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 1pjs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDHLPIFCQL RDRDCLIVGG GDVAERKARL LLEAGARLTV NALTFIPQFT DATA SEQUENCE VWANEGMLTL VEGPFDETLL DSCWLAIAAT DDDTVNQRVS DAAESRRIFC DATA SEQUENCE NVVDAPKAAS FIMPSIIDRS PLMVAVSXGG TSPVLARLLR EKLESLLPQH DATA SEQUENCE LGQVARYAGQ LRARVKKQFA TMGERRRFWE KFFVNDRLAQ SLANADEKAV DATA SEQUENCE NATTERLFSE PLDHRGEVVL VGAGPGDAGL LTLKGLQQIQ QADIVVYDRL DATA SEQUENCE VSDDIMNLVR RDADRVFVXX XXXXXXVPQE EINQILLREA QKGKRVVRLK DATA SEQUENCE GGDPFIFGRG GEELETLCHA GIPFSVVPGI TAASGCSAYS GIPLTHRDYA DATA SEQUENCE QSVRLVTGXX XXXXELDWEN LAAEKQTLVF YMGLNQAATI QEKLIAFGMQ DATA SEQUENCE ADMPVALVEN GTSVKQRVVH GVLTQLGELA QQVESPALII VGRVVALRDK DATA SEQUENCE LNWFSNH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.624 32.600 0.041 0.000 1.302 2 D N -0.093 120.315 120.400 0.013 0.000 2.340 2 D HA 0.139 4.779 4.640 0.000 0.000 0.220 2 D C -0.373 175.759 176.300 -0.280 0.000 1.039 2 D CA 0.961 54.907 54.000 -0.091 0.000 0.866 2 D CB -0.068 40.690 40.800 -0.069 0.000 0.913 2 D HN 0.816 nan 8.370 nan 0.000 0.523 3 H N -1.179 117.911 119.070 0.032 0.000 2.996 3 H HA 0.518 5.074 4.556 0.000 0.000 0.368 3 H C -1.552 173.791 175.328 0.025 0.000 1.185 3 H CA -0.847 55.222 56.048 0.034 0.000 1.160 3 H CB 2.231 32.013 29.762 0.034 0.000 1.820 3 H HN -0.053 nan 8.280 nan 0.000 0.547 4 L N 4.520 125.832 121.223 0.148 0.000 2.316 4 L HA 0.550 4.890 4.340 0.000 0.000 0.280 4 L C -2.360 174.542 176.870 0.054 0.000 1.006 4 L CA -1.458 53.429 54.840 0.079 0.000 0.836 4 L CB 1.027 43.115 42.059 0.049 0.000 1.221 4 L HN 0.494 nan 8.230 nan 0.000 0.418 5 P HA 0.380 nan 4.420 nan 0.000 0.280 5 P C -1.114 176.251 177.300 0.108 0.000 1.244 5 P CA -0.248 62.894 63.100 0.070 0.000 0.784 5 P CB 1.278 33.050 31.700 0.119 0.000 0.913 6 I N -1.347 119.269 120.570 0.075 0.000 2.865 6 I HA 0.534 4.704 4.170 0.000 0.000 0.302 6 I C -1.278 174.963 176.117 0.206 0.000 1.140 6 I CA -1.479 59.909 61.300 0.147 0.000 1.021 6 I CB 2.250 40.245 38.000 -0.007 0.000 1.233 6 I HN 0.059 nan 8.210 nan 0.000 0.427 7 F N 3.895 123.791 119.950 -0.090 0.000 2.308 7 F HA 0.459 4.986 4.527 0.000 0.000 0.370 7 F C 0.127 175.872 175.800 -0.092 0.000 1.100 7 F CA -0.807 57.140 58.000 -0.088 0.000 1.108 7 F CB 1.221 40.181 39.000 -0.067 0.000 1.293 7 F HN 0.490 nan 8.300 nan 0.000 0.478 8 C N 2.336 121.620 119.300 -0.028 0.000 2.536 8 C HA 0.294 4.754 4.460 0.000 0.000 0.396 8 C C 0.400 175.344 174.990 -0.078 0.000 1.279 8 C CA -0.640 58.340 59.018 -0.064 0.000 2.148 8 C CB 0.630 28.295 27.740 -0.124 0.000 2.584 8 C HN 0.581 nan 8.230 nan 0.000 0.579 9 Q N 1.998 121.736 119.800 -0.104 0.000 2.360 9 Q HA 0.424 4.764 4.340 0.000 0.000 0.254 9 Q C -0.205 175.661 176.000 -0.223 0.000 0.975 9 Q CA 0.189 55.915 55.803 -0.128 0.000 0.912 9 Q CB 0.430 29.099 28.738 -0.114 0.000 1.212 9 Q HN 0.754 nan 8.270 nan 0.000 0.452 10 L N 2.635 123.741 121.223 -0.194 0.000 2.667 10 L HA 0.360 4.700 4.340 0.000 0.000 0.232 10 L C 0.493 177.234 176.870 -0.216 0.000 1.138 10 L CA -0.395 54.304 54.840 -0.235 0.000 0.921 10 L CB 0.128 42.089 42.059 -0.162 0.000 1.180 10 L HN 0.426 nan 8.230 nan 0.000 0.487 11 R N 1.537 121.929 120.500 -0.180 0.000 2.458 11 R HA -0.051 4.289 4.340 0.000 0.000 0.303 11 R C 0.280 176.485 176.300 -0.157 0.000 1.013 11 R CA 0.579 56.596 56.100 -0.138 0.000 1.026 11 R CB -0.267 29.971 30.300 -0.103 0.000 0.948 11 R HN 0.148 nan 8.270 nan 0.000 0.417 12 D N 2.300 122.629 120.400 -0.117 0.000 3.012 12 D HA -0.227 4.413 4.640 0.000 0.000 0.222 12 D C -0.800 175.428 176.300 -0.121 0.000 1.167 12 D CA 1.134 55.079 54.000 -0.091 0.000 0.854 12 D CB -0.354 40.407 40.800 -0.065 0.000 1.107 12 D HN 0.594 nan 8.370 nan 0.000 0.421 13 R N 0.964 121.340 120.500 -0.206 0.000 2.387 13 R HA 0.243 4.583 4.340 0.000 0.000 0.314 13 R C -0.085 176.169 176.300 -0.076 0.000 0.958 13 R CA -0.784 55.134 56.100 -0.303 0.000 0.846 13 R CB 1.512 31.283 30.300 -0.882 0.000 1.147 13 R HN -0.063 nan 8.270 nan 0.000 0.447 14 D N 1.889 122.361 120.400 0.119 0.000 2.443 14 D HA 0.065 4.705 4.640 0.000 0.000 0.239 14 D C -0.178 176.231 176.300 0.181 0.000 1.136 14 D CA 0.543 54.633 54.000 0.150 0.000 0.879 14 D CB 1.007 41.916 40.800 0.181 0.000 1.195 14 D HN 0.382 nan 8.370 nan 0.000 0.443 15 C N 1.723 121.097 119.300 0.123 0.000 2.994 15 C HA 0.568 5.028 4.460 0.000 0.000 0.305 15 C C -0.727 174.334 174.990 0.119 0.000 1.251 15 C CA -0.780 58.316 59.018 0.131 0.000 1.478 15 C CB 1.715 29.508 27.740 0.089 0.000 1.922 15 C HN 0.540 nan 8.230 nan 0.000 0.472 16 L N 2.967 124.270 121.223 0.132 0.000 2.381 16 L HA 0.769 5.109 4.340 0.000 0.000 0.274 16 L C -1.120 175.814 176.870 0.107 0.000 0.988 16 L CA -0.175 54.739 54.840 0.123 0.000 0.824 16 L CB 0.990 43.133 42.059 0.140 0.000 1.263 16 L HN 0.637 nan 8.230 nan 0.000 0.410 17 I N 5.579 126.208 120.570 0.097 0.000 2.406 17 I HA 0.436 4.606 4.170 0.000 0.000 0.290 17 I C -0.832 175.306 176.117 0.035 0.000 0.999 17 I CA -0.964 60.379 61.300 0.072 0.000 1.124 17 I CB 2.016 40.081 38.000 0.109 0.000 1.289 17 I HN 0.248 nan 8.210 nan 0.000 0.441 18 V N 5.441 125.340 119.914 -0.026 0.000 2.347 18 V HA 0.871 4.991 4.120 0.000 0.000 0.280 18 V C 0.386 176.414 176.094 -0.109 0.000 1.021 18 V CA -0.215 62.039 62.300 -0.077 0.000 0.847 18 V CB 0.818 32.519 31.823 -0.204 0.000 0.990 18 V HN 1.071 nan 8.190 nan 0.000 0.444 19 G N 3.432 112.141 108.800 -0.152 0.000 2.402 19 G HA2 0.423 4.383 3.960 0.000 0.000 0.666 19 G HA3 0.423 4.383 3.960 0.000 0.000 0.666 19 G C -0.126 174.602 174.900 -0.287 0.000 1.402 19 G CA -0.262 44.725 45.100 -0.187 0.000 0.920 19 G HN 1.196 nan 8.290 nan 0.000 0.651 20 G N -0.381 108.218 108.800 -0.336 0.000 5.084 20 G HA2 0.716 4.676 3.960 0.000 0.000 0.241 20 G HA3 0.716 4.676 3.960 0.000 0.000 0.241 20 G C 0.516 175.415 174.900 -0.002 0.000 0.918 20 G CA 1.086 45.905 45.100 -0.469 0.000 0.754 20 G HN 1.463 nan 8.290 nan 0.000 0.478 21 G N -0.327 108.535 108.800 0.104 0.000 2.857 21 G HA2 0.423 4.383 3.960 0.000 0.000 0.217 21 G HA3 0.423 4.383 3.960 0.000 0.000 0.217 21 G C 0.370 175.413 174.900 0.239 0.000 1.357 21 G CA -0.133 45.064 45.100 0.161 0.000 1.033 21 G HN -0.065 nan 8.290 nan 0.000 0.571 22 D N -0.900 119.585 120.400 0.141 0.000 2.117 22 D HA -0.124 4.516 4.640 0.000 0.000 0.197 22 D C 2.730 179.100 176.300 0.117 0.000 0.987 22 D CA 0.904 54.971 54.000 0.113 0.000 0.829 22 D CB -0.204 40.633 40.800 0.063 0.000 0.961 22 D HN 0.041 nan 8.370 nan 0.000 0.460 23 V N 1.482 121.453 119.914 0.096 0.000 2.295 23 V HA -0.229 3.891 4.120 0.000 0.000 0.246 23 V C 2.570 178.741 176.094 0.127 0.000 1.049 23 V CA 1.809 64.158 62.300 0.081 0.000 1.024 23 V CB -0.824 31.024 31.823 0.042 0.000 0.648 23 V HN 0.175 nan 8.190 nan 0.000 0.447 24 A N -0.493 122.430 122.820 0.172 0.000 1.940 24 A HA -0.275 4.045 4.320 0.000 0.000 0.219 24 A C 2.323 180.168 177.584 0.436 0.000 1.176 24 A CA 1.966 54.157 52.037 0.258 0.000 0.631 24 A CB -0.519 18.614 19.000 0.223 0.000 0.814 24 A HN 0.551 nan 8.150 nan 0.000 0.446 25 E N 0.739 121.210 120.200 0.452 0.000 2.058 25 E HA -0.244 4.106 4.350 0.000 0.000 0.194 25 E C 2.262 178.994 176.600 0.221 0.000 0.997 25 E CA 1.643 58.215 56.400 0.288 0.000 0.801 25 E CB -0.271 29.476 29.700 0.078 0.000 0.746 25 E HN 0.765 nan 8.360 nan 0.000 0.450 26 R N 0.301 120.895 120.500 0.157 0.000 2.092 26 R HA -0.080 4.260 4.340 0.000 0.000 0.231 26 R C 2.303 178.663 176.300 0.100 0.000 1.119 26 R CA 1.075 57.244 56.100 0.114 0.000 0.970 26 R CB -0.425 29.919 30.300 0.074 0.000 0.864 26 R HN -0.072 nan 8.270 nan 0.000 0.440 27 K N 1.482 121.948 120.400 0.111 0.000 2.057 27 K HA 0.007 4.327 4.320 0.000 0.000 0.207 27 K C 2.188 178.832 176.600 0.073 0.000 1.049 27 K CA 1.699 58.038 56.287 0.088 0.000 0.931 27 K CB -0.521 32.036 32.500 0.096 0.000 0.714 27 K HN 0.271 nan 8.250 nan 0.000 0.440 28 A N 0.444 123.333 122.820 0.117 0.000 1.972 28 A HA -0.187 4.133 4.320 0.000 0.000 0.219 28 A C 2.131 179.595 177.584 -0.199 0.000 1.169 28 A CA 1.676 53.722 52.037 0.015 0.000 0.635 28 A CB -0.432 18.674 19.000 0.176 0.000 0.810 28 A HN 0.244 nan 8.150 nan 0.000 0.446 29 R N -0.564 119.891 120.500 -0.074 0.000 2.081 29 R HA -0.063 4.277 4.340 0.000 0.000 0.235 29 R C 1.964 178.215 176.300 -0.082 0.000 1.131 29 R CA 1.550 57.611 56.100 -0.064 0.000 0.960 29 R CB -0.345 30.035 30.300 0.133 0.000 0.856 29 R HN 0.559 nan 8.270 nan 0.000 0.436 30 L N -0.004 121.196 121.223 -0.039 0.000 2.044 30 L HA -0.175 4.165 4.340 0.000 0.000 0.205 30 L C 2.195 179.023 176.870 -0.070 0.000 1.075 30 L CA 0.661 55.476 54.840 -0.041 0.000 0.747 30 L CB -0.397 41.652 42.059 -0.018 0.000 0.903 30 L HN 0.178 nan 8.230 nan 0.000 0.435 31 L N -0.349 120.833 121.223 -0.068 0.000 2.042 31 L HA -0.239 4.101 4.340 0.000 0.000 0.210 31 L C 2.398 179.193 176.870 -0.125 0.000 1.076 31 L CA 1.768 56.562 54.840 -0.077 0.000 0.749 31 L CB -0.655 41.378 42.059 -0.044 0.000 0.893 31 L HN 0.156 nan 8.230 nan 0.000 0.432 32 L N -1.122 119.981 121.223 -0.201 0.000 2.046 32 L HA -0.213 4.127 4.340 0.000 0.000 0.208 32 L C 2.389 179.164 176.870 -0.159 0.000 1.077 32 L CA 1.257 55.948 54.840 -0.248 0.000 0.747 32 L CB -0.577 41.197 42.059 -0.475 0.000 0.896 32 L HN 0.350 nan 8.230 nan 0.000 0.432 33 E N 0.224 120.351 120.200 -0.121 0.000 2.268 33 E HA -0.144 4.206 4.350 0.000 0.000 0.195 33 E C 1.969 178.531 176.600 -0.064 0.000 0.995 33 E CA 0.909 57.266 56.400 -0.070 0.000 0.836 33 E CB -0.086 29.588 29.700 -0.043 0.000 0.763 33 E HN 0.477 nan 8.360 nan 0.000 0.491 34 A N 0.572 123.346 122.820 -0.077 0.000 2.251 34 A HA 0.276 4.596 4.320 0.000 0.000 0.209 34 A C 1.656 179.191 177.584 -0.081 0.000 1.187 34 A CA 0.635 52.627 52.037 -0.075 0.000 0.823 34 A CB -0.237 18.712 19.000 -0.085 0.000 0.846 34 A HN 0.290 nan 8.150 nan 0.000 0.486 35 G N -1.445 107.303 108.800 -0.087 0.000 2.160 35 G HA2 0.091 4.051 3.960 0.000 0.000 0.244 35 G HA3 0.091 4.051 3.960 0.000 0.000 0.244 35 G C 0.375 175.218 174.900 -0.094 0.000 1.022 35 G CA 0.401 45.450 45.100 -0.085 0.000 0.741 35 G HN 1.521 nan 8.290 nan 0.000 0.508 36 A N -0.427 122.333 122.820 -0.100 0.000 2.351 36 A HA 0.729 5.049 4.320 0.000 0.000 0.257 36 A C 0.826 178.366 177.584 -0.073 0.000 1.087 36 A CA -0.055 51.927 52.037 -0.092 0.000 0.798 36 A CB 0.393 19.347 19.000 -0.076 0.000 1.033 36 A HN 0.565 nan 8.150 nan 0.000 0.488 37 R N 1.895 122.364 120.500 -0.051 0.000 2.308 37 R HA 0.346 4.686 4.340 0.000 0.000 0.325 37 R C -0.857 175.443 176.300 -0.000 0.000 1.161 37 R CA -0.106 55.980 56.100 -0.024 0.000 1.022 37 R CB -0.057 30.239 30.300 -0.007 0.000 1.091 37 R HN 0.724 nan 8.270 nan 0.000 0.497 38 L N 2.712 123.929 121.223 -0.010 0.000 2.357 38 L HA 0.450 4.790 4.340 0.000 0.000 0.273 38 L C -0.501 176.397 176.870 0.047 0.000 1.080 38 L CA -0.167 54.682 54.840 0.016 0.000 0.803 38 L CB 2.066 44.114 42.059 -0.018 0.000 1.174 38 L HN 0.569 nan 8.230 nan 0.000 0.443 39 T N 2.665 117.265 114.554 0.076 0.000 2.921 39 T HA 0.454 4.804 4.350 0.000 0.000 0.297 39 T C -0.877 173.895 174.700 0.120 0.000 1.013 39 T CA -0.347 61.809 62.100 0.093 0.000 0.990 39 T CB 1.971 70.895 68.868 0.093 0.000 1.023 39 T HN 0.229 nan 8.240 nan 0.000 0.447 40 V N 4.041 124.041 119.914 0.144 0.000 2.444 40 V HA 0.478 4.598 4.120 0.000 0.000 0.294 40 V C 0.004 176.238 176.094 0.234 0.000 1.022 40 V CA -0.988 61.413 62.300 0.168 0.000 0.850 40 V CB 1.530 33.461 31.823 0.180 0.000 0.992 40 V HN 0.879 nan 8.190 nan 0.000 0.426 41 N N 3.471 122.258 118.700 0.145 0.000 2.444 41 N HA 0.746 5.487 4.740 0.000 0.000 0.262 41 N C -0.706 174.765 175.510 -0.064 0.000 0.974 41 N CA -0.114 53.012 53.050 0.127 0.000 0.933 41 N CB 1.458 40.042 38.487 0.161 0.000 1.137 41 N HN 0.874 nan 8.380 nan 0.000 0.498 42 A N 3.188 125.850 122.820 -0.263 0.000 2.589 42 A HA 0.285 4.605 4.320 0.000 0.000 0.296 42 A C -0.004 177.250 177.584 -0.549 0.000 1.062 42 A CA -0.561 51.124 52.037 -0.586 0.000 0.686 42 A CB 1.164 19.509 19.000 -1.092 0.000 1.282 42 A HN 0.551 nan 8.150 nan 0.000 0.404 43 L N 0.798 121.815 121.223 -0.344 0.000 2.046 43 L HA 0.084 4.424 4.340 0.000 0.000 0.208 43 L C 1.113 177.841 176.870 -0.236 0.000 1.077 43 L CA 2.397 57.114 54.840 -0.204 0.000 0.747 43 L CB -0.540 41.442 42.059 -0.127 0.000 0.896 43 L HN 0.820 nan 8.230 nan 0.000 0.432 44 T N -1.996 112.347 114.554 -0.351 0.000 2.901 44 T HA 0.516 4.867 4.350 0.000 0.000 0.293 44 T C -1.242 173.204 174.700 -0.424 0.000 1.084 44 T CA -0.352 61.609 62.100 -0.232 0.000 1.008 44 T CB 1.944 70.757 68.868 -0.092 0.000 1.170 44 T HN -0.255 nan 8.240 nan 0.000 0.509 45 F N 1.433 121.385 119.950 0.002 0.000 2.556 45 F HA 0.585 5.112 4.527 0.000 0.000 0.314 45 F C 0.289 176.165 175.800 0.126 0.000 1.106 45 F CA -1.335 56.684 58.000 0.032 0.000 0.911 45 F CB 1.248 40.273 39.000 0.042 0.000 1.190 45 F HN 0.521 nan 8.300 nan 0.000 0.448 46 I N 1.104 121.940 120.570 0.444 0.000 2.886 46 I HA 0.452 4.622 4.170 0.000 0.000 0.299 46 I C -1.934 174.331 176.117 0.245 0.000 1.044 46 I CA -1.927 59.543 61.300 0.283 0.000 1.310 46 I CB 0.919 39.056 38.000 0.230 0.000 1.441 46 I HN 0.348 nan 8.210 nan 0.000 0.578 47 P HA -0.291 nan 4.420 nan 0.000 0.219 47 P C 1.457 178.698 177.300 -0.098 0.000 1.161 47 P CA 1.862 64.964 63.100 0.003 0.000 0.909 47 P CB -0.002 31.677 31.700 -0.035 0.000 0.793 48 Q N -1.322 118.332 119.800 -0.243 0.000 2.152 48 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 48 Q C 1.841 177.478 176.000 -0.605 0.000 0.985 48 Q CA 1.708 57.155 55.803 -0.594 0.000 0.863 48 Q CB -0.982 27.219 28.738 -0.894 0.000 0.904 48 Q HN 0.199 nan 8.270 nan 0.000 0.422 49 F N -0.551 119.341 119.950 -0.096 0.000 2.134 49 F HA -0.198 4.329 4.527 0.000 0.000 0.299 49 F C 2.338 178.135 175.800 -0.005 0.000 1.097 49 F CA 1.603 59.669 58.000 0.109 0.000 1.264 49 F CB -0.561 38.551 39.000 0.187 0.000 1.001 49 F HN 0.087 nan 8.300 nan 0.000 0.479 50 T N -0.443 114.165 114.554 0.090 0.000 2.746 50 T HA -0.162 4.188 4.350 0.000 0.000 0.267 50 T C 2.217 176.912 174.700 -0.009 0.000 1.039 50 T CA 1.348 63.453 62.100 0.008 0.000 1.142 50 T CB -0.643 68.226 68.868 0.002 0.000 0.866 50 T HN 0.012 nan 8.240 nan 0.000 0.444 51 V N 0.199 120.058 119.914 -0.091 0.000 2.287 51 V HA -0.179 3.941 4.120 0.000 0.000 0.248 51 V C 2.313 178.390 176.094 -0.028 0.000 1.053 51 V CA 1.454 63.677 62.300 -0.128 0.000 1.027 51 V CB -0.591 31.060 31.823 -0.287 0.000 0.646 51 V HN 0.599 nan 8.190 nan 0.000 0.447 52 W N -0.121 121.156 121.300 -0.039 0.000 2.374 52 W HA -0.087 4.573 4.660 0.000 0.000 0.288 52 W C 2.637 179.149 176.519 -0.012 0.000 1.218 52 W CA 1.364 58.692 57.345 -0.028 0.000 1.245 52 W CB -1.104 28.337 29.460 -0.032 0.000 1.126 52 W HN 0.338 nan 8.180 nan 0.000 0.545 53 A N 1.317 124.259 122.820 0.204 0.000 1.972 53 A HA -0.234 4.086 4.320 0.000 0.000 0.219 53 A C 1.500 179.121 177.584 0.063 0.000 1.169 53 A CA 1.987 54.083 52.037 0.097 0.000 0.635 53 A CB -0.997 18.015 19.000 0.020 0.000 0.810 53 A HN 0.452 nan 8.150 nan 0.000 0.446 54 N N -0.457 118.276 118.700 0.055 0.000 2.280 54 N HA 0.090 4.830 4.740 0.000 0.000 0.192 54 N C 0.686 176.223 175.510 0.044 0.000 1.109 54 N CA 0.609 53.681 53.050 0.037 0.000 0.855 54 N CB 0.153 38.651 38.487 0.018 0.000 0.974 54 N HN 0.632 nan 8.380 nan 0.000 0.482 55 E N -0.128 120.115 120.200 0.071 0.000 2.481 55 E HA 0.184 4.534 4.350 0.000 0.000 0.198 55 E C 0.495 177.132 176.600 0.062 0.000 1.027 55 E CA 0.003 56.446 56.400 0.070 0.000 0.900 55 E CB 0.266 30.029 29.700 0.105 0.000 0.993 55 E HN 0.357 nan 8.360 nan 0.000 0.482 56 G N 2.098 110.935 108.800 0.062 0.000 2.198 56 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 56 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 56 G C 0.699 175.620 174.900 0.034 0.000 1.042 56 G CA 0.528 45.654 45.100 0.043 0.000 0.791 56 G HN 0.220 nan 8.290 nan 0.000 0.502 57 M N -1.274 118.356 119.600 0.049 0.000 2.556 57 M HA 0.391 4.871 4.480 0.000 0.000 0.245 57 M C 0.806 177.076 176.300 -0.049 0.000 1.128 57 M CA 0.953 56.245 55.300 -0.015 0.000 1.069 57 M CB 0.063 32.637 32.600 -0.043 0.000 1.469 57 M HN 0.621 nan 8.290 nan 0.000 0.494 58 L N -4.958 116.272 121.223 0.012 0.000 3.041 58 L HA 0.626 4.966 4.340 0.000 0.000 0.278 58 L C -0.995 175.901 176.870 0.044 0.000 1.051 58 L CA -0.827 54.025 54.840 0.019 0.000 0.957 58 L CB 1.286 43.359 42.059 0.022 0.000 1.538 58 L HN -0.362 nan 8.230 nan 0.000 0.393 59 T N 1.401 115.983 114.554 0.046 0.000 2.863 59 T HA 0.808 5.159 4.350 0.000 0.000 0.285 59 T C -0.704 174.016 174.700 0.032 0.000 1.009 59 T CA -0.384 61.737 62.100 0.035 0.000 0.989 59 T CB 1.366 70.257 68.868 0.038 0.000 1.004 59 T HN 0.577 nan 8.240 nan 0.000 0.455 60 L N 2.528 123.740 121.223 -0.019 0.000 2.346 60 L HA 0.732 5.072 4.340 0.000 0.000 0.276 60 L C -0.815 176.080 176.870 0.041 0.000 1.006 60 L CA -1.168 53.628 54.840 -0.074 0.000 0.817 60 L CB 1.938 43.739 42.059 -0.429 0.000 1.272 60 L HN 0.327 nan 8.230 nan 0.000 0.421 61 V N 2.155 122.184 119.914 0.191 0.000 2.349 61 V HA 0.245 4.365 4.120 0.000 0.000 0.284 61 V C -0.155 176.116 176.094 0.295 0.000 1.014 61 V CA -0.600 61.811 62.300 0.185 0.000 0.826 61 V CB 1.573 33.478 31.823 0.138 0.000 1.009 61 V HN 0.724 nan 8.190 nan 0.000 0.431 62 E N 3.432 123.792 120.200 0.267 0.000 2.229 62 E HA 0.626 4.976 4.350 0.000 0.000 0.283 62 E C 0.384 177.052 176.600 0.113 0.000 1.030 62 E CA 0.657 57.219 56.400 0.271 0.000 0.836 62 E CB 1.208 31.069 29.700 0.267 0.000 1.068 62 E HN 1.010 nan 8.360 nan 0.000 0.401 63 G N 3.957 112.784 108.800 0.045 0.000 2.347 63 G HA2 -0.077 3.883 3.960 0.000 0.000 0.341 63 G HA3 -0.077 3.883 3.960 0.000 0.000 0.341 63 G C -2.862 172.045 174.900 0.011 0.000 1.287 63 G CA -0.775 44.338 45.100 0.021 0.000 0.984 63 G HN 0.497 nan 8.290 nan 0.000 0.526 64 P HA 0.312 nan 4.420 nan 0.000 0.271 64 P C -0.028 177.331 177.300 0.099 0.000 1.244 64 P CA -0.287 62.840 63.100 0.045 0.000 0.793 64 P CB 0.421 32.139 31.700 0.030 0.000 0.984 65 F N 1.114 121.048 119.950 -0.028 0.000 2.578 65 F HA 0.048 4.575 4.527 0.000 0.000 0.381 65 F C 0.397 176.192 175.800 -0.008 0.000 1.069 65 F CA -0.109 57.879 58.000 -0.019 0.000 1.231 65 F CB 0.208 39.196 39.000 -0.020 0.000 1.086 65 F HN 0.143 nan 8.300 nan 0.000 0.564 66 D N 5.630 125.735 120.400 -0.492 0.000 2.414 66 D HA 0.075 4.715 4.640 0.000 0.000 0.232 66 D C 0.752 176.510 176.300 -0.904 0.000 1.070 66 D CA -0.329 53.336 54.000 -0.559 0.000 0.839 66 D CB 1.378 42.058 40.800 -0.200 0.000 1.079 66 D HN 0.782 nan 8.370 nan 0.000 0.521 67 E N 1.752 121.378 120.200 -0.956 0.000 2.209 67 E HA -0.215 4.135 4.350 0.000 0.000 0.196 67 E C 1.223 177.692 176.600 -0.219 0.000 0.993 67 E CA 1.571 57.606 56.400 -0.609 0.000 0.819 67 E CB 0.285 29.787 29.700 -0.331 0.000 0.745 67 E HN 0.584 nan 8.360 nan 0.000 0.477 68 T N -1.543 112.903 114.554 -0.181 0.000 3.085 68 T HA -0.001 4.349 4.350 0.000 0.000 0.263 68 T C 1.784 176.468 174.700 -0.027 0.000 1.127 68 T CA 0.263 62.317 62.100 -0.077 0.000 1.103 68 T CB -0.195 68.633 68.868 -0.067 0.000 0.921 68 T HN 0.160 nan 8.240 nan 0.000 0.510 69 L N 0.026 121.237 121.223 -0.020 0.000 2.549 69 L HA 0.220 4.560 4.340 0.000 0.000 0.229 69 L C 2.178 179.101 176.870 0.089 0.000 1.158 69 L CA 0.575 55.444 54.840 0.048 0.000 0.842 69 L CB -0.382 41.727 42.059 0.083 0.000 0.952 69 L HN 0.311 nan 8.230 nan 0.000 0.452 70 L N -0.989 120.289 121.223 0.092 0.000 2.529 70 L HA -0.026 4.314 4.340 0.000 0.000 0.223 70 L C 1.513 178.417 176.870 0.058 0.000 1.113 70 L CA 0.100 55.003 54.840 0.106 0.000 0.861 70 L CB -0.202 41.940 42.059 0.138 0.000 1.012 70 L HN 0.209 nan 8.230 nan 0.000 0.461 71 D N -0.039 120.380 120.400 0.032 0.000 2.351 71 D HA -0.125 4.515 4.640 0.000 0.000 0.216 71 D C 1.751 178.054 176.300 0.005 0.000 0.968 71 D CA 1.463 55.468 54.000 0.008 0.000 0.899 71 D CB 0.219 41.018 40.800 -0.002 0.000 0.907 71 D HN 0.395 nan 8.370 nan 0.000 0.514 72 S N -1.473 114.248 115.700 0.034 0.000 2.666 72 S HA 0.137 4.607 4.470 0.000 0.000 0.239 72 S C 0.669 175.329 174.600 0.100 0.000 1.031 72 S CA -0.650 57.580 58.200 0.049 0.000 1.015 72 S CB -0.111 63.133 63.200 0.072 0.000 0.981 72 S HN 0.032 nan 8.310 nan 0.000 0.547 73 C N 1.336 120.694 119.300 0.096 0.000 2.443 73 C HA 0.471 4.931 4.460 0.000 0.000 0.369 73 C C 0.910 175.994 174.990 0.155 0.000 1.241 73 C CA -0.370 58.757 59.018 0.182 0.000 2.413 73 C CB -0.288 27.550 27.740 0.162 0.000 2.451 73 C HN 0.759 nan 8.230 nan 0.000 0.595 74 W N 0.336 121.667 121.300 0.052 0.000 2.915 74 W HA 0.514 5.174 4.660 0.000 0.000 0.276 74 W C 0.097 176.665 176.519 0.082 0.000 1.215 74 W CA -0.028 57.351 57.345 0.056 0.000 1.514 74 W CB 0.056 29.538 29.460 0.037 0.000 1.017 74 W HN 0.329 nan 8.180 nan 0.000 0.598 75 L N 0.143 121.552 121.223 0.310 0.000 2.472 75 L HA 0.723 5.063 4.340 0.000 0.000 0.260 75 L C -0.664 176.351 176.870 0.243 0.000 0.963 75 L CA -1.069 53.930 54.840 0.265 0.000 0.829 75 L CB 1.836 44.010 42.059 0.192 0.000 1.348 75 L HN -0.296 nan 8.230 nan 0.000 0.408 76 A N 4.041 127.026 122.820 0.275 0.000 2.356 76 A HA 0.883 5.203 4.320 0.000 0.000 0.310 76 A C -1.104 176.583 177.584 0.172 0.000 1.075 76 A CA -0.389 51.760 52.037 0.187 0.000 0.746 76 A CB 1.353 20.434 19.000 0.135 0.000 1.221 76 A HN 0.611 nan 8.150 nan 0.000 0.443 77 I N 1.790 122.417 120.570 0.095 0.000 2.466 77 I HA 0.537 4.707 4.170 0.000 0.000 0.289 77 I C 0.274 176.369 176.117 -0.036 0.000 1.026 77 I CA -0.574 60.741 61.300 0.026 0.000 1.078 77 I CB 2.157 40.196 38.000 0.065 0.000 1.249 77 I HN 0.728 nan 8.210 nan 0.000 0.429 78 A N 5.053 127.820 122.820 -0.088 0.000 2.249 78 A HA 0.797 5.117 4.320 0.000 0.000 0.314 78 A C 0.180 177.709 177.584 -0.092 0.000 1.290 78 A CA -0.336 51.628 52.037 -0.122 0.000 0.893 78 A CB 0.723 19.630 19.000 -0.155 0.000 1.165 78 A HN 0.847 nan 8.150 nan 0.000 0.530 79 A N 2.996 125.770 122.820 -0.076 0.000 2.992 79 A HA 0.541 4.861 4.320 0.000 0.000 0.263 79 A C 0.571 178.121 177.584 -0.057 0.000 0.928 79 A CA 0.331 52.340 52.037 -0.048 0.000 1.061 79 A CB -0.548 18.452 19.000 -0.001 0.000 1.173 79 A HN 1.123 nan 8.150 nan 0.000 0.482 80 T N -2.707 111.798 114.554 -0.081 0.000 2.862 80 T HA 0.436 4.786 4.350 0.000 0.000 0.276 80 T C 0.414 175.078 174.700 -0.059 0.000 0.974 80 T CA 0.263 62.314 62.100 -0.082 0.000 0.966 80 T CB 1.144 69.953 68.868 -0.098 0.000 1.072 80 T HN 0.237 nan 8.240 nan 0.000 0.538 81 D N -1.454 118.914 120.400 -0.053 0.000 2.340 81 D HA 0.088 4.728 4.640 0.000 0.000 0.217 81 D C -0.130 176.148 176.300 -0.037 0.000 1.081 81 D CA -0.195 53.782 54.000 -0.038 0.000 0.842 81 D CB -0.062 40.719 40.800 -0.032 0.000 0.934 81 D HN 0.535 nan 8.370 nan 0.000 0.511 82 D N 0.917 121.289 120.400 -0.045 0.000 2.460 82 D HA 0.078 4.718 4.640 0.000 0.000 0.232 82 D C 0.184 176.458 176.300 -0.044 0.000 1.079 82 D CA -0.374 53.602 54.000 -0.039 0.000 0.864 82 D CB 1.296 42.073 40.800 -0.038 0.000 1.048 82 D HN -0.256 nan 8.370 nan 0.000 0.523 83 D N 1.783 122.162 120.400 -0.036 0.000 2.228 83 D HA -0.128 4.512 4.640 0.000 0.000 0.203 83 D C 1.538 177.816 176.300 -0.036 0.000 0.988 83 D CA 1.199 55.177 54.000 -0.037 0.000 0.864 83 D CB 0.330 41.114 40.800 -0.027 0.000 0.928 83 D HN 0.409 nan 8.370 nan 0.000 0.469 84 T N -0.200 114.337 114.554 -0.028 0.000 2.857 84 T HA -0.035 4.315 4.350 0.000 0.000 0.266 84 T C 2.164 176.850 174.700 -0.024 0.000 1.048 84 T CA 0.388 62.476 62.100 -0.019 0.000 1.139 84 T CB 0.047 68.910 68.868 -0.008 0.000 0.874 84 T HN -0.004 nan 8.240 nan 0.000 0.455 85 V N 2.448 122.339 119.914 -0.038 0.000 2.548 85 V HA -0.093 4.027 4.120 0.000 0.000 0.249 85 V C 2.340 178.346 176.094 -0.147 0.000 1.055 85 V CA 1.120 63.384 62.300 -0.060 0.000 1.065 85 V CB -0.516 31.270 31.823 -0.061 0.000 0.681 85 V HN 0.435 nan 8.190 nan 0.000 0.462 86 N N 1.076 119.699 118.700 -0.129 0.000 2.120 86 N HA -0.209 4.531 4.740 0.000 0.000 0.188 86 N C 1.995 177.424 175.510 -0.134 0.000 1.024 86 N CA 1.809 54.767 53.050 -0.154 0.000 0.852 86 N CB -0.343 38.078 38.487 -0.110 0.000 1.003 86 N HN 0.801 nan 8.380 nan 0.000 0.424 87 Q N 0.543 120.294 119.800 -0.081 0.000 2.311 87 Q HA 0.069 4.409 4.340 0.000 0.000 0.203 87 Q C 1.706 177.687 176.000 -0.032 0.000 0.954 87 Q CA 0.611 56.383 55.803 -0.051 0.000 0.885 87 Q CB -0.065 28.656 28.738 -0.028 0.000 0.963 87 Q HN 0.202 nan 8.270 nan 0.000 0.471 88 R N 0.453 120.939 120.500 -0.023 0.000 2.115 88 R HA -0.047 4.294 4.340 0.000 0.000 0.230 88 R C 2.224 178.564 176.300 0.066 0.000 1.111 88 R CA 1.322 57.464 56.100 0.069 0.000 0.976 88 R CB -0.124 30.272 30.300 0.159 0.000 0.870 88 R HN 0.156 nan 8.270 nan 0.000 0.445 89 V N 0.891 120.669 119.914 -0.227 0.000 2.270 89 V HA -0.230 3.890 4.120 0.000 0.000 0.245 89 V C 2.392 178.424 176.094 -0.104 0.000 1.043 89 V CA 2.185 64.229 62.300 -0.427 0.000 1.014 89 V CB -0.440 30.987 31.823 -0.659 0.000 0.645 89 V HN 0.442 nan 8.190 nan 0.000 0.447 90 S N -0.456 115.194 115.700 -0.083 0.000 2.447 90 S HA -0.199 4.271 4.470 0.000 0.000 0.233 90 S C 1.534 176.139 174.600 0.008 0.000 1.006 90 S CA 1.408 59.592 58.200 -0.027 0.000 0.957 90 S CB -0.419 62.761 63.200 -0.034 0.000 0.773 90 S HN 0.600 nan 8.310 nan 0.000 0.507 91 D N 2.003 122.416 120.400 0.023 0.000 2.194 91 D HA 0.198 4.838 4.640 0.000 0.000 0.204 91 D C 2.175 178.508 176.300 0.055 0.000 0.964 91 D CA 1.149 55.170 54.000 0.034 0.000 0.846 91 D CB -0.373 40.450 40.800 0.038 0.000 0.962 91 D HN 0.560 nan 8.370 nan 0.000 0.490 92 A N 1.058 123.942 122.820 0.106 0.000 1.929 92 A HA 0.085 4.405 4.320 0.000 0.000 0.216 92 A C 2.276 179.914 177.584 0.090 0.000 1.176 92 A CA 1.624 53.741 52.037 0.132 0.000 0.628 92 A CB -0.383 18.790 19.000 0.288 0.000 0.816 92 A HN 0.206 nan 8.150 nan 0.000 0.444 93 A N -0.048 122.820 122.820 0.080 0.000 1.873 93 A HA -0.119 4.201 4.320 0.000 0.000 0.215 93 A C 1.966 179.553 177.584 0.006 0.000 1.186 93 A CA 1.909 53.978 52.037 0.053 0.000 0.616 93 A CB -0.500 18.537 19.000 0.061 0.000 0.823 93 A HN 0.577 nan 8.150 nan 0.000 0.442 94 E N 0.593 120.793 120.200 -0.000 0.000 2.110 94 E HA -0.170 4.180 4.350 0.000 0.000 0.193 94 E C 2.066 178.644 176.600 -0.037 0.000 0.988 94 E CA 1.776 58.158 56.400 -0.030 0.000 0.804 94 E CB -0.236 29.454 29.700 -0.016 0.000 0.745 94 E HN 0.667 nan 8.360 nan 0.000 0.458 95 S N -0.415 115.276 115.700 -0.016 0.000 2.474 95 S HA -0.080 4.390 4.470 0.000 0.000 0.235 95 S C 1.575 176.156 174.600 -0.033 0.000 0.997 95 S CA 0.583 58.771 58.200 -0.020 0.000 0.949 95 S CB -0.137 63.060 63.200 -0.004 0.000 0.766 95 S HN 0.266 nan 8.310 nan 0.000 0.517 96 R N 0.427 120.905 120.500 -0.037 0.000 2.432 96 R HA 0.369 4.709 4.340 0.000 0.000 0.260 96 R C -0.193 176.054 176.300 -0.090 0.000 0.935 96 R CA -0.278 55.791 56.100 -0.053 0.000 1.080 96 R CB 0.121 30.400 30.300 -0.034 0.000 1.155 96 R HN 0.286 nan 8.270 nan 0.000 0.531 97 R N 0.990 121.425 120.500 -0.108 0.000 3.336 97 R HA -0.159 4.181 4.340 0.000 0.000 0.260 97 R C -0.795 175.377 176.300 -0.213 0.000 1.032 97 R CA 0.630 56.624 56.100 -0.177 0.000 0.693 97 R CB -1.982 28.218 30.300 -0.166 0.000 1.134 97 R HN 0.283 nan 8.270 nan 0.000 0.433 98 I N 1.170 121.652 120.570 -0.147 0.000 2.362 98 I HA 0.247 4.417 4.170 0.000 0.000 0.289 98 I C 0.677 176.779 176.117 -0.023 0.000 0.994 98 I CA -0.930 60.329 61.300 -0.069 0.000 1.158 98 I CB 0.799 38.811 38.000 0.019 0.000 1.315 98 I HN -0.115 nan 8.210 nan 0.000 0.451 99 F N 5.319 125.342 119.950 0.122 0.000 2.608 99 F HA 0.023 4.550 4.527 0.000 0.000 0.380 99 F C 0.672 176.692 175.800 0.367 0.000 1.083 99 F CA 0.468 58.602 58.000 0.223 0.000 1.266 99 F CB 0.428 39.512 39.000 0.140 0.000 1.076 99 F HN 0.424 nan 8.300 nan 0.000 0.574 100 C N 6.396 126.043 119.300 0.578 0.000 2.797 100 C HA 0.527 4.987 4.460 0.000 0.000 0.306 100 C C -0.804 174.150 174.990 -0.059 0.000 1.207 100 C CA -0.803 58.401 59.018 0.310 0.000 1.507 100 C CB 1.262 29.079 27.740 0.129 0.000 2.028 100 C HN 0.898 nan 8.230 nan 0.000 0.475 101 N N 3.357 121.827 118.700 -0.382 0.000 2.258 101 N HA 0.613 5.353 4.740 0.000 0.000 0.299 101 N C -1.726 173.608 175.510 -0.294 0.000 1.047 101 N CA -0.237 52.437 53.050 -0.626 0.000 0.814 101 N CB 2.150 39.895 38.487 -1.237 0.000 1.413 101 N HN 0.531 nan 8.380 nan 0.000 0.478 102 V N 3.990 123.775 119.914 -0.216 0.000 2.328 102 V HA 0.141 4.261 4.120 0.000 0.000 0.278 102 V C 1.630 177.645 176.094 -0.131 0.000 1.021 102 V CA -0.568 61.648 62.300 -0.141 0.000 0.838 102 V CB 1.192 32.955 31.823 -0.101 0.000 0.999 102 V HN 0.579 nan 8.190 nan 0.000 0.447 103 V N 3.698 123.545 119.914 -0.112 0.000 2.278 103 V HA -0.227 3.893 4.120 0.000 0.000 0.251 103 V C 1.843 177.898 176.094 -0.065 0.000 1.062 103 V CA 2.572 64.820 62.300 -0.086 0.000 1.038 103 V CB -0.395 31.396 31.823 -0.054 0.000 0.646 103 V HN 1.139 nan 8.190 nan 0.000 0.447 104 D N -0.471 119.897 120.400 -0.054 0.000 2.358 104 D HA 0.357 4.997 4.640 0.000 0.000 0.224 104 D C 0.318 176.595 176.300 -0.039 0.000 1.123 104 D CA 0.659 54.635 54.000 -0.041 0.000 0.833 104 D CB 0.205 40.986 40.800 -0.032 0.000 0.946 104 D HN 0.419 nan 8.370 nan 0.000 0.505 105 A N 1.579 124.370 122.820 -0.049 0.000 3.127 105 A HA 0.409 4.729 4.320 0.000 0.000 0.319 105 A C -2.000 175.557 177.584 -0.045 0.000 1.104 105 A CA -0.903 51.110 52.037 -0.040 0.000 0.802 105 A CB 1.218 20.194 19.000 -0.040 0.000 1.193 105 A HN -0.038 nan 8.150 nan 0.000 0.479 106 P HA -0.113 nan 4.420 nan 0.000 0.221 106 P C 0.909 178.218 177.300 0.014 0.000 1.150 106 P CA 1.022 64.103 63.100 -0.032 0.000 0.800 106 P CB 0.305 31.986 31.700 -0.031 0.000 0.787 107 K N -0.502 119.908 120.400 0.018 0.000 2.432 107 K HA 0.175 4.495 4.320 0.000 0.000 0.196 107 K C 1.198 177.816 176.600 0.029 0.000 1.038 107 K CA 0.037 56.346 56.287 0.036 0.000 0.986 107 K CB 0.071 32.584 32.500 0.022 0.000 0.782 107 K HN 0.132 nan 8.250 nan 0.000 0.485 108 A N 0.720 123.546 122.820 0.010 0.000 2.269 108 A HA 0.729 5.049 4.320 0.000 0.000 0.327 108 A C 0.226 177.814 177.584 0.007 0.000 1.112 108 A CA -0.032 52.007 52.037 0.004 0.000 0.865 108 A CB 0.658 19.649 19.000 -0.015 0.000 1.227 108 A HN 0.226 nan 8.150 nan 0.000 0.498 109 A N -0.505 122.321 122.820 0.011 0.000 5.953 109 A HA -0.085 4.235 4.320 0.000 0.000 0.267 109 A C 1.236 178.873 177.584 0.089 0.000 2.116 109 A CA 1.734 53.787 52.037 0.026 0.000 0.711 109 A CB -1.970 17.021 19.000 -0.016 0.000 1.100 109 A HN 2.401 nan 8.150 nan 0.000 0.364 110 S N -1.443 114.354 115.700 0.163 0.000 2.578 110 S HA 0.571 5.041 4.470 0.000 0.000 0.228 110 S C 0.049 174.957 174.600 0.513 0.000 1.022 110 S CA 0.934 59.336 58.200 0.337 0.000 0.967 110 S CB 0.073 63.501 63.200 0.380 0.000 0.914 110 S HN 2.228 nan 8.310 nan 0.000 0.515 111 F N 1.039 121.122 119.950 0.222 0.000 2.641 111 F HA 0.761 5.288 4.527 0.000 0.000 0.308 111 F C -1.667 174.153 175.800 0.032 0.000 1.105 111 F CA -1.916 56.156 58.000 0.121 0.000 0.964 111 F CB 0.966 39.987 39.000 0.034 0.000 1.294 111 F HN 0.082 nan 8.300 nan 0.000 0.442 112 I N 2.088 122.686 120.570 0.048 0.000 2.441 112 I HA 0.610 4.780 4.170 0.000 0.000 0.295 112 I C -0.822 175.336 176.117 0.068 0.000 0.994 112 I CA -1.124 60.099 61.300 -0.129 0.000 1.144 112 I CB 1.915 39.791 38.000 -0.205 0.000 1.314 112 I HN 0.805 nan 8.210 nan 0.000 0.445 113 M N 8.518 128.118 119.600 0.000 0.000 2.143 113 M HA 0.437 4.917 4.480 0.000 0.000 0.348 113 M C -2.302 173.995 176.300 -0.004 0.000 1.375 113 M CA -1.736 53.620 55.300 0.092 0.000 1.124 113 M CB 0.281 32.922 32.600 0.067 0.000 1.669 113 M HN 0.501 nan 8.290 nan 0.000 0.469 114 P HA 0.347 nan 4.420 nan 0.000 0.278 114 P C -1.150 176.124 177.300 -0.044 0.000 1.266 114 P CA -0.580 62.489 63.100 -0.051 0.000 0.807 114 P CB 0.806 32.464 31.700 -0.069 0.000 1.094 115 S N 0.175 115.854 115.700 -0.036 0.000 2.565 115 S HA 0.347 4.817 4.470 0.000 0.000 0.276 115 S C 0.546 175.127 174.600 -0.033 0.000 1.326 115 S CA -0.340 57.844 58.200 -0.027 0.000 1.045 115 S CB -0.093 63.096 63.200 -0.018 0.000 0.918 115 S HN 0.262 nan 8.310 nan 0.000 0.505 116 I N 2.474 123.025 120.570 -0.031 0.000 2.530 116 I HA 0.466 4.636 4.170 0.000 0.000 0.297 116 I C -0.723 175.386 176.117 -0.013 0.000 1.011 116 I CA -0.646 60.635 61.300 -0.033 0.000 1.107 116 I CB 1.564 39.533 38.000 -0.050 0.000 1.285 116 I HN 0.451 nan 8.210 nan 0.000 0.436 117 I N 4.398 124.967 120.570 -0.001 0.000 2.420 117 I HA 0.224 4.394 4.170 0.000 0.000 0.282 117 I C -0.765 175.361 176.117 0.015 0.000 1.019 117 I CA -0.412 60.891 61.300 0.006 0.000 1.130 117 I CB 1.295 39.300 38.000 0.009 0.000 1.262 117 I HN 0.422 nan 8.210 nan 0.000 0.454 118 D N 5.849 126.255 120.400 0.011 0.000 2.295 118 D HA 0.321 4.961 4.640 0.000 0.000 0.248 118 D C 0.097 176.410 176.300 0.021 0.000 1.154 118 D CA -0.212 53.799 54.000 0.018 0.000 0.857 118 D CB 1.029 41.836 40.800 0.012 0.000 1.117 118 D HN 0.250 nan 8.370 nan 0.000 0.468 119 R N 1.354 121.874 120.500 0.033 0.000 2.579 119 R HA 0.170 4.510 4.340 0.000 0.000 0.386 119 R C -0.530 175.801 176.300 0.052 0.000 1.065 119 R CA -0.442 55.681 56.100 0.038 0.000 1.143 119 R CB 0.080 30.399 30.300 0.033 0.000 1.357 119 R HN 0.166 nan 8.270 nan 0.000 0.644 120 S N 2.404 118.134 115.700 0.051 0.000 2.643 120 S HA -0.037 4.433 4.470 0.000 0.000 0.310 120 S C -1.264 173.375 174.600 0.065 0.000 1.253 120 S CA -0.164 58.068 58.200 0.055 0.000 1.047 120 S CB 0.601 63.828 63.200 0.045 0.000 0.767 120 S HN 0.323 nan 8.310 nan 0.000 0.498 121 P HA 0.038 nan 4.420 nan 0.000 0.241 121 P C 0.210 177.541 177.300 0.051 0.000 1.191 121 P CA 0.163 63.295 63.100 0.054 0.000 0.771 121 P CB 0.154 31.883 31.700 0.048 0.000 0.929 122 L N 1.079 122.333 121.223 0.051 0.000 2.367 122 L HA 0.316 4.656 4.340 0.000 0.000 0.275 122 L C -0.307 176.601 176.870 0.063 0.000 1.129 122 L CA 0.351 55.214 54.840 0.037 0.000 0.839 122 L CB 0.043 42.120 42.059 0.030 0.000 1.133 122 L HN -0.039 nan 8.230 nan 0.000 0.453 123 M N 5.015 124.672 119.600 0.096 0.000 2.433 123 M HA 0.454 4.934 4.480 0.000 0.000 0.290 123 M C -1.119 175.303 176.300 0.204 0.000 1.173 123 M CA -0.699 54.699 55.300 0.164 0.000 0.905 123 M CB 2.591 35.343 32.600 0.253 0.000 1.692 123 M HN 0.210 nan 8.290 nan 0.000 0.462 124 V N 1.666 121.663 119.914 0.138 0.000 2.604 124 V HA 0.904 5.024 4.120 0.000 0.000 0.305 124 V C -0.593 175.555 176.094 0.090 0.000 1.043 124 V CA -0.694 61.681 62.300 0.125 0.000 0.888 124 V CB 1.785 33.642 31.823 0.057 0.000 0.995 124 V HN 0.939 nan 8.190 nan 0.000 0.429 125 A N 3.668 126.550 122.820 0.104 0.000 2.365 125 A HA 0.918 5.238 4.320 0.000 0.000 0.318 125 A C -1.139 176.458 177.584 0.021 0.000 1.091 125 A CA -0.709 51.338 52.037 0.017 0.000 0.763 125 A CB 2.029 20.992 19.000 -0.061 0.000 1.248 125 A HN 1.070 nan 8.150 nan 0.000 0.442 126 V N 1.484 121.395 119.914 -0.005 0.000 2.760 126 V HA 0.876 4.997 4.120 0.000 0.000 0.309 126 V C -0.393 175.689 176.094 -0.020 0.000 1.077 126 V CA 0.332 62.630 62.300 -0.003 0.000 0.910 126 V CB 1.988 33.812 31.823 0.001 0.000 1.008 126 V HN 1.446 nan 8.190 nan 0.000 0.424 130 G N -0.251 108.542 108.800 -0.012 0.000 2.195 130 G HA2 -0.262 3.698 3.960 0.000 0.000 0.224 130 G HA3 -0.262 3.698 3.960 0.000 0.000 0.224 130 G C 1.212 176.116 174.900 0.006 0.000 0.990 130 G CA 1.077 46.173 45.100 -0.006 0.000 0.639 130 G HN 0.758 nan 8.290 nan 0.000 0.514 131 T N 0.238 114.802 114.554 0.017 0.000 2.821 131 T HA 0.210 4.560 4.350 0.000 0.000 0.267 131 T C 1.340 176.047 174.700 0.011 0.000 1.046 131 T CA 1.881 63.992 62.100 0.019 0.000 1.139 131 T CB -0.064 68.821 68.868 0.029 0.000 0.871 131 T HN 0.482 nan 8.240 nan 0.000 0.454 132 S N 0.592 116.297 115.700 0.008 0.000 2.512 132 S HA 0.229 4.699 4.470 0.000 0.000 0.161 132 S C -1.961 172.639 174.600 0.000 0.000 1.383 132 S CA -0.810 57.393 58.200 0.005 0.000 1.248 132 S CB 1.310 64.515 63.200 0.008 0.000 1.488 132 S HN 0.237 nan 8.310 nan 0.000 0.382 133 P HA -0.146 nan 4.420 nan 0.000 0.218 133 P C 1.422 178.718 177.300 -0.005 0.000 1.150 133 P CA 0.992 64.087 63.100 -0.008 0.000 0.841 133 P CB 0.115 31.809 31.700 -0.010 0.000 0.784 134 V N -0.169 119.743 119.914 -0.003 0.000 2.427 134 V HA -0.192 3.928 4.120 0.000 0.000 0.248 134 V C 2.633 178.727 176.094 -0.001 0.000 1.051 134 V CA 1.407 63.706 62.300 -0.002 0.000 1.048 134 V CB -1.155 30.668 31.823 -0.000 0.000 0.666 134 V HN 0.039 nan 8.190 nan 0.000 0.456 135 L N 1.064 122.288 121.223 0.001 0.000 2.046 135 L HA -0.083 4.257 4.340 0.000 0.000 0.208 135 L C 2.358 179.229 176.870 0.001 0.000 1.077 135 L CA 2.521 57.362 54.840 0.002 0.000 0.747 135 L CB -0.944 41.118 42.059 0.005 0.000 0.896 135 L HN 0.216 nan 8.230 nan 0.000 0.432 136 A N -0.728 122.091 122.820 -0.002 0.000 1.968 136 A HA -0.160 4.160 4.320 0.000 0.000 0.217 136 A C 2.512 180.092 177.584 -0.005 0.000 1.169 136 A CA 1.416 53.451 52.037 -0.005 0.000 0.638 136 A CB -0.530 18.463 19.000 -0.011 0.000 0.812 136 A HN 0.495 nan 8.150 nan 0.000 0.446 137 R N -1.172 119.325 120.500 -0.005 0.000 2.093 137 R HA 0.020 4.360 4.340 0.000 0.000 0.224 137 R C 1.663 177.961 176.300 -0.003 0.000 1.101 137 R CA 0.773 56.870 56.100 -0.005 0.000 0.979 137 R CB -0.217 30.081 30.300 -0.005 0.000 0.877 137 R HN 0.371 nan 8.270 nan 0.000 0.441 138 L N 0.600 121.822 121.223 -0.002 0.000 2.093 138 L HA -0.078 4.262 4.340 0.000 0.000 0.208 138 L C 1.989 178.859 176.870 -0.001 0.000 1.085 138 L CA 1.508 56.347 54.840 -0.001 0.000 0.755 138 L CB -0.560 41.499 42.059 0.000 0.000 0.904 138 L HN 0.245 nan 8.230 nan 0.000 0.435 139 L N -1.414 119.809 121.223 -0.000 0.000 2.093 139 L HA -0.178 4.162 4.340 0.000 0.000 0.208 139 L C 2.719 179.588 176.870 -0.000 0.000 1.085 139 L CA 0.877 55.717 54.840 0.001 0.000 0.755 139 L CB -0.476 41.584 42.059 0.002 0.000 0.904 139 L HN 0.250 nan 8.230 nan 0.000 0.435 140 R N 0.557 121.056 120.500 -0.002 0.000 2.091 140 R HA -0.190 4.150 4.340 0.000 0.000 0.238 140 R C 2.123 178.421 176.300 -0.003 0.000 1.136 140 R CA 1.708 57.806 56.100 -0.003 0.000 0.959 140 R CB -0.066 30.232 30.300 -0.005 0.000 0.856 140 R HN 0.452 nan 8.270 nan 0.000 0.437 141 E N 0.265 120.463 120.200 -0.004 0.000 2.038 141 E HA -0.220 4.130 4.350 0.000 0.000 0.195 141 E C 2.083 178.681 176.600 -0.005 0.000 1.000 141 E CA 1.519 57.916 56.400 -0.004 0.000 0.803 141 E CB -0.041 29.656 29.700 -0.004 0.000 0.750 141 E HN 0.324 nan 8.360 nan 0.000 0.448 142 K N 0.631 121.028 120.400 -0.004 0.000 2.063 142 K HA -0.142 4.178 4.320 0.000 0.000 0.208 142 K C 2.251 178.848 176.600 -0.004 0.000 1.048 142 K CA 1.084 57.368 56.287 -0.004 0.000 0.928 142 K CB -0.195 32.304 32.500 -0.002 0.000 0.713 142 K HN 0.131 nan 8.250 nan 0.000 0.442 143 L N 0.932 122.154 121.223 -0.003 0.000 2.141 143 L HA -0.130 4.210 4.340 0.000 0.000 0.209 143 L C 2.325 179.191 176.870 -0.006 0.000 1.094 143 L CA 0.798 55.637 54.840 -0.003 0.000 0.763 143 L CB -0.312 41.747 42.059 0.001 0.000 0.908 143 L HN 0.173 nan 8.230 nan 0.000 0.437 144 E N -0.470 119.726 120.200 -0.007 0.000 2.204 144 E HA -0.172 4.178 4.350 0.000 0.000 0.195 144 E C 2.303 178.893 176.600 -0.015 0.000 0.990 144 E CA 1.023 57.417 56.400 -0.011 0.000 0.821 144 E CB 0.114 29.808 29.700 -0.010 0.000 0.750 144 E HN 0.266 nan 8.360 nan 0.000 0.477 145 S N 0.179 115.871 115.700 -0.013 0.000 2.404 145 S HA 0.070 4.540 4.470 0.000 0.000 0.223 145 S C 1.903 176.494 174.600 -0.015 0.000 1.040 145 S CA 0.025 58.215 58.200 -0.015 0.000 0.957 145 S CB 0.010 63.203 63.200 -0.011 0.000 0.826 145 S HN 0.278 nan 8.310 nan 0.000 0.491 146 L N 1.284 122.500 121.223 -0.011 0.000 2.131 146 L HA 0.193 4.533 4.340 0.000 0.000 0.210 146 L C -0.176 176.687 176.870 -0.011 0.000 1.092 146 L CA 1.050 55.884 54.840 -0.009 0.000 0.759 146 L CB -0.082 41.973 42.059 -0.007 0.000 0.903 146 L HN 0.229 nan 8.230 nan 0.000 0.435 147 L N 1.952 123.167 121.223 -0.012 0.000 2.278 147 L HA 0.308 4.648 4.340 0.000 0.000 0.287 147 L C -1.966 174.891 176.870 -0.022 0.000 1.072 147 L CA -2.052 52.781 54.840 -0.012 0.000 0.819 147 L CB 0.413 42.467 42.059 -0.008 0.000 1.176 147 L HN 0.012 nan 8.230 nan 0.000 0.435 148 P HA -0.067 nan 4.420 nan 0.000 0.267 148 P C 0.133 177.387 177.300 -0.076 0.000 1.195 148 P CA -0.016 63.062 63.100 -0.038 0.000 0.773 148 P CB 0.700 32.400 31.700 -0.000 0.000 0.837 149 Q N 0.766 120.455 119.800 -0.184 0.000 2.083 149 Q HA -0.145 4.195 4.340 0.000 0.000 0.198 149 Q C 1.241 177.103 176.000 -0.231 0.000 0.969 149 Q CA 1.724 57.362 55.803 -0.275 0.000 0.838 149 Q CB -0.261 28.181 28.738 -0.493 0.000 0.900 149 Q HN 0.496 nan 8.270 nan 0.000 0.436 150 H N -0.571 118.513 119.070 0.024 0.000 2.555 150 H HA 0.056 4.612 4.556 0.000 0.000 0.283 150 H C 1.177 176.534 175.328 0.048 0.000 1.037 150 H CA -0.013 56.054 56.048 0.031 0.000 1.169 150 H CB 0.163 29.938 29.762 0.020 0.000 1.375 150 H HN 0.156 nan 8.280 nan 0.000 0.582 151 L N 0.908 122.201 121.223 0.116 0.000 2.187 151 L HA -0.031 4.309 4.340 0.000 0.000 0.213 151 L C 2.401 179.351 176.870 0.133 0.000 1.100 151 L CA 1.420 56.329 54.840 0.115 0.000 0.765 151 L CB -0.697 41.403 42.059 0.067 0.000 0.904 151 L HN 0.312 nan 8.230 nan 0.000 0.437 152 G N -1.712 107.159 108.800 0.118 0.000 2.432 152 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 152 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 152 G C 1.435 176.423 174.900 0.146 0.000 1.135 152 G CA 0.679 45.849 45.100 0.117 0.000 0.767 152 G HN 0.502 nan 8.290 nan 0.000 0.550 153 Q N -0.196 119.696 119.800 0.153 0.000 2.020 153 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 153 Q C 2.855 178.983 176.000 0.215 0.000 0.982 153 Q CA 1.540 57.431 55.803 0.146 0.000 0.838 153 Q CB -0.309 28.484 28.738 0.091 0.000 0.899 153 Q HN 0.370 nan 8.270 nan 0.000 0.423 154 V N 1.111 121.166 119.914 0.235 0.000 2.332 154 V HA -0.309 3.811 4.120 0.000 0.000 0.248 154 V C 2.256 178.640 176.094 0.483 0.000 1.055 154 V CA 1.889 64.399 62.300 0.351 0.000 1.038 154 V CB -1.081 30.937 31.823 0.326 0.000 0.651 154 V HN 0.422 nan 8.190 nan 0.000 0.450 155 A N 0.023 123.056 122.820 0.354 0.000 1.898 155 A HA -0.229 4.091 4.320 0.000 0.000 0.216 155 A C 2.416 180.135 177.584 0.226 0.000 1.181 155 A CA 1.935 54.143 52.037 0.284 0.000 0.620 155 A CB -0.530 18.566 19.000 0.161 0.000 0.819 155 A HN 0.503 nan 8.150 nan 0.000 0.442 156 R N -2.236 118.397 120.500 0.221 0.000 2.075 156 R HA -0.168 4.172 4.340 0.000 0.000 0.232 156 R C 2.031 178.492 176.300 0.268 0.000 1.126 156 R CA 1.740 57.956 56.100 0.194 0.000 0.963 156 R CB -0.466 29.934 30.300 0.167 0.000 0.858 156 R HN 0.541 nan 8.270 nan 0.000 0.435 157 Y N 0.711 121.131 120.300 0.201 0.000 2.242 157 Y HA -0.022 4.528 4.550 0.000 0.000 0.291 157 Y C 2.054 178.119 175.900 0.275 0.000 1.137 157 Y CA 0.962 59.215 58.100 0.254 0.000 1.181 157 Y CB -0.570 38.082 38.460 0.319 0.000 0.989 157 Y HN 0.195 nan 8.280 nan 0.000 0.527 158 A N -0.097 122.873 122.820 0.252 0.000 1.908 158 A HA -0.148 4.172 4.320 0.000 0.000 0.218 158 A C 2.550 180.098 177.584 -0.060 0.000 1.181 158 A CA 1.881 53.863 52.037 -0.092 0.000 0.627 158 A CB -1.623 17.304 19.000 -0.122 0.000 0.818 158 A HN 0.544 nan 8.150 nan 0.000 0.445 159 G N -0.910 107.892 108.800 0.005 0.000 2.418 159 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 159 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 159 G C 1.576 176.493 174.900 0.030 0.000 1.158 159 G CA 0.941 46.044 45.100 0.004 0.000 0.771 159 G HN 0.665 nan 8.290 nan 0.000 0.545 160 Q N -0.263 119.563 119.800 0.044 0.000 2.170 160 Q HA 0.094 4.434 4.340 0.000 0.000 0.203 160 Q C 2.400 178.399 176.000 -0.001 0.000 0.976 160 Q CA 0.658 56.483 55.803 0.038 0.000 0.858 160 Q CB -0.185 28.610 28.738 0.095 0.000 0.907 160 Q HN 0.425 nan 8.270 nan 0.000 0.433 161 L N -0.025 121.177 121.223 -0.034 0.000 2.554 161 L HA 0.009 4.349 4.340 0.000 0.000 0.226 161 L C 2.288 179.208 176.870 0.084 0.000 1.137 161 L CA 0.094 54.944 54.840 0.016 0.000 0.863 161 L CB -0.182 41.888 42.059 0.019 0.000 0.985 161 L HN 0.176 nan 8.230 nan 0.000 0.451 162 R N 0.563 121.139 120.500 0.127 0.000 2.113 162 R HA -0.247 4.093 4.340 0.000 0.000 0.244 162 R C 2.394 178.736 176.300 0.070 0.000 1.142 162 R CA 1.880 58.076 56.100 0.160 0.000 0.953 162 R CB -0.350 30.016 30.300 0.110 0.000 0.860 162 R HN 0.390 nan 8.270 nan 0.000 0.438 163 A N 0.695 123.532 122.820 0.029 0.000 1.908 163 A HA -0.199 4.121 4.320 0.000 0.000 0.218 163 A C 2.162 179.727 177.584 -0.032 0.000 1.181 163 A CA 1.361 53.396 52.037 -0.003 0.000 0.627 163 A CB -0.526 18.465 19.000 -0.015 0.000 0.818 163 A HN 0.247 nan 8.150 nan 0.000 0.445 164 R N -0.451 120.015 120.500 -0.057 0.000 2.075 164 R HA -0.063 4.277 4.340 0.000 0.000 0.232 164 R C 2.061 178.351 176.300 -0.018 0.000 1.126 164 R CA 1.504 57.527 56.100 -0.128 0.000 0.963 164 R CB -0.452 29.648 30.300 -0.334 0.000 0.858 164 R HN 0.359 nan 8.270 nan 0.000 0.435 165 V N 1.603 121.544 119.914 0.045 0.000 2.282 165 V HA -0.297 3.823 4.120 0.000 0.000 0.249 165 V C 2.512 178.615 176.094 0.015 0.000 1.057 165 V CA 1.911 64.164 62.300 -0.078 0.000 1.032 165 V CB -0.466 31.017 31.823 -0.567 0.000 0.645 165 V HN 0.361 nan 8.190 nan 0.000 0.447 166 K N -0.051 120.349 120.400 0.000 0.000 2.097 166 K HA -0.118 4.202 4.320 0.000 0.000 0.205 166 K C 1.562 178.155 176.600 -0.012 0.000 1.050 166 K CA 1.111 57.410 56.287 0.020 0.000 0.938 166 K CB -0.053 32.461 32.500 0.024 0.000 0.718 166 K HN 0.364 nan 8.250 nan 0.000 0.442 167 K N 0.346 120.716 120.400 -0.050 0.000 2.708 167 K HA -0.038 4.282 4.320 0.000 0.000 0.219 167 K C 0.906 177.413 176.600 -0.155 0.000 1.068 167 K CA 0.059 56.295 56.287 -0.086 0.000 1.212 167 K CB 0.534 32.984 32.500 -0.084 0.000 0.978 167 K HN 0.046 nan 8.250 nan 0.000 0.475 168 Q N -0.539 119.126 119.800 -0.225 0.000 2.286 168 Q HA 0.162 4.502 4.340 0.000 0.000 0.243 168 Q C -0.848 174.724 176.000 -0.712 0.000 0.752 168 Q CA 0.386 55.900 55.803 -0.481 0.000 0.950 168 Q CB 0.687 29.089 28.738 -0.559 0.000 1.253 168 Q HN 0.095 nan 8.270 nan 0.000 0.492 169 F N 0.476 120.389 119.950 -0.062 0.000 2.467 169 F HA 0.742 5.269 4.527 0.000 0.000 0.336 169 F C 0.941 176.713 175.800 -0.047 0.000 1.123 169 F CA -0.450 57.514 58.000 -0.061 0.000 0.964 169 F CB 1.885 40.821 39.000 -0.107 0.000 1.136 169 F HN 0.070 nan 8.300 nan 0.000 0.447 170 A N 1.501 124.389 122.820 0.113 0.000 1.872 170 A HA 0.012 4.332 4.320 0.000 0.000 0.214 170 A C 1.544 179.170 177.584 0.070 0.000 1.187 170 A CA 1.557 53.629 52.037 0.057 0.000 0.614 170 A CB -0.835 18.177 19.000 0.018 0.000 0.826 170 A HN 0.735 nan 8.150 nan 0.000 0.442 171 T N -2.342 112.268 114.554 0.093 0.000 2.833 171 T HA 0.367 4.717 4.350 0.000 0.000 0.312 171 T C 1.181 175.928 174.700 0.077 0.000 1.085 171 T CA 0.438 62.590 62.100 0.086 0.000 0.955 171 T CB 0.235 69.172 68.868 0.116 0.000 1.353 171 T HN 0.358 nan 8.240 nan 0.000 0.544 172 M N -0.983 118.660 119.600 0.070 0.000 2.534 172 M HA 0.396 4.876 4.480 0.000 0.000 0.263 172 M C 2.141 178.476 176.300 0.058 0.000 1.152 172 M CA 0.824 56.163 55.300 0.065 0.000 1.145 172 M CB -0.210 32.426 32.600 0.060 0.000 1.333 172 M HN 0.637 nan 8.290 nan 0.000 0.477 173 G N 0.849 109.679 108.800 0.049 0.000 2.838 173 G HA2 0.065 4.025 3.960 0.000 0.000 0.210 173 G HA3 0.065 4.025 3.960 0.000 0.000 0.210 173 G C 1.244 176.133 174.900 -0.017 0.000 1.153 173 G CA -0.058 45.058 45.100 0.027 0.000 0.778 173 G HN 0.545 nan 8.290 nan 0.000 0.539 174 E N 0.394 120.574 120.200 -0.034 0.000 2.230 174 E HA 0.037 4.387 4.350 0.000 0.000 0.192 174 E C 2.404 178.772 176.600 -0.385 0.000 0.987 174 E CA 0.139 56.446 56.400 -0.154 0.000 0.841 174 E CB 0.078 29.757 29.700 -0.035 0.000 0.783 174 E HN 0.296 nan 8.360 nan 0.000 0.481 175 R N 0.618 120.963 120.500 -0.258 0.000 2.161 175 R HA 0.077 4.417 4.340 0.000 0.000 0.213 175 R C 2.318 178.528 176.300 -0.149 0.000 1.055 175 R CA 0.380 56.272 56.100 -0.346 0.000 0.996 175 R CB -0.028 30.189 30.300 -0.138 0.000 0.901 175 R HN 0.007 nan 8.270 nan 0.000 0.456 176 R N 1.187 121.703 120.500 0.026 0.000 2.119 176 R HA -0.001 4.339 4.340 0.000 0.000 0.222 176 R C 1.889 178.250 176.300 0.102 0.000 1.088 176 R CA 0.992 57.194 56.100 0.169 0.000 0.984 176 R CB 0.152 30.521 30.300 0.114 0.000 0.884 176 R HN 0.072 nan 8.270 nan 0.000 0.447 177 R N -0.684 119.798 120.500 -0.030 0.000 2.119 177 R HA -0.068 4.272 4.340 0.000 0.000 0.222 177 R C 2.030 178.238 176.300 -0.152 0.000 1.088 177 R CA 1.184 57.242 56.100 -0.070 0.000 0.984 177 R CB -0.276 29.962 30.300 -0.103 0.000 0.884 177 R HN 0.189 nan 8.270 nan 0.000 0.447 178 F N 0.124 119.791 119.950 -0.472 0.000 2.069 178 F HA -0.247 4.280 4.527 0.000 0.000 0.298 178 F C 1.566 177.115 175.800 -0.418 0.000 1.113 178 F CA 1.614 59.209 58.000 -0.674 0.000 1.214 178 F CB -0.326 37.961 39.000 -1.188 0.000 0.978 178 F HN 0.009 nan 8.300 nan 0.000 0.474 179 W N 0.877 122.215 121.300 0.063 0.000 2.358 179 W HA -0.152 4.508 4.660 0.000 0.000 0.303 179 W C 2.428 179.036 176.519 0.148 0.000 1.208 179 W CA 1.106 58.498 57.345 0.078 0.000 1.274 179 W CB -0.495 29.116 29.460 0.252 0.000 1.138 179 W HN 0.073 nan 8.180 nan 0.000 0.515 180 E N 0.508 120.894 120.200 0.310 0.000 2.110 180 E HA -0.205 4.145 4.350 0.000 0.000 0.193 180 E C 1.972 178.636 176.600 0.107 0.000 0.988 180 E CA 1.262 57.793 56.400 0.219 0.000 0.804 180 E CB -0.201 29.567 29.700 0.112 0.000 0.745 180 E HN 0.319 nan 8.360 nan 0.000 0.458 181 K N 0.066 120.440 120.400 -0.044 0.000 2.062 181 K HA -0.106 4.214 4.320 0.000 0.000 0.205 181 K C 2.005 178.509 176.600 -0.160 0.000 1.051 181 K CA 0.781 56.986 56.287 -0.137 0.000 0.941 181 K CB -0.222 32.124 32.500 -0.255 0.000 0.719 181 K HN 0.060 nan 8.250 nan 0.000 0.440 182 F N 1.354 121.046 119.950 -0.430 0.000 2.025 182 F HA -0.214 4.313 4.527 0.000 0.000 0.297 182 F C 1.591 177.221 175.800 -0.283 0.000 1.132 182 F CA 1.639 59.353 58.000 -0.476 0.000 1.191 182 F CB -0.368 38.274 39.000 -0.597 0.000 0.963 182 F HN -0.112 nan 8.300 nan 0.000 0.481 183 F N -0.698 119.430 119.950 0.297 0.000 2.805 183 F HA -0.006 4.521 4.527 0.000 0.000 0.301 183 F C 1.507 177.323 175.800 0.026 0.000 1.196 183 F CA -0.057 58.038 58.000 0.158 0.000 1.439 183 F CB -0.277 38.858 39.000 0.224 0.000 1.117 183 F HN -0.152 nan 8.300 nan 0.000 0.581 184 V N -1.431 118.538 119.914 0.091 0.000 3.604 184 V HA 0.034 4.154 4.120 0.000 0.000 0.277 184 V C 0.719 176.795 176.094 -0.030 0.000 1.399 184 V CA 0.037 62.361 62.300 0.040 0.000 1.034 184 V CB -0.082 31.761 31.823 0.033 0.000 0.824 184 V HN 0.167 nan 8.190 nan 0.000 0.439 185 N N 1.644 120.284 118.700 -0.101 0.000 2.402 185 N HA -0.010 4.730 4.740 0.000 0.000 0.259 185 N C 0.477 175.922 175.510 -0.109 0.000 1.167 185 N CA 0.281 53.254 53.050 -0.129 0.000 0.949 185 N CB 1.179 39.540 38.487 -0.209 0.000 1.212 185 N HN 0.299 nan 8.380 nan 0.000 0.493 186 D N 2.080 122.442 120.400 -0.064 0.000 2.348 186 D HA -0.011 4.629 4.640 0.000 0.000 0.216 186 D C 1.758 178.026 176.300 -0.053 0.000 0.970 186 D CA 0.616 54.588 54.000 -0.046 0.000 0.889 186 D CB 0.399 41.184 40.800 -0.024 0.000 0.912 186 D HN 0.410 nan 8.370 nan 0.000 0.524 187 R N -0.110 120.350 120.500 -0.066 0.000 2.080 187 R HA 0.033 4.373 4.340 0.000 0.000 0.222 187 R C 2.224 178.476 176.300 -0.081 0.000 1.107 187 R CA 0.295 56.358 56.100 -0.062 0.000 0.980 187 R CB -0.419 29.848 30.300 -0.055 0.000 0.879 187 R HN 0.288 nan 8.270 nan 0.000 0.439 188 L N 0.619 121.773 121.223 -0.115 0.000 2.046 188 L HA -0.160 4.180 4.340 0.000 0.000 0.208 188 L C 2.371 179.154 176.870 -0.145 0.000 1.077 188 L CA 1.558 56.308 54.840 -0.149 0.000 0.747 188 L CB -0.379 41.533 42.059 -0.245 0.000 0.896 188 L HN 0.229 nan 8.230 nan 0.000 0.432 189 A N -0.581 122.165 122.820 -0.123 0.000 1.841 189 A HA -0.304 4.016 4.320 0.000 0.000 0.214 189 A C 2.101 179.653 177.584 -0.054 0.000 1.195 189 A CA 1.785 53.780 52.037 -0.070 0.000 0.611 189 A CB -0.716 18.266 19.000 -0.029 0.000 0.835 189 A HN 0.505 nan 8.150 nan 0.000 0.443 190 Q N 0.296 120.068 119.800 -0.047 0.000 2.096 190 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 190 Q C 2.154 178.110 176.000 -0.072 0.000 0.982 190 Q CA 2.371 58.148 55.803 -0.043 0.000 0.850 190 Q CB -0.519 28.199 28.738 -0.032 0.000 0.901 190 Q HN 0.543 nan 8.270 nan 0.000 0.422 191 S N -0.138 115.513 115.700 -0.082 0.000 2.368 191 S HA -0.094 4.376 4.470 0.000 0.000 0.225 191 S C 1.751 176.277 174.600 -0.124 0.000 1.030 191 S CA 1.266 59.409 58.200 -0.094 0.000 0.999 191 S CB -0.299 62.846 63.200 -0.092 0.000 0.844 191 S HN 0.398 nan 8.310 nan 0.000 0.459 192 L N 1.079 122.216 121.223 -0.143 0.000 2.056 192 L HA -0.109 4.231 4.340 0.000 0.000 0.207 192 L C 2.775 179.546 176.870 -0.165 0.000 1.078 192 L CA 1.137 55.879 54.840 -0.165 0.000 0.749 192 L CB -0.693 41.278 42.059 -0.146 0.000 0.901 192 L HN 0.311 nan 8.230 nan 0.000 0.433 193 A N 0.085 122.792 122.820 -0.190 0.000 1.940 193 A HA -0.130 4.190 4.320 0.000 0.000 0.219 193 A C 0.745 178.171 177.584 -0.264 0.000 1.176 193 A CA 1.378 53.208 52.037 -0.346 0.000 0.631 193 A CB -0.480 18.316 19.000 -0.340 0.000 0.814 193 A HN 0.501 nan 8.150 nan 0.000 0.446 194 N N -0.039 118.566 118.700 -0.158 0.000 2.558 194 N HA 0.445 5.185 4.740 0.000 0.000 0.242 194 N C -0.419 175.032 175.510 -0.099 0.000 0.979 194 N CA 0.354 53.339 53.050 -0.108 0.000 0.931 194 N CB 1.245 39.686 38.487 -0.076 0.000 1.122 194 N HN 0.255 nan 8.380 nan 0.000 0.508 195 A N 1.357 124.121 122.820 -0.094 0.000 3.270 195 A HA -0.098 4.222 4.320 0.000 0.000 0.271 195 A C 0.330 177.871 177.584 -0.070 0.000 2.082 195 A CA 0.151 52.136 52.037 -0.086 0.000 1.509 195 A CB -0.785 18.174 19.000 -0.070 0.000 0.851 195 A HN 0.442 nan 8.150 nan 0.000 0.589 196 D N 1.304 121.659 120.400 -0.075 0.000 2.483 196 D HA 0.113 4.753 4.640 0.000 0.000 0.220 196 D C 1.400 177.664 176.300 -0.061 0.000 1.173 196 D CA -0.079 53.885 54.000 -0.059 0.000 0.964 196 D CB 0.345 41.113 40.800 -0.053 0.000 1.046 196 D HN 0.762 nan 8.370 nan 0.000 0.517 197 E N 2.383 122.553 120.200 -0.050 0.000 2.333 197 E HA -0.182 4.168 4.350 0.000 0.000 0.198 197 E C 1.121 177.710 176.600 -0.018 0.000 1.007 197 E CA 0.902 57.277 56.400 -0.040 0.000 0.845 197 E CB 0.278 29.963 29.700 -0.023 0.000 0.766 197 E HN 0.047 nan 8.360 nan 0.000 0.507 198 K N 0.740 121.131 120.400 -0.016 0.000 2.031 198 K HA 0.039 4.359 4.320 0.000 0.000 0.205 198 K C 2.196 178.795 176.600 -0.003 0.000 1.049 198 K CA 1.348 57.633 56.287 -0.005 0.000 0.939 198 K CB -0.561 31.935 32.500 -0.007 0.000 0.717 198 K HN 0.284 nan 8.250 nan 0.000 0.438 199 A N 0.927 123.737 122.820 -0.017 0.000 1.968 199 A HA -0.067 4.253 4.320 0.000 0.000 0.217 199 A C 2.448 180.022 177.584 -0.017 0.000 1.169 199 A CA 1.166 53.192 52.037 -0.018 0.000 0.638 199 A CB -0.463 18.518 19.000 -0.032 0.000 0.812 199 A HN 0.050 nan 8.150 nan 0.000 0.446 200 V N 0.900 120.792 119.914 -0.036 0.000 2.358 200 V HA -0.214 3.906 4.120 0.000 0.000 0.246 200 V C 2.243 178.377 176.094 0.066 0.000 1.047 200 V CA 2.066 64.340 62.300 -0.043 0.000 1.035 200 V CB -0.878 30.843 31.823 -0.169 0.000 0.658 200 V HN 0.534 nan 8.190 nan 0.000 0.452 201 N N 0.660 119.401 118.700 0.068 0.000 2.106 201 N HA -0.067 4.673 4.740 0.000 0.000 0.188 201 N C 1.925 177.502 175.510 0.112 0.000 1.029 201 N CA 1.606 54.726 53.050 0.117 0.000 0.848 201 N CB -0.653 37.881 38.487 0.079 0.000 1.007 201 N HN 0.447 nan 8.380 nan 0.000 0.423 202 A N 0.623 123.484 122.820 0.069 0.000 1.859 202 A HA -0.179 4.141 4.320 0.000 0.000 0.217 202 A C 2.374 180.003 177.584 0.074 0.000 1.198 202 A CA 2.407 54.479 52.037 0.059 0.000 0.629 202 A CB -1.316 17.703 19.000 0.031 0.000 0.830 202 A HN 0.335 nan 8.150 nan 0.000 0.446 203 T N -0.417 114.174 114.554 0.061 0.000 2.746 203 T HA -0.116 4.234 4.350 0.000 0.000 0.267 203 T C 1.999 176.766 174.700 0.111 0.000 1.039 203 T CA 1.899 64.030 62.100 0.051 0.000 1.142 203 T CB -0.568 68.305 68.868 0.008 0.000 0.866 203 T HN 0.568 nan 8.240 nan 0.000 0.444 204 T N 1.911 116.585 114.554 0.201 0.000 2.746 204 T HA -0.089 4.261 4.350 0.000 0.000 0.267 204 T C 2.003 176.959 174.700 0.427 0.000 1.039 204 T CA 0.942 63.258 62.100 0.360 0.000 1.142 204 T CB -0.215 68.947 68.868 0.491 0.000 0.866 204 T HN 0.289 nan 8.240 nan 0.000 0.444 205 E N 1.227 121.601 120.200 0.291 0.000 2.110 205 E HA -0.053 4.297 4.350 0.000 0.000 0.193 205 E C 2.396 179.140 176.600 0.240 0.000 0.988 205 E CA 0.947 57.503 56.400 0.259 0.000 0.804 205 E CB -0.221 29.562 29.700 0.139 0.000 0.745 205 E HN 0.466 nan 8.360 nan 0.000 0.458 206 R N 0.136 120.734 120.500 0.163 0.000 2.115 206 R HA 0.011 4.351 4.340 0.000 0.000 0.230 206 R C 2.604 178.973 176.300 0.116 0.000 1.111 206 R CA 0.507 56.675 56.100 0.113 0.000 0.976 206 R CB -0.280 30.056 30.300 0.060 0.000 0.870 206 R HN 0.164 nan 8.270 nan 0.000 0.445 207 L N -0.342 120.945 121.223 0.106 0.000 2.017 207 L HA -0.182 4.158 4.340 0.000 0.000 0.208 207 L C 2.057 179.021 176.870 0.157 0.000 1.073 207 L CA 1.553 56.387 54.840 -0.010 0.000 0.745 207 L CB -0.293 41.641 42.059 -0.209 0.000 0.894 207 L HN 0.120 nan 8.230 nan 0.000 0.432 208 F N -0.267 119.890 119.950 0.345 0.000 2.234 208 F HA -0.168 4.359 4.527 0.000 0.000 0.299 208 F C 2.594 178.505 175.800 0.185 0.000 1.087 208 F CA 1.223 59.427 58.000 0.340 0.000 1.340 208 F CB -0.361 38.727 39.000 0.147 0.000 1.031 208 F HN 0.121 nan 8.300 nan 0.000 0.500 209 S N -0.719 115.155 115.700 0.290 0.000 2.763 209 S HA 0.112 4.582 4.470 0.000 0.000 0.237 209 S C 0.129 174.814 174.600 0.142 0.000 0.966 209 S CA -0.352 57.946 58.200 0.163 0.000 1.017 209 S CB -0.797 62.473 63.200 0.116 0.000 0.780 209 S HN 0.297 nan 8.310 nan 0.000 0.476 210 E N 2.668 122.984 120.200 0.193 0.000 2.214 210 E HA 0.371 4.721 4.350 0.000 0.000 0.274 210 E C -2.600 174.105 176.600 0.175 0.000 0.977 210 E CA -2.637 53.850 56.400 0.145 0.000 0.827 210 E CB 1.242 30.999 29.700 0.096 0.000 1.130 210 E HN 0.261 nan 8.360 nan 0.000 0.394 211 P HA 0.202 nan 4.420 nan 0.000 0.283 211 P C -0.937 176.418 177.300 0.091 0.000 1.412 211 P CA -0.019 63.146 63.100 0.109 0.000 0.912 211 P CB 0.237 31.979 31.700 0.070 0.000 1.132 212 L N 2.287 123.581 121.223 0.119 0.000 2.343 212 L HA 0.394 4.734 4.340 0.000 0.000 0.275 212 L C 0.854 177.768 176.870 0.074 0.000 1.056 212 L CA -0.854 54.013 54.840 0.045 0.000 0.804 212 L CB 1.016 43.042 42.059 -0.055 0.000 1.203 212 L HN 0.251 nan 8.230 nan 0.000 0.440 213 D N 0.816 121.233 120.400 0.029 0.000 2.389 213 D HA -0.004 4.636 4.640 0.000 0.000 0.247 213 D C 0.857 177.175 176.300 0.030 0.000 1.128 213 D CA 0.067 54.080 54.000 0.022 0.000 0.884 213 D CB 0.841 41.613 40.800 -0.047 0.000 1.194 213 D HN 0.591 nan 8.370 nan 0.000 0.441 214 H N 3.234 122.312 119.070 0.014 0.000 2.604 214 H HA 0.090 4.646 4.556 0.000 0.000 0.273 214 H C 0.244 175.581 175.328 0.015 0.000 0.971 214 H CA -0.255 55.804 56.048 0.018 0.000 1.249 214 H CB 0.073 29.853 29.762 0.031 0.000 1.449 214 H HN 0.325 nan 8.280 nan 0.000 0.512 215 R N 1.900 121.949 120.500 -0.752 0.000 2.679 215 R HA 0.287 4.627 4.340 0.000 0.000 0.268 215 R C 0.509 176.712 176.300 -0.162 0.000 1.044 215 R CA 0.286 56.123 56.100 -0.437 0.000 1.105 215 R CB 0.446 30.498 30.300 -0.414 0.000 0.989 215 R HN 0.199 nan 8.270 nan 0.000 0.447 216 G N 0.513 109.265 108.800 -0.080 0.000 2.546 216 G HA2 0.348 4.308 3.960 0.000 0.000 0.239 216 G HA3 0.348 4.308 3.960 0.000 0.000 0.239 216 G C -0.575 174.314 174.900 -0.019 0.000 1.476 216 G CA -0.301 44.782 45.100 -0.028 0.000 1.064 216 G HN 0.884 nan 8.290 nan 0.000 0.561 217 E N -3.647 116.560 120.200 0.011 0.000 2.411 217 E HA 0.420 4.770 4.350 0.000 0.000 0.279 217 E C -2.145 174.489 176.600 0.057 0.000 1.132 217 E CA -0.901 55.521 56.400 0.037 0.000 0.876 217 E CB 1.203 30.916 29.700 0.021 0.000 1.335 217 E HN 0.381 nan 8.360 nan 0.000 0.436 218 V N 0.871 120.845 119.914 0.100 0.000 2.604 218 V HA 0.550 4.670 4.120 0.000 0.000 0.305 218 V C -0.857 175.299 176.094 0.103 0.000 1.043 218 V CA -0.717 61.636 62.300 0.087 0.000 0.888 218 V CB 1.757 33.629 31.823 0.082 0.000 0.995 218 V HN 0.545 nan 8.190 nan 0.000 0.429 219 V N 5.564 125.511 119.914 0.056 0.000 2.482 219 V HA 0.389 4.509 4.120 0.000 0.000 0.295 219 V C -0.638 175.458 176.094 0.003 0.000 1.026 219 V CA -0.609 61.715 62.300 0.041 0.000 0.856 219 V CB 1.699 33.536 31.823 0.024 0.000 1.001 219 V HN 0.574 nan 8.190 nan 0.000 0.424 220 L N 6.060 127.267 121.223 -0.026 0.000 2.313 220 L HA 0.506 4.846 4.340 0.000 0.000 0.282 220 L C -0.126 176.688 176.870 -0.093 0.000 1.092 220 L CA 0.393 55.185 54.840 -0.079 0.000 0.831 220 L CB 1.372 43.335 42.059 -0.160 0.000 1.159 220 L HN 0.466 nan 8.230 nan 0.000 0.442 221 V N 3.770 123.643 119.914 -0.068 0.000 2.483 221 V HA 0.576 4.696 4.120 0.000 0.000 0.297 221 V C 0.512 176.575 176.094 -0.052 0.000 1.027 221 V CA -0.868 61.397 62.300 -0.058 0.000 0.855 221 V CB 1.673 33.478 31.823 -0.030 0.000 0.995 221 V HN 0.851 nan 8.190 nan 0.000 0.424 222 G N 2.721 111.484 108.800 -0.061 0.000 2.355 222 G HA2 0.479 4.439 3.960 0.000 0.000 0.276 222 G HA3 0.479 4.439 3.960 0.000 0.000 0.276 222 G C 0.721 175.609 174.900 -0.019 0.000 1.198 222 G CA 0.341 45.416 45.100 -0.041 0.000 0.876 222 G HN 1.054 nan 8.290 nan 0.000 0.478 223 A N 1.919 124.736 122.820 -0.006 0.000 2.195 223 A HA 0.612 4.932 4.320 0.000 0.000 0.210 223 A C 1.586 179.167 177.584 -0.005 0.000 1.165 223 A CA 1.192 53.229 52.037 0.000 0.000 0.806 223 A CB -0.604 18.404 19.000 0.014 0.000 0.847 223 A HN 2.427 nan 8.150 nan 0.000 0.482 224 G N -0.518 108.280 108.800 -0.004 0.000 2.796 224 G HA2 -0.151 3.809 3.960 0.000 0.000 0.571 224 G HA3 -0.151 3.809 3.960 0.000 0.000 0.571 224 G C -1.379 173.505 174.900 -0.027 0.000 1.370 224 G CA -0.201 44.890 45.100 -0.014 0.000 0.856 224 G HN 0.135 nan 8.290 nan 0.000 0.538 225 P HA 0.059 nan 4.420 nan 0.000 0.222 225 P C 1.373 178.612 177.300 -0.101 0.000 1.147 225 P CA 2.945 65.989 63.100 -0.093 0.000 0.790 225 P CB 0.129 31.733 31.700 -0.161 0.000 0.780 226 G N -1.222 107.516 108.800 -0.103 0.000 4.003 226 G HA2 -0.130 3.830 3.960 0.000 0.000 0.204 226 G HA3 -0.130 3.830 3.960 0.000 0.000 0.204 226 G C -0.357 174.502 174.900 -0.068 0.000 1.077 226 G CA -0.171 44.884 45.100 -0.076 0.000 0.872 226 G HN 0.302 nan 8.290 nan 0.000 0.350 227 D N 2.136 122.460 120.400 -0.127 0.000 2.472 227 D HA 0.452 5.093 4.640 0.000 0.000 0.248 227 D C 1.697 177.989 176.300 -0.013 0.000 1.174 227 D CA 0.677 54.639 54.000 -0.064 0.000 0.883 227 D CB 1.369 42.097 40.800 -0.119 0.000 1.149 227 D HN 0.418 nan 8.370 nan 0.000 0.488 228 A N 3.788 126.619 122.820 0.019 0.000 1.972 228 A HA -0.069 4.251 4.320 0.000 0.000 0.219 228 A C 2.006 179.610 177.584 0.032 0.000 1.169 228 A CA 1.615 53.665 52.037 0.022 0.000 0.635 228 A CB -0.540 18.476 19.000 0.027 0.000 0.810 228 A HN 0.650 nan 8.150 nan 0.000 0.446 229 G N -0.905 107.929 108.800 0.057 0.000 2.776 229 G HA2 0.096 4.056 3.960 0.000 0.000 0.209 229 G HA3 0.096 4.056 3.960 0.000 0.000 0.209 229 G C 1.127 176.064 174.900 0.062 0.000 1.145 229 G CA 0.469 45.608 45.100 0.065 0.000 0.791 229 G HN 0.456 nan 8.290 nan 0.000 0.530 230 L N 0.089 121.340 121.223 0.046 0.000 2.592 230 L HA 0.351 4.691 4.340 0.000 0.000 0.227 230 L C 1.072 177.953 176.870 0.018 0.000 1.127 230 L CA -0.301 54.562 54.840 0.038 0.000 0.884 230 L CB 0.039 42.105 42.059 0.012 0.000 1.065 230 L HN 0.162 nan 8.230 nan 0.000 0.457 231 L N 1.014 122.245 121.223 0.013 0.000 2.452 231 L HA 0.152 4.492 4.340 0.000 0.000 0.267 231 L C 0.720 177.594 176.870 0.007 0.000 1.188 231 L CA -0.031 54.812 54.840 0.005 0.000 0.821 231 L CB 1.381 43.442 42.059 0.003 0.000 1.102 231 L HN 0.180 nan 8.230 nan 0.000 0.470 232 T N 0.818 115.372 114.554 0.000 0.000 2.849 232 T HA 0.234 4.584 4.350 0.000 0.000 0.284 232 T C 1.481 176.181 174.700 -0.001 0.000 1.004 232 T CA -0.812 61.288 62.100 0.000 0.000 1.021 232 T CB 1.048 69.913 68.868 -0.005 0.000 1.013 232 T HN 0.591 nan 8.240 nan 0.000 0.527 233 L N 0.329 121.551 121.223 -0.001 0.000 2.046 233 L HA -0.062 4.278 4.340 0.000 0.000 0.208 233 L C 2.946 179.813 176.870 -0.005 0.000 1.077 233 L CA 1.619 56.458 54.840 -0.002 0.000 0.747 233 L CB -0.593 41.465 42.059 -0.002 0.000 0.896 233 L HN 0.821 nan 8.230 nan 0.000 0.432 234 K N 0.281 120.677 120.400 -0.006 0.000 2.155 234 K HA -0.099 4.221 4.320 0.000 0.000 0.203 234 K C 2.035 178.629 176.600 -0.011 0.000 1.052 234 K CA 1.088 57.370 56.287 -0.008 0.000 0.948 234 K CB -0.121 32.373 32.500 -0.010 0.000 0.728 234 K HN 0.308 nan 8.250 nan 0.000 0.448 235 G N 1.423 110.216 108.800 -0.012 0.000 2.408 235 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 235 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 235 G C 1.355 176.248 174.900 -0.011 0.000 1.150 235 G CA 0.596 45.688 45.100 -0.014 0.000 0.776 235 G HN 0.287 nan 8.290 nan 0.000 0.542 236 L N 0.369 121.587 121.223 -0.009 0.000 2.056 236 L HA 0.014 4.354 4.340 0.000 0.000 0.207 236 L C 2.783 179.645 176.870 -0.012 0.000 1.078 236 L CA 2.478 57.312 54.840 -0.010 0.000 0.749 236 L CB -0.691 41.363 42.059 -0.008 0.000 0.901 236 L HN 0.399 nan 8.230 nan 0.000 0.433 237 Q N -1.206 118.588 119.800 -0.010 0.000 2.061 237 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 237 Q C 2.097 178.091 176.000 -0.009 0.000 0.984 237 Q CA 1.892 57.689 55.803 -0.010 0.000 0.846 237 Q CB -0.137 28.597 28.738 -0.006 0.000 0.902 237 Q HN 0.573 nan 8.270 nan 0.000 0.421 238 Q N 0.456 120.251 119.800 -0.008 0.000 2.124 238 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 238 Q C 2.203 178.198 176.000 -0.008 0.000 0.977 238 Q CA 1.623 57.422 55.803 -0.006 0.000 0.850 238 Q CB -0.326 28.408 28.738 -0.007 0.000 0.901 238 Q HN 0.739 nan 8.270 nan 0.000 0.429 239 I N -2.685 117.878 120.570 -0.013 0.000 3.059 239 I HA -0.043 4.127 4.170 0.000 0.000 0.270 239 I C 1.703 177.807 176.117 -0.022 0.000 1.238 239 I CA 0.626 61.916 61.300 -0.018 0.000 1.478 239 I CB -0.051 37.935 38.000 -0.023 0.000 1.097 239 I HN -0.075 nan 8.210 nan 0.000 0.455 240 Q N 1.817 121.605 119.800 -0.020 0.000 2.331 240 Q HA -0.046 4.294 4.340 0.000 0.000 0.203 240 Q C 1.279 177.265 176.000 -0.023 0.000 0.944 240 Q CA 1.097 56.885 55.803 -0.025 0.000 0.892 240 Q CB 0.215 28.937 28.738 -0.026 0.000 0.983 240 Q HN 0.833 nan 8.270 nan 0.000 0.482 241 Q N -1.454 118.338 119.800 -0.014 0.000 2.110 241 Q HA 0.537 4.877 4.340 0.000 0.000 0.232 241 Q C -0.044 175.958 176.000 0.003 0.000 0.810 241 Q CA -0.283 55.516 55.803 -0.006 0.000 1.083 241 Q CB 0.743 29.482 28.738 0.003 0.000 1.193 241 Q HN -0.026 nan 8.270 nan 0.000 0.471 242 A N 0.779 123.598 122.820 -0.001 0.000 2.287 242 A HA 0.211 4.531 4.320 0.000 0.000 0.273 242 A C 0.224 177.812 177.584 0.007 0.000 1.091 242 A CA -0.218 51.822 52.037 0.005 0.000 0.817 242 A CB 0.487 19.489 19.000 0.003 0.000 1.069 242 A HN 0.223 nan 8.150 nan 0.000 0.492 243 D N -0.620 119.788 120.400 0.014 0.000 2.262 243 D HA 0.161 4.801 4.640 0.000 0.000 0.212 243 D C 0.142 176.452 176.300 0.017 0.000 0.964 243 D CA 1.204 55.214 54.000 0.017 0.000 0.875 243 D CB 0.409 41.223 40.800 0.024 0.000 0.996 243 D HN 0.471 nan 8.370 nan 0.000 0.497 244 I N 0.379 120.960 120.570 0.019 0.000 2.775 244 I HA 0.216 4.386 4.170 0.000 0.000 0.295 244 I C -1.943 174.191 176.117 0.029 0.000 1.287 244 I CA -0.650 60.666 61.300 0.026 0.000 1.029 244 I CB 2.450 40.471 38.000 0.035 0.000 1.282 244 I HN -0.408 nan 8.210 nan 0.000 0.426 245 V N 7.237 127.171 119.914 0.035 0.000 2.487 245 V HA 0.441 4.561 4.120 0.000 0.000 0.298 245 V C -0.517 175.654 176.094 0.127 0.000 1.028 245 V CA -0.646 61.682 62.300 0.046 0.000 0.860 245 V CB 1.850 33.669 31.823 -0.008 0.000 0.991 245 V HN 0.450 nan 8.190 nan 0.000 0.427 246 V N 6.610 126.603 119.914 0.132 0.000 2.333 246 V HA 0.470 4.590 4.120 0.000 0.000 0.274 246 V C -0.527 175.686 176.094 0.199 0.000 1.028 246 V CA -0.511 61.884 62.300 0.159 0.000 0.851 246 V CB 0.498 32.356 31.823 0.058 0.000 1.000 246 V HN 0.854 nan 8.190 nan 0.000 0.456 247 Y N 2.369 122.649 120.300 -0.033 0.000 2.562 247 Y HA 0.902 5.452 4.550 0.000 0.000 0.343 247 Y C -0.293 175.519 175.900 -0.147 0.000 1.025 247 Y CA -1.365 56.706 58.100 -0.047 0.000 1.082 247 Y CB 1.572 40.041 38.460 0.015 0.000 1.264 247 Y HN 0.644 nan 8.280 nan 0.000 0.478 248 D N -0.007 120.278 120.400 -0.193 0.000 2.592 248 D HA 0.274 4.914 4.640 0.000 0.000 0.259 248 D C 0.512 176.724 176.300 -0.147 0.000 1.144 248 D CA -1.176 52.595 54.000 -0.381 0.000 1.080 248 D CB 1.193 41.856 40.800 -0.228 0.000 1.225 248 D HN 0.663 nan 8.370 nan 0.000 0.619 249 R N -0.709 119.747 120.500 -0.074 0.000 2.307 249 R HA 0.165 4.505 4.340 0.000 0.000 0.199 249 R C 0.761 177.118 176.300 0.096 0.000 1.000 249 R CA 0.394 56.574 56.100 0.134 0.000 1.023 249 R CB -0.229 30.186 30.300 0.192 0.000 0.908 249 R HN 0.500 nan 8.270 nan 0.000 0.473 250 L N 1.177 122.432 121.223 0.053 0.000 2.629 250 L HA 0.183 4.523 4.340 0.000 0.000 0.230 250 L C -0.465 176.440 176.870 0.059 0.000 1.151 250 L CA -0.216 54.654 54.840 0.049 0.000 0.924 250 L CB 0.993 43.075 42.059 0.038 0.000 1.137 250 L HN -0.054 nan 8.230 nan 0.000 0.457 251 V N 0.231 120.204 119.914 0.098 0.000 2.311 251 V HA 0.136 4.257 4.120 0.000 0.000 0.275 251 V C 0.748 176.907 176.094 0.108 0.000 1.022 251 V CA -0.668 61.696 62.300 0.106 0.000 0.830 251 V CB 1.156 33.081 31.823 0.170 0.000 1.012 251 V HN 0.397 nan 8.190 nan 0.000 0.452 252 S N 2.796 118.532 115.700 0.061 0.000 2.559 252 S HA 0.002 4.472 4.470 0.000 0.000 0.282 252 S C 0.785 175.419 174.600 0.056 0.000 1.336 252 S CA -0.137 58.093 58.200 0.050 0.000 1.037 252 S CB 0.606 63.818 63.200 0.021 0.000 0.853 252 S HN 0.682 nan 8.310 nan 0.000 0.523 253 D N 1.208 121.640 120.400 0.053 0.000 2.269 253 D HA -0.033 4.607 4.640 0.000 0.000 0.208 253 D C 1.074 177.385 176.300 0.019 0.000 0.963 253 D CA 0.954 54.979 54.000 0.042 0.000 0.864 253 D CB -0.401 40.425 40.800 0.043 0.000 0.936 253 D HN 0.636 nan 8.370 nan 0.000 0.505 254 D N 0.243 120.655 120.400 0.020 0.000 2.178 254 D HA -0.038 4.602 4.640 0.000 0.000 0.202 254 D C 2.132 178.436 176.300 0.007 0.000 0.974 254 D CA 0.365 54.374 54.000 0.016 0.000 0.841 254 D CB -0.032 40.782 40.800 0.023 0.000 0.953 254 D HN 0.267 nan 8.370 nan 0.000 0.478 255 I N 0.027 120.601 120.570 0.008 0.000 2.406 255 I HA -0.151 4.019 4.170 0.000 0.000 0.249 255 I C 1.915 178.020 176.117 -0.020 0.000 1.122 255 I CA 0.460 61.760 61.300 -0.001 0.000 1.431 255 I CB 0.009 38.013 38.000 0.007 0.000 1.087 255 I HN -0.038 nan 8.210 nan 0.000 0.424 256 M N 0.238 119.822 119.600 -0.027 0.000 2.358 256 M HA -0.138 4.342 4.480 0.000 0.000 0.264 256 M C 1.621 177.874 176.300 -0.078 0.000 1.064 256 M CA 1.330 56.578 55.300 -0.087 0.000 1.093 256 M CB -1.313 31.217 32.600 -0.115 0.000 1.401 256 M HN 0.239 nan 8.290 nan 0.000 0.440 257 N N 0.211 118.886 118.700 -0.040 0.000 2.457 257 N HA 0.030 4.770 4.740 0.000 0.000 0.180 257 N C 1.498 176.990 175.510 -0.030 0.000 1.050 257 N CA 0.668 53.700 53.050 -0.032 0.000 0.906 257 N CB 0.046 38.526 38.487 -0.013 0.000 0.968 257 N HN 0.402 nan 8.380 nan 0.000 0.445 258 L N 0.485 121.690 121.223 -0.030 0.000 2.591 258 L HA 0.137 4.477 4.340 0.000 0.000 0.228 258 L C 0.212 177.061 176.870 -0.035 0.000 1.133 258 L CA -0.026 54.799 54.840 -0.025 0.000 0.880 258 L CB 0.210 42.260 42.059 -0.016 0.000 1.033 258 L HN -0.171 nan 8.230 nan 0.000 0.450 259 V N 0.307 120.191 119.914 -0.051 0.000 2.732 259 V HA 0.120 4.240 4.120 0.000 0.000 0.297 259 V C 1.059 177.123 176.094 -0.051 0.000 1.060 259 V CA -0.761 61.505 62.300 -0.058 0.000 1.038 259 V CB 1.120 32.888 31.823 -0.092 0.000 1.003 259 V HN 0.248 nan 8.190 nan 0.000 0.481 260 R N 2.341 122.814 120.500 -0.044 0.000 2.500 260 R HA -0.041 4.299 4.340 0.000 0.000 0.281 260 R C 1.310 177.585 176.300 -0.042 0.000 0.953 260 R CA 0.408 56.484 56.100 -0.040 0.000 1.108 260 R CB 0.172 30.453 30.300 -0.032 0.000 0.901 260 R HN 0.609 nan 8.270 nan 0.000 0.410 261 R N 1.937 122.413 120.500 -0.040 0.000 2.236 261 R HA -0.080 4.260 4.340 0.000 0.000 0.208 261 R C 0.637 176.919 176.300 -0.031 0.000 1.036 261 R CA 0.753 56.831 56.100 -0.037 0.000 1.001 261 R CB 0.211 30.491 30.300 -0.034 0.000 0.896 261 R HN 0.551 nan 8.270 nan 0.000 0.464 262 D N 0.429 120.810 120.400 -0.030 0.000 2.349 262 D HA 0.080 4.720 4.640 0.000 0.000 0.215 262 D C 0.173 176.464 176.300 -0.015 0.000 1.016 262 D CA 0.248 54.235 54.000 -0.023 0.000 0.870 262 D CB 0.275 41.060 40.800 -0.025 0.000 0.917 262 D HN 0.152 nan 8.370 nan 0.000 0.524 263 A N 0.471 123.280 122.820 -0.018 0.000 2.304 263 A HA 0.266 4.586 4.320 0.000 0.000 0.271 263 A C 0.316 177.897 177.584 -0.006 0.000 1.091 263 A CA -0.480 51.550 52.037 -0.011 0.000 0.812 263 A CB 0.706 19.696 19.000 -0.017 0.000 1.056 263 A HN -0.077 nan 8.150 nan 0.000 0.489 264 D N -0.027 120.379 120.400 0.009 0.000 2.387 264 D HA 0.531 5.171 4.640 0.000 0.000 0.251 264 D C -0.351 175.968 176.300 0.032 0.000 1.141 264 D CA 0.245 54.259 54.000 0.024 0.000 0.987 264 D CB 0.874 41.695 40.800 0.035 0.000 1.116 264 D HN 0.456 nan 8.370 nan 0.000 0.491 265 R N -0.131 120.409 120.500 0.067 0.000 2.548 265 R HA 0.446 4.786 4.340 0.000 0.000 0.280 265 R C -1.406 175.046 176.300 0.254 0.000 1.061 265 R CA -0.679 55.498 56.100 0.128 0.000 0.915 265 R CB 2.128 32.441 30.300 0.022 0.000 1.210 265 R HN 0.106 nan 8.270 nan 0.000 0.442 266 V N 3.873 123.974 119.914 0.311 0.000 2.378 266 V HA 0.372 4.492 4.120 0.000 0.000 0.288 266 V C -0.438 175.776 176.094 0.200 0.000 1.016 266 V CA -0.796 61.650 62.300 0.242 0.000 0.840 266 V CB 1.128 33.023 31.823 0.120 0.000 0.994 266 V HN 0.608 nan 8.190 nan 0.000 0.431 267 F N 5.913 125.821 119.950 -0.070 0.000 2.410 267 F HA 0.680 5.207 4.527 0.000 0.000 0.334 267 F C -0.054 175.588 175.800 -0.264 0.000 1.134 267 F CA 0.410 58.105 58.000 -0.508 0.000 1.227 267 F CB 1.091 39.859 39.000 -0.387 0.000 1.194 267 F HN 0.301 nan 8.300 nan 0.000 0.571 278 P HA -0.077 nan 4.420 nan 0.000 0.264 278 P C 1.035 178.319 177.300 -0.027 0.000 1.156 278 P CA 0.596 63.683 63.100 -0.022 0.000 0.756 278 P CB 0.626 32.319 31.700 -0.012 0.000 0.764 279 Q N 2.485 122.269 119.800 -0.026 0.000 2.156 279 Q HA -0.271 4.069 4.340 0.000 0.000 0.211 279 Q C 1.729 177.716 176.000 -0.020 0.000 0.995 279 Q CA 1.780 57.568 55.803 -0.026 0.000 0.877 279 Q CB -0.357 28.369 28.738 -0.019 0.000 0.920 279 Q HN 0.564 nan 8.270 nan 0.000 0.416 280 E N 0.199 120.390 120.200 -0.015 0.000 2.106 280 E HA -0.179 4.171 4.350 0.000 0.000 0.192 280 E C 1.813 178.407 176.600 -0.010 0.000 0.984 280 E CA 0.851 57.245 56.400 -0.010 0.000 0.806 280 E CB 0.106 29.802 29.700 -0.006 0.000 0.750 280 E HN 0.463 nan 8.360 nan 0.000 0.458 281 E N 0.253 120.446 120.200 -0.011 0.000 2.072 281 E HA -0.138 4.213 4.350 0.000 0.000 0.191 281 E C 2.248 178.840 176.600 -0.013 0.000 0.985 281 E CA 0.781 57.175 56.400 -0.009 0.000 0.801 281 E CB -0.034 29.661 29.700 -0.008 0.000 0.750 281 E HN 0.232 nan 8.360 nan 0.000 0.452 282 I N 1.452 122.008 120.570 -0.023 0.000 2.226 282 I HA -0.269 3.901 4.170 0.000 0.000 0.245 282 I C 2.156 178.261 176.117 -0.020 0.000 1.100 282 I CA 0.683 61.965 61.300 -0.030 0.000 1.374 282 I CB -0.437 37.535 38.000 -0.047 0.000 1.057 282 I HN 0.132 nan 8.210 nan 0.000 0.413 283 N N 0.666 119.355 118.700 -0.018 0.000 2.104 283 N HA -0.205 4.535 4.740 0.000 0.000 0.190 283 N C 1.899 177.403 175.510 -0.009 0.000 1.024 283 N CA 1.258 54.298 53.050 -0.016 0.000 0.853 283 N CB -0.301 38.177 38.487 -0.015 0.000 1.008 283 N HN 0.433 nan 8.380 nan 0.000 0.424 284 Q N 0.632 120.429 119.800 -0.006 0.000 2.119 284 Q HA 0.034 4.374 4.340 0.000 0.000 0.201 284 Q C 2.317 178.319 176.000 0.003 0.000 0.972 284 Q CA 0.504 56.306 55.803 -0.001 0.000 0.847 284 Q CB -0.130 28.609 28.738 0.001 0.000 0.903 284 Q HN 0.477 nan 8.270 nan 0.000 0.433 285 I N 0.688 121.259 120.570 0.003 0.000 2.208 285 I HA -0.325 3.845 4.170 0.000 0.000 0.245 285 I C 2.294 178.418 176.117 0.012 0.000 1.097 285 I CA 1.010 62.316 61.300 0.009 0.000 1.363 285 I CB -0.394 37.611 38.000 0.007 0.000 1.051 285 I HN 0.157 nan 8.210 nan 0.000 0.413 286 L N 0.686 121.914 121.223 0.007 0.000 1.961 286 L HA -0.222 4.118 4.340 0.000 0.000 0.210 286 L C 2.658 179.537 176.870 0.016 0.000 1.072 286 L CA 1.636 56.483 54.840 0.011 0.000 0.749 286 L CB -0.842 41.218 42.059 0.003 0.000 0.889 286 L HN 0.333 nan 8.230 nan 0.000 0.432 287 L N -2.369 118.861 121.223 0.012 0.000 2.201 287 L HA -0.133 4.207 4.340 0.000 0.000 0.212 287 L C 2.651 179.530 176.870 0.015 0.000 1.105 287 L CA 1.135 55.984 54.840 0.016 0.000 0.775 287 L CB -0.759 41.305 42.059 0.009 0.000 0.913 287 L HN 0.196 nan 8.230 nan 0.000 0.440 288 R N 0.541 121.048 120.500 0.013 0.000 2.075 288 R HA -0.114 4.226 4.340 0.000 0.000 0.230 288 R C 2.400 178.712 176.300 0.020 0.000 1.140 288 R CA 1.800 57.909 56.100 0.014 0.000 0.928 288 R CB -0.275 30.033 30.300 0.014 0.000 0.834 288 R HN 0.409 nan 8.270 nan 0.000 0.429 289 E N 0.342 120.555 120.200 0.022 0.000 2.160 289 E HA -0.187 4.163 4.350 0.000 0.000 0.195 289 E C 1.857 178.473 176.600 0.026 0.000 0.991 289 E CA 1.362 57.778 56.400 0.026 0.000 0.810 289 E CB -0.162 29.555 29.700 0.028 0.000 0.742 289 E HN 0.372 nan 8.360 nan 0.000 0.466 290 A N 0.932 123.767 122.820 0.025 0.000 1.929 290 A HA -0.186 4.134 4.320 0.000 0.000 0.216 290 A C 2.142 179.739 177.584 0.021 0.000 1.176 290 A CA 1.225 53.277 52.037 0.025 0.000 0.628 290 A CB -0.412 18.607 19.000 0.032 0.000 0.816 290 A HN 0.173 nan 8.150 nan 0.000 0.444 291 Q N -0.013 119.800 119.800 0.022 0.000 2.112 291 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 291 Q C 1.754 177.775 176.000 0.036 0.000 0.987 291 Q CA 1.944 57.762 55.803 0.025 0.000 0.858 291 Q CB -0.212 28.539 28.738 0.021 0.000 0.905 291 Q HN 0.637 nan 8.270 nan 0.000 0.420 292 K N -1.095 119.325 120.400 0.034 0.000 2.442 292 K HA -0.070 4.250 4.320 0.000 0.000 0.198 292 K C 0.994 177.624 176.600 0.050 0.000 1.044 292 K CA 0.680 56.992 56.287 0.041 0.000 0.948 292 K CB 0.071 32.592 32.500 0.034 0.000 0.762 292 K HN 0.433 nan 8.250 nan 0.000 0.472 293 G N 1.406 110.231 108.800 0.042 0.000 2.159 293 G HA2 -0.247 3.713 3.960 0.000 0.000 0.227 293 G HA3 -0.247 3.713 3.960 0.000 0.000 0.227 293 G C -0.229 174.688 174.900 0.029 0.000 0.986 293 G CA -0.260 44.864 45.100 0.040 0.000 0.651 293 G HN 0.228 nan 8.290 nan 0.000 0.523 294 K N -0.161 120.256 120.400 0.028 0.000 2.126 294 K HA 0.496 4.816 4.320 0.000 0.000 0.257 294 K C 0.543 177.156 176.600 0.022 0.000 1.007 294 K CA -0.598 55.706 56.287 0.027 0.000 0.928 294 K CB 0.813 33.331 32.500 0.029 0.000 1.013 294 K HN 0.129 nan 8.250 nan 0.000 0.473 295 R N 2.062 122.576 120.500 0.023 0.000 2.287 295 R HA 0.180 4.520 4.340 0.000 0.000 0.327 295 R C -1.023 175.291 176.300 0.023 0.000 1.109 295 R CA -0.351 55.762 56.100 0.021 0.000 1.013 295 R CB 0.328 30.640 30.300 0.020 0.000 1.126 295 R HN 0.296 nan 8.270 nan 0.000 0.503 296 V N 4.464 124.395 119.914 0.027 0.000 2.567 296 V HA 0.318 4.438 4.120 0.000 0.000 0.289 296 V C -0.028 176.082 176.094 0.026 0.000 1.049 296 V CA -0.635 61.682 62.300 0.028 0.000 0.969 296 V CB 1.817 33.658 31.823 0.030 0.000 0.995 296 V HN 0.355 nan 8.190 nan 0.000 0.471 297 V N 4.591 124.520 119.914 0.024 0.000 2.443 297 V HA 0.445 4.565 4.120 0.000 0.000 0.293 297 V C -0.115 175.993 176.094 0.024 0.000 1.021 297 V CA -0.775 61.536 62.300 0.018 0.000 0.848 297 V CB 1.782 33.611 31.823 0.011 0.000 0.998 297 V HN 0.842 nan 8.190 nan 0.000 0.424 298 R N 5.030 125.538 120.500 0.013 0.000 2.235 298 R HA 0.408 4.748 4.340 0.000 0.000 0.338 298 R C -0.866 175.440 176.300 0.009 0.000 1.087 298 R CA -0.093 56.014 56.100 0.012 0.000 0.948 298 R CB 0.264 30.561 30.300 -0.006 0.000 1.099 298 R HN 0.722 nan 8.270 nan 0.000 0.483 299 L N 5.372 126.618 121.223 0.037 0.000 2.295 299 L HA 0.308 4.648 4.340 0.000 0.000 0.288 299 L C -0.243 176.651 176.870 0.040 0.000 1.079 299 L CA -0.001 54.863 54.840 0.040 0.000 0.830 299 L CB 0.363 42.465 42.059 0.072 0.000 1.200 299 L HN 0.595 nan 8.230 nan 0.000 0.438 300 K N 2.823 123.230 120.400 0.012 0.000 2.208 300 K HA 0.490 4.810 4.320 0.000 0.000 0.247 300 K C 0.101 176.712 176.600 0.019 0.000 0.953 300 K CA -0.774 55.519 56.287 0.009 0.000 0.837 300 K CB 1.847 34.344 32.500 -0.005 0.000 1.131 300 K HN 0.607 nan 8.250 nan 0.000 0.431 301 G N 0.204 109.023 108.800 0.030 0.000 2.544 301 G HA2 0.380 4.340 3.960 0.000 0.000 0.242 301 G HA3 0.380 4.340 3.960 0.000 0.000 0.242 301 G C 0.639 175.568 174.900 0.048 0.000 1.247 301 G CA 0.432 45.555 45.100 0.038 0.000 0.840 301 G HN 0.751 nan 8.290 nan 0.000 0.578 302 G N 1.320 110.145 108.800 0.043 0.000 2.622 302 G HA2 -0.266 3.694 3.960 0.000 0.000 0.307 302 G HA3 -0.266 3.694 3.960 0.000 0.000 0.307 302 G C 0.086 175.007 174.900 0.034 0.000 1.226 302 G CA 1.000 46.136 45.100 0.059 0.000 0.997 302 G HN 1.178 nan 8.290 nan 0.000 0.551 303 D N 1.083 121.509 120.400 0.042 0.000 2.375 303 D HA 0.594 5.234 4.640 0.000 0.000 0.247 303 D C -0.416 175.872 176.300 -0.020 0.000 1.061 303 D CA -1.448 52.548 54.000 -0.006 0.000 0.834 303 D CB 1.830 42.628 40.800 -0.004 0.000 1.247 303 D HN 0.120 nan 8.370 nan 0.000 0.489 304 P HA -0.124 nan 4.420 nan 0.000 0.218 304 P C 0.936 178.273 177.300 0.061 0.000 1.148 304 P CA 1.081 64.127 63.100 -0.089 0.000 0.822 304 P CB 0.061 31.614 31.700 -0.245 0.000 0.784 305 F N -0.579 119.325 119.950 -0.077 0.000 2.645 305 F HA 0.293 4.820 4.527 0.000 0.000 0.300 305 F C 0.998 176.682 175.800 -0.194 0.000 1.115 305 F CA -0.422 57.511 58.000 -0.112 0.000 1.355 305 F CB 0.331 39.275 39.000 -0.093 0.000 1.026 305 F HN -0.260 nan 8.300 nan 0.000 0.536 306 I N 0.263 120.804 120.570 -0.048 0.000 2.493 306 I HA 0.132 4.302 4.170 0.000 0.000 0.279 306 I C -0.288 175.647 176.117 -0.302 0.000 1.045 306 I CA -0.517 60.575 61.300 -0.348 0.000 1.106 306 I CB 0.605 38.409 38.000 -0.327 0.000 1.216 306 I HN 0.183 nan 8.210 nan 0.000 0.459 307 F N 2.379 122.233 119.950 -0.160 0.000 3.021 307 F HA -0.280 4.247 4.527 0.000 0.000 0.294 307 F C 1.312 177.077 175.800 -0.059 0.000 0.761 307 F CA 0.412 58.321 58.000 -0.152 0.000 1.102 307 F CB -1.172 37.650 39.000 -0.298 0.000 1.380 307 F HN 0.589 nan 8.300 nan 0.000 0.387 308 G N 0.089 108.957 108.800 0.113 0.000 2.606 308 G HA2 0.654 4.614 3.960 0.000 0.000 0.262 308 G HA3 0.654 4.614 3.960 0.000 0.000 0.262 308 G C 0.298 175.245 174.900 0.078 0.000 1.394 308 G CA -0.760 44.392 45.100 0.087 0.000 1.044 308 G HN 0.243 nan 8.290 nan 0.000 0.553 309 R N -0.406 120.127 120.500 0.056 0.000 2.727 309 R HA 0.203 4.543 4.340 0.000 0.000 0.410 309 R C 1.752 178.086 176.300 0.057 0.000 1.101 309 R CA 0.135 56.261 56.100 0.044 0.000 1.045 309 R CB 0.804 31.115 30.300 0.018 0.000 1.380 309 R HN 0.592 nan 8.270 nan 0.000 0.587 310 G N 0.523 109.395 108.800 0.120 0.000 2.476 310 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 310 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 310 G C 1.381 176.414 174.900 0.222 0.000 1.164 310 G CA 1.146 46.358 45.100 0.186 0.000 0.768 310 G HN 0.461 nan 8.290 nan 0.000 0.560 311 G N 0.590 109.489 108.800 0.165 0.000 2.476 311 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 311 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 311 G C 1.628 176.501 174.900 -0.045 0.000 1.164 311 G CA 1.238 46.317 45.100 -0.035 0.000 0.768 311 G HN 0.535 nan 8.290 nan 0.000 0.560 312 E N 0.462 120.644 120.200 -0.030 0.000 2.085 312 E HA -0.126 4.224 4.350 0.000 0.000 0.194 312 E C 2.356 178.932 176.600 -0.040 0.000 0.994 312 E CA 1.108 57.487 56.400 -0.035 0.000 0.801 312 E CB -0.096 29.591 29.700 -0.022 0.000 0.743 312 E HN 0.587 nan 8.360 nan 0.000 0.453 313 E N -0.131 120.051 120.200 -0.030 0.000 2.478 313 E HA -0.081 4.269 4.350 0.000 0.000 0.198 313 E C 1.564 178.107 176.600 -0.095 0.000 1.046 313 E CA 0.462 56.836 56.400 -0.044 0.000 0.870 313 E CB 0.244 29.927 29.700 -0.028 0.000 0.818 313 E HN 0.315 nan 8.360 nan 0.000 0.527 314 L N -0.071 121.065 121.223 -0.145 0.000 2.766 314 L HA 0.032 4.372 4.340 0.000 0.000 0.241 314 L C 2.224 178.899 176.870 -0.325 0.000 1.080 314 L CA 0.092 54.731 54.840 -0.334 0.000 0.909 314 L CB 0.088 41.846 42.059 -0.502 0.000 1.277 314 L HN 0.034 nan 8.230 nan 0.000 0.510 315 E N 0.683 120.776 120.200 -0.178 0.000 2.393 315 E HA -0.232 4.118 4.350 0.000 0.000 0.201 315 E C 1.399 177.976 176.600 -0.039 0.000 1.025 315 E CA 1.776 58.111 56.400 -0.109 0.000 0.856 315 E CB -0.266 29.389 29.700 -0.076 0.000 0.771 315 E HN 0.521 nan 8.360 nan 0.000 0.526 316 T N -2.095 112.443 114.554 -0.026 0.000 3.001 316 T HA 0.215 4.565 4.350 0.000 0.000 0.251 316 T C 1.826 176.573 174.700 0.079 0.000 1.040 316 T CA -0.296 61.839 62.100 0.058 0.000 0.985 316 T CB -0.177 68.725 68.868 0.057 0.000 1.011 316 T HN 0.119 nan 8.240 nan 0.000 0.509 317 L N 0.582 121.822 121.223 0.028 0.000 2.131 317 L HA -0.037 4.303 4.340 0.000 0.000 0.210 317 L C 3.003 180.015 176.870 0.236 0.000 1.092 317 L CA 0.948 55.856 54.840 0.113 0.000 0.759 317 L CB -0.790 41.333 42.059 0.107 0.000 0.903 317 L HN 0.458 nan 8.230 nan 0.000 0.435 318 C N -0.633 118.847 119.300 0.299 0.000 2.446 318 C HA -0.214 4.246 4.460 0.000 0.000 0.277 318 C C 2.836 177.953 174.990 0.212 0.000 1.275 318 C CA 0.907 60.100 59.018 0.292 0.000 1.727 318 C CB -0.906 27.008 27.740 0.290 0.000 2.010 318 C HN 0.599 nan 8.230 nan 0.000 0.486 319 H N -0.194 118.924 119.070 0.080 0.000 2.422 319 H HA -0.100 4.456 4.556 0.000 0.000 0.298 319 H C 2.108 177.464 175.328 0.048 0.000 1.098 319 H CA 1.323 57.401 56.048 0.050 0.000 1.315 319 H CB 0.044 29.825 29.762 0.032 0.000 1.382 319 H HN 0.539 nan 8.280 nan 0.000 0.523 320 A N -0.023 122.801 122.820 0.007 0.000 2.169 320 A HA 0.211 4.531 4.320 0.000 0.000 0.212 320 A C 1.836 179.418 177.584 -0.003 0.000 1.153 320 A CA 0.917 52.911 52.037 -0.073 0.000 0.756 320 A CB -0.317 18.658 19.000 -0.041 0.000 0.813 320 A HN 0.664 nan 8.150 nan 0.000 0.471 321 G N -0.774 108.056 108.800 0.050 0.000 2.160 321 G HA2 -0.214 3.747 3.960 0.000 0.000 0.244 321 G HA3 -0.214 3.747 3.960 0.000 0.000 0.244 321 G C -0.019 174.899 174.900 0.031 0.000 1.022 321 G CA 0.325 45.448 45.100 0.039 0.000 0.741 321 G HN 0.481 nan 8.290 nan 0.000 0.508 322 I N 1.255 121.870 120.570 0.075 0.000 2.312 322 I HA 0.269 4.439 4.170 0.000 0.000 0.290 322 I C -1.995 174.194 176.117 0.120 0.000 1.008 322 I CA -2.418 58.929 61.300 0.079 0.000 1.226 322 I CB 1.685 39.742 38.000 0.095 0.000 1.371 322 I HN -0.147 nan 8.210 nan 0.000 0.468 323 P HA 0.087 nan 4.420 nan 0.000 0.265 323 P C -0.992 176.316 177.300 0.012 0.000 1.193 323 P CA 0.340 63.375 63.100 -0.107 0.000 0.765 323 P CB 0.300 31.939 31.700 -0.101 0.000 0.823 324 F N -0.619 119.330 119.950 -0.001 0.000 2.711 324 F HA 0.834 5.361 4.527 0.000 0.000 0.313 324 F C -0.795 175.006 175.800 0.001 0.000 1.141 324 F CA -1.148 56.853 58.000 0.001 0.000 0.941 324 F CB 1.061 40.069 39.000 0.014 0.000 1.349 324 F HN 0.358 nan 8.300 nan 0.000 0.464 325 S N 0.004 115.882 115.700 0.297 0.000 2.611 325 S HA 0.828 5.298 4.470 0.000 0.000 0.268 325 S C -2.211 172.461 174.600 0.119 0.000 1.156 325 S CA -0.773 57.528 58.200 0.169 0.000 0.817 325 S CB 1.484 64.708 63.200 0.041 0.000 1.122 325 S HN 1.057 nan 8.310 nan 0.000 0.466 326 V N 1.192 121.128 119.914 0.037 0.000 2.588 326 V HA 0.642 4.762 4.120 0.000 0.000 0.304 326 V C -0.897 175.136 176.094 -0.101 0.000 1.042 326 V CA -0.670 61.569 62.300 -0.100 0.000 0.877 326 V CB 1.785 33.446 31.823 -0.270 0.000 0.996 326 V HN 0.846 nan 8.190 nan 0.000 0.425 327 V N 6.918 126.762 119.914 -0.117 0.000 2.313 327 V HA 0.371 4.491 4.120 0.000 0.000 0.278 327 V C -1.931 174.097 176.094 -0.110 0.000 1.017 327 V CA -1.604 60.646 62.300 -0.083 0.000 0.823 327 V CB 1.564 33.355 31.823 -0.053 0.000 1.010 327 V HN 0.743 nan 8.190 nan 0.000 0.443 328 P HA 0.302 nan 4.420 nan 0.000 0.271 328 P C 0.026 177.292 177.300 -0.057 0.000 1.233 328 P CA 0.284 63.327 63.100 -0.095 0.000 0.789 328 P CB 1.307 32.972 31.700 -0.059 0.000 0.951 329 G N 0.406 109.181 108.800 -0.042 0.000 2.672 329 G HA2 0.477 4.437 3.960 0.000 0.000 0.292 329 G HA3 0.477 4.437 3.960 0.000 0.000 0.292 329 G C -0.803 174.097 174.900 0.000 0.000 1.375 329 G CA -0.720 44.368 45.100 -0.019 0.000 0.890 329 G HN 0.336 nan 8.290 nan 0.000 0.476 330 I N 1.694 122.269 120.570 0.009 0.000 2.664 330 I HA 0.088 4.258 4.170 0.000 0.000 0.284 330 I C 1.440 177.577 176.117 0.034 0.000 1.154 330 I CA 0.274 61.587 61.300 0.022 0.000 1.402 330 I CB 0.382 38.393 38.000 0.019 0.000 1.395 330 I HN 0.320 nan 8.210 nan 0.000 0.545 331 T N 5.167 119.757 114.554 0.060 0.000 2.860 331 T HA 0.291 4.641 4.350 0.000 0.000 0.299 331 T C 1.378 176.145 174.700 0.112 0.000 1.045 331 T CA 0.206 62.377 62.100 0.118 0.000 1.071 331 T CB 1.034 69.993 68.868 0.152 0.000 0.985 331 T HN 0.732 nan 8.240 nan 0.000 0.537 332 A N 2.988 125.900 122.820 0.153 0.000 1.933 332 A HA 0.080 4.400 4.320 0.000 0.000 0.218 332 A C 2.590 180.135 177.584 -0.064 0.000 1.175 332 A CA 2.008 54.034 52.037 -0.019 0.000 0.628 332 A CB -1.221 17.690 19.000 -0.148 0.000 0.814 332 A HN 1.009 nan 8.150 nan 0.000 0.444 333 A N -1.081 121.758 122.820 0.032 0.000 1.933 333 A HA -0.082 4.239 4.320 0.000 0.000 0.218 333 A C 2.449 180.071 177.584 0.063 0.000 1.175 333 A CA 2.134 54.201 52.037 0.051 0.000 0.628 333 A CB -0.703 18.434 19.000 0.228 0.000 0.814 333 A HN 0.442 nan 8.150 nan 0.000 0.444 334 S N -1.135 114.611 115.700 0.078 0.000 2.388 334 S HA 0.084 4.554 4.470 0.000 0.000 0.223 334 S C 2.021 176.671 174.600 0.084 0.000 1.034 334 S CA 0.950 59.197 58.200 0.078 0.000 0.963 334 S CB -0.388 62.856 63.200 0.074 0.000 0.827 334 S HN 0.722 nan 8.310 nan 0.000 0.481 335 G N 0.372 109.197 108.800 0.042 0.000 2.414 335 G HA2 -0.190 3.770 3.960 0.000 0.000 0.215 335 G HA3 -0.190 3.770 3.960 0.000 0.000 0.215 335 G C 1.664 176.565 174.900 0.002 0.000 1.188 335 G CA 1.140 46.245 45.100 0.008 0.000 0.783 335 G HN 0.559 nan 8.290 nan 0.000 0.537 336 C N 1.381 120.647 119.300 -0.057 0.000 2.413 336 C HA -0.083 4.377 4.460 0.000 0.000 0.277 336 C C 3.564 178.572 174.990 0.029 0.000 1.228 336 C CA 1.729 60.715 59.018 -0.053 0.000 1.731 336 C CB -0.955 26.735 27.740 -0.083 0.000 2.042 336 C HN 0.613 nan 8.230 nan 0.000 0.468 337 S N 2.301 118.029 115.700 0.047 0.000 2.359 337 S HA -0.207 4.263 4.470 0.000 0.000 0.222 337 S C 2.061 176.731 174.600 0.117 0.000 1.038 337 S CA 1.785 60.029 58.200 0.072 0.000 1.051 337 S CB -0.936 62.308 63.200 0.073 0.000 0.944 337 S HN 0.658 nan 8.310 nan 0.000 0.433 338 A N 0.543 123.467 122.820 0.173 0.000 1.908 338 A HA -0.022 4.298 4.320 0.000 0.000 0.218 338 A C 2.061 179.849 177.584 0.339 0.000 1.181 338 A CA 1.571 53.764 52.037 0.260 0.000 0.627 338 A CB -1.197 17.968 19.000 0.275 0.000 0.818 338 A HN 0.629 nan 8.150 nan 0.000 0.445 339 Y N 0.836 121.152 120.300 0.026 0.000 2.561 339 Y HA -0.046 4.504 4.550 0.000 0.000 0.291 339 Y C 2.436 178.126 175.900 -0.351 0.000 1.141 339 Y CA 1.076 59.002 58.100 -0.290 0.000 1.303 339 Y CB 0.085 38.248 38.460 -0.494 0.000 1.015 339 Y HN 0.446 nan 8.280 nan 0.000 0.547 340 S N -2.324 113.362 115.700 -0.023 0.000 2.554 340 S HA 0.363 4.833 4.470 0.000 0.000 0.226 340 S C 1.591 176.178 174.600 -0.022 0.000 0.980 340 S CA 0.151 58.325 58.200 -0.044 0.000 0.939 340 S CB 0.141 63.336 63.200 -0.009 0.000 0.832 340 S HN 0.450 nan 8.310 nan 0.000 0.486 341 G N 1.524 110.340 108.800 0.027 0.000 2.160 341 G HA2 -0.232 3.728 3.960 0.000 0.000 0.251 341 G HA3 -0.232 3.728 3.960 0.000 0.000 0.251 341 G C -0.141 174.805 174.900 0.076 0.000 1.008 341 G CA 0.326 45.487 45.100 0.102 0.000 0.724 341 G HN 0.629 nan 8.290 nan 0.000 0.514 342 I N 2.050 122.663 120.570 0.072 0.000 2.390 342 I HA 0.318 4.488 4.170 0.000 0.000 0.283 342 I C -2.053 174.097 176.117 0.056 0.000 1.016 342 I CA -2.439 58.893 61.300 0.054 0.000 1.151 342 I CB 2.232 40.269 38.000 0.061 0.000 1.293 342 I HN -0.100 nan 8.210 nan 0.000 0.458 343 P HA 0.200 nan 4.420 nan 0.000 0.279 343 P C 0.603 177.930 177.300 0.045 0.000 1.239 343 P CA -0.373 62.744 63.100 0.028 0.000 0.789 343 P CB 1.728 33.418 31.700 -0.017 0.000 0.933 344 L N 1.250 122.509 121.223 0.061 0.000 2.275 344 L HA -0.010 4.330 4.340 0.000 0.000 0.215 344 L C 1.323 178.241 176.870 0.080 0.000 1.119 344 L CA 1.374 56.258 54.840 0.074 0.000 0.790 344 L CB -0.606 41.496 42.059 0.072 0.000 0.919 344 L HN 0.561 nan 8.230 nan 0.000 0.443 345 T N -3.962 110.633 114.554 0.069 0.000 2.933 345 T HA 0.451 4.801 4.350 0.000 0.000 0.305 345 T C -0.962 173.786 174.700 0.080 0.000 1.092 345 T CA -0.736 61.412 62.100 0.080 0.000 1.008 345 T CB 2.563 71.468 68.868 0.063 0.000 1.102 345 T HN 0.087 nan 8.240 nan 0.000 0.469 346 H N 0.960 119.968 119.070 -0.102 0.000 2.966 346 H HA 0.420 4.976 4.556 0.000 0.000 0.330 346 H C 1.122 176.371 175.328 -0.132 0.000 1.292 346 H CA -0.910 54.980 56.048 -0.264 0.000 1.127 346 H CB 1.901 31.226 29.762 -0.728 0.000 1.863 346 H HN 0.675 nan 8.280 nan 0.000 0.543 347 R N 0.204 120.292 120.500 -0.687 0.000 2.398 347 R HA -0.307 4.033 4.340 0.000 0.000 0.233 347 R C 0.274 176.569 176.300 -0.009 0.000 1.022 347 R CA 2.842 58.755 56.100 -0.312 0.000 0.855 347 R CB -0.405 29.688 30.300 -0.346 0.000 0.962 347 R HN 0.641 nan 8.270 nan 0.000 0.416 348 D N -3.826 116.682 120.400 0.179 0.000 2.489 348 D HA 0.110 4.750 4.640 0.000 0.000 0.343 348 D C 0.765 177.188 176.300 0.204 0.000 1.295 348 D CA -0.175 53.904 54.000 0.132 0.000 0.908 348 D CB 0.072 40.923 40.800 0.085 0.000 1.382 348 D HN 0.171 nan 8.370 nan 0.000 0.468 349 Y N 1.218 121.541 120.300 0.038 0.000 2.014 349 Y HA -0.039 4.511 4.550 0.000 0.000 0.272 349 Y C 1.127 177.066 175.900 0.064 0.000 1.164 349 Y CA 1.230 59.375 58.100 0.074 0.000 1.114 349 Y CB 0.135 38.673 38.460 0.129 0.000 0.961 349 Y HN 0.101 nan 8.280 nan 0.000 0.489 350 A N -1.041 121.939 122.820 0.267 0.000 2.491 350 A HA 0.435 4.755 4.320 0.000 0.000 0.293 350 A C -0.613 177.041 177.584 0.117 0.000 1.047 350 A CA -0.699 51.433 52.037 0.158 0.000 0.735 350 A CB 1.363 20.459 19.000 0.159 0.000 1.281 350 A HN 0.174 nan 8.150 nan 0.000 0.398 351 Q N 0.453 120.301 119.800 0.081 0.000 2.135 351 Q HA 0.287 4.627 4.340 0.000 0.000 0.222 351 Q C -0.181 175.846 176.000 0.045 0.000 0.808 351 Q CA 0.288 56.126 55.803 0.057 0.000 1.049 351 Q CB 1.300 30.064 28.738 0.044 0.000 1.168 351 Q HN 0.591 nan 8.270 nan 0.000 0.483 352 S N 0.202 115.932 115.700 0.050 0.000 2.672 352 S HA 0.595 5.066 4.470 0.000 0.000 0.291 352 S C -0.908 173.717 174.600 0.041 0.000 1.145 352 S CA -0.388 57.834 58.200 0.036 0.000 1.013 352 S CB 1.231 64.449 63.200 0.031 0.000 1.017 352 S HN -0.053 nan 8.310 nan 0.000 0.487 353 V N 5.481 125.414 119.914 0.031 0.000 2.628 353 V HA 0.643 4.763 4.120 0.000 0.000 0.306 353 V C -0.170 175.931 176.094 0.012 0.000 1.045 353 V CA -0.773 61.547 62.300 0.034 0.000 0.905 353 V CB 1.967 33.815 31.823 0.042 0.000 0.997 353 V HN 0.799 nan 8.190 nan 0.000 0.436 354 R N 3.448 123.950 120.500 0.004 0.000 2.561 354 R HA 0.668 5.008 4.340 0.000 0.000 0.297 354 R C -1.735 174.546 176.300 -0.032 0.000 0.969 354 R CA -0.777 55.303 56.100 -0.033 0.000 0.879 354 R CB 1.970 32.229 30.300 -0.069 0.000 1.178 354 R HN 0.486 nan 8.270 nan 0.000 0.445 355 L N 3.605 124.821 121.223 -0.011 0.000 2.276 355 L HA 0.427 4.767 4.340 0.000 0.000 0.286 355 L C -0.449 176.503 176.870 0.136 0.000 1.024 355 L CA -0.394 54.502 54.840 0.094 0.000 0.826 355 L CB 1.618 43.702 42.059 0.041 0.000 1.211 355 L HN 0.308 nan 8.230 nan 0.000 0.422 356 V N 1.273 121.175 119.914 -0.019 0.000 3.177 356 V HA 0.680 4.800 4.120 0.000 0.000 0.319 356 V C 0.162 176.091 176.094 -0.276 0.000 1.125 356 V CA -0.615 61.577 62.300 -0.180 0.000 1.029 356 V CB 2.383 33.845 31.823 -0.602 0.000 1.119 356 V HN 0.702 nan 8.190 nan 0.000 0.452 357 T N 0.690 115.047 114.554 -0.329 0.000 2.912 357 T HA 0.725 5.075 4.350 0.000 0.000 0.288 357 T C 0.092 174.741 174.700 -0.085 0.000 1.030 357 T CA -0.208 61.654 62.100 -0.396 0.000 1.020 357 T CB 1.785 70.332 68.868 -0.535 0.000 1.056 357 T HN 1.049 nan 8.240 nan 0.000 0.480 366 L N 1.059 122.185 121.223 -0.163 0.000 2.277 366 L HA 0.420 4.760 4.340 0.000 0.000 0.254 366 L C -1.083 175.331 176.870 -0.759 0.000 1.044 366 L CA -0.339 54.176 54.840 -0.541 0.000 0.842 366 L CB 1.587 43.101 42.059 -0.907 0.000 1.422 366 L HN 0.356 nan 8.230 nan 0.000 0.422 367 D N -0.162 119.820 120.400 -0.698 0.000 2.518 367 D HA 0.137 4.777 4.640 0.000 0.000 0.230 367 D C 0.390 176.334 176.300 -0.593 0.000 1.138 367 D CA -0.131 53.563 54.000 -0.509 0.000 0.964 367 D CB 0.121 40.769 40.800 -0.254 0.000 1.011 367 D HN 0.351 nan 8.370 nan 0.000 0.517 368 W N 1.604 122.614 121.300 -0.484 0.000 2.350 368 W HA -0.112 4.548 4.660 0.000 0.000 0.289 368 W C 2.139 178.391 176.519 -0.446 0.000 1.215 368 W CA 0.527 57.485 57.345 -0.645 0.000 1.236 368 W CB -0.102 28.625 29.460 -1.221 0.000 1.130 368 W HN 0.422 nan 8.180 nan 0.000 0.541 369 E N 0.572 120.686 120.200 -0.143 0.000 2.150 369 E HA -0.231 4.119 4.350 0.000 0.000 0.193 369 E C 1.871 178.559 176.600 0.147 0.000 0.985 369 E CA 1.106 57.689 56.400 0.305 0.000 0.814 369 E CB -0.448 29.529 29.700 0.461 0.000 0.752 369 E HN 0.445 nan 8.360 nan 0.000 0.466 370 N N -0.373 118.350 118.700 0.039 0.000 2.416 370 N HA -0.055 4.685 4.740 0.000 0.000 0.177 370 N C 1.788 177.307 175.510 0.014 0.000 1.036 370 N CA 0.070 53.130 53.050 0.017 0.000 0.901 370 N CB 0.223 38.691 38.487 -0.031 0.000 0.976 370 N HN 0.157 nan 8.380 nan 0.000 0.444 371 L N -0.099 121.128 121.223 0.007 0.000 2.416 371 L HA 0.227 4.567 4.340 0.000 0.000 0.216 371 L C 1.945 178.906 176.870 0.152 0.000 1.098 371 L CA 0.244 55.114 54.840 0.050 0.000 0.840 371 L CB 0.197 42.257 42.059 0.002 0.000 0.981 371 L HN 0.105 nan 8.230 nan 0.000 0.462 372 A N -0.375 122.553 122.820 0.181 0.000 2.195 372 A HA 0.448 4.768 4.320 0.000 0.000 0.210 372 A C 1.232 178.910 177.584 0.157 0.000 1.165 372 A CA 0.407 52.567 52.037 0.205 0.000 0.806 372 A CB -0.255 18.907 19.000 0.268 0.000 0.847 372 A HN 0.234 nan 8.150 nan 0.000 0.482 373 A N -0.040 122.860 122.820 0.133 0.000 2.366 373 A HA 0.544 4.864 4.320 0.000 0.000 0.249 373 A C 0.142 177.778 177.584 0.087 0.000 1.084 373 A CA -0.021 52.078 52.037 0.103 0.000 0.794 373 A CB 0.269 19.322 19.000 0.088 0.000 1.034 373 A HN 0.475 nan 8.150 nan 0.000 0.491 374 E N -0.378 119.865 120.200 0.072 0.000 2.390 374 E HA 0.548 4.898 4.350 0.000 0.000 0.280 374 E C -1.206 175.425 176.600 0.052 0.000 0.992 374 E CA -0.540 55.899 56.400 0.064 0.000 0.790 374 E CB 1.283 31.024 29.700 0.069 0.000 1.248 374 E HN 0.580 nan 8.360 nan 0.000 0.447 375 K N 1.992 122.426 120.400 0.056 0.000 2.887 375 K HA 0.018 4.338 4.320 0.000 0.000 0.118 375 K C -1.124 175.518 176.600 0.071 0.000 1.111 375 K CA 0.126 56.447 56.287 0.057 0.000 1.070 375 K CB 0.453 32.981 32.500 0.048 0.000 0.936 375 K HN 0.610 nan 8.250 nan 0.000 0.362 376 Q N -0.327 119.518 119.800 0.075 0.000 2.433 376 Q HA 0.523 4.863 4.340 0.000 0.000 0.279 376 Q C -1.038 175.020 176.000 0.096 0.000 1.105 376 Q CA -0.813 55.037 55.803 0.078 0.000 0.815 376 Q CB 2.198 30.972 28.738 0.060 0.000 1.403 376 Q HN -0.134 nan 8.270 nan 0.000 0.435 377 T N 2.016 116.626 114.554 0.094 0.000 2.824 377 T HA 0.541 4.891 4.350 0.000 0.000 0.280 377 T C -0.472 174.282 174.700 0.090 0.000 0.995 377 T CA -0.605 61.560 62.100 0.107 0.000 1.009 377 T CB 0.536 69.470 68.868 0.111 0.000 0.955 377 T HN 0.398 nan 8.240 nan 0.000 0.452 378 L N 2.798 124.093 121.223 0.119 0.000 2.329 378 L HA 0.775 5.115 4.340 0.000 0.000 0.279 378 L C -0.775 176.165 176.870 0.117 0.000 1.014 378 L CA -1.161 53.730 54.840 0.084 0.000 0.814 378 L CB 1.862 44.034 42.059 0.189 0.000 1.257 378 L HN 0.303 nan 8.230 nan 0.000 0.424 379 V N 2.906 122.819 119.914 -0.002 0.000 2.447 379 V HA 0.386 4.506 4.120 0.000 0.000 0.292 379 V C -0.805 175.316 176.094 0.045 0.000 1.021 379 V CA -0.372 61.993 62.300 0.108 0.000 0.850 379 V CB 1.510 33.427 31.823 0.158 0.000 1.005 379 V HN 0.379 nan 8.190 nan 0.000 0.426 380 F N 4.532 124.564 119.950 0.136 0.000 2.391 380 F HA 0.602 5.129 4.527 0.000 0.000 0.359 380 F C -0.063 175.807 175.800 0.116 0.000 1.122 380 F CA -0.604 57.479 58.000 0.138 0.000 1.120 380 F CB 0.873 39.921 39.000 0.080 0.000 1.142 380 F HN 0.353 nan 8.300 nan 0.000 0.483 381 Y N 2.695 123.031 120.300 0.059 0.000 2.352 381 Y HA 0.379 4.929 4.550 0.000 0.000 0.326 381 Y C 0.585 176.456 175.900 -0.049 0.000 1.166 381 Y CA -1.503 56.596 58.100 -0.002 0.000 1.182 381 Y CB 1.065 39.487 38.460 -0.064 0.000 1.216 381 Y HN 0.521 nan 8.280 nan 0.000 0.474 382 M N 1.617 121.285 119.600 0.113 0.000 2.249 382 M HA -0.209 4.271 4.480 0.000 0.000 0.198 382 M C 0.342 176.675 176.300 0.054 0.000 0.394 382 M CA 1.169 56.500 55.300 0.052 0.000 0.427 382 M CB -1.726 30.876 32.600 0.003 0.000 1.307 382 M HN 0.927 nan 8.290 nan 0.000 0.924 383 G N -0.659 108.184 108.800 0.072 0.000 4.424 383 G HA2 0.440 4.400 3.960 0.000 0.000 0.287 383 G HA3 0.440 4.400 3.960 0.000 0.000 0.287 383 G C 0.670 175.578 174.900 0.013 0.000 1.023 383 G CA -0.399 44.736 45.100 0.058 0.000 0.790 383 G HN 0.460 nan 8.290 nan 0.000 0.468 384 L N -0.312 120.917 121.223 0.010 0.000 2.191 384 L HA 0.001 4.341 4.340 0.000 0.000 0.212 384 L C 1.550 178.414 176.870 -0.010 0.000 1.103 384 L CA 0.852 55.690 54.840 -0.004 0.000 0.769 384 L CB 0.153 42.212 42.059 -0.000 0.000 0.908 384 L HN 0.213 nan 8.230 nan 0.000 0.438 385 N N -1.135 117.563 118.700 -0.003 0.000 2.234 385 N HA 0.030 4.770 4.740 0.000 0.000 0.227 385 N C 0.670 176.176 175.510 -0.006 0.000 1.151 385 N CA 0.146 53.193 53.050 -0.006 0.000 0.865 385 N CB 0.864 39.350 38.487 -0.000 0.000 1.066 385 N HN 0.387 nan 8.380 nan 0.000 0.515 386 Q N -0.475 119.322 119.800 -0.005 0.000 2.139 386 Q HA 0.303 4.643 4.340 0.000 0.000 0.219 386 Q C 1.089 177.068 176.000 -0.035 0.000 0.805 386 Q CA -0.174 55.631 55.803 0.003 0.000 1.024 386 Q CB 0.938 29.705 28.738 0.047 0.000 1.163 386 Q HN 0.229 nan 8.270 nan 0.000 0.485 387 A N 0.417 123.201 122.820 -0.059 0.000 1.972 387 A HA -0.068 4.252 4.320 0.000 0.000 0.219 387 A C 2.109 179.626 177.584 -0.111 0.000 1.169 387 A CA 1.641 53.615 52.037 -0.105 0.000 0.635 387 A CB -0.232 18.718 19.000 -0.084 0.000 0.810 387 A HN 0.354 nan 8.150 nan 0.000 0.446 388 A N -0.318 122.451 122.820 -0.085 0.000 1.969 388 A HA -0.055 4.265 4.320 0.000 0.000 0.218 388 A C 2.354 179.861 177.584 -0.127 0.000 1.169 388 A CA 2.219 54.203 52.037 -0.089 0.000 0.635 388 A CB -1.152 17.810 19.000 -0.064 0.000 0.810 388 A HN 0.772 nan 8.150 nan 0.000 0.445 389 T N -2.399 112.072 114.554 -0.138 0.000 3.085 389 T HA 0.128 4.478 4.350 0.000 0.000 0.263 389 T C 1.658 176.115 174.700 -0.405 0.000 1.127 389 T CA 1.003 62.972 62.100 -0.218 0.000 1.103 389 T CB -0.437 68.343 68.868 -0.146 0.000 0.921 389 T HN 0.365 nan 8.240 nan 0.000 0.510 390 I N 1.559 121.948 120.570 -0.301 0.000 2.400 390 I HA -0.100 4.070 4.170 0.000 0.000 0.248 390 I C 2.944 178.888 176.117 -0.288 0.000 1.109 390 I CA 1.372 62.469 61.300 -0.339 0.000 1.425 390 I CB -0.334 37.515 38.000 -0.252 0.000 1.094 390 I HN 0.422 nan 8.210 nan 0.000 0.425 391 Q N 1.168 120.846 119.800 -0.203 0.000 2.137 391 Q HA -0.202 4.138 4.340 0.000 0.000 0.198 391 Q C 1.948 177.868 176.000 -0.134 0.000 0.960 391 Q CA 1.349 57.076 55.803 -0.127 0.000 0.847 391 Q CB -0.365 28.319 28.738 -0.089 0.000 0.915 391 Q HN 0.463 nan 8.270 nan 0.000 0.448 392 E N 0.718 120.813 120.200 -0.175 0.000 2.077 392 E HA -0.170 4.180 4.350 0.000 0.000 0.193 392 E C 1.728 178.218 176.600 -0.183 0.000 0.989 392 E CA 1.049 57.358 56.400 -0.151 0.000 0.800 392 E CB 0.231 29.842 29.700 -0.148 0.000 0.746 392 E HN 0.170 nan 8.360 nan 0.000 0.452 393 K N 0.247 120.420 120.400 -0.379 0.000 2.076 393 K HA -0.045 4.275 4.320 0.000 0.000 0.204 393 K C 2.279 178.799 176.600 -0.134 0.000 1.051 393 K CA 0.643 56.640 56.287 -0.483 0.000 0.949 393 K CB -0.316 31.226 32.500 -1.596 0.000 0.726 393 K HN 0.265 nan 8.250 nan 0.000 0.443 394 L N 0.688 121.843 121.223 -0.114 0.000 2.046 394 L HA -0.130 4.210 4.340 0.000 0.000 0.208 394 L C 2.410 179.355 176.870 0.125 0.000 1.077 394 L CA 1.043 55.952 54.840 0.116 0.000 0.747 394 L CB -0.375 41.757 42.059 0.121 0.000 0.896 394 L HN 0.078 nan 8.230 nan 0.000 0.432 395 I N -0.354 120.245 120.570 0.048 0.000 2.315 395 I HA -0.253 3.917 4.170 0.000 0.000 0.248 395 I C 2.723 178.874 176.117 0.057 0.000 1.117 395 I CA 1.054 62.380 61.300 0.043 0.000 1.404 395 I CB -0.388 37.613 38.000 0.002 0.000 1.071 395 I HN 0.194 nan 8.210 nan 0.000 0.419 396 A N 0.372 123.233 122.820 0.068 0.000 1.930 396 A HA -0.127 4.193 4.320 0.000 0.000 0.217 396 A C 1.800 179.407 177.584 0.038 0.000 1.175 396 A CA 1.264 53.325 52.037 0.040 0.000 0.627 396 A CB -0.730 18.293 19.000 0.038 0.000 0.815 396 A HN 0.365 nan 8.150 nan 0.000 0.443 397 F N -0.444 119.521 119.950 0.025 0.000 2.769 397 F HA 0.345 4.872 4.527 0.000 0.000 0.304 397 F C 1.721 177.561 175.800 0.067 0.000 1.158 397 F CA 0.721 58.764 58.000 0.072 0.000 1.398 397 F CB 0.226 39.317 39.000 0.151 0.000 1.094 397 F HN 0.368 nan 8.300 nan 0.000 0.553 398 G N 0.020 108.916 108.800 0.160 0.000 2.175 398 G HA2 -0.246 3.714 3.960 0.000 0.000 0.182 398 G HA3 -0.246 3.714 3.960 0.000 0.000 0.182 398 G C 0.257 175.218 174.900 0.102 0.000 1.003 398 G CA -0.365 44.800 45.100 0.108 0.000 0.666 398 G HN 0.220 nan 8.290 nan 0.000 0.506 399 M N 2.017 121.686 119.600 0.115 0.000 2.108 399 M HA 0.396 4.876 4.480 0.000 0.000 0.354 399 M C 0.710 177.047 176.300 0.062 0.000 1.229 399 M CA -0.459 54.898 55.300 0.094 0.000 1.081 399 M CB 0.861 33.531 32.600 0.116 0.000 1.606 399 M HN 0.263 nan 8.290 nan 0.000 0.467 400 Q N 3.449 123.279 119.800 0.049 0.000 2.264 400 Q HA -0.015 4.325 4.340 0.000 0.000 0.296 400 Q C 0.685 176.702 176.000 0.027 0.000 1.103 400 Q CA 0.245 56.066 55.803 0.031 0.000 0.967 400 Q CB 0.733 29.487 28.738 0.026 0.000 1.090 400 Q HN 0.926 nan 8.270 nan 0.000 0.379 401 A N 4.228 127.058 122.820 0.017 0.000 2.259 401 A HA -0.146 4.174 4.320 0.000 0.000 0.212 401 A C 0.849 178.438 177.584 0.008 0.000 1.178 401 A CA 1.309 53.352 52.037 0.011 0.000 0.734 401 A CB -0.147 18.855 19.000 0.003 0.000 0.774 401 A HN 0.910 nan 8.150 nan 0.000 0.481 402 D N -1.698 118.707 120.400 0.009 0.000 2.340 402 D HA 0.058 4.698 4.640 0.000 0.000 0.217 402 D C 0.518 176.825 176.300 0.011 0.000 1.081 402 D CA -0.150 53.852 54.000 0.005 0.000 0.842 402 D CB -0.335 40.465 40.800 0.000 0.000 0.934 402 D HN 0.203 nan 8.370 nan 0.000 0.511 403 M N 2.672 122.285 119.600 0.021 0.000 2.268 403 M HA 0.167 4.647 4.480 0.000 0.000 0.349 403 M C -2.347 173.977 176.300 0.040 0.000 1.485 403 M CA -1.259 54.061 55.300 0.034 0.000 1.094 403 M CB 0.839 33.468 32.600 0.048 0.000 1.843 403 M HN -0.077 nan 8.290 nan 0.000 0.460 404 P HA 0.234 nan 4.420 nan 0.000 0.271 404 P C -0.894 176.451 177.300 0.075 0.000 1.218 404 P CA -0.228 62.906 63.100 0.056 0.000 0.780 404 P CB 0.762 32.501 31.700 0.065 0.000 0.901 405 V N -1.325 118.634 119.914 0.075 0.000 3.160 405 V HA 1.001 5.121 4.120 0.000 0.000 0.310 405 V C -1.055 175.096 176.094 0.096 0.000 1.181 405 V CA -1.360 60.989 62.300 0.082 0.000 1.047 405 V CB 1.579 33.435 31.823 0.056 0.000 1.068 405 V HN 0.815 nan 8.190 nan 0.000 0.441 406 A N 2.188 125.060 122.820 0.087 0.000 2.574 406 A HA 0.868 5.188 4.320 0.000 0.000 0.297 406 A C -1.491 176.125 177.584 0.052 0.000 1.062 406 A CA -0.670 51.415 52.037 0.080 0.000 0.686 406 A CB 1.761 20.808 19.000 0.077 0.000 1.285 406 A HN 1.149 nan 8.150 nan 0.000 0.403 407 L N 1.994 123.236 121.223 0.031 0.000 2.376 407 L HA 0.552 4.892 4.340 0.000 0.000 0.275 407 L C -0.984 175.883 176.870 -0.004 0.000 0.987 407 L CA -0.979 53.869 54.840 0.014 0.000 0.828 407 L CB 1.716 43.781 42.059 0.010 0.000 1.249 407 L HN 0.434 nan 8.230 nan 0.000 0.409 408 V N 2.402 122.307 119.914 -0.015 0.000 2.370 408 V HA 0.274 4.394 4.120 0.000 0.000 0.279 408 V C 0.073 176.146 176.094 -0.036 0.000 1.029 408 V CA -0.488 61.794 62.300 -0.029 0.000 0.870 408 V CB 1.758 33.556 31.823 -0.041 0.000 0.984 408 V HN 0.743 nan 8.190 nan 0.000 0.451 409 E N 4.205 124.389 120.200 -0.026 0.000 2.133 409 E HA 0.360 4.710 4.350 0.000 0.000 0.274 409 E C -0.064 176.520 176.600 -0.027 0.000 0.930 409 E CA -0.470 55.916 56.400 -0.023 0.000 0.770 409 E CB 0.406 30.101 29.700 -0.009 0.000 1.104 409 E HN 0.776 nan 8.360 nan 0.000 0.403 410 N N 2.563 121.240 118.700 -0.037 0.000 2.727 410 N HA -0.180 4.560 4.740 0.000 0.000 0.251 410 N C -0.169 175.294 175.510 -0.078 0.000 1.040 410 N CA 0.384 53.408 53.050 -0.044 0.000 0.712 410 N CB -0.720 37.755 38.487 -0.019 0.000 0.912 410 N HN 0.619 nan 8.380 nan 0.000 0.545 411 G N 0.103 108.833 108.800 -0.116 0.000 2.474 411 G HA2 0.265 4.225 3.960 0.000 0.000 0.233 411 G HA3 0.265 4.225 3.960 0.000 0.000 0.233 411 G C 1.088 175.784 174.900 -0.340 0.000 1.278 411 G CA 0.716 45.699 45.100 -0.195 0.000 0.861 411 G HN 1.073 nan 8.290 nan 0.000 0.567 412 T N -2.335 111.846 114.554 -0.621 0.000 8.285 412 T HA -0.335 4.015 4.350 0.000 0.000 0.317 412 T C 0.956 175.357 174.700 -0.498 0.000 2.029 412 T CA 2.079 63.505 62.100 -1.124 0.000 3.092 412 T CB -2.343 65.861 68.868 -1.107 0.000 2.254 412 T HN 2.248 nan 8.240 nan 0.000 1.172 413 S N -0.343 115.244 115.700 -0.188 0.000 2.672 413 S HA 0.674 5.144 4.470 0.000 0.000 0.276 413 S C 1.396 176.115 174.600 0.198 0.000 1.207 413 S CA -0.214 57.992 58.200 0.010 0.000 1.002 413 S CB 1.928 65.121 63.200 -0.011 0.000 0.998 413 S HN 0.624 nan 8.310 nan 0.000 0.542 414 V N 1.740 121.750 119.914 0.160 0.000 2.867 414 V HA -0.022 4.099 4.120 0.000 0.000 0.260 414 V C 1.694 177.802 176.094 0.024 0.000 1.099 414 V CA 1.437 63.804 62.300 0.111 0.000 1.122 414 V CB -0.679 31.172 31.823 0.046 0.000 0.708 414 V HN 0.732 nan 8.190 nan 0.000 0.490 415 K N 0.175 120.592 120.400 0.028 0.000 2.397 415 K HA 0.170 4.490 4.320 0.000 0.000 0.202 415 K C 0.743 177.347 176.600 0.008 0.000 1.022 415 K CA -0.098 56.183 56.287 -0.010 0.000 1.141 415 K CB 0.134 32.630 32.500 -0.007 0.000 0.857 415 K HN 0.614 nan 8.250 nan 0.000 0.514 416 Q N 1.485 121.320 119.800 0.058 0.000 2.361 416 Q HA 0.013 4.353 4.340 0.000 0.000 0.276 416 Q C -0.858 175.174 176.000 0.054 0.000 1.022 416 Q CA 0.603 56.443 55.803 0.061 0.000 0.898 416 Q CB 0.575 29.387 28.738 0.122 0.000 1.246 416 Q HN 0.041 nan 8.270 nan 0.000 0.410 417 R N 2.061 122.581 120.500 0.033 0.000 2.673 417 R HA 0.621 4.961 4.340 0.000 0.000 0.281 417 R C -1.523 174.778 176.300 0.002 0.000 0.991 417 R CA -0.842 55.279 56.100 0.034 0.000 0.896 417 R CB 2.362 32.679 30.300 0.029 0.000 1.201 417 R HN 0.415 nan 8.270 nan 0.000 0.457 418 V N 2.763 122.661 119.914 -0.026 0.000 2.588 418 V HA 0.516 4.636 4.120 0.000 0.000 0.304 418 V C -0.586 175.425 176.094 -0.138 0.000 1.042 418 V CA -0.825 61.429 62.300 -0.077 0.000 0.877 418 V CB 1.971 33.731 31.823 -0.105 0.000 0.996 418 V HN 0.600 nan 8.190 nan 0.000 0.425 419 V N 3.783 123.643 119.914 -0.091 0.000 2.735 419 V HA 0.905 5.025 4.120 0.000 0.000 0.310 419 V C -0.876 175.252 176.094 0.056 0.000 1.061 419 V CA -0.188 62.092 62.300 -0.034 0.000 0.913 419 V CB 1.859 33.705 31.823 0.037 0.000 1.005 419 V HN 1.085 nan 8.190 nan 0.000 0.428 420 H N 2.880 121.958 119.070 0.012 0.000 2.949 420 H HA 1.041 5.597 4.556 0.000 0.000 0.310 420 H C 0.179 175.514 175.328 0.012 0.000 1.405 420 H CA -1.170 54.887 56.048 0.016 0.000 1.253 420 H CB 1.333 31.107 29.762 0.020 0.000 1.932 420 H HN 1.459 nan 8.280 nan 0.000 0.602 421 G N -1.155 107.688 108.800 0.072 0.000 2.403 421 G HA2 0.385 4.345 3.960 0.000 0.000 0.223 421 G HA3 0.385 4.345 3.960 0.000 0.000 0.223 421 G C -1.800 173.100 174.900 0.001 0.000 1.287 421 G CA -0.083 45.004 45.100 -0.023 0.000 0.982 421 G HN 0.693 nan 8.290 nan 0.000 0.471 422 V N 0.897 120.809 119.914 -0.003 0.000 3.102 422 V HA 0.480 4.600 4.120 0.000 0.000 0.312 422 V C 1.685 177.782 176.094 0.005 0.000 1.135 422 V CA -0.587 61.716 62.300 0.005 0.000 1.022 422 V CB 1.567 33.387 31.823 -0.005 0.000 1.056 422 V HN 0.859 nan 8.190 nan 0.000 0.436 423 L N 1.402 122.631 121.223 0.009 0.000 2.011 423 L HA -0.290 4.050 4.340 0.000 0.000 0.225 423 L C 2.658 179.520 176.870 -0.013 0.000 1.084 423 L CA 2.720 57.560 54.840 0.001 0.000 0.791 423 L CB -0.456 41.609 42.059 0.009 0.000 0.898 423 L HN 1.113 nan 8.230 nan 0.000 0.440 424 T N -3.441 111.107 114.554 -0.011 0.000 2.996 424 T HA -0.240 4.110 4.350 0.000 0.000 0.271 424 T C 1.387 176.076 174.700 -0.019 0.000 1.126 424 T CA 1.394 63.484 62.100 -0.017 0.000 1.103 424 T CB -0.247 68.612 68.868 -0.014 0.000 0.870 424 T HN 0.551 nan 8.240 nan 0.000 0.528 425 Q N -0.458 119.333 119.800 -0.015 0.000 2.246 425 Q HA 0.444 4.784 4.340 0.000 0.000 0.222 425 Q C 2.021 178.013 176.000 -0.013 0.000 0.851 425 Q CA -0.327 55.468 55.803 -0.013 0.000 0.945 425 Q CB 0.036 28.770 28.738 -0.007 0.000 1.122 425 Q HN 0.390 nan 8.270 nan 0.000 0.508 426 L N 0.975 122.187 121.223 -0.019 0.000 1.976 426 L HA -0.265 4.075 4.340 0.000 0.000 0.223 426 L C 2.090 178.938 176.870 -0.036 0.000 1.081 426 L CA 2.136 56.959 54.840 -0.029 0.000 0.784 426 L CB -0.744 41.284 42.059 -0.051 0.000 0.896 426 L HN 0.415 nan 8.230 nan 0.000 0.438 427 G N -1.265 107.508 108.800 -0.045 0.000 2.475 427 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 427 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 427 G C 1.253 176.137 174.900 -0.028 0.000 1.125 427 G CA 1.032 46.106 45.100 -0.044 0.000 0.755 427 G HN 0.607 nan 8.290 nan 0.000 0.565 428 E N 0.115 120.302 120.200 -0.021 0.000 2.015 428 E HA -0.002 4.348 4.350 0.000 0.000 0.191 428 E C 2.561 179.158 176.600 -0.005 0.000 0.991 428 E CA 0.605 56.998 56.400 -0.012 0.000 0.802 428 E CB -0.284 29.411 29.700 -0.009 0.000 0.759 428 E HN 0.361 nan 8.360 nan 0.000 0.447 429 L N 0.992 122.216 121.223 0.001 0.000 2.127 429 L HA -0.196 4.144 4.340 0.000 0.000 0.211 429 L C 2.571 179.444 176.870 0.004 0.000 1.089 429 L CA 0.870 55.717 54.840 0.012 0.000 0.757 429 L CB -0.603 41.471 42.059 0.025 0.000 0.899 429 L HN 0.165 nan 8.230 nan 0.000 0.434 430 A N -0.626 122.190 122.820 -0.007 0.000 2.139 430 A HA -0.235 4.085 4.320 0.000 0.000 0.221 430 A C 2.148 179.727 177.584 -0.007 0.000 1.159 430 A CA 1.519 53.549 52.037 -0.012 0.000 0.662 430 A CB -0.350 18.635 19.000 -0.025 0.000 0.796 430 A HN 0.561 nan 8.150 nan 0.000 0.463 431 Q N -1.397 118.400 119.800 -0.005 0.000 2.356 431 Q HA 0.048 4.388 4.340 0.000 0.000 0.205 431 Q C 1.640 177.641 176.000 0.002 0.000 0.901 431 Q CA 0.238 56.039 55.803 -0.003 0.000 0.938 431 Q CB 0.205 28.941 28.738 -0.004 0.000 1.081 431 Q HN 0.771 nan 8.270 nan 0.000 0.517 432 Q N 0.048 119.852 119.800 0.005 0.000 2.389 432 Q HA 0.018 4.358 4.340 0.000 0.000 0.204 432 Q C 0.634 176.640 176.000 0.009 0.000 0.944 432 Q CA 0.470 56.279 55.803 0.010 0.000 0.908 432 Q CB 0.733 29.481 28.738 0.017 0.000 1.002 432 Q HN 0.157 nan 8.270 nan 0.000 0.493 433 V N -3.147 116.770 119.914 0.006 0.000 3.126 433 V HA 0.566 4.686 4.120 0.000 0.000 0.314 433 V C -0.583 175.513 176.094 0.002 0.000 1.138 433 V CA -1.059 61.244 62.300 0.004 0.000 1.034 433 V CB 2.353 34.177 31.823 0.002 0.000 1.075 433 V HN -0.096 nan 8.190 nan 0.000 0.442 434 E N 0.286 120.487 120.200 0.002 0.000 2.423 434 E HA 0.478 4.828 4.350 0.000 0.000 0.269 434 E C -0.888 175.713 176.600 0.001 0.000 0.948 434 E CA -0.649 55.752 56.400 0.002 0.000 0.802 434 E CB 2.228 31.931 29.700 0.004 0.000 1.339 434 E HN 0.914 nan 8.360 nan 0.000 0.445 435 S N 1.473 117.175 115.700 0.003 0.000 2.592 435 S HA 0.301 4.771 4.470 0.000 0.000 0.271 435 S C -2.069 172.534 174.600 0.005 0.000 1.326 435 S CA -0.960 57.242 58.200 0.003 0.000 1.024 435 S CB 0.237 63.443 63.200 0.009 0.000 0.921 435 S HN 0.268 nan 8.310 nan 0.000 0.527 436 P HA 0.494 nan 4.420 nan 0.000 0.287 436 P C -1.226 176.061 177.300 -0.021 0.000 1.281 436 P CA -0.403 62.694 63.100 -0.005 0.000 0.781 436 P CB 0.994 32.693 31.700 -0.002 0.000 0.903 437 A N 3.694 126.499 122.820 -0.024 0.000 2.515 437 A HA 0.752 5.072 4.320 0.000 0.000 0.296 437 A C -1.394 176.159 177.584 -0.052 0.000 1.094 437 A CA -0.856 51.160 52.037 -0.035 0.000 0.718 437 A CB 1.502 20.492 19.000 -0.018 0.000 1.307 437 A HN 0.581 nan 8.150 nan 0.000 0.408 438 L N 1.038 122.222 121.223 -0.064 0.000 2.341 438 L HA 0.672 5.012 4.340 0.000 0.000 0.267 438 L C -1.262 175.607 176.870 -0.002 0.000 1.009 438 L CA -0.830 53.962 54.840 -0.080 0.000 0.819 438 L CB 1.832 43.791 42.059 -0.167 0.000 1.323 438 L HN 0.666 nan 8.230 nan 0.000 0.425 439 I N 4.199 124.812 120.570 0.071 0.000 2.418 439 I HA 0.383 4.553 4.170 0.000 0.000 0.287 439 I C -0.688 175.551 176.117 0.203 0.000 1.008 439 I CA -0.424 60.945 61.300 0.115 0.000 1.104 439 I CB 1.937 39.987 38.000 0.083 0.000 1.264 439 I HN 0.394 nan 8.210 nan 0.000 0.438 440 I N 7.007 127.665 120.570 0.146 0.000 2.330 440 I HA 0.360 4.530 4.170 0.000 0.000 0.289 440 I C -0.513 175.707 176.117 0.170 0.000 1.001 440 I CA -0.753 60.644 61.300 0.162 0.000 1.193 440 I CB 1.747 39.812 38.000 0.109 0.000 1.345 440 I HN 0.178 nan 8.210 nan 0.000 0.461 441 V N 5.634 125.682 119.914 0.223 0.000 2.417 441 V HA 0.934 5.054 4.120 0.000 0.000 0.291 441 V C 0.358 176.554 176.094 0.170 0.000 1.024 441 V CA -0.250 62.167 62.300 0.196 0.000 0.861 441 V CB 1.244 33.223 31.823 0.260 0.000 0.985 441 V HN 1.037 nan 8.190 nan 0.000 0.436 442 G N 3.989 112.872 108.800 0.138 0.000 2.345 442 G HA2 0.149 4.109 3.960 0.000 0.000 0.310 442 G HA3 0.149 4.109 3.960 0.000 0.000 0.310 442 G C -0.230 174.749 174.900 0.132 0.000 1.476 442 G CA -0.562 44.618 45.100 0.133 0.000 0.978 442 G HN 0.522 nan 8.290 nan 0.000 0.656 443 R N -0.449 120.132 120.500 0.135 0.000 2.096 443 R HA -0.069 4.271 4.340 0.000 0.000 0.235 443 R C 2.826 179.284 176.300 0.263 0.000 1.127 443 R CA 2.431 58.615 56.100 0.140 0.000 0.968 443 R CB -0.367 29.955 30.300 0.037 0.000 0.861 443 R HN 1.018 nan 8.270 nan 0.000 0.440 444 V N -1.917 118.189 119.914 0.320 0.000 2.944 444 V HA -0.131 3.989 4.120 0.000 0.000 0.265 444 V C 1.723 177.905 176.094 0.145 0.000 1.125 444 V CA 1.431 63.880 62.300 0.248 0.000 1.145 444 V CB -0.560 31.354 31.823 0.153 0.000 0.725 444 V HN 0.055 nan 8.190 nan 0.000 0.510 445 V N 0.602 120.602 119.914 0.143 0.000 3.217 445 V HA 0.065 4.185 4.120 0.000 0.000 0.264 445 V C 2.821 178.984 176.094 0.115 0.000 1.135 445 V CA 1.416 63.786 62.300 0.116 0.000 1.142 445 V CB -0.709 31.183 31.823 0.115 0.000 0.754 445 V HN 0.658 nan 8.190 nan 0.000 0.484 446 A N -0.314 122.582 122.820 0.128 0.000 2.119 446 A HA 0.071 4.391 4.320 0.000 0.000 0.216 446 A C 1.983 179.626 177.584 0.099 0.000 1.152 446 A CA 0.809 52.913 52.037 0.112 0.000 0.708 446 A CB -0.317 18.754 19.000 0.118 0.000 0.805 446 A HN 0.523 nan 8.150 nan 0.000 0.460 447 L N -0.972 120.300 121.223 0.081 0.000 2.610 447 L HA 0.005 4.345 4.340 0.000 0.000 0.232 447 L C 2.437 179.324 176.870 0.029 0.000 1.149 447 L CA 0.198 55.048 54.840 0.017 0.000 0.872 447 L CB -0.353 41.648 42.059 -0.096 0.000 0.992 447 L HN 0.452 nan 8.230 nan 0.000 0.447 448 R N 0.751 121.287 120.500 0.060 0.000 2.112 448 R HA -0.193 4.147 4.340 0.000 0.000 0.242 448 R C 0.063 176.399 176.300 0.060 0.000 1.137 448 R CA 1.708 57.846 56.100 0.062 0.000 0.944 448 R CB 0.004 30.355 30.300 0.085 0.000 0.857 448 R HN 0.220 nan 8.270 nan 0.000 0.435 449 D N -0.270 120.171 120.400 0.068 0.000 2.781 449 D HA 0.144 4.784 4.640 0.000 0.000 0.254 449 D C 0.144 176.474 176.300 0.050 0.000 1.213 449 D CA 0.254 54.290 54.000 0.060 0.000 0.994 449 D CB 0.934 41.774 40.800 0.067 0.000 1.019 449 D HN 0.208 nan 8.370 nan 0.000 0.514 450 K N 0.212 120.639 120.400 0.046 0.000 2.353 450 K HA 0.126 4.446 4.320 0.000 0.000 0.168 450 K C 0.286 176.909 176.600 0.040 0.000 1.921 450 K CA 0.090 56.399 56.287 0.036 0.000 1.081 450 K CB 0.588 33.102 32.500 0.024 0.000 1.821 450 K HN 0.109 nan 8.250 nan 0.000 0.527 451 L N 0.975 122.232 121.223 0.055 0.000 3.217 451 L HA 0.289 4.629 4.340 0.000 0.000 0.288 451 L C 0.122 177.098 176.870 0.178 0.000 1.202 451 L CA -0.481 54.415 54.840 0.093 0.000 1.027 451 L CB 0.619 42.711 42.059 0.056 0.000 1.427 451 L HN 0.026 nan 8.230 nan 0.000 0.600 452 N N 1.940 120.712 118.700 0.120 0.000 2.447 452 N HA -0.068 4.672 4.740 0.000 0.000 0.263 452 N C 0.433 176.037 175.510 0.157 0.000 1.226 452 N CA 0.329 53.428 53.050 0.082 0.000 0.906 452 N CB 0.512 39.014 38.487 0.024 0.000 1.060 452 N HN 0.385 nan 8.380 nan 0.000 0.468 453 W N 3.528 124.850 121.300 0.037 0.000 2.199 453 W HA 0.199 4.859 4.660 0.000 0.000 0.264 453 W C 0.117 176.680 176.519 0.075 0.000 0.923 453 W CA -0.304 57.059 57.345 0.030 0.000 1.221 453 W CB -0.643 28.814 29.460 -0.005 0.000 0.974 453 W HN 0.380 nan 8.180 nan 0.000 0.562 454 F N 2.681 122.058 119.950 -0.955 0.000 2.274 454 F HA 0.409 4.936 4.527 0.000 0.000 0.288 454 F C 0.796 176.413 175.800 -0.306 0.000 1.069 454 F CA 1.241 58.731 58.000 -0.850 0.000 1.343 454 F CB 0.111 38.404 39.000 -1.179 0.000 1.089 454 F HN -0.301 nan 8.300 nan 0.000 0.517 455 S N -0.567 115.006 115.700 -0.211 0.000 2.661 455 S HA 0.304 4.774 4.470 0.000 0.000 0.285 455 S C -0.287 174.303 174.600 -0.017 0.000 1.138 455 S CA -0.637 57.478 58.200 -0.142 0.000 0.855 455 S CB 1.670 64.844 63.200 -0.043 0.000 1.136 455 S HN 0.139 nan 8.310 nan 0.000 0.484 456 N N 0.636 119.381 118.700 0.075 0.000 2.214 456 N HA 0.236 4.976 4.740 0.000 0.000 0.214 456 N C -0.328 175.106 175.510 -0.126 0.000 1.132 456 N CA 0.124 53.159 53.050 -0.025 0.000 0.856 456 N CB 0.175 38.627 38.487 -0.058 0.000 1.020 456 N HN 0.500 nan 8.380 nan 0.000 0.509 457 H N 0.000 119.027 119.070 -0.071 0.000 2.539 457 H HA 0.000 4.556 4.556 0.000 0.000 0.296 457 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 457 H CB 0.000 29.733 29.762 -0.048 0.000 1.292 457 H HN 0.000 nan 8.280 nan 0.000 0.496