 271 Q C 1.461 177.655 176.000 0.323 0.000 0.866 271 Q CA 0.370 56.360 55.803 0.313 0.000 1.073 271 Q CB 0.535 29.409 28.738 0.227 0.000 1.165 271 Q HN 0.599 nan 8.270 nan 0.000 0.465 272 G N 0.510 109.511 108.800 0.334 0.000 2.481 272 G HA2 0.486 4.446 3.960 -0.001 0.000 0.251 272 G HA3 0.486 4.446 3.960 -0.001 0.000 0.251 272 G C -0.134 175.066 174.900 0.500 0.000 1.492 272 G CA -0.368 44.998 45.100 0.444 0.000 1.060 272 G HN 0.266 nan 8.290 nan 0.000 0.553 273 I N -0.489 120.359 120.570 0.464 0.000 2.499 273 I HA 0.271 4.441 4.170 -0.001 0.000 0.288 273 I C -0.596 175.695 176.117 0.290 0.000 1.048 273 I CA -0.364 61.162 61.300 0.377 0.000 1.062 273 I CB 2.535 40.755 38.000 0.368 0.000 1.238 273 I HN 0.231 nan 8.210 nan 0.000 0.426 274 T N 6.948 121.591 114.554 0.148 0.000 2.794 274 T HA 0.558 4.907 4.350 -0.001 0.000 0.280 274 T C -0.652 173.890 174.700 -0.263 0.000 0.987 274 T CA -0.325 61.759 62.100 -0.026 0.000 0.993 274 T CB 1.366 70.269 68.868 0.058 0.000 0.939 274 T HN 0.337 nan 8.240 nan 0.000 0.449 275 L N 4.776 125.738 121.223 -0.435 0.000 2.349 275 L HA 0.768 5.108 4.340 -0.001 0.000 0.278 275 L C -1.304 175.412 176.870 -0.257 0.000 0.996 275 L CA -0.618 53.919 54.840 -0.505 0.000 0.825 275 L CB 1.142 42.595 42.059 -1.011 0.000 1.243 275 L HN 0.385 nan 8.230 nan 0.000 0.412 276 V N 3.784 123.602 119.914 -0.160 0.000 2.495 276 V HA 0.380 4.499 4.120 -0.001 0.000 0.298 276 V C -0.385 175.806 176.094 0.161 0.000 1.031 276 V CA -0.696 61.628 62.300 0.040 0.000 0.871 276 V CB 1.741 33.653 31.823 0.149 0.000 0.988 276 V HN 0.776 nan 8.190 nan 0.000 0.432 277 N N 3.910 122.750 118.700 0.233 0.000 2.645 277 N HA 0.279 5.019 4.740 -0.001 0.000 0.233 277 N C 1.028 176.675 175.510 0.228 0.000 1.058 277 N CA -0.500 52.712 53.050 0.270 0.000 0.942 277 N CB 0.507 39.252 38.487 0.430 0.000 1.210 277 N HN 0.742 nan 8.380 nan 0.000 0.512 278 I N 0.229 120.892 120.570 0.156 0.000 3.083 278 I HA 0.211 4.381 4.170 -0.001 0.000 0.273 278 I C 1.113 177.267 176.117 0.062 0.000 1.297 278 I CA 0.184 61.516 61.300 0.053 0.000 1.452 278 I CB -1.068 36.869 38.000 -0.105 0.000 1.078 278 I HN 0.483 nan 8.210 nan 0.000 0.484 279 G N 1.253 110.135 108.800 0.137 0.000 2.601 279 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.252 279 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.252 279 G C -0.429 174.520 174.900 0.082 0.000 1.294 279 G CA -0.148 45.041 45.100 0.149 0.000 0.912 279 G HN 0.270 nan 8.290 nan 0.000 0.574 280 V N 1.220 121.182 119.914 0.081 0.000 2.513 280 V HA 0.839 4.959 4.120 -0.001 0.000 0.299 280 V C 0.850 176.960 176.094 0.026 0.000 1.035 280 V CA 1.040 63.371 62.300 0.053 0.000 0.889 280 V CB 0.824 32.704 31.823 0.094 0.000 0.988 280 V HN 2.736 nan 8.190 nan 0.000 0.440 281 G N 5.667 114.467 108.800 -0.000 0.000 2.653 281 G HA2 0.047 4.007 3.960 -0.001 0.000 0.656 281 G HA3 0.047 4.007 3.960 -0.001 0.000 0.656 281 G C -2.747 172.122 174.900 -0.052 0.000 1.419 281 G CA -0.488 44.607 45.100 -0.008 0.000 0.862 281 G HN 0.494 nan 8.290 nan 0.000 0.639 282 P HA -0.002 nan 4.420 nan 0.000 0.219 282 P C 2.079 179.324 177.300 -0.091 0.000 1.150 282 P CA 1.667 64.712 63.100 -0.091 0.000 0.814 282 P CB 0.213 31.868 31.700 -0.075 0.000 0.787 283 S N -0.574 115.094 115.700 -0.053 0.000 2.374 283 S HA -0.234 4.236 4.470 -0.001 0.000 0.227 283 S C 1.853 176.399 174.600 -0.089 0.000 1.037 283 S CA 1.544 59.716 58.200 -0.047 0.000 1.024 283 S CB -1.279 61.912 63.200 -0.015 0.000 0.861 283 S HN 0.338 nan 8.310 nan 0.000 0.456 284 N N 1.025 119.663 118.700 -0.104 0.000 2.135 284 N HA -0.018 4.722 4.740 -0.001 0.000 0.186 284 N C 2.042 177.422 175.510 -0.217 0.000 1.027 284 N CA 0.865 53.824 53.050 -0.151 0.000 0.849 284 N CB -0.229 38.191 38.487 -0.112 0.000 1.002 284 N HN 0.430 nan 8.380 nan 0.000 0.425 285 A N 1.724 124.400 122.820 -0.240 0.000 1.908 285 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 285 A C 2.061 179.439 177.584 -0.342 0.000 1.181 285 A CA 1.443 53.259 52.037 -0.368 0.000 0.627 285 A CB -0.479 18.305 19.000 -0.360 0.000 0.818 285 A HN 0.265 nan 8.150 nan 0.000 0.445 286 K N -0.993 119.271 120.400 -0.226 0.000 2.025 286 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 286 K C 2.060 178.564 176.600 -0.159 0.000 1.049 286 K CA 1.873 58.062 56.287 -0.162 0.000 0.933 286 K CB -0.453 31.989 32.500 -0.098 0.000 0.714 286 K HN 0.398 nan 8.250 nan 0.000 0.438 287 T N 1.809 116.259 114.554 -0.174 0.000 2.635 287 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 287 T C 1.800 176.344 174.700 -0.261 0.000 1.040 287 T CA 1.630 63.606 62.100 -0.207 0.000 1.156 287 T CB -0.284 68.454 68.868 -0.216 0.000 0.863 287 T HN 0.236 nan 8.240 nan 0.000 0.430 288 I N 0.746 121.179 120.570 -0.229 0.000 2.163 288 I HA -0.160 4.009 4.170 -0.001 0.000 0.243 288 I C 2.417 178.459 176.117 -0.125 0.000 1.085 288 I CA 1.100 62.326 61.300 -0.124 0.000 1.347 288 I CB -0.505 37.409 38.000 -0.144 0.000 1.044 288 I HN 0.314 nan 8.210 nan 0.000 0.408 289 C N 0.357 119.504 119.300 -0.256 0.000 2.435 289 C HA -0.118 4.341 4.460 -0.001 0.000 0.279 289 C C 2.381 177.374 174.990 0.005 0.000 1.321 289 C CA 0.670 59.569 59.018 -0.197 0.000 1.752 289 C CB -1.282 26.294 27.740 -0.274 0.000 1.959 289 C HN 0.521 nan 8.230 nan 0.000 0.500 290 D N 0.020 120.378 120.400 -0.070 0.000 2.158 290 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 290 D C 1.924 178.001 176.300 -0.372 0.000 0.995 290 D CA 1.454 55.353 54.000 -0.168 0.000 0.846 290 D CB -0.315 40.325 40.800 -0.267 0.000 0.941 290 D HN 0.620 nan 8.370 nan 0.000 0.456 291 H N -0.597 118.424 119.070 -0.082 0.000 2.344 291 H HA 0.050 4.605 4.556 -0.001 0.000 0.307 291 H C 2.079 177.300 175.328 -0.179 0.000 1.057 291 H CA 0.116 56.079 56.048 -0.141 0.000 1.373 291 H CB -0.813 28.921 29.762 -0.047 0.000 1.421 291 H HN 0.057 nan 8.280 nan 0.000 0.532 292 L N 1.731 123.001 121.223 0.078 0.000 2.263 292 L HA -0.088 4.252 4.340 -0.001 0.000 0.216 292 L C 2.224 179.181 176.870 0.145 0.000 1.111 292 L CA 1.447 56.359 54.840 0.120 0.000 0.773 292 L CB -0.880 41.358 42.059 0.297 0.000 0.906 292 L HN 0.214 nan 8.230 nan 0.000 0.439 293 A N -1.013 121.827 122.820 0.034 0.000 2.015 293 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 293 A C 2.246 179.673 177.584 -0.261 0.000 1.163 293 A CA 1.548 53.546 52.037 -0.065 0.000 0.646 293 A CB -1.061 17.648 19.000 -0.486 0.000 0.806 293 A HN 0.485 nan 8.150 nan 0.000 0.448 294 V N -2.251 117.347 119.914 -0.527 0.000 2.913 294 V HA -0.038 4.082 4.120 -0.001 0.000 0.260 294 V C 1.772 177.806 176.094 -0.099 0.000 1.098 294 V CA 1.600 63.596 62.300 -0.507 0.000 1.121 294 V CB -0.800 30.694 31.823 -0.549 0.000 0.714 294 V HN 0.434 nan 8.190 nan 0.000 0.487 295 L N -0.100 121.078 121.223 -0.075 0.000 2.599 295 L HA 0.272 4.612 4.340 -0.001 0.000 0.230 295 L C 0.863 177.683 176.870 -0.084 0.000 1.141 295 L CA -0.131 54.689 54.840 -0.034 0.000 0.877 295 L CB -0.381 41.610 42.059 -0.112 0.000 1.009 295 L HN 0.318 nan 8.230 nan 0.000 0.447 296 R N -1.143 119.297 120.500 -0.100 0.000 3.092 296 R HA -0.154 4.186 4.340 -0.001 0.000 0.245 296 R C -2.240 173.988 176.300 -0.121 0.000 0.881 296 R CA 0.051 56.066 56.100 -0.141 0.000 0.614 296 R CB -2.070 28.020 30.300 -0.350 0.000 1.128 296 R HN 0.251 nan 8.270 nan 0.000 0.483 297 P HA 0.064 nan 4.420 nan 0.000 0.272 297 P C 0.671 177.872 177.300 -0.166 0.000 1.254 297 P CA -0.329 62.706 63.100 -0.109 0.000 0.795 297 P CB 0.553 32.245 31.700 -0.014 0.000 1.022 298 D N -1.207 119.042 120.400 -0.253 0.000 2.355 298 D HA 0.143 4.783 4.640 -0.001 0.000 0.206 298 D C -0.083 176.074 176.300 -0.238 0.000 1.010 298 D CA 0.828 54.720 54.000 -0.181 0.000 0.875 298 D CB 0.725 41.303 40.800 -0.370 0.000 0.966 298 D HN 0.044 nan 8.370 nan 0.000 0.512 299 V N 0.879 120.653 119.914 -0.234 0.000 2.901 299 V HA 0.325 4.445 4.120 -0.001 0.000 0.257 299 V C -2.134 173.980 176.094 0.034 0.000 1.709 299 V CA -0.927 61.283 62.300 -0.149 0.000 0.926 299 V CB 1.214 33.027 31.823 -0.017 0.000 1.291 299 V HN 0.138 nan 8.190 nan 0.000 0.460 300 W N 6.715 128.069 121.300 0.090 0.000 2.702 300 W HA 0.915 5.574 4.660 -0.000 0.000 0.331 300 W C -1.762 174.840 176.519 0.139 0.000 1.049 300 W CA -1.448 55.921 57.345 0.039 0.000 1.230 300 W CB 0.809 30.308 29.460 0.067 0.000 1.408 300 W HN 0.493 nan 8.180 nan 0.000 0.492 304 G N 3.961 112.697 108.800 -0.107 0.000 2.749 304 G HA2 0.661 4.621 3.960 -0.001 0.000 0.300 304 G HA3 0.661 4.621 3.960 -0.001 0.000 0.300 304 G C -1.012 174.068 174.900 0.300 0.000 1.352 304 G CA -0.560 44.515 45.100 -0.042 0.000 0.789 304 G HN 0.648 nan 8.290 nan 0.000 0.509 305 H N -2.276 116.995 119.070 0.334 0.000 2.509 305 H HA 0.787 5.342 4.556 -0.000 0.000 0.359 305 H C 0.497 175.856 175.328 0.053 0.000 1.253 305 H CA -0.701 55.450 56.048 0.173 0.000 1.373 305 H CB 1.227 30.939 29.762 -0.083 0.000 1.555 305 H HN 1.093 nan 8.280 nan 0.000 0.586 306 C N -0.697 118.723 119.300 0.199 0.000 3.259 306 C HA 0.823 5.282 4.460 -0.001 0.000 0.344 306 C C 0.215 175.255 174.990 0.083 0.000 1.401 306 C CA -0.501 58.596 59.018 0.131 0.000 1.219 306 C CB 0.951 28.724 27.740 0.055 0.000 1.521 306 C HN 1.271 nan 8.230 nan 0.000 0.455 307 G N 0.231 109.077 108.800 0.077 0.000 2.343 307 G HA2 0.614 4.574 3.960 -0.001 0.000 0.319 307 G HA3 0.614 4.574 3.960 -0.001 0.000 0.319 307 G C 0.156 175.084 174.900 0.047 0.000 1.126 307 G CA 0.113 45.265 45.100 0.087 0.000 0.889 307 G HN 1.627 nan 8.290 nan 0.000 0.457 308 G N 0.993 109.818 108.800 0.041 0.000 2.333 308 G HA2 0.412 4.372 3.960 -0.001 0.000 0.290 308 G HA3 0.412 4.372 3.960 -0.001 0.000 0.290 308 G C 0.781 175.725 174.900 0.072 0.000 1.150 308 G CA -0.562 44.548 45.100 0.017 0.000 0.895 308 G HN 0.567 nan 8.290 nan 0.000 0.444 309 L N 1.810 123.068 121.223 0.058 0.000 2.477 309 L HA 0.234 4.573 4.340 -0.001 0.000 0.220 309 L C 1.020 178.001 176.870 0.185 0.000 1.106 309 L CA 0.037 54.957 54.840 0.134 0.000 0.851 309 L CB -0.148 41.951 42.059 0.067 0.000 0.994 309 L HN 0.261 nan 8.230 nan 0.000 0.462 310 R N 0.963 121.507 120.500 0.073 0.000 2.349 310 R HA 0.086 4.426 4.340 -0.001 0.000 0.299 310 R C 1.018 177.258 176.300 -0.099 0.000 1.027 310 R CA -0.258 55.869 56.100 0.044 0.000 0.958 310 R CB 1.212 31.510 30.300 -0.003 0.000 1.047 310 R HN 0.082 nan 8.270 nan 0.000 0.468 311 E N 1.191 121.330 120.200 -0.101 0.000 2.153 311 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 311 E C 0.877 177.322 176.600 -0.257 0.000 0.988 311 E CA 1.893 58.054 56.400 -0.398 0.000 0.811 311 E CB -0.224 29.428 29.700 -0.079 0.000 0.746 311 E HN 0.516 nan 8.360 nan 0.000 0.466 312 S N -0.609 115.013 115.700 -0.129 0.000 2.547 312 S HA -0.118 4.352 4.470 -0.001 0.000 0.235 312 S C 0.745 175.274 174.600 -0.117 0.000 0.980 312 S CA 0.141 58.279 58.200 -0.103 0.000 0.941 312 S CB -0.431 62.733 63.200 -0.060 0.000 0.763 312 S HN 0.319 nan 8.310 nan 0.000 0.532 313 Q N 0.850 120.565 119.800 -0.142 0.000 2.259 313 Q HA 0.694 5.033 4.340 -0.001 0.000 0.246 313 Q C -0.539 175.368 176.000 -0.156 0.000 0.920 313 Q CA -0.329 55.396 55.803 -0.130 0.000 0.895 313 Q CB 1.485 30.159 28.738 -0.108 0.000 1.220 313 Q HN 0.482 nan 8.270 nan 0.000 0.439 314 A N 2.613 125.345 122.820 -0.147 0.000 2.365 314 A HA 0.511 4.831 4.320 -0.001 0.000 0.318 314 A C -0.434 177.066 177.584 -0.140 0.000 1.091 314 A CA -0.806 51.130 52.037 -0.168 0.000 0.763 314 A CB 0.722 19.605 19.000 -0.196 0.000 1.248 314 A HN 0.782 nan 8.150 nan 0.000 0.442 315 I N 1.695 122.194 120.570 -0.118 0.000 2.826 315 I HA 0.176 4.346 4.170 -0.001 0.000 0.295 315 I C 1.486 177.601 176.117 -0.004 0.000 1.213 315 I CA 2.097 63.378 61.300 -0.031 0.000 1.436 315 I CB 0.215 38.237 38.000 0.037 0.000 1.348 315 I HN 1.129 nan 8.210 nan 0.000 0.570 316 G N 4.057 112.864 108.800 0.012 0.000 2.238 316 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 316 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 316 G C 0.058 174.732 174.900 -0.377 0.000 0.996 316 G CA -0.437 44.622 45.100 -0.068 0.000 0.632 316 G HN 0.567 nan 8.290 nan 0.000 0.503 317 D N 0.018 120.230 120.400 -0.313 0.000 2.361 317 D HA 0.536 5.176 4.640 -0.001 0.000 0.239 317 D C 0.199 176.198 176.300 -0.502 0.000 1.200 317 D CA 0.395 54.154 54.000 -0.400 0.000 0.915 317 D CB 0.299 40.983 40.800 -0.193 0.000 1.170 317 D HN 0.210 nan 8.370 nan 0.000 0.444 318 Y N -0.914 119.359 120.300 -0.045 0.000 2.528 318 Y HA 0.530 5.079 4.550 -0.000 0.000 0.335 318 Y C 0.141 176.022 175.900 -0.031 0.000 1.093 318 Y CA -0.979 57.087 58.100 -0.056 0.000 1.134 318 Y CB 1.419 39.848 38.460 -0.051 0.000 1.253 318 Y HN -0.079 nan 8.280 nan 0.000 0.478 319 V N 3.442 123.458 119.914 0.171 0.000 2.525 319 V HA 0.311 4.431 4.120 -0.001 0.000 0.299 319 V C -1.268 174.883 176.094 0.096 0.000 1.034 319 V CA -0.749 61.602 62.300 0.084 0.000 0.863 319 V CB 1.905 33.752 31.823 0.040 0.000 0.999 319 V HN 0.520 nan 8.190 nan 0.000 0.423 320 L N 5.417 126.679 121.223 0.066 0.000 2.264 320 L HA 0.816 5.156 4.340 -0.001 0.000 0.287 320 L C 0.629 177.506 176.870 0.012 0.000 1.039 320 L CA -0.107 54.778 54.840 0.075 0.000 0.829 320 L CB 0.860 42.988 42.059 0.115 0.000 1.211 320 L HN 0.771 nan 8.230 nan 0.000 0.427 321 A N 3.858 126.686 122.820 0.014 0.000 2.524 321 A HA 0.285 4.604 4.320 -0.001 0.000 0.250 321 A C 0.538 178.091 177.584 -0.052 0.000 1.078 321 A CA 0.421 52.399 52.037 -0.099 0.000 0.761 321 A CB -0.254 18.639 19.000 -0.178 0.000 1.012 321 A HN 0.956 nan 8.150 nan 0.000 0.500 322 H N 0.467 119.399 119.070 -0.230 0.000 3.058 322 H HA 0.622 5.177 4.556 -0.000 0.000 0.266 322 H C -0.219 174.984 175.328 -0.208 0.000 1.135 322 H CA 0.094 56.048 56.048 -0.157 0.000 1.174 322 H CB -0.477 29.231 29.762 -0.090 0.000 1.581 322 H HN 1.107 nan 8.280 nan 0.000 0.553 323 A N -0.009 122.640 122.820 -0.285 0.000 2.549 323 A HA 0.572 4.892 4.320 -0.001 0.000 0.291 323 A C -2.281 174.951 177.584 -0.586 0.000 1.034 323 A CA -0.844 50.965 52.037 -0.380 0.000 0.655 323 A CB 0.661 19.457 19.000 -0.340 0.000 1.299 323 A HN 0.149 nan 8.150 nan 0.000 0.427 324 Y N -0.642 119.634 120.300 -0.040 0.000 2.457 324 Y HA 0.604 5.153 4.550 -0.001 0.000 0.343 324 Y C -0.414 175.431 175.900 -0.091 0.000 0.994 324 Y CA -0.684 57.378 58.100 -0.064 0.000 1.031 324 Y CB 2.153 40.569 38.460 -0.075 0.000 1.246 324 Y HN 0.631 nan 8.280 nan 0.000 0.449 325 L N 4.136 125.378 121.223 0.033 0.000 2.259 325 L HA 0.504 4.844 4.340 -0.001 0.000 0.288 325 L C -0.240 176.609 176.870 -0.034 0.000 1.051 325 L CA -0.609 54.215 54.840 -0.026 0.000 0.824 325 L CB 0.373 42.383 42.059 -0.082 0.000 1.206 325 L HN 0.540 nan 8.230 nan 0.000 0.429 326 R N 3.541 124.015 120.500 -0.042 0.000 2.878 326 R HA 0.132 4.472 4.340 -0.001 0.000 0.239 326 R C -0.471 175.741 176.300 -0.148 0.000 1.515 326 R CA 0.038 56.081 56.100 -0.095 0.000 1.210 326 R CB -0.167 30.072 30.300 -0.102 0.000 1.209 326 R HN 0.548 nan 8.270 nan 0.000 0.610 327 D N 1.033 121.323 120.400 -0.183 0.000 2.722 327 D HA -0.032 4.608 4.640 -0.001 0.000 0.239 327 D C 0.331 176.340 176.300 -0.485 0.000 1.249 327 D CA 0.223 54.038 54.000 -0.308 0.000 0.830 327 D CB 0.570 41.286 40.800 -0.140 0.000 1.025 327 D HN 0.465 nan 8.370 nan 0.000 0.486 328 D N -1.292 118.879 120.400 -0.381 0.000 2.346 328 D HA -0.111 4.529 4.640 -0.001 0.000 0.206 328 D C 1.004 177.176 176.300 -0.213 0.000 1.001 328 D CA 0.351 54.188 54.000 -0.271 0.000 0.871 328 D CB -0.022 40.675 40.800 -0.173 0.000 0.943 328 D HN 0.083 nan 8.370 nan 0.000 0.518 329 H N -0.585 118.470 119.070 -0.025 0.000 5.197 329 H HA -0.224 4.332 4.556 -0.001 0.000 0.082 329 H C 1.839 177.152 175.328 -0.026 0.000 0.552 329 H CA 1.510 57.547 56.048 -0.018 0.000 1.126 329 H CB -1.596 28.163 29.762 -0.004 0.000 0.581 329 H HN 0.265 nan 8.280 nan 0.000 0.658 330 V N 1.520 121.476 119.914 0.071 0.000 2.660 330 V HA -0.176 3.943 4.120 -0.001 0.000 0.257 330 V C 2.088 178.181 176.094 -0.002 0.000 1.088 330 V CA 2.348 64.664 62.300 0.025 0.000 1.106 330 V CB -0.395 31.421 31.823 -0.011 0.000 0.686 330 V HN 0.369 nan 8.190 nan 0.000 0.481 331 L N -1.122 120.087 121.223 -0.024 0.000 2.858 331 L HA 0.233 4.572 4.340 -0.001 0.000 0.251 331 L C 1.561 178.416 176.870 -0.025 0.000 1.149 331 L CA -0.044 54.773 54.840 -0.038 0.000 0.955 331 L CB 0.151 42.162 42.059 -0.082 0.000 1.289 331 L HN 0.192 nan 8.230 nan 0.000 0.542 332 D N 1.310 121.710 120.400 -0.000 0.000 2.158 332 D HA -0.200 4.440 4.640 -0.001 0.000 0.197 332 D C 2.185 178.490 176.300 0.008 0.000 0.995 332 D CA 1.511 55.517 54.000 0.010 0.000 0.846 332 D CB 0.156 40.985 40.800 0.049 0.000 0.941 332 D HN 0.348 nan 8.370 nan 0.000 0.456 333 A N 0.490 123.317 122.820 0.012 0.000 1.835 333 A HA -0.153 4.167 4.320 -0.001 0.000 0.215 333 A C 2.432 180.021 177.584 0.008 0.000 1.199 333 A CA 2.422 54.466 52.037 0.011 0.000 0.615 333 A CB -1.033 17.975 19.000 0.014 0.000 0.838 333 A HN 0.236 nan 8.150 nan 0.000 0.444 334 V N -3.650 116.267 119.914 0.004 0.000 2.809 334 V HA 0.225 4.345 4.120 -0.001 0.000 0.256 334 V C 0.776 176.869 176.094 -0.001 0.000 1.080 334 V CA 1.369 63.671 62.300 0.003 0.000 1.102 334 V CB -0.372 31.451 31.823 -0.000 0.000 0.705 334 V HN 0.394 nan 8.190 nan 0.000 0.475 335 L N 1.574 122.790 121.223 -0.012 0.000 2.514 335 L HA 0.667 5.007 4.340 -0.001 0.000 0.257 335 L C -2.843 174.010 176.870 -0.029 0.000 1.101 335 L CA -1.930 52.900 54.840 -0.017 0.000 0.911 335 L CB 1.294 43.329 42.059 -0.040 0.000 1.162 335 L HN 0.003 nan 8.230 nan 0.000 0.477 336 P HA 0.052 nan 4.420 nan 0.000 0.264 336 P C -2.083 175.199 177.300 -0.029 0.000 1.173 336 P CA -0.543 62.550 63.100 -0.012 0.000 0.761 336 P CB 0.204 31.904 31.700 -0.001 0.000 0.794 337 P HA -0.174 nan 4.420 nan 0.000 0.223 337 P C 0.733 178.012 177.300 -0.034 0.000 1.144 337 P CA 1.365 64.445 63.100 -0.034 0.000 0.783 337 P CB -0.166 31.525 31.700 -0.014 0.000 0.771 338 D N -1.776 118.610 120.400 -0.023 0.000 2.339 338 D HA -0.035 4.605 4.640 -0.001 0.000 0.217 338 D C 0.426 176.711 176.300 -0.026 0.000 1.050 338 D CA 0.181 54.170 54.000 -0.019 0.000 0.856 338 D CB -0.197 40.599 40.800 -0.006 0.000 0.922 338 D HN 0.073 nan 8.370 nan 0.000 0.518 339 I N 3.445 123.990 120.570 -0.041 0.000 2.396 339 I HA 0.161 4.330 4.170 -0.001 0.000 0.289 339 I C -2.002 174.046 176.117 -0.114 0.000 1.056 339 I CA -2.468 58.802 61.300 -0.050 0.000 1.365 339 I CB 0.359 38.331 38.000 -0.045 0.000 1.407 339 I HN -0.120 nan 8.210 nan 0.000 0.509 340 P HA 0.229 nan 4.420 nan 0.000 0.276 340 P C -0.718 176.447 177.300 -0.225 0.000 1.243 340 P CA -0.248 62.791 63.100 -0.102 0.000 0.768 340 P CB 1.122 32.808 31.700 -0.024 0.000 0.856 341 I N 6.385 126.818 120.570 -0.229 0.000 2.337 341 I HA 0.262 4.431 4.170 -0.001 0.000 0.285 341 I C -1.278 174.872 176.117 0.054 0.000 1.041 341 I CA -2.584 58.553 61.300 -0.272 0.000 1.199 341 I CB 0.565 38.415 38.000 -0.251 0.000 1.370 341 I HN 0.269 nan 8.210 nan 0.000 0.470 342 P HA 0.333 nan 4.420 nan 0.000 0.282 342 P C -0.349 177.098 177.300 0.246 0.000 1.287 342 P CA -0.380 62.819 63.100 0.164 0.000 0.792 342 P CB 1.047 32.835 31.700 0.146 0.000 1.163 343 S N -0.247 115.524 115.700 0.118 0.000 2.578 343 S HA 0.408 4.878 4.470 -0.001 0.000 0.283 343 S C 0.236 174.821 174.600 -0.026 0.000 1.195 343 S CA -0.571 57.679 58.200 0.084 0.000 1.050 343 S CB 0.308 63.537 63.200 0.048 0.000 1.012 343 S HN 0.224 nan 8.310 nan 0.000 0.511 344 I N 3.084 123.564 120.570 -0.149 0.000 2.287 344 I HA 0.215 4.385 4.170 -0.001 0.000 0.290 344 I C 1.449 177.509 176.117 -0.095 0.000 1.069 344 I CA -0.564 60.627 61.300 -0.182 0.000 1.237 344 I CB -0.394 37.394 38.000 -0.354 0.000 1.418 344 I HN 0.806 nan 8.210 nan 0.000 0.481 345 A N 6.194 128.979 122.820 -0.058 0.000 1.909 345 A HA -0.266 4.054 4.320 -0.001 0.000 0.221 345 A C 1.999 179.563 177.584 -0.033 0.000 1.223 345 A CA 2.132 54.146 52.037 -0.039 0.000 0.658 345 A CB -0.405 18.576 19.000 -0.032 0.000 0.831 345 A HN 0.678 nan 8.150 nan 0.000 0.462 346 E N -0.442 119.735 120.200 -0.038 0.000 2.058 346 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 346 E C 1.925 178.517 176.600 -0.013 0.000 0.997 346 E CA 1.458 57.845 56.400 -0.022 0.000 0.801 346 E CB -0.618 29.067 29.700 -0.026 0.000 0.746 346 E HN 0.426 nan 8.360 nan 0.000 0.450 347 V N 1.101 120.992 119.914 -0.038 0.000 2.548 347 V HA -0.210 3.910 4.120 -0.001 0.000 0.249 347 V C 2.178 178.286 176.094 0.023 0.000 1.055 347 V CA 1.383 63.676 62.300 -0.013 0.000 1.065 347 V CB -0.507 31.285 31.823 -0.051 0.000 0.681 347 V HN 0.217 nan 8.190 nan 0.000 0.462 348 Q N 0.415 120.222 119.800 0.012 0.000 2.046 348 Q HA -0.152 4.188 4.340 -0.001 0.000 0.200 348 Q C 2.467 178.504 176.000 0.062 0.000 0.975 348 Q CA 1.575 57.401 55.803 0.039 0.000 0.836 348 Q CB -0.341 28.404 28.738 0.011 0.000 0.896 348 Q HN 0.618 nan 8.270 nan 0.000 0.428 349 R N 0.535 121.055 120.500 0.034 0.000 2.083 349 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 349 R C 2.370 178.732 176.300 0.103 0.000 1.137 349 R CA 1.341 57.477 56.100 0.060 0.000 0.951 349 R CB -0.593 29.724 30.300 0.028 0.000 0.851 349 R HN 0.240 nan 8.270 nan 0.000 0.434 350 A N 1.460 124.321 122.820 0.068 0.000 1.873 350 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 350 A C 2.096 179.721 177.584 0.069 0.000 1.193 350 A CA 1.339 53.413 52.037 0.061 0.000 0.629 350 A CB -0.567 18.462 19.000 0.048 0.000 0.826 350 A HN 0.113 nan 8.150 nan 0.000 0.447 351 L N -1.986 119.285 121.223 0.081 0.000 2.042 351 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 351 L C 2.340 179.267 176.870 0.094 0.000 1.076 351 L CA 1.907 56.792 54.840 0.075 0.000 0.749 351 L CB -1.680 40.435 42.059 0.093 0.000 0.893 351 L HN 0.598 nan 8.230 nan 0.000 0.432 352 Y N 1.108 121.409 120.300 0.001 0.000 2.070 352 Y HA -0.267 4.283 4.550 -0.001 0.000 0.279 352 Y C 2.534 178.431 175.900 -0.004 0.000 1.134 352 Y CA 1.966 60.067 58.100 0.001 0.000 1.113 352 Y CB -0.223 38.241 38.460 0.006 0.000 0.981 352 Y HN 0.271 nan 8.280 nan 0.000 0.487 353 D N -0.059 120.438 120.400 0.161 0.000 2.149 353 D HA -0.219 4.421 4.640 -0.001 0.000 0.198 353 D C 2.224 178.512 176.300 -0.020 0.000 0.990 353 D CA 1.470 55.504 54.000 0.055 0.000 0.839 353 D CB -0.665 40.186 40.800 0.085 0.000 0.948 353 D HN 0.479 nan 8.370 nan 0.000 0.460 354 A N 0.404 123.215 122.820 -0.015 0.000 1.978 354 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 354 A C 2.358 179.887 177.584 -0.093 0.000 1.170 354 A CA 2.041 54.051 52.037 -0.044 0.000 0.636 354 A CB -0.747 18.229 19.000 -0.039 0.000 0.810 354 A HN 0.235 nan 8.150 nan 0.000 0.448 355 T N -0.573 113.900 114.554 -0.135 0.000 2.857 355 T HA -0.060 4.290 4.350 -0.001 0.000 0.266 355 T C 1.934 176.543 174.700 -0.152 0.000 1.048 355 T CA 1.405 63.395 62.100 -0.184 0.000 1.139 355 T CB -0.087 68.649 68.868 -0.220 0.000 0.874 355 T HN 0.506 nan 8.240 nan 0.000 0.455 356 K N 0.711 121.001 120.400 -0.183 0.000 2.009 356 K HA -0.013 4.307 4.320 -0.001 0.000 0.210 356 K C 2.184 178.743 176.600 -0.068 0.000 1.049 356 K CA 1.183 57.385 56.287 -0.142 0.000 0.929 356 K CB -0.311 32.112 32.500 -0.129 0.000 0.714 356 K HN 0.287 nan 8.250 nan 0.000 0.440 357 L N 0.163 121.356 121.223 -0.051 0.000 1.988 357 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 357 L C 2.370 179.227 176.870 -0.022 0.000 1.071 357 L CA 0.864 55.689 54.840 -0.026 0.000 0.744 357 L CB -0.699 41.351 42.059 -0.015 0.000 0.893 357 L HN -0.023 nan 8.230 nan 0.000 0.433 358 V N 0.159 120.052 119.914 -0.035 0.000 2.407 358 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 358 V C 2.485 178.577 176.094 -0.002 0.000 1.055 358 V CA 1.995 64.280 62.300 -0.025 0.000 1.049 358 V CB -0.659 31.132 31.823 -0.053 0.000 0.662 358 V HN 0.636 nan 8.190 nan 0.000 0.455 359 S N -0.633 115.068 115.700 0.000 0.000 2.701 359 S HA 0.307 4.777 4.470 -0.001 0.000 0.220 359 S C 1.388 176.003 174.600 0.026 0.000 0.954 359 S CA 0.727 58.954 58.200 0.046 0.000 0.936 359 S CB -0.182 63.069 63.200 0.084 0.000 0.777 359 S HN 1.052 nan 8.310 nan 0.000 0.518 360 G N 2.640 111.446 108.800 0.010 0.000 2.687 360 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.303 360 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.303 360 G C -0.069 174.830 174.900 -0.001 0.000 1.209 360 G CA -0.123 44.981 45.100 0.007 0.000 0.968 360 G HN 0.696 nan 8.290 nan 0.000 0.549 361 R N 2.174 122.675 120.500 0.002 0.000 3.853 361 R HA 0.127 4.466 4.340 -0.001 0.000 0.254 361 R C -2.059 174.232 176.300 -0.016 0.000 0.565 361 R CA 0.663 56.761 56.100 -0.003 0.000 1.000 361 R CB -0.191 30.108 30.300 -0.001 0.000 0.943 361 R HN 0.356 nan 8.270 nan 0.000 0.331 362 P HA 0.373 nan 4.420 nan 0.000 0.321 362 P C 0.538 177.832 177.300 -0.011 0.000 1.304 362 P CA -0.074 63.013 63.100 -0.021 0.000 0.759 362 P CB 0.908 32.603 31.700 -0.008 0.000 1.385 363 G N 0.457 109.259 108.800 0.004 0.000 2.509 363 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.256 363 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.256 363 G C 0.405 175.329 174.900 0.040 0.000 1.152 363 G CA 0.492 45.609 45.100 0.028 0.000 0.951 363 G HN 0.641 nan 8.290 nan 0.000 0.559 364 E N 1.367 121.591 120.200 0.040 0.000 2.501 364 E HA 0.196 4.546 4.350 -0.001 0.000 0.200 364 E C 1.533 178.149 176.600 0.026 0.000 1.016 364 E CA 1.031 57.462 56.400 0.052 0.000 0.921 364 E CB 0.136 29.868 29.700 0.053 0.000 1.034 364 E HN 0.800 nan 8.360 nan 0.000 0.468 365 E N 1.047 121.251 120.200 0.007 0.000 2.107 365 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 365 E C 2.205 178.798 176.600 -0.012 0.000 0.982 365 E CA 1.580 57.979 56.400 -0.001 0.000 0.809 365 E CB -0.176 29.521 29.700 -0.004 0.000 0.756 365 E HN 0.246 nan 8.360 nan 0.000 0.459 366 V N 0.805 120.698 119.914 -0.036 0.000 2.357 366 V HA -0.354 3.766 4.120 -0.001 0.000 0.257 366 V C 1.848 177.922 176.094 -0.034 0.000 1.082 366 V CA 1.888 64.146 62.300 -0.071 0.000 1.078 366 V CB -0.779 30.916 31.823 -0.212 0.000 0.663 366 V HN 0.146 nan 8.190 nan 0.000 0.455 367 K N 0.075 120.474 120.400 -0.002 0.000 2.442 367 K HA -0.168 4.151 4.320 -0.001 0.000 0.199 367 K C 2.146 178.748 176.600 0.002 0.000 1.044 367 K CA 1.626 57.925 56.287 0.021 0.000 0.941 367 K CB -0.214 32.311 32.500 0.042 0.000 0.759 367 K HN 0.687 nan 8.250 nan 0.000 0.472 368 Q N -0.393 119.402 119.800 -0.007 0.000 2.424 368 Q HA -0.034 4.306 4.340 -0.001 0.000 0.204 368 Q C 1.712 177.694 176.000 -0.030 0.000 0.933 368 Q CA 0.589 56.380 55.803 -0.020 0.000 0.929 368 Q CB 0.323 29.050 28.738 -0.019 0.000 1.037 368 Q HN 0.045 nan 8.270 nan 0.000 0.511 369 R N -0.453 120.037 120.500 -0.017 0.000 2.435 369 R HA 0.206 4.546 4.340 -0.001 0.000 0.221 369 R C -0.724 175.585 176.300 0.015 0.000 0.885 369 R CA 0.102 56.188 56.100 -0.023 0.000 1.018 369 R CB 0.713 31.023 30.300 0.017 0.000 1.259 369 R HN 0.054 nan 8.270 nan 0.000 0.597 370 L N 1.113 122.360 121.223 0.040 0.000 2.356 370 L HA 0.621 4.961 4.340 -0.001 0.000 0.277 370 L C -1.382 175.516 176.870 0.047 0.000 0.996 370 L CA -0.811 54.074 54.840 0.076 0.000 0.822 370 L CB 1.628 43.722 42.059 0.059 0.000 1.256 370 L HN -0.032 nan 8.230 nan 0.000 0.413 371 R N 2.551 123.073 120.500 0.036 0.000 2.437 371 R HA 0.669 5.009 4.340 -0.001 0.000 0.310 371 R C -1.276 175.013 176.300 -0.019 0.000 0.955 371 R CA -0.192 55.908 56.100 0.000 0.000 0.851 371 R CB 1.536 31.819 30.300 -0.029 0.000 1.161 371 R HN 0.716 nan 8.270 nan 0.000 0.446 372 T N 3.002 117.523 114.554 -0.055 0.000 2.749 372 T HA 0.749 5.099 4.350 -0.001 0.000 0.287 372 T C -0.253 174.206 174.700 -0.400 0.000 0.970 372 T CA 0.010 62.019 62.100 -0.153 0.000 0.980 372 T CB 1.357 70.162 68.868 -0.106 0.000 0.924 372 T HN 0.774 nan 8.240 nan 0.000 0.456 373 G N 1.791 110.287 108.800 -0.506 0.000 2.490 373 G HA2 0.507 4.467 3.960 -0.001 0.000 0.308 373 G HA3 0.507 4.467 3.960 -0.001 0.000 0.308 373 G C -0.970 173.777 174.900 -0.256 0.000 1.286 373 G CA -0.699 44.014 45.100 -0.645 0.000 0.825 373 G HN 0.516 nan 8.290 nan 0.000 0.479 374 T N 0.290 114.845 114.554 0.002 0.000 2.869 374 T HA 0.520 4.870 4.350 -0.001 0.000 0.295 374 T C -0.050 174.581 174.700 -0.115 0.000 0.987 374 T CA -0.013 62.094 62.100 0.013 0.000 1.109 374 T CB 1.330 70.212 68.868 0.023 0.000 0.932 374 T HN 0.454 nan 8.240 nan 0.000 0.518 375 V N 3.944 123.761 119.914 -0.161 0.000 2.513 375 V HA 0.431 4.551 4.120 -0.001 0.000 0.299 375 V C -0.088 175.943 176.094 -0.105 0.000 1.035 375 V CA -0.792 61.432 62.300 -0.127 0.000 0.889 375 V CB 2.034 33.829 31.823 -0.047 0.000 0.988 375 V HN 0.665 nan 8.190 nan 0.000 0.440 376 V N 3.371 123.158 119.914 -0.213 0.000 2.394 376 V HA 0.454 4.573 4.120 -0.001 0.000 0.282 376 V C 0.291 176.282 176.094 -0.172 0.000 1.031 376 V CA -0.205 61.944 62.300 -0.251 0.000 0.881 376 V CB 1.627 33.125 31.823 -0.541 0.000 0.982 376 V HN 0.952 nan 8.190 nan 0.000 0.451 377 T N 3.569 118.059 114.554 -0.107 0.000 2.797 377 T HA 0.586 4.936 4.350 -0.001 0.000 0.279 377 T C -0.145 174.483 174.700 -0.120 0.000 0.991 377 T CA -0.246 61.794 62.100 -0.100 0.000 0.979 377 T CB 1.608 70.421 68.868 -0.092 0.000 0.943 377 T HN 0.825 nan 8.240 nan 0.000 0.444 378 T N 0.770 115.268 114.554 -0.094 0.000 2.896 378 T HA 0.400 4.750 4.350 -0.001 0.000 0.297 378 T C -0.274 174.421 174.700 -0.008 0.000 1.108 378 T CA -0.800 61.261 62.100 -0.064 0.000 1.004 378 T CB 1.395 70.255 68.868 -0.014 0.000 1.159 378 T HN 0.613 nan 8.240 nan 0.000 0.499 379 D N 1.235 121.647 120.400 0.020 0.000 2.340 379 D HA 0.139 4.779 4.640 -0.001 0.000 0.217 379 D C 0.013 176.388 176.300 0.125 0.000 1.081 379 D CA -0.130 53.915 54.000 0.075 0.000 0.842 379 D CB 0.211 41.077 40.800 0.111 0.000 0.934 379 D HN 0.417 nan 8.370 nan 0.000 0.511 380 D N 0.650 121.146 120.400 0.161 0.000 2.472 380 D HA 0.158 4.798 4.640 -0.001 0.000 0.234 380 D C 1.217 177.677 176.300 0.267 0.000 1.088 380 D CA -0.643 53.474 54.000 0.195 0.000 0.882 380 D CB 1.144 42.076 40.800 0.219 0.000 1.037 380 D HN -0.078 nan 8.370 nan 0.000 0.520 381 R N 3.053 123.675 120.500 0.205 0.000 2.091 381 R HA -0.031 4.309 4.340 -0.001 0.000 0.238 381 R C 0.331 176.742 176.300 0.185 0.000 1.136 381 R CA 1.113 57.352 56.100 0.232 0.000 0.959 381 R CB 0.029 30.409 30.300 0.134 0.000 0.856 381 R HN 0.243 nan 8.270 nan 0.000 0.437 382 N N 1.691 120.435 118.700 0.073 0.000 2.843 382 N HA -0.049 4.691 4.740 -0.001 0.000 0.284 382 N C 0.366 175.823 175.510 -0.089 0.000 1.274 382 N CA 0.212 53.215 53.050 -0.079 0.000 1.045 382 N CB -0.133 38.320 38.487 -0.056 0.000 1.370 382 N HN 0.491 nan 8.380 nan 0.000 0.525 383 W N 0.572 121.906 121.300 0.057 0.000 2.392 383 W HA -0.092 4.568 4.660 -0.000 0.000 0.279 383 W C 0.498 177.051 176.519 0.056 0.000 1.225 383 W CA 0.295 57.681 57.345 0.068 0.000 1.233 383 W CB -0.571 28.959 29.460 0.118 0.000 1.122 383 W HN 0.082 nan 8.180 nan 0.000 0.561 384 E N 1.577 121.140 120.200 -1.062 0.000 2.160 384 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 384 E C 2.203 178.621 176.600 -0.304 0.000 0.991 384 E CA 1.627 57.471 56.400 -0.927 0.000 0.810 384 E CB -0.781 28.309 29.700 -1.017 0.000 0.742 384 E HN 0.272 nan 8.360 nan 0.000 0.466 385 L N 0.165 121.259 121.223 -0.215 0.000 2.642 385 L HA -0.066 4.274 4.340 -0.001 0.000 0.236 385 L C 1.234 178.087 176.870 -0.028 0.000 1.169 385 L CA 0.876 55.658 54.840 -0.098 0.000 0.851 385 L CB -0.111 41.903 42.059 -0.075 0.000 0.968 385 L HN 0.060 nan 8.230 nan 0.000 0.453 386 R N -2.685 117.825 120.500 0.017 0.000 2.592 386 R HA 0.030 4.369 4.340 -0.001 0.000 0.439 386 R C 1.044 177.377 176.300 0.056 0.000 0.995 386 R CA -0.279 55.843 56.100 0.037 0.000 1.141 386 R CB 0.191 30.523 30.300 0.053 0.000 1.495 386 R HN -0.003 nan 8.270 nan 0.000 0.579 387 Y N 2.634 122.913 120.300 -0.034 0.000 2.003 387 Y HA -0.445 4.105 4.550 -0.001 0.000 0.261 387 Y C 2.397 178.239 175.900 -0.096 0.000 1.211 387 Y CA 2.342 60.422 58.100 -0.034 0.000 1.098 387 Y CB -0.699 37.742 38.460 -0.031 0.000 0.925 387 Y HN 0.165 nan 8.280 nan 0.000 0.498 388 S N 0.265 115.766 115.700 -0.331 0.000 2.393 388 S HA -0.379 4.091 4.470 -0.001 0.000 0.234 388 S C 2.237 176.633 174.600 -0.340 0.000 1.064 388 S CA 2.250 60.219 58.200 -0.384 0.000 1.088 388 S CB -1.605 61.495 63.200 -0.165 0.000 0.939 388 S HN 0.666 nan 8.310 nan 0.000 0.448 389 A N 1.388 124.081 122.820 -0.211 0.000 1.972 389 A HA 0.033 4.353 4.320 -0.001 0.000 0.219 389 A C 2.446 179.915 177.584 -0.191 0.000 1.169 389 A CA 1.785 53.732 52.037 -0.150 0.000 0.635 389 A CB -0.938 18.020 19.000 -0.071 0.000 0.810 389 A HN 0.599 nan 8.150 nan 0.000 0.446 390 S N -0.139 115.380 115.700 -0.302 0.000 2.362 390 S HA 0.117 4.587 4.470 -0.001 0.000 0.221 390 S C 2.359 176.639 174.600 -0.533 0.000 1.032 390 S CA 0.847 58.789 58.200 -0.430 0.000 0.973 390 S CB -0.600 62.178 63.200 -0.704 0.000 0.849 390 S HN 0.849 nan 8.310 nan 0.000 0.465 391 A N 2.047 124.416 122.820 -0.752 0.000 1.984 391 A HA -0.253 4.067 4.320 -0.001 0.000 0.224 391 A C 2.103 179.599 177.584 -0.147 0.000 1.256 391 A CA 2.101 53.810 52.037 -0.548 0.000 0.679 391 A CB -1.073 17.415 19.000 -0.854 0.000 0.829 391 A HN 0.430 nan 8.150 nan 0.000 0.483 392 L N -0.606 120.536 121.223 -0.135 0.000 1.994 392 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 392 L C 2.496 179.395 176.870 0.049 0.000 1.071 392 L CA 2.429 57.250 54.840 -0.032 0.000 0.745 392 L CB -0.654 41.382 42.059 -0.040 0.000 0.892 392 L HN 0.412 nan 8.230 nan 0.000 0.431 393 R N -1.723 118.824 120.500 0.079 0.000 2.081 393 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 393 R C 2.204 178.654 176.300 0.251 0.000 1.131 393 R CA 1.488 57.675 56.100 0.145 0.000 0.960 393 R CB -0.515 29.880 30.300 0.158 0.000 0.856 393 R HN 0.255 nan 8.270 nan 0.000 0.436 394 F N 1.322 121.268 119.950 -0.007 0.000 2.065 394 F HA -0.268 4.258 4.527 -0.000 0.000 0.298 394 F C 2.215 178.027 175.800 0.020 0.000 1.112 394 F CA 1.214 59.220 58.000 0.010 0.000 1.212 394 F CB -0.986 38.054 39.000 0.066 0.000 0.975 394 F HN 0.159 nan 8.300 nan 0.000 0.476 395 N N -0.006 118.837 118.700 0.238 0.000 2.142 395 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 395 N C 1.962 177.521 175.510 0.082 0.000 1.023 395 N CA 0.597 53.728 53.050 0.134 0.000 0.852 395 N CB -0.149 38.399 38.487 0.102 0.000 0.998 395 N HN 0.078 nan 8.380 nan 0.000 0.424 396 L N 1.351 122.620 121.223 0.076 0.000 2.043 396 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 396 L C 2.195 179.085 176.870 0.034 0.000 1.075 396 L CA 1.725 56.594 54.840 0.047 0.000 0.752 396 L CB -0.862 41.223 42.059 0.044 0.000 0.891 396 L HN 0.241 nan 8.230 nan 0.000 0.432 397 S N -1.500 114.219 115.700 0.033 0.000 2.605 397 S HA 0.077 4.547 4.470 -0.001 0.000 0.217 397 S C 0.655 175.255 174.600 -0.001 0.000 0.958 397 S CA -0.483 57.719 58.200 0.004 0.000 0.919 397 S CB -0.113 63.075 63.200 -0.020 0.000 0.780 397 S HN 0.408 nan 8.310 nan 0.000 0.507 398 R N 0.444 120.954 120.500 0.016 0.000 3.516 398 R HA -0.141 4.198 4.340 -0.001 0.000 0.271 398 R C 0.392 176.680 176.300 -0.020 0.000 1.098 398 R CA 0.786 56.895 56.100 0.016 0.000 0.732 398 R CB -3.077 27.240 30.300 0.029 0.000 1.152 398 R HN 0.755 nan 8.270 nan 0.000 0.455 399 A N -0.104 122.675 122.820 -0.069 0.000 2.555 399 A HA 0.241 4.561 4.320 -0.001 0.000 0.233 399 A C 1.411 178.919 177.584 -0.126 0.000 1.060 399 A CA 0.643 52.576 52.037 -0.173 0.000 0.759 399 A CB 0.714 19.465 19.000 -0.415 0.000 0.995 399 A HN 0.194 nan 8.150 nan 0.000 0.506 400 V N 0.730 120.561 119.914 -0.139 0.000 3.497 400 V HA 0.549 4.669 4.120 -0.001 0.000 0.272 400 V C 0.686 176.724 176.094 -0.094 0.000 1.474 400 V CA 1.401 63.645 62.300 -0.093 0.000 1.025 400 V CB 0.030 31.799 31.823 -0.090 0.000 0.820 400 V HN 1.517 nan 8.190 nan 0.000 0.437 401 A N -0.169 122.566 122.820 -0.142 0.000 2.599 401 A HA 0.796 5.116 4.320 -0.001 0.000 0.290 401 A C -1.816 175.645 177.584 -0.205 0.000 1.101 401 A CA -0.337 51.627 52.037 -0.121 0.000 0.674 401 A CB 1.750 20.712 19.000 -0.063 0.000 1.277 401 A HN 0.207 nan 8.150 nan 0.000 0.419 402 I N 0.813 121.278 120.570 -0.175 0.000 2.686 402 I HA 0.599 4.769 4.170 -0.001 0.000 0.295 402 I C -1.815 174.237 176.117 -0.109 0.000 1.114 402 I CA -0.361 60.791 61.300 -0.247 0.000 1.038 402 I CB 1.930 39.644 38.000 -0.476 0.000 1.238 402 I HN 0.984 nan 8.210 nan 0.000 0.420 406 S N 1.527 117.155 115.700 -0.121 0.000 2.432 406 S HA -0.382 4.087 4.470 -0.001 0.000 0.266 406 S C 2.104 176.470 174.600 -0.389 0.000 1.076 406 S CA 2.316 60.460 58.200 -0.093 0.000 1.320 406 S CB -0.900 62.388 63.200 0.146 0.000 1.222 406 S HN 0.485 nan 8.310 nan 0.000 0.439 407 A N 0.664 123.202 122.820 -0.470 0.000 1.986 407 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 407 A C 2.295 179.570 177.584 -0.515 0.000 1.171 407 A CA 2.338 53.928 52.037 -0.746 0.000 0.640 407 A CB -1.303 17.496 19.000 -0.335 0.000 0.811 407 A HN 0.604 nan 8.150 nan 0.000 0.451 408 T N 0.086 114.427 114.554 -0.355 0.000 2.770 408 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 408 T C 1.783 176.291 174.700 -0.320 0.000 1.039 408 T CA 1.221 63.143 62.100 -0.296 0.000 1.142 408 T CB -0.221 68.499 68.868 -0.247 0.000 0.868 408 T HN 0.299 nan 8.240 nan 0.000 0.435 409 I N 1.997 122.352 120.570 -0.359 0.000 2.179 409 I HA -0.098 4.072 4.170 -0.001 0.000 0.242 409 I C 2.918 178.942 176.117 -0.156 0.000 1.088 409 I CA 1.057 62.146 61.300 -0.351 0.000 1.357 409 I CB -1.706 36.087 38.000 -0.346 0.000 1.051 409 I HN 0.179 nan 8.210 nan 0.000 0.409 410 A N 0.910 123.524 122.820 -0.343 0.000 1.865 410 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 410 A C 2.583 179.727 177.584 -0.734 0.000 1.191 410 A CA 2.474 54.126 52.037 -0.641 0.000 0.623 410 A CB -1.053 17.434 19.000 -0.855 0.000 0.826 410 A HN 0.420 nan 8.150 nan 0.000 0.444 411 A N -1.318 121.198 122.820 -0.508 0.000 1.883 411 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 411 A C 2.143 179.619 177.584 -0.180 0.000 1.186 411 A CA 1.818 53.652 52.037 -0.338 0.000 0.624 411 A CB -0.556 18.270 19.000 -0.290 0.000 0.822 411 A HN 0.536 nan 8.150 nan 0.000 0.444 412 Q N -0.642 119.083 119.800 -0.125 0.000 2.084 412 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 412 Q C 2.274 178.424 176.000 0.249 0.000 0.978 412 Q CA 1.616 57.419 55.803 0.000 0.000 0.844 412 Q CB -0.968 27.851 28.738 0.135 0.000 0.898 412 Q HN 0.671 nan 8.270 nan 0.000 0.426 413 G N -0.019 109.037 108.800 0.426 0.000 2.459 413 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.217 413 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.217 413 G C 1.390 176.398 174.900 0.180 0.000 1.183 413 G CA 0.987 46.309 45.100 0.368 0.000 0.776 413 G HN 0.429 nan 8.290 nan 0.000 0.552 414 Y N 1.573 121.785 120.300 -0.147 0.000 2.114 414 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 414 Y C 3.069 178.938 175.900 -0.051 0.000 1.165 414 Y CA 2.285 60.386 58.100 0.002 0.000 1.148 414 Y CB -0.145 38.232 38.460 -0.138 0.000 0.972 414 Y HN 0.045 nan 8.280 nan 0.000 0.504 415 R N -0.925 119.549 120.500 -0.043 0.000 2.073 415 R HA -0.157 4.182 4.340 -0.001 0.000 0.234 415 R C 1.601 177.722 176.300 -0.298 0.000 1.134 415 R CA 1.720 57.654 56.100 -0.278 0.000 0.952 415 R CB -0.655 29.309 30.300 -0.560 0.000 0.850 415 R HN 0.350 nan 8.270 nan 0.000 0.433 416 F N 0.496 120.479 119.950 0.055 0.000 2.692 416 F HA 0.193 4.720 4.527 -0.001 0.000 0.303 416 F C 0.187 175.879 175.800 -0.180 0.000 1.114 416 F CA -0.393 57.601 58.000 -0.009 0.000 1.361 416 F CB -0.189 38.921 39.000 0.183 0.000 1.063 416 F HN -0.154 nan 8.300 nan 0.000 0.550 417 R N -0.318 120.162 120.500 -0.033 0.000 3.209 417 R HA -0.116 4.224 4.340 -0.001 0.000 0.252 417 R C -1.569 174.672 176.300 -0.098 0.000 0.958 417 R CA 0.090 56.142 56.100 -0.080 0.000 0.651 417 R CB -2.369 27.853 30.300 -0.129 0.000 1.142 417 R HN 0.041 nan 8.270 nan 0.000 0.441 418 V N 0.859 120.689 119.914 -0.139 0.000 2.482 418 V HA 0.370 4.490 4.120 -0.001 0.000 0.295 418 V C -2.024 173.901 176.094 -0.282 0.000 1.026 418 V CA -2.147 59.932 62.300 -0.369 0.000 0.856 418 V CB 2.399 33.663 31.823 -0.932 0.000 1.001 418 V HN 0.042 nan 8.190 nan 0.000 0.424 419 P HA 0.089 nan 4.420 nan 0.000 0.263 419 P C -1.315 175.871 177.300 -0.189 0.000 1.175 419 P CA 0.566 63.485 63.100 -0.302 0.000 0.761 419 P CB 0.030 31.515 31.700 -0.359 0.000 0.794 420 Y N 0.823 121.113 120.300 -0.016 0.000 2.609 420 Y HA 0.911 5.460 4.550 -0.001 0.000 0.342 420 Y C -0.099 175.915 175.900 0.190 0.000 1.058 420 Y CA -1.457 56.733 58.100 0.150 0.000 1.055 420 Y CB 1.195 39.824 38.460 0.281 0.000 1.292 420 Y HN 0.554 nan 8.280 nan 0.000 0.476 421 G N -0.129 108.925 108.800 0.424 0.000 2.667 421 G HA2 0.530 4.490 3.960 -0.001 0.000 0.294 421 G HA3 0.530 4.490 3.960 -0.001 0.000 0.294 421 G C -1.958 173.145 174.900 0.339 0.000 1.467 421 G CA -1.027 44.266 45.100 0.322 0.000 0.852 421 G HN 0.678 nan 8.290 nan 0.000 0.521 422 T N 0.588 115.328 114.554 0.310 0.000 2.879 422 T HA 0.568 4.918 4.350 -0.001 0.000 0.290 422 T C -1.146 173.672 174.700 0.196 0.000 0.993 422 T CA -0.298 61.963 62.100 0.269 0.000 0.975 422 T CB 1.492 70.577 68.868 0.363 0.000 0.981 422 T HN 0.602 nan 8.240 nan 0.000 0.439 423 L N 5.031 126.366 121.223 0.186 0.000 2.485 423 L HA 0.575 4.914 4.340 -0.001 0.000 0.260 423 L C -1.320 175.750 176.870 0.333 0.000 0.998 423 L CA -0.402 54.560 54.840 0.202 0.000 0.883 423 L CB 0.445 42.595 42.059 0.152 0.000 1.196 423 L HN 0.579 nan 8.230 nan 0.000 0.443 424 L N 2.847 124.229 121.223 0.264 0.000 2.400 424 L HA 0.619 4.959 4.340 -0.001 0.000 0.264 424 L C -0.316 176.661 176.870 0.179 0.000 1.061 424 L CA -0.763 54.244 54.840 0.278 0.000 0.799 424 L CB 1.724 43.880 42.059 0.162 0.000 1.240 424 L HN 0.593 nan 8.230 nan 0.000 0.461 425 C N 1.194 120.573 119.300 0.131 0.000 2.369 425 C HA 0.535 4.995 4.460 -0.001 0.000 0.322 425 C C 0.114 175.171 174.990 0.111 0.000 1.258 425 C CA -0.636 58.404 59.018 0.036 0.000 1.487 425 C CB 0.910 28.609 27.740 -0.068 0.000 2.165 425 C HN 0.499 nan 8.230 nan 0.000 0.483 426 V N 7.114 127.034 119.914 0.011 0.000 2.434 426 V HA 0.099 4.218 4.120 -0.001 0.000 0.281 426 V C 1.434 177.505 176.094 -0.039 0.000 1.005 426 V CA 1.221 63.512 62.300 -0.015 0.000 1.089 426 V CB 0.570 32.364 31.823 -0.048 0.000 0.978 426 V HN 1.061 nan 8.190 nan 0.000 0.474 427 S N 2.306 117.873 115.700 -0.221 0.000 2.535 427 S HA 0.149 4.618 4.470 -0.001 0.000 0.214 427 S C 0.308 174.762 174.600 -0.244 0.000 0.980 427 S CA 0.152 58.030 58.200 -0.537 0.000 0.907 427 S CB -0.052 62.444 63.200 -1.175 0.000 0.790 427 S HN 0.937 nan 8.310 nan 0.000 0.510 428 D N -0.344 119.987 120.400 -0.116 0.000 2.926 428 D HA 0.130 4.770 4.640 -0.001 0.000 0.272 428 D C -1.902 174.399 176.300 0.002 0.000 1.172 428 D CA -0.645 53.324 54.000 -0.053 0.000 0.731 428 D CB 0.549 41.308 40.800 -0.069 0.000 1.282 428 D HN 0.109 nan 8.370 nan 0.000 0.430 429 K N 0.962 121.379 120.400 0.029 0.000 2.592 429 K HA 0.352 4.672 4.320 -0.001 0.000 0.212 429 K C -2.143 174.538 176.600 0.134 0.000 1.013 429 K CA -1.632 54.714 56.287 0.099 0.000 1.034 429 K CB 2.193 34.728 32.500 0.058 0.000 1.292 429 K HN 0.041 nan 8.250 nan 0.000 0.521 430 P HA -0.192 nan 4.420 nan 0.000 0.216 430 P C 0.760 178.037 177.300 -0.038 0.000 1.153 430 P CA 0.895 64.029 63.100 0.056 0.000 0.858 430 P CB 0.260 32.081 31.700 0.202 0.000 0.789 431 L N -2.430 118.784 121.223 -0.015 0.000 2.610 431 L HA -0.025 4.315 4.340 -0.001 0.000 0.232 431 L C 0.354 176.885 176.870 -0.565 0.000 1.149 431 L CA 1.366 56.006 54.840 -0.334 0.000 0.872 431 L CB -1.618 40.195 42.059 -0.410 0.000 0.992 431 L HN 0.128 nan 8.230 nan 0.000 0.447 432 H N -2.016 117.021 119.070 -0.055 0.000 2.716 432 H HA 0.475 5.031 4.556 -0.001 0.000 0.230 432 H C 1.439 176.740 175.328 -0.044 0.000 1.401 432 H CA -0.125 55.897 56.048 -0.044 0.000 1.168 432 H CB 0.123 29.865 29.762 -0.034 0.000 1.935 432 H HN 0.055 nan 8.280 nan 0.000 0.538 433 G N 0.721 109.525 108.800 0.007 0.000 2.230 433 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.270 433 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.270 433 G C 0.521 175.419 174.900 -0.002 0.000 0.987 433 G CA 0.693 45.788 45.100 -0.009 0.000 0.664 433 G HN 0.571 nan 8.290 nan 0.000 0.539 434 E N 0.225 120.435 120.200 0.017 0.000 2.360 434 E HA 0.376 4.726 4.350 -0.001 0.000 0.253 434 E C 0.283 176.878 176.600 -0.007 0.000 1.189 434 E CA -0.412 55.992 56.400 0.006 0.000 1.252 434 E CB 0.122 29.828 29.700 0.009 0.000 1.408 434 E HN 0.456 nan 8.360 nan 0.000 0.464 435 I N 2.708 123.262 120.570 -0.027 0.000 2.281 435 I HA 0.136 4.306 4.170 -0.001 0.000 0.293 435 I C -0.046 176.041 176.117 -0.051 0.000 1.085 435 I CA -0.140 61.133 61.300 -0.045 0.000 1.257 435 I CB 0.349 38.306 38.000 -0.071 0.000 1.430 435 I HN -0.044 nan 8.210 nan 0.000 0.489 436 K N 6.675 127.039 120.400 -0.060 0.000 2.339 436 K HA 0.504 4.823 4.320 -0.001 0.000 0.264 436 K C -1.094 175.431 176.600 -0.126 0.000 0.986 436 K CA -0.848 55.396 56.287 -0.072 0.000 0.866 436 K CB 1.895 34.366 32.500 -0.049 0.000 1.103 436 K HN 0.302 nan 8.250 nan 0.000 0.441 437 L N 4.380 125.530 121.223 -0.121 0.000 2.367 437 L HA 0.211 4.550 4.340 -0.001 0.000 0.275 437 L C -2.118 174.608 176.870 -0.240 0.000 1.129 437 L CA -1.836 52.907 54.840 -0.162 0.000 0.839 437 L CB -0.175 41.819 42.059 -0.108 0.000 1.133 437 L HN 0.381 nan 8.230 nan 0.000 0.453 438 P HA 0.040 nan 4.420 nan 0.000 0.231 438 P C 0.800 177.859 177.300 -0.401 0.000 1.210 438 P CA 0.889 63.611 63.100 -0.630 0.000 1.332 438 P CB 0.022 31.147 31.700 -0.959 0.000 1.594 439 G N 1.100 109.779 108.800 -0.201 0.000 3.609 439 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.219 439 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.219 439 G C 0.022 174.926 174.900 0.007 0.000 0.951 439 G CA -0.459 44.628 45.100 -0.021 0.000 0.867 439 G HN 0.319 nan 8.290 nan 0.000 0.478 440 Q N 0.620 120.403 119.800 -0.027 0.000 2.500 440 Q HA 0.572 4.912 4.340 -0.001 0.000 0.215 440 Q C 0.614 176.622 176.000 0.015 0.000 1.062 440 Q CA 0.280 56.077 55.803 -0.010 0.000 0.996 440 Q CB 0.493 29.216 28.738 -0.025 0.000 1.239 440 Q HN 0.611 nan 8.270 nan 0.000 0.578 441 A N 2.373 125.199 122.820 0.011 0.000 2.993 441 A HA -0.009 4.310 4.320 -0.001 0.000 0.281 441 A C 0.232 177.832 177.584 0.026 0.000 1.847 441 A CA -0.132 51.913 52.037 0.013 0.000 1.470 441 A CB -1.161 17.839 19.000 -0.000 0.000 1.028 441 A HN 0.464 nan 8.150 nan 0.000 0.604 442 N N 1.817 120.550 118.700 0.055 0.000 2.801 442 N HA 0.105 4.845 4.740 -0.001 0.000 0.235 442 N C 1.031 176.593 175.510 0.087 0.000 1.069 442 N CA -0.325 52.781 53.050 0.094 0.000 0.946 442 N CB 0.164 38.735 38.487 0.139 0.000 1.212 442 N HN 0.681 nan 8.380 nan 0.000 0.509 443 R N 2.525 123.037 120.500 0.019 0.000 2.196 443 R HA -0.188 4.152 4.340 -0.001 0.000 0.227 443 R C 1.044 177.254 176.300 -0.150 0.000 1.108 443 R CA 2.198 58.215 56.100 -0.138 0.000 0.884 443 R CB -0.412 29.691 30.300 -0.328 0.000 0.839 443 R HN 0.446 nan 8.270 nan 0.000 0.431 444 F N -0.649 119.309 119.950 0.013 0.000 2.346 444 F HA -0.191 4.336 4.527 -0.001 0.000 0.301 444 F C 2.094 177.910 175.800 0.026 0.000 1.070 444 F CA 1.202 59.204 58.000 0.004 0.000 1.407 444 F CB -0.436 38.561 39.000 -0.005 0.000 1.072 444 F HN 0.293 nan 8.300 nan 0.000 0.543 445 Y N 0.905 121.269 120.300 0.106 0.000 2.230 445 Y HA -0.037 4.512 4.550 -0.001 0.000 0.294 445 Y C 2.286 178.217 175.900 0.052 0.000 1.120 445 Y CA 1.052 59.191 58.100 0.063 0.000 1.129 445 Y CB -0.549 37.937 38.460 0.043 0.000 1.040 445 Y HN -0.137 nan 8.280 nan 0.000 0.519 446 E N 0.282 120.365 120.200 -0.196 0.000 2.086 446 E HA -0.204 4.145 4.350 -0.001 0.000 0.200 446 E C 2.112 178.558 176.600 -0.258 0.000 1.012 446 E CA 1.444 57.692 56.400 -0.254 0.000 0.812 446 E CB -1.064 28.586 29.700 -0.083 0.000 0.743 446 E HN 0.569 nan 8.360 nan 0.000 0.453 447 G N -0.111 108.583 108.800 -0.178 0.000 3.028 447 G HA2 0.083 4.043 3.960 -0.001 0.000 0.205 447 G HA3 0.083 4.043 3.960 -0.001 0.000 0.205 447 G C 1.028 175.865 174.900 -0.104 0.000 1.182 447 G CA 0.659 45.675 45.100 -0.140 0.000 0.860 447 G HN 0.301 nan 8.290 nan 0.000 0.507 448 A N -0.611 122.119 122.820 -0.150 0.000 2.551 448 A HA 0.446 4.766 4.320 -0.001 0.000 0.252 448 A C 1.823 179.399 177.584 -0.013 0.000 1.199 448 A CA -0.239 51.769 52.037 -0.048 0.000 0.972 448 A CB 0.238 19.212 19.000 -0.043 0.000 1.153 448 A HN 0.248 nan 8.150 nan 0.000 0.559 449 I N -0.320 120.132 120.570 -0.196 0.000 2.142 449 I HA -0.225 3.944 4.170 -0.001 0.000 0.240 449 I C 2.777 178.868 176.117 -0.043 0.000 1.078 449 I CA 1.732 62.904 61.300 -0.213 0.000 1.343 449 I CB -0.198 37.506 38.000 -0.493 0.000 1.046 449 I HN 0.410 nan 8.210 nan 0.000 0.405 450 S N 0.306 115.960 115.700 -0.076 0.000 2.359 450 S HA -0.299 4.171 4.470 -0.001 0.000 0.224 450 S C 2.070 176.678 174.600 0.014 0.000 1.035 450 S CA 2.061 60.237 58.200 -0.040 0.000 1.018 450 S CB -0.325 62.846 63.200 -0.048 0.000 0.876 450 S HN 0.468 nan 8.310 nan 0.000 0.448 451 E N -0.519 119.717 120.200 0.062 0.000 2.110 451 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 451 E C 1.968 178.648 176.600 0.134 0.000 0.988 451 E CA 1.206 57.661 56.400 0.092 0.000 0.804 451 E CB -0.358 29.430 29.700 0.146 0.000 0.745 451 E HN 0.823 nan 8.360 nan 0.000 0.458 452 H N -0.178 118.965 119.070 0.122 0.000 2.256 452 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 452 H C 2.400 177.753 175.328 0.041 0.000 1.071 452 H CA 1.316 57.439 56.048 0.125 0.000 1.280 452 H CB -0.015 29.993 29.762 0.410 0.000 1.370 452 H HN 0.219 nan 8.280 nan 0.000 0.490 453 L N 1.331 122.622 121.223 0.112 0.000 2.051 453 L HA -0.251 4.089 4.340 -0.001 0.000 0.214 453 L C 2.263 179.027 176.870 -0.177 0.000 1.076 453 L CA 1.603 56.411 54.840 -0.054 0.000 0.758 453 L CB -0.756 41.320 42.059 0.029 0.000 0.890 453 L HN 0.385 nan 8.230 nan 0.000 0.433 454 Q N -0.412 119.292 119.800 -0.160 0.000 2.124 454 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 454 Q C 2.349 178.251 176.000 -0.164 0.000 0.977 454 Q CA 1.969 57.641 55.803 -0.220 0.000 0.850 454 Q CB -0.310 28.339 28.738 -0.149 0.000 0.901 454 Q HN 0.650 nan 8.270 nan 0.000 0.429 455 I N -0.223 120.270 120.570 -0.129 0.000 2.286 455 I HA -0.188 3.982 4.170 -0.001 0.000 0.248 455 I C 2.258 178.304 176.117 -0.118 0.000 1.115 455 I CA 1.119 62.339 61.300 -0.133 0.000 1.392 455 I CB -0.713 37.166 38.000 -0.202 0.000 1.065 455 I HN 0.184 nan 8.210 nan 0.000 0.418 456 G N 1.707 110.422 108.800 -0.142 0.000 2.459 456 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 456 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 456 G C 1.687 176.518 174.900 -0.115 0.000 1.183 456 G CA 0.738 45.757 45.100 -0.134 0.000 0.776 456 G HN 0.299 nan 8.290 nan 0.000 0.552 457 I N 0.377 120.842 120.570 -0.176 0.000 2.163 457 I HA -0.199 3.971 4.170 -0.001 0.000 0.243 457 I C 2.823 178.890 176.117 -0.084 0.000 1.085 457 I CA 1.519 62.716 61.300 -0.172 0.000 1.347 457 I CB -0.238 37.514 38.000 -0.414 0.000 1.044 457 I HN 0.090 nan 8.210 nan 0.000 0.408 458 R N 1.647 122.095 120.500 -0.085 0.000 2.091 458 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 458 R C 2.187 178.473 176.300 -0.024 0.000 1.136 458 R CA 1.869 57.948 56.100 -0.036 0.000 0.959 458 R CB -0.759 29.518 30.300 -0.038 0.000 0.856 458 R HN 0.383 nan 8.270 nan 0.000 0.437 459 A N 0.393 123.197 122.820 -0.028 0.000 1.933 459 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 459 A C 2.305 179.894 177.584 0.007 0.000 1.175 459 A CA 1.642 53.678 52.037 -0.001 0.000 0.628 459 A CB -0.579 18.425 19.000 0.007 0.000 0.814 459 A HN 0.384 nan 8.150 nan 0.000 0.444 460 I N -0.276 120.292 120.570 -0.003 0.000 2.142 460 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 460 I C 2.058 178.099 176.117 -0.128 0.000 1.078 460 I CA 1.582 62.870 61.300 -0.019 0.000 1.343 460 I CB -0.601 37.397 38.000 -0.004 0.000 1.046 460 I HN 0.259 nan 8.210 nan 0.000 0.405 461 D N 1.088 121.438 120.400 -0.083 0.000 2.127 461 D HA -0.211 4.428 4.640 -0.001 0.000 0.190 461 D C 2.293 178.552 176.300 -0.069 0.000 1.000 461 D CA 1.424 55.376 54.000 -0.079 0.000 0.839 461 D CB -0.537 40.262 40.800 -0.001 0.000 0.955 461 D HN 0.247 nan 8.370 nan 0.000 0.446 462 L N 0.107 121.315 121.223 -0.026 0.000 2.043 462 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 462 L C 2.608 179.483 176.870 0.008 0.000 1.075 462 L CA 0.836 55.674 54.840 -0.002 0.000 0.752 462 L CB -0.330 41.737 42.059 0.013 0.000 0.891 462 L HN 0.093 nan 8.230 nan 0.000 0.432 463 L N -1.057 120.175 121.223 0.016 0.000 2.109 463 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 463 L C 2.802 179.729 176.870 0.096 0.000 1.086 463 L CA 0.881 55.766 54.840 0.074 0.000 0.760 463 L CB -0.462 41.676 42.059 0.131 0.000 0.910 463 L HN 0.244 nan 8.230 nan 0.000 0.437 464 R N 0.474 120.928 120.500 -0.076 0.000 2.081 464 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 464 R C 2.280 178.586 176.300 0.010 0.000 1.131 464 R CA 1.457 57.469 56.100 -0.146 0.000 0.960 464 R CB -0.214 29.741 30.300 -0.576 0.000 0.856 464 R HN 0.328 nan 8.270 nan 0.000 0.436 465 A N 1.045 123.855 122.820 -0.017 0.000 2.070 465 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 465 A C 1.722 179.333 177.584 0.045 0.000 1.159 465 A CA 1.146 53.190 52.037 0.012 0.000 0.656 465 A CB -0.306 18.695 19.000 0.001 0.000 0.800 465 A HN 0.375 nan 8.150 nan 0.000 0.453 466 E N -0.558 119.681 120.200 0.065 0.000 2.401 466 E HA 0.032 4.381 4.350 -0.001 0.000 0.199 466 E C 1.599 178.260 176.600 0.102 0.000 1.023 466 E CA 0.599 57.046 56.400 0.078 0.000 0.859 466 E CB -0.418 29.335 29.700 0.088 0.000 0.780 466 E HN 0.683 nan 8.360 nan 0.000 0.523 467 G N 1.912 110.787 108.800 0.125 0.000 2.591 467 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.298 467 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.298 467 G C 0.543 175.553 174.900 0.183 0.000 1.195 467 G CA 0.606 45.789 45.100 0.138 0.000 0.989 467 G HN 0.283 nan 8.290 nan 0.000 0.551 468 D N 0.267 120.760 120.400 0.155 0.000 2.317 468 D HA 0.161 4.800 4.640 -0.001 0.000 0.211 468 D C 2.471 178.884 176.300 0.189 0.000 0.966 468 D CA 0.575 54.694 54.000 0.197 0.000 0.876 468 D CB -0.070 40.798 40.800 0.114 0.000 0.927 468 D HN 0.293 nan 8.370 nan 0.000 0.519 469 R N 0.424 120.998 120.500 0.123 0.000 2.133 469 R HA -0.145 4.195 4.340 -0.001 0.000 0.247 469 R C 1.929 178.292 176.300 0.106 0.000 1.151 469 R CA 0.499 56.651 56.100 0.088 0.000 0.971 469 R CB -0.851 29.486 30.300 0.062 0.000 0.866 469 R HN 0.194 nan 8.270 nan 0.000 0.447 470 L N 0.165 121.477 121.223 0.148 0.000 2.034 470 L HA -0.208 4.132 4.340 -0.001 0.000 0.217 470 L C -0.003 176.870 176.870 0.005 0.000 1.077 470 L CA 1.897 56.791 54.840 0.090 0.000 0.769 470 L CB -0.714 41.437 42.059 0.154 0.000 0.890 470 L HN 0.250 nan 8.230 nan 0.000 0.435 471 H N -0.321 118.810 119.070 0.102 0.000 2.800 471 H HA 0.463 5.019 4.556 -0.000 0.000 0.291 471 H C 0.535 175.896 175.328 0.055 0.000 1.076 471 H CA 0.193 56.310 56.048 0.115 0.000 1.452 471 H CB 0.463 30.407 29.762 0.303 0.000 1.461 471 H HN 0.405 nan 8.280 nan 0.000 0.488 472 S N 2.283 118.031 115.700 0.080 0.000 2.786 472 S HA 0.433 4.903 4.470 -0.001 0.000 0.307 472 S C 0.864 175.480 174.600 0.028 0.000 1.121 472 S CA -1.154 57.063 58.200 0.029 0.000 0.975 472 S CB 1.763 64.958 63.200 -0.008 0.000 1.220 472 S HN 0.666 nan 8.310 nan 0.000 0.550 473 R N 0.256 120.753 120.500 -0.005 0.000 2.320 473 R HA 0.205 4.545 4.340 -0.001 0.000 0.211 473 R C 1.320 177.605 176.300 -0.025 0.000 0.931 473 R CA -0.030 56.060 56.100 -0.017 0.000 1.071 473 R CB -0.164 30.112 30.300 -0.041 0.000 1.025 473 R HN 0.599 nan 8.270 nan 0.000 0.495 474 K N 0.546 120.936 120.400 -0.017 0.000 2.360 474 K HA -0.111 4.209 4.320 -0.001 0.000 0.201 474 K C 1.166 177.758 176.600 -0.014 0.000 1.046 474 K CA 1.014 57.296 56.287 -0.008 0.000 0.940 474 K CB 0.105 32.602 32.500 -0.005 0.000 0.748 474 K HN 0.264 nan 8.250 nan 0.000 0.465 475 L N 0.054 121.253 121.223 -0.039 0.000 2.858 475 L HA 0.157 4.496 4.340 -0.001 0.000 0.251 475 L C 0.266 177.074 176.870 -0.103 0.000 1.149 475 L CA -0.365 54.411 54.840 -0.106 0.000 0.955 475 L CB 0.272 42.278 42.059 -0.088 0.000 1.289 475 L HN -0.030 nan 8.230 nan 0.000 0.542 476 R N 1.515 121.982 120.500 -0.056 0.000 2.522 476 R HA 0.120 4.460 4.340 -0.001 0.000 0.284 476 R C 0.598 176.856 176.300 -0.070 0.000 1.032 476 R CA 0.202 56.276 56.100 -0.042 0.000 1.049 476 R CB 0.577 30.843 30.300 -0.057 0.000 0.956 476 R HN 0.135 nan 8.270 nan 0.000 0.422 477 T N -1.009 113.537 114.554 -0.013 0.000 2.849 477 T HA 0.208 4.558 4.350 -0.001 0.000 0.276 477 T C 1.066 175.799 174.700 0.055 0.000 0.971 477 T CA -0.650 61.485 62.100 0.059 0.000 0.949 477 T CB 0.410 69.347 68.868 0.115 0.000 1.093 477 T HN 0.355 nan 8.240 nan 0.000 0.545 478 F N 1.639 121.611 119.950 0.036 0.000 2.186 478 F HA 0.064 4.590 4.527 -0.001 0.000 0.299 478 F C 2.097 177.939 175.800 0.071 0.000 1.090 478 F CA 1.063 59.095 58.000 0.053 0.000 1.307 478 F CB -0.722 38.311 39.000 0.055 0.000 1.019 478 F HN 0.618 nan 8.300 nan 0.000 0.489 479 N N -0.062 118.794 118.700 0.261 0.000 2.313 479 N HA -0.007 4.732 4.740 -0.001 0.000 0.207 479 N C -0.073 175.502 175.510 0.108 0.000 1.141 479 N CA -0.055 53.108 53.050 0.189 0.000 0.830 479 N CB -0.689 37.891 38.487 0.156 0.000 1.008 479 N HN 0.013 nan 8.380 nan 0.000 0.481 480 E N 2.008 122.252 120.200 0.072 0.000 2.966 480 E HA -0.009 4.341 4.350 -0.001 0.000 0.254 480 E C -2.134 174.423 176.600 -0.073 0.000 0.923 480 E CA -0.974 55.434 56.400 0.015 0.000 0.960 480 E CB 0.141 29.845 29.700 0.008 0.000 0.901 480 E HN 0.282 nan 8.360 nan 0.000 0.525 481 P HA 0.020 nan 4.420 nan 0.000 0.269 481 P C -2.162 174.938 177.300 -0.333 0.000 1.215 481 P CA -0.904 62.017 63.100 -0.299 0.000 0.780 481 P CB 0.459 31.824 31.700 -0.558 0.000 0.898 482 P HA -0.112 nan 4.420 nan 0.000 0.215 482 P C 0.192 177.369 177.300 -0.205 0.000 1.157 482 P CA 1.233 63.969 63.100 -0.607 0.000 0.868 482 P CB -0.133 30.957 31.700 -1.016 0.000 0.788 483 F N 0.131 119.896 119.950 -0.307 0.000 2.563 483 F HA 0.101 4.627 4.527 -0.001 0.000 0.363 483 F C 1.698 177.479 175.800 -0.032 0.000 1.123 483 F CA -0.981 56.908 58.000 -0.185 0.000 1.307 483 F CB -0.768 38.171 39.000 -0.101 0.000 1.115 483 F HN -0.152 nan 8.300 nan 0.000 0.592 484 R N 0.000 120.587 120.500 0.146 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 484 R CA 0.000 56.138 56.100 0.063 0.000 0.921 484 R CB 0.000 29.937 30.300 -0.604 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535