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 2btq_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVNNTIVVSI GQAGNQIAAS FWKTVCLEHG IDPLTGQTAP GVAPRGNWSS DATA SEQUENCE FFSKLGESSS GSYVPRAIMV DLEPSVIDNV KATSGSLFNP ANLISRTEGA DATA SEQUENCE GGNFAVGYLG AGREVLPEVM SRLDYEIDKC DNVGGIIVLH AIGGGTGSGF DATA SEQUENCE GALLIESLKE KYGEIPVLSC AVLPSPQVSS VVTEPYNTVF ALNTLRRSAD DATA SEQUENCE ACLIFDNEAL FDLAHRKWNI ESPTVDDLNL LITEALAGIT ASMRFSGFLT DATA SEQUENCE VEISLRELLT NLVPQPSLHF LMCAFAPLTP PDXXXXXELG IEEMIKSLFD DATA SEQUENCE NGSVFAACSP MEGRFLSTAV LYRGIMEDKP LADAALAAMR EKLPLTYWIP DATA SEQUENCE TAFKIGYVEQ PGISHRKSMV LLANNTEIAR VLDRICHNFD KLWQRKAFAN DATA SEQUENCE WYLNEGMSEE QINVLRASAQ ELVQSYQVAE ESGAKAKVQD SA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.568 176.600 -0.053 0.000 0.988 2 K CA 0.000 56.260 56.287 -0.046 0.000 0.838 2 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 3 V N 1.874 121.743 119.914 -0.075 0.000 3.181 3 V HA 0.447 4.566 4.120 -0.000 0.000 0.308 3 V C -0.986 175.072 176.094 -0.061 0.000 1.214 3 V CA -0.928 61.334 62.300 -0.064 0.000 1.053 3 V CB 2.440 34.212 31.823 -0.085 0.000 1.069 3 V HN 0.706 nan 8.190 nan 0.000 0.441 4 N N 2.066 120.740 118.700 -0.042 0.000 2.503 4 N HA 0.293 5.032 4.740 -0.000 0.000 0.267 4 N C -0.810 174.662 175.510 -0.063 0.000 1.214 4 N CA 0.116 53.138 53.050 -0.046 0.000 0.959 4 N CB 0.624 39.093 38.487 -0.031 0.000 1.142 4 N HN 0.669 nan 8.380 nan 0.000 0.455 5 N N -0.735 117.912 118.700 -0.088 0.000 2.430 5 N HA 0.426 5.166 4.740 -0.000 0.000 0.298 5 N C -1.023 174.368 175.510 -0.200 0.000 1.130 5 N CA -0.220 52.753 53.050 -0.128 0.000 0.894 5 N CB 1.551 39.968 38.487 -0.115 0.000 1.209 5 N HN 0.261 nan 8.380 nan 0.000 0.503 6 T N 1.214 115.560 114.554 -0.347 0.000 2.928 6 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 6 T C -0.641 173.765 174.700 -0.490 0.000 1.000 6 T CA -0.424 61.376 62.100 -0.500 0.000 0.989 6 T CB 0.474 68.834 68.868 -0.847 0.000 1.005 6 T HN 0.243 nan 8.240 nan 0.000 0.442 7 I N 2.827 123.221 120.570 -0.294 0.000 2.412 7 I HA 0.543 4.712 4.170 -0.000 0.000 0.296 7 I C -0.433 175.620 176.117 -0.106 0.000 0.987 7 I CA -1.186 60.015 61.300 -0.165 0.000 1.180 7 I CB 1.903 39.820 38.000 -0.139 0.000 1.340 7 I HN 0.248 nan 8.210 nan 0.000 0.455 8 V N 6.666 126.609 119.914 0.049 0.000 2.304 8 V HA 0.260 4.380 4.120 -0.000 0.000 0.278 8 V C 0.024 176.175 176.094 0.095 0.000 1.018 8 V CA -0.712 61.629 62.300 0.068 0.000 0.814 8 V CB 1.238 33.141 31.823 0.133 0.000 1.021 8 V HN 0.418 nan 8.190 nan 0.000 0.440 9 V N 4.596 124.516 119.914 0.010 0.000 2.385 9 V HA 0.367 4.486 4.120 -0.000 0.000 0.269 9 V C 0.606 176.702 176.094 0.004 0.000 1.043 9 V CA -0.101 62.207 62.300 0.014 0.000 0.906 9 V CB 1.562 33.381 31.823 -0.006 0.000 0.995 9 V HN 0.981 nan 8.190 nan 0.000 0.467 10 S N 6.064 121.784 115.700 0.033 0.000 2.520 10 S HA 0.689 5.158 4.470 -0.000 0.000 0.324 10 S C -0.604 174.028 174.600 0.054 0.000 1.069 10 S CA -0.627 57.594 58.200 0.035 0.000 1.121 10 S CB 0.679 63.909 63.200 0.050 0.000 0.971 10 S HN 0.482 nan 8.310 nan 0.000 0.463 11 I N 3.108 123.729 120.570 0.086 0.000 2.428 11 I HA 0.669 4.839 4.170 -0.000 0.000 0.296 11 I C 1.075 177.281 176.117 0.150 0.000 0.985 11 I CA 0.124 61.513 61.300 0.149 0.000 1.260 11 I CB 1.022 39.160 38.000 0.230 0.000 1.389 11 I HN 1.061 nan 8.210 nan 0.000 0.484 12 G N 4.239 113.107 108.800 0.114 0.000 2.660 12 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 12 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 12 G C -0.073 174.860 174.900 0.054 0.000 1.345 12 G CA 0.358 45.513 45.100 0.093 0.000 0.877 12 G HN 0.671 nan 8.290 nan 0.000 0.549 13 Q N -0.729 119.099 119.800 0.046 0.000 2.063 13 Q HA 0.286 4.625 4.340 -0.000 0.000 0.194 13 Q C 3.061 179.080 176.000 0.031 0.000 0.974 13 Q CA 1.726 57.546 55.803 0.028 0.000 0.827 13 Q CB -0.280 28.469 28.738 0.019 0.000 0.902 13 Q HN 1.395 nan 8.270 nan 0.000 0.462 14 A N 0.945 123.783 122.820 0.031 0.000 1.892 14 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 14 A C 2.272 179.871 177.584 0.024 0.000 1.188 14 A CA 1.983 54.032 52.037 0.020 0.000 0.631 14 A CB -1.652 17.356 19.000 0.012 0.000 0.822 14 A HN 0.645 nan 8.150 nan 0.000 0.447 15 G N -0.125 108.705 108.800 0.050 0.000 2.491 15 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 15 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 15 G C 1.483 176.408 174.900 0.043 0.000 1.180 15 G CA 1.132 46.267 45.100 0.059 0.000 0.774 15 G HN 0.563 nan 8.290 nan 0.000 0.562 16 N N 0.362 119.088 118.700 0.044 0.000 2.244 16 N HA -0.068 4.671 4.740 -0.000 0.000 0.183 16 N C 2.448 177.992 175.510 0.058 0.000 1.016 16 N CA 0.942 54.016 53.050 0.040 0.000 0.866 16 N CB -0.159 38.336 38.487 0.014 0.000 0.980 16 N HN 0.546 nan 8.380 nan 0.000 0.430 17 Q N 0.390 120.219 119.800 0.048 0.000 2.083 17 Q HA 0.035 4.374 4.340 -0.000 0.000 0.198 17 Q C 2.162 178.204 176.000 0.071 0.000 0.969 17 Q CA 0.727 56.566 55.803 0.059 0.000 0.838 17 Q CB 0.069 28.832 28.738 0.040 0.000 0.900 17 Q HN 0.385 nan 8.270 nan 0.000 0.436 18 I N 0.974 121.566 120.570 0.038 0.000 2.179 18 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 18 I C 2.497 178.664 176.117 0.083 0.000 1.088 18 I CA 0.972 62.282 61.300 0.018 0.000 1.357 18 I CB -0.459 37.499 38.000 -0.069 0.000 1.051 18 I HN 0.144 nan 8.210 nan 0.000 0.409 19 A N 0.861 123.735 122.820 0.089 0.000 1.908 19 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 19 A C 2.547 180.379 177.584 0.413 0.000 1.181 19 A CA 2.103 54.251 52.037 0.185 0.000 0.627 19 A CB -0.890 18.220 19.000 0.184 0.000 0.818 19 A HN 0.458 nan 8.150 nan 0.000 0.445 20 A N -0.967 122.051 122.820 0.329 0.000 1.877 20 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 20 A C 2.502 180.313 177.584 0.379 0.000 1.186 20 A CA 2.266 54.547 52.037 0.406 0.000 0.620 20 A CB -1.047 18.107 19.000 0.257 0.000 0.822 20 A HN 0.569 nan 8.150 nan 0.000 0.443 21 S N -1.476 114.377 115.700 0.255 0.000 2.348 21 S HA -0.174 4.295 4.470 -0.000 0.000 0.221 21 S C 1.757 176.480 174.600 0.205 0.000 1.033 21 S CA 1.635 59.950 58.200 0.192 0.000 1.010 21 S CB -0.584 62.694 63.200 0.131 0.000 0.891 21 S HN 0.587 nan 8.310 nan 0.000 0.442 22 F N 0.874 120.842 119.950 0.029 0.000 2.027 22 F HA -0.219 4.307 4.527 -0.000 0.000 0.297 22 F C 1.839 177.613 175.800 -0.043 0.000 1.129 22 F CA 2.333 60.278 58.000 -0.090 0.000 1.195 22 F CB -0.936 37.911 39.000 -0.253 0.000 0.960 22 F HN 0.362 nan 8.300 nan 0.000 0.485 23 W N 0.868 122.381 121.300 0.355 0.000 2.325 23 W HA -0.233 4.426 4.660 -0.001 0.000 0.299 23 W C 2.713 179.287 176.519 0.091 0.000 1.215 23 W CA 1.647 59.122 57.345 0.218 0.000 1.244 23 W CB -0.440 29.270 29.460 0.416 0.000 1.140 23 W HN 0.049 nan 8.180 nan 0.000 0.523 24 K N -0.261 120.328 120.400 0.316 0.000 2.057 24 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 24 K C 1.868 178.532 176.600 0.108 0.000 1.050 24 K CA 1.906 58.307 56.287 0.190 0.000 0.935 24 K CB -0.439 32.153 32.500 0.154 0.000 0.715 24 K HN -0.038 nan 8.250 nan 0.000 0.439 25 T N 1.011 115.586 114.554 0.034 0.000 2.652 25 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 25 T C 1.886 176.558 174.700 -0.046 0.000 1.039 25 T CA 1.732 63.811 62.100 -0.034 0.000 1.153 25 T CB -0.228 68.581 68.868 -0.099 0.000 0.863 25 T HN 0.032 nan 8.240 nan 0.000 0.428 26 V N 0.859 120.679 119.914 -0.157 0.000 2.332 26 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 26 V C 2.857 179.118 176.094 0.278 0.000 1.055 26 V CA 1.339 63.622 62.300 -0.029 0.000 1.038 26 V CB -1.066 30.603 31.823 -0.257 0.000 0.651 26 V HN 0.611 nan 8.190 nan 0.000 0.450 27 C N -0.233 119.261 119.300 0.322 0.000 2.393 27 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 27 C C 2.694 177.743 174.990 0.099 0.000 1.215 27 C CA 1.301 60.465 59.018 0.244 0.000 1.743 27 C CB -1.082 26.790 27.740 0.219 0.000 2.044 27 C HN 0.541 nan 8.230 nan 0.000 0.464 28 L N 0.081 121.351 121.223 0.078 0.000 2.093 28 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 28 L C 2.612 179.499 176.870 0.028 0.000 1.085 28 L CA 1.509 56.370 54.840 0.034 0.000 0.755 28 L CB -0.877 41.193 42.059 0.019 0.000 0.904 28 L HN 0.491 nan 8.230 nan 0.000 0.435 29 E N -0.593 119.634 120.200 0.046 0.000 2.077 29 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 29 E C 1.895 178.518 176.600 0.038 0.000 0.989 29 E CA 1.016 57.432 56.400 0.028 0.000 0.800 29 E CB -0.073 29.669 29.700 0.070 0.000 0.746 29 E HN 0.594 nan 8.360 nan 0.000 0.452 30 H N -0.778 118.359 119.070 0.112 0.000 2.547 30 H HA 0.084 4.640 4.556 -0.000 0.000 0.266 30 H C 0.958 176.248 175.328 -0.062 0.000 0.988 30 H CA 0.843 56.919 56.048 0.047 0.000 1.147 30 H CB 0.634 30.288 29.762 -0.179 0.000 1.365 30 H HN 0.310 nan 8.280 nan 0.000 0.589 31 G N 1.455 110.264 108.800 0.015 0.000 2.248 31 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 31 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 31 G C -0.128 174.721 174.900 -0.085 0.000 1.082 31 G CA 0.006 45.086 45.100 -0.034 0.000 0.863 31 G HN 0.325 nan 8.290 nan 0.000 0.495 32 I N 0.170 120.684 120.570 -0.093 0.000 2.436 32 I HA 0.260 4.429 4.170 -0.000 0.000 0.289 32 I C -0.218 175.874 176.117 -0.042 0.000 1.010 32 I CA -1.075 60.154 61.300 -0.117 0.000 1.098 32 I CB 1.793 39.645 38.000 -0.248 0.000 1.266 32 I HN 0.091 nan 8.210 nan 0.000 0.434 33 D N 9.149 129.533 120.400 -0.026 0.000 2.412 33 D HA 0.045 4.685 4.640 -0.000 0.000 0.257 33 D C -1.513 174.788 176.300 0.002 0.000 1.217 33 D CA -1.764 52.232 54.000 -0.007 0.000 0.897 33 D CB 1.079 41.874 40.800 -0.008 0.000 1.132 33 D HN 0.267 nan 8.370 nan 0.000 0.493 34 P HA -0.029 nan 4.420 nan 0.000 0.251 34 P C 0.580 177.873 177.300 -0.011 0.000 1.251 34 P CA 0.503 63.614 63.100 0.019 0.000 0.763 34 P CB 0.129 31.861 31.700 0.053 0.000 1.067 35 L N -1.220 119.997 121.223 -0.010 0.000 3.174 35 L HA 0.174 4.514 4.340 -0.000 0.000 0.283 35 L C 1.485 178.346 176.870 -0.015 0.000 1.187 35 L CA 0.652 55.486 54.840 -0.009 0.000 1.018 35 L CB 0.257 42.320 42.059 0.007 0.000 1.433 35 L HN 0.022 nan 8.230 nan 0.000 0.593 36 T N -6.043 108.500 114.554 -0.018 0.000 3.046 36 T HA 0.214 4.564 4.350 -0.000 0.000 0.270 36 T C 1.384 176.074 174.700 -0.016 0.000 0.920 36 T CA 0.645 62.735 62.100 -0.016 0.000 0.874 36 T CB 1.040 69.901 68.868 -0.011 0.000 1.214 36 T HN 0.182 nan 8.240 nan 0.000 0.536 37 G N 1.949 110.745 108.800 -0.007 0.000 2.168 37 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 37 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 37 G C -0.145 174.789 174.900 0.057 0.000 0.977 37 G CA 0.531 45.649 45.100 0.030 0.000 0.659 37 G HN 0.771 nan 8.290 nan 0.000 0.533 38 Q N -0.287 119.526 119.800 0.022 0.000 2.214 38 Q HA 0.684 5.024 4.340 -0.000 0.000 0.251 38 Q C 0.034 176.041 176.000 0.011 0.000 0.936 38 Q CA -0.009 55.810 55.803 0.027 0.000 0.894 38 Q CB 2.040 30.775 28.738 -0.005 0.000 1.252 38 Q HN 0.232 nan 8.270 nan 0.000 0.448 39 T N -0.856 113.707 114.554 0.015 0.000 2.773 39 T HA 0.623 4.973 4.350 -0.000 0.000 0.278 39 T C -1.039 173.647 174.700 -0.022 0.000 1.011 39 T CA -0.366 61.712 62.100 -0.036 0.000 1.014 39 T CB 1.193 69.995 68.868 -0.110 0.000 1.293 39 T HN 0.679 nan 8.240 nan 0.000 0.554 40 A N 2.688 125.489 122.820 -0.032 0.000 2.567 40 A HA 0.426 4.745 4.320 -0.000 0.000 0.240 40 A C -2.354 175.221 177.584 -0.015 0.000 1.053 40 A CA -0.513 51.511 52.037 -0.021 0.000 0.755 40 A CB -0.908 18.079 19.000 -0.022 0.000 0.978 40 A HN 0.623 nan 8.150 nan 0.000 0.507 41 P HA 0.281 nan 4.420 nan 0.000 0.264 41 P C 1.146 178.442 177.300 -0.007 0.000 1.193 41 P CA 1.665 64.759 63.100 -0.010 0.000 0.763 41 P CB 0.738 32.432 31.700 -0.011 0.000 0.810 42 G N 1.090 109.886 108.800 -0.005 0.000 2.241 42 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 42 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 42 G C 0.056 174.959 174.900 0.005 0.000 0.998 42 G CA 0.137 45.237 45.100 0.000 0.000 0.621 42 G HN 0.686 nan 8.290 nan 0.000 0.519 43 V N 0.475 120.388 119.914 -0.001 0.000 3.103 43 V HA 0.928 5.047 4.120 -0.000 0.000 0.318 43 V C 0.250 176.331 176.094 -0.022 0.000 1.114 43 V CA 0.229 62.529 62.300 -0.000 0.000 1.020 43 V CB 1.911 33.732 31.823 -0.003 0.000 1.085 43 V HN 1.567 nan 8.190 nan 0.000 0.446 44 A N 4.768 127.572 122.820 -0.027 0.000 2.306 44 A HA 0.905 5.224 4.320 -0.000 0.000 0.330 44 A C -2.577 174.894 177.584 -0.188 0.000 1.146 44 A CA -1.768 50.188 52.037 -0.134 0.000 0.827 44 A CB 0.843 19.840 19.000 -0.006 0.000 1.178 44 A HN 0.738 nan 8.150 nan 0.000 0.490 45 P HA 0.063 nan 4.420 nan 0.000 0.268 45 P C -0.446 176.890 177.300 0.059 0.000 1.208 45 P CA 0.062 62.988 63.100 -0.289 0.000 0.777 45 P CB 0.405 31.725 31.700 -0.633 0.000 0.875 46 R N 0.756 121.335 120.500 0.132 0.000 2.811 46 R HA 0.324 4.664 4.340 -0.000 0.000 0.265 46 R C 1.269 177.843 176.300 0.458 0.000 1.026 46 R CA 0.899 57.149 56.100 0.251 0.000 1.142 46 R CB -0.665 29.757 30.300 0.204 0.000 1.027 46 R HN 0.868 nan 8.270 nan 0.000 0.465 47 G N 1.504 110.573 108.800 0.448 0.000 2.641 47 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 47 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 47 G C -0.595 174.431 174.900 0.209 0.000 1.315 47 G CA -0.220 45.132 45.100 0.419 0.000 0.907 47 G HN 0.726 nan 8.290 nan 0.000 0.572 48 N N 2.175 120.897 118.700 0.037 0.000 3.188 48 N HA 0.114 4.854 4.740 -0.000 0.000 0.279 48 N C 1.565 176.922 175.510 -0.255 0.000 1.213 48 N CA 0.395 53.348 53.050 -0.161 0.000 1.138 48 N CB -0.264 38.151 38.487 -0.120 0.000 1.417 48 N HN 0.762 nan 8.380 nan 0.000 0.526 49 W N 1.275 122.519 121.300 -0.094 0.000 2.350 49 W HA -0.201 4.459 4.660 -0.000 0.000 0.289 49 W C 1.025 177.578 176.519 0.056 0.000 1.215 49 W CA 0.810 58.017 57.345 -0.229 0.000 1.236 49 W CB -1.400 27.818 29.460 -0.404 0.000 1.130 49 W HN 0.217 nan 8.180 nan 0.000 0.541 50 S N 0.794 115.827 115.700 -1.111 0.000 2.420 50 S HA -0.298 4.172 4.470 -0.000 0.000 0.237 50 S C 2.013 176.500 174.600 -0.189 0.000 1.023 50 S CA 1.714 59.411 58.200 -0.838 0.000 0.991 50 S CB -0.971 61.603 63.200 -1.043 0.000 0.792 50 S HN 0.379 nan 8.310 nan 0.000 0.488 51 S N 0.975 116.618 115.700 -0.095 0.000 2.363 51 S HA -0.033 4.436 4.470 -0.000 0.000 0.218 51 S C 1.193 175.913 174.600 0.200 0.000 1.035 51 S CA 1.363 59.617 58.200 0.090 0.000 1.043 51 S CB -0.461 62.867 63.200 0.214 0.000 0.986 51 S HN 0.559 nan 8.310 nan 0.000 0.423 52 F N -0.302 119.710 119.950 0.104 0.000 2.731 52 F HA 0.475 5.002 4.527 -0.000 0.000 0.298 52 F C 0.035 175.859 175.800 0.039 0.000 1.106 52 F CA -0.553 57.525 58.000 0.131 0.000 1.329 52 F CB 0.169 39.240 39.000 0.120 0.000 1.100 52 F HN 0.084 nan 8.300 nan 0.000 0.592 53 F N -1.234 118.928 119.950 0.354 0.000 2.556 53 F HA 0.546 5.073 4.527 -0.000 0.000 0.327 53 F C 0.436 176.461 175.800 0.375 0.000 1.059 53 F CA -1.236 56.971 58.000 0.346 0.000 0.953 53 F CB 1.444 40.673 39.000 0.381 0.000 1.227 53 F HN -0.492 nan 8.300 nan 0.000 0.478 54 S N 1.161 117.151 115.700 0.482 0.000 2.503 54 S HA 0.435 4.904 4.470 -0.000 0.000 0.301 54 S C -0.916 173.883 174.600 0.332 0.000 1.087 54 S CA -0.742 57.667 58.200 0.348 0.000 1.042 54 S CB 0.954 64.225 63.200 0.118 0.000 1.043 54 S HN 0.407 nan 8.310 nan 0.000 0.489 55 K N 3.667 124.240 120.400 0.287 0.000 2.276 55 K HA 0.359 4.679 4.320 -0.000 0.000 0.285 55 K C -1.145 175.392 176.600 -0.105 0.000 1.062 55 K CA -0.277 55.988 56.287 -0.038 0.000 0.918 55 K CB 0.587 33.134 32.500 0.078 0.000 1.055 55 K HN 0.664 nan 8.250 nan 0.000 0.477 56 L N 3.486 124.566 121.223 -0.239 0.000 2.325 56 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 56 L C 0.253 177.016 176.870 -0.178 0.000 1.004 56 L CA 0.277 55.029 54.840 -0.146 0.000 0.823 56 L CB 1.124 43.118 42.059 -0.109 0.000 1.236 56 L HN 0.918 nan 8.230 nan 0.000 0.415 57 G N 4.032 112.768 108.800 -0.107 0.000 2.582 57 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.222 57 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.222 57 G C -0.176 174.670 174.900 -0.090 0.000 1.311 57 G CA 0.218 45.260 45.100 -0.096 0.000 0.915 57 G HN 0.709 nan 8.290 nan 0.000 0.528 58 E N -1.467 118.688 120.200 -0.074 0.000 2.617 58 E HA 0.252 4.601 4.350 -0.000 0.000 0.208 58 E C 2.011 178.583 176.600 -0.047 0.000 0.888 58 E CA 1.457 57.826 56.400 -0.051 0.000 1.485 58 E CB 0.223 29.909 29.700 -0.023 0.000 1.482 58 E HN 0.891 nan 8.360 nan 0.000 0.813 59 S N -0.904 114.765 115.700 -0.052 0.000 2.371 59 S HA 0.149 4.619 4.470 -0.000 0.000 0.159 59 S C 1.586 176.155 174.600 -0.051 0.000 1.281 59 S CA 0.573 58.749 58.200 -0.040 0.000 2.161 59 S CB -0.277 62.903 63.200 -0.033 0.000 0.406 59 S HN 0.015 nan 8.310 nan 0.000 0.374 60 S N -0.961 114.709 115.700 -0.048 0.000 2.628 60 S HA 0.284 4.754 4.470 -0.000 0.000 0.246 60 S C 1.416 175.981 174.600 -0.059 0.000 1.062 60 S CA 0.071 58.243 58.200 -0.047 0.000 1.028 60 S CB -0.325 62.860 63.200 -0.025 0.000 0.985 60 S HN 0.491 nan 8.310 nan 0.000 0.551 61 S N 1.680 117.345 115.700 -0.060 0.000 2.555 61 S HA 0.193 4.663 4.470 -0.000 0.000 0.230 61 S C 1.114 175.658 174.600 -0.094 0.000 0.978 61 S CA 0.378 58.542 58.200 -0.060 0.000 0.934 61 S CB -0.314 62.858 63.200 -0.046 0.000 0.766 61 S HN 0.650 nan 8.310 nan 0.000 0.533 62 G N 1.372 110.091 108.800 -0.135 0.000 2.491 62 G HA2 0.365 4.324 3.960 -0.000 0.000 0.238 62 G HA3 0.365 4.324 3.960 -0.000 0.000 0.238 62 G C -0.200 174.517 174.900 -0.305 0.000 1.277 62 G CA -0.184 44.779 45.100 -0.229 0.000 0.851 62 G HN 0.286 nan 8.290 nan 0.000 0.573 63 S N 0.177 115.671 115.700 -0.344 0.000 2.648 63 S HA 0.735 5.205 4.470 -0.000 0.000 0.305 63 S C -1.291 172.993 174.600 -0.527 0.000 1.094 63 S CA -0.751 57.272 58.200 -0.296 0.000 0.983 63 S CB 0.970 64.093 63.200 -0.130 0.000 1.101 63 S HN 0.422 nan 8.310 nan 0.000 0.514 64 Y N 0.926 121.172 120.300 -0.091 0.000 2.364 64 Y HA 0.556 5.106 4.550 -0.001 0.000 0.340 64 Y C -0.079 175.889 175.900 0.115 0.000 0.975 64 Y CA -0.832 57.255 58.100 -0.021 0.000 1.089 64 Y CB 1.965 40.339 38.460 -0.145 0.000 1.192 64 Y HN 0.527 nan 8.280 nan 0.000 0.454 65 V N 1.501 121.573 119.914 0.263 0.000 2.531 65 V HA 0.673 4.793 4.120 -0.000 0.000 0.301 65 V C -2.974 173.116 176.094 -0.007 0.000 1.034 65 V CA -3.281 59.085 62.300 0.110 0.000 0.865 65 V CB 1.667 33.500 31.823 0.017 0.000 0.995 65 V HN 0.478 nan 8.190 nan 0.000 0.424 66 P HA 0.082 nan 4.420 nan 0.000 0.266 66 P C -0.363 176.654 177.300 -0.472 0.000 1.180 66 P CA 0.358 62.887 63.100 -0.952 0.000 0.765 66 P CB 0.250 30.877 31.700 -1.788 0.000 0.806 67 R N 1.641 121.967 120.500 -0.289 0.000 4.231 67 R HA 0.545 4.885 4.340 -0.000 0.000 0.250 67 R C -0.182 176.115 176.300 -0.006 0.000 1.600 67 R CA -0.245 55.796 56.100 -0.098 0.000 1.523 67 R CB 0.081 30.345 30.300 -0.060 0.000 1.422 67 R HN 0.423 nan 8.270 nan 0.000 0.759 68 A N 1.492 124.253 122.820 -0.098 0.000 2.435 68 A HA 0.706 5.025 4.320 -0.000 0.000 0.304 68 A C -0.688 176.874 177.584 -0.037 0.000 1.064 68 A CA -0.713 51.345 52.037 0.036 0.000 0.727 68 A CB 1.312 20.350 19.000 0.062 0.000 1.284 68 A HN 0.385 nan 8.150 nan 0.000 0.415 69 I N 1.885 122.454 120.570 -0.003 0.000 2.466 69 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 69 I C -0.593 175.497 176.117 -0.044 0.000 1.026 69 I CA -0.171 61.110 61.300 -0.031 0.000 1.078 69 I CB 2.034 40.039 38.000 0.009 0.000 1.249 69 I HN 0.603 nan 8.210 nan 0.000 0.429 70 M N 6.436 125.973 119.600 -0.105 0.000 2.227 70 M HA 0.569 5.049 4.480 -0.000 0.000 0.335 70 M C -1.054 175.206 176.300 -0.068 0.000 1.053 70 M CA -0.784 54.457 55.300 -0.098 0.000 0.973 70 M CB 2.141 34.623 32.600 -0.196 0.000 1.623 70 M HN 0.210 nan 8.290 nan 0.000 0.434 71 V N 1.798 121.693 119.914 -0.032 0.000 2.680 71 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 71 V C -1.005 175.045 176.094 -0.075 0.000 1.052 71 V CA -0.491 61.767 62.300 -0.070 0.000 0.908 71 V CB 2.279 34.072 31.823 -0.050 0.000 1.001 71 V HN 0.826 nan 8.190 nan 0.000 0.431 72 D N 2.010 122.334 120.400 -0.126 0.000 2.787 72 D HA 0.284 4.924 4.640 -0.000 0.000 0.215 72 D C 0.039 176.268 176.300 -0.118 0.000 1.246 72 D CA -0.554 53.391 54.000 -0.092 0.000 0.798 72 D CB 1.748 42.520 40.800 -0.047 0.000 1.649 72 D HN 0.331 nan 8.370 nan 0.000 0.507 73 L N 1.655 122.814 121.223 -0.106 0.000 2.610 73 L HA 0.187 4.526 4.340 -0.000 0.000 0.232 73 L C 0.887 177.717 176.870 -0.067 0.000 1.149 73 L CA 0.557 55.337 54.840 -0.101 0.000 0.872 73 L CB -0.106 41.901 42.059 -0.087 0.000 0.992 73 L HN 0.375 nan 8.230 nan 0.000 0.447 74 E N 0.959 121.127 120.200 -0.053 0.000 2.292 74 E HA 0.206 4.556 4.350 -0.000 0.000 0.272 74 E C -2.098 174.480 176.600 -0.036 0.000 0.881 74 E CA -1.779 54.597 56.400 -0.040 0.000 0.754 74 E CB 2.721 32.403 29.700 -0.030 0.000 1.201 74 E HN -0.232 nan 8.360 nan 0.000 0.425 75 P HA -0.082 nan 4.420 nan 0.000 0.221 75 P C 1.112 178.402 177.300 -0.018 0.000 1.150 75 P CA 0.679 63.763 63.100 -0.027 0.000 0.800 75 P CB 0.353 32.038 31.700 -0.025 0.000 0.787 76 S N 0.244 115.936 115.700 -0.014 0.000 2.408 76 S HA -0.165 4.304 4.470 -0.000 0.000 0.241 76 S C 2.024 176.623 174.600 -0.001 0.000 1.080 76 S CA 2.137 60.333 58.200 -0.007 0.000 1.109 76 S CB -1.221 61.975 63.200 -0.007 0.000 0.966 76 S HN 0.069 nan 8.310 nan 0.000 0.449 77 V N 0.534 120.446 119.914 -0.003 0.000 2.341 77 V HA 0.022 4.142 4.120 -0.000 0.000 0.240 77 V C 2.079 178.171 176.094 -0.003 0.000 1.035 77 V CA 0.978 63.280 62.300 0.003 0.000 1.033 77 V CB -0.671 31.155 31.823 0.005 0.000 0.678 77 V HN 0.284 nan 8.190 nan 0.000 0.464 78 I N 1.097 121.655 120.570 -0.020 0.000 2.151 78 I HA -0.270 3.899 4.170 -0.000 0.000 0.243 78 I C 2.141 178.248 176.117 -0.016 0.000 1.080 78 I CA 1.790 63.069 61.300 -0.036 0.000 1.339 78 I CB -0.675 37.292 38.000 -0.055 0.000 1.039 78 I HN 0.286 nan 8.210 nan 0.000 0.409 79 D N 0.125 120.518 120.400 -0.011 0.000 2.149 79 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 79 D C 2.066 178.375 176.300 0.014 0.000 1.001 79 D CA 1.242 55.242 54.000 -0.000 0.000 0.849 79 D CB -0.424 40.375 40.800 -0.003 0.000 0.939 79 D HN 0.351 nan 8.370 nan 0.000 0.449 80 N N 0.377 119.088 118.700 0.018 0.000 2.171 80 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 80 N C 1.831 177.372 175.510 0.052 0.000 1.021 80 N CA 0.690 53.760 53.050 0.032 0.000 0.854 80 N CB -0.061 38.445 38.487 0.031 0.000 0.994 80 N HN 0.043 nan 8.380 nan 0.000 0.426 81 V N 1.878 121.823 119.914 0.052 0.000 2.287 81 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 81 V C 2.460 178.626 176.094 0.119 0.000 1.053 81 V CA 1.672 64.028 62.300 0.093 0.000 1.027 81 V CB -0.474 31.375 31.823 0.042 0.000 0.646 81 V HN 0.345 nan 8.190 nan 0.000 0.447 82 K N -0.159 120.288 120.400 0.077 0.000 2.103 82 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 82 K C 2.270 178.916 176.600 0.076 0.000 1.048 82 K CA 1.526 57.863 56.287 0.083 0.000 0.930 82 K CB -0.398 32.129 32.500 0.045 0.000 0.716 82 K HN 0.514 nan 8.250 nan 0.000 0.444 83 A N 0.966 123.822 122.820 0.060 0.000 1.873 83 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 83 A C 2.185 179.805 177.584 0.059 0.000 1.186 83 A CA 2.154 54.221 52.037 0.050 0.000 0.616 83 A CB -0.863 18.160 19.000 0.039 0.000 0.823 83 A HN 0.468 nan 8.150 nan 0.000 0.442 84 T N -2.540 112.059 114.554 0.075 0.000 3.100 84 T HA 0.065 4.415 4.350 -0.000 0.000 0.253 84 T C 1.426 176.185 174.700 0.100 0.000 1.118 84 T CA 1.192 63.340 62.100 0.081 0.000 1.058 84 T CB -0.146 68.774 68.868 0.087 0.000 0.953 84 T HN 0.604 nan 8.240 nan 0.000 0.515 85 S N 0.146 115.922 115.700 0.126 0.000 2.539 85 S HA 0.536 5.006 4.470 -0.000 0.000 0.221 85 S C 1.429 176.066 174.600 0.061 0.000 0.987 85 S CA 0.229 58.505 58.200 0.127 0.000 0.929 85 S CB -0.641 62.725 63.200 0.277 0.000 0.832 85 S HN 1.042 nan 8.310 nan 0.000 0.492 86 G N 2.261 111.095 108.800 0.056 0.000 2.578 86 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.275 86 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.275 86 G C 0.582 175.501 174.900 0.030 0.000 1.271 86 G CA 0.376 45.495 45.100 0.032 0.000 0.941 86 G HN 1.476 nan 8.290 nan 0.000 0.564 87 S N 0.085 115.790 115.700 0.009 0.000 2.754 87 S HA 0.265 4.735 4.470 -0.000 0.000 0.223 87 S C 2.019 176.605 174.600 -0.023 0.000 0.951 87 S CA 0.803 59.008 58.200 0.007 0.000 0.954 87 S CB 0.278 63.478 63.200 0.000 0.000 0.780 87 S HN 0.889 nan 8.310 nan 0.000 0.509 88 L N 0.706 121.883 121.223 -0.076 0.000 1.944 88 L HA 0.025 4.365 4.340 -0.000 0.000 0.218 88 L C 0.549 177.253 176.870 -0.276 0.000 1.075 88 L CA 1.895 56.597 54.840 -0.229 0.000 0.767 88 L CB -1.005 40.795 42.059 -0.432 0.000 0.890 88 L HN 0.357 nan 8.230 nan 0.000 0.434 89 F N 0.377 120.291 119.950 -0.060 0.000 2.399 89 F HA 0.149 4.676 4.527 -0.000 0.000 0.313 89 F C 1.141 176.903 175.800 -0.064 0.000 1.202 89 F CA -0.467 57.464 58.000 -0.114 0.000 1.192 89 F CB -0.217 38.706 39.000 -0.129 0.000 1.256 89 F HN 0.150 nan 8.300 nan 0.000 0.558 90 N N 3.454 122.256 118.700 0.169 0.000 2.401 90 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 90 N C -1.685 173.878 175.510 0.088 0.000 1.110 90 N CA -2.017 51.095 53.050 0.104 0.000 0.949 90 N CB 1.010 39.562 38.487 0.109 0.000 1.110 90 N HN 0.162 nan 8.380 nan 0.000 0.490 91 P HA -0.195 nan 4.420 nan 0.000 0.216 91 P C 0.626 177.934 177.300 0.014 0.000 1.154 91 P CA 1.345 64.468 63.100 0.038 0.000 0.865 91 P CB 0.087 31.804 31.700 0.028 0.000 0.789 92 A N -1.159 121.670 122.820 0.015 0.000 2.255 92 A HA -0.027 4.293 4.320 -0.000 0.000 0.206 92 A C 1.406 178.996 177.584 0.010 0.000 1.193 92 A CA 0.700 52.734 52.037 -0.004 0.000 0.794 92 A CB -1.144 17.839 19.000 -0.029 0.000 0.794 92 A HN 0.148 nan 8.150 nan 0.000 0.481 93 N N -0.780 117.930 118.700 0.016 0.000 2.200 93 N HA 0.264 5.004 4.740 -0.000 0.000 0.224 93 N C -0.394 175.083 175.510 -0.055 0.000 1.179 93 N CA 0.124 53.177 53.050 0.005 0.000 0.877 93 N CB 0.518 39.020 38.487 0.025 0.000 1.072 93 N HN 0.351 nan 8.380 nan 0.000 0.519 94 L N 1.250 122.436 121.223 -0.061 0.000 2.709 94 L HA 0.441 4.781 4.340 -0.000 0.000 0.236 94 L C -0.724 176.102 176.870 -0.073 0.000 1.266 94 L CA -0.721 54.062 54.840 -0.096 0.000 0.987 94 L CB 0.150 42.149 42.059 -0.100 0.000 1.306 94 L HN -0.102 nan 8.230 nan 0.000 0.467 95 I N 1.389 121.917 120.570 -0.071 0.000 2.598 95 I HA 0.061 4.230 4.170 -0.000 0.000 0.284 95 I C 0.876 176.936 176.117 -0.095 0.000 1.140 95 I CA 0.847 62.100 61.300 -0.078 0.000 1.420 95 I CB 0.881 38.829 38.000 -0.087 0.000 1.387 95 I HN 0.482 nan 8.210 nan 0.000 0.553 96 S N 6.756 122.403 115.700 -0.088 0.000 2.618 96 S HA 0.862 5.331 4.470 -0.000 0.000 0.277 96 S C -0.478 174.071 174.600 -0.087 0.000 1.138 96 S CA -1.099 57.049 58.200 -0.087 0.000 0.844 96 S CB 2.807 65.968 63.200 -0.064 0.000 1.127 96 S HN 0.440 nan 8.310 nan 0.000 0.474 97 R N -0.443 120.007 120.500 -0.084 0.000 2.947 97 R HA 0.669 5.009 4.340 -0.000 0.000 0.253 97 R C 0.267 176.533 176.300 -0.057 0.000 1.208 97 R CA -0.402 55.653 56.100 -0.075 0.000 1.012 97 R CB 0.777 31.020 30.300 -0.095 0.000 1.267 97 R HN 0.877 nan 8.270 nan 0.000 0.473 98 T N -0.781 113.744 114.554 -0.050 0.000 3.071 98 T HA 0.106 4.455 4.350 -0.000 0.000 0.239 98 T C 1.206 175.884 174.700 -0.038 0.000 0.997 98 T CA 0.130 62.206 62.100 -0.039 0.000 1.134 98 T CB 0.175 69.023 68.868 -0.032 0.000 0.928 98 T HN 0.444 nan 8.240 nan 0.000 0.453 99 E N 1.488 121.664 120.200 -0.039 0.000 2.265 99 E HA 0.225 4.575 4.350 -0.000 0.000 0.196 99 E C 1.367 177.942 176.600 -0.041 0.000 0.996 99 E CA 0.520 56.898 56.400 -0.037 0.000 0.832 99 E CB -0.275 29.405 29.700 -0.034 0.000 0.756 99 E HN 0.598 nan 8.360 nan 0.000 0.491 100 G N 0.303 109.077 108.800 -0.043 0.000 2.725 100 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.220 100 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.220 100 G C 0.262 175.139 174.900 -0.039 0.000 1.357 100 G CA -0.192 44.883 45.100 -0.041 0.000 0.866 100 G HN 0.376 nan 8.290 nan 0.000 0.548 101 A N -0.798 122.004 122.820 -0.031 0.000 2.508 101 A HA 0.702 5.021 4.320 -0.000 0.000 0.250 101 A C 2.153 179.708 177.584 -0.049 0.000 1.208 101 A CA 1.569 53.592 52.037 -0.024 0.000 0.960 101 A CB -0.191 18.816 19.000 0.012 0.000 1.099 101 A HN 2.938 nan 8.150 nan 0.000 0.542 102 G N 0.084 108.843 108.800 -0.069 0.000 2.395 102 G HA2 0.122 4.081 3.960 -0.000 0.000 0.300 102 G HA3 0.122 4.081 3.960 -0.000 0.000 0.300 102 G C 1.379 176.213 174.900 -0.110 0.000 0.998 102 G CA 0.697 45.728 45.100 -0.114 0.000 1.046 102 G HN 2.034 nan 8.290 nan 0.000 0.513 103 G N -0.857 107.915 108.800 -0.046 0.000 2.379 103 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.297 103 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.297 103 G C 0.199 175.119 174.900 0.034 0.000 1.004 103 G CA 0.618 45.719 45.100 0.001 0.000 0.921 103 G HN 1.108 nan 8.290 nan 0.000 0.511 104 N N -0.510 118.199 118.700 0.015 0.000 2.564 104 N HA 0.364 5.103 4.740 -0.000 0.000 0.248 104 N C 0.975 176.599 175.510 0.190 0.000 0.986 104 N CA -0.658 52.381 53.050 -0.018 0.000 0.921 104 N CB 0.616 39.000 38.487 -0.171 0.000 1.136 104 N HN 0.066 nan 8.380 nan 0.000 0.509 105 F N 4.434 124.579 119.950 0.324 0.000 2.091 105 F HA -0.249 4.278 4.527 -0.001 0.000 0.299 105 F C 1.999 178.004 175.800 0.343 0.000 1.103 105 F CA 2.245 60.482 58.000 0.394 0.000 1.228 105 F CB -0.147 39.227 39.000 0.623 0.000 0.984 105 F HN 0.559 nan 8.300 nan 0.000 0.477 106 A N 0.203 123.223 122.820 0.334 0.000 1.892 106 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 106 A C 2.350 179.940 177.584 0.011 0.000 1.188 106 A CA 2.529 54.656 52.037 0.149 0.000 0.631 106 A CB -1.538 17.613 19.000 0.251 0.000 0.822 106 A HN 0.333 nan 8.150 nan 0.000 0.447 107 V N -0.253 119.668 119.914 0.011 0.000 2.287 107 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 107 V C 2.796 178.887 176.094 -0.005 0.000 1.053 107 V CA 2.187 64.485 62.300 -0.004 0.000 1.027 107 V CB -1.473 30.343 31.823 -0.013 0.000 0.646 107 V HN 0.643 nan 8.190 nan 0.000 0.447 108 G N -2.054 106.752 108.800 0.009 0.000 2.403 108 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.216 108 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.216 108 G C 1.549 176.485 174.900 0.061 0.000 1.154 108 G CA 0.908 46.048 45.100 0.066 0.000 0.784 108 G HN 0.521 nan 8.290 nan 0.000 0.538 109 Y N 1.196 121.305 120.300 -0.317 0.000 2.184 109 Y HA 0.159 4.709 4.550 -0.001 0.000 0.290 109 Y C 0.668 176.458 175.900 -0.184 0.000 1.129 109 Y CA 0.416 58.279 58.100 -0.393 0.000 1.144 109 Y CB 0.087 37.969 38.460 -0.963 0.000 0.995 109 Y HN 0.110 nan 8.280 nan 0.000 0.513 110 L N -0.582 120.485 121.223 -0.260 0.000 2.480 110 L HA 0.826 5.166 4.340 -0.000 0.000 0.253 110 L C -0.069 176.737 176.870 -0.106 0.000 1.324 110 L CA -0.054 54.629 54.840 -0.262 0.000 0.916 110 L CB 1.069 42.967 42.059 -0.268 0.000 1.160 110 L HN 0.218 nan 8.230 nan 0.000 0.503 111 G N 0.673 109.429 108.800 -0.073 0.000 2.401 111 G HA2 0.341 4.301 3.960 -0.000 0.000 0.068 111 G HA3 0.341 4.301 3.960 -0.000 0.000 0.068 111 G C 0.554 175.440 174.900 -0.024 0.000 0.911 111 G CA 0.499 45.577 45.100 -0.036 0.000 1.242 111 G HN 0.445 nan 8.290 nan 0.000 0.504 112 A N 0.354 123.163 122.820 -0.018 0.000 1.978 112 A HA 0.245 4.565 4.320 -0.000 0.000 0.220 112 A C 2.509 180.076 177.584 -0.029 0.000 1.170 112 A CA 2.924 54.946 52.037 -0.025 0.000 0.636 112 A CB -1.033 17.950 19.000 -0.029 0.000 0.810 112 A HN 1.665 nan 8.150 nan 0.000 0.448 113 G N -1.373 107.432 108.800 0.009 0.000 2.572 113 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 113 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 113 G C 1.544 176.525 174.900 0.135 0.000 1.133 113 G CA 0.726 45.869 45.100 0.070 0.000 0.791 113 G HN 0.484 nan 8.290 nan 0.000 0.538 114 R N 0.379 120.909 120.500 0.051 0.000 2.237 114 R HA 0.044 4.383 4.340 -0.000 0.000 0.219 114 R C 2.207 178.524 176.300 0.028 0.000 1.080 114 R CA 0.931 57.049 56.100 0.029 0.000 0.995 114 R CB -0.074 30.204 30.300 -0.037 0.000 0.875 114 R HN 0.351 nan 8.270 nan 0.000 0.462 115 E N -0.161 120.041 120.200 0.003 0.000 2.140 115 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 115 E C 1.623 178.207 176.600 -0.026 0.000 0.973 115 E CA 1.368 57.758 56.400 -0.016 0.000 0.829 115 E CB 0.265 29.945 29.700 -0.034 0.000 0.781 115 E HN 0.256 nan 8.360 nan 0.000 0.466 116 V N -0.103 119.766 119.914 -0.074 0.000 2.871 116 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 116 V C 2.531 178.618 176.094 -0.011 0.000 1.082 116 V CA 0.822 63.040 62.300 -0.137 0.000 1.105 116 V CB -0.772 30.819 31.823 -0.387 0.000 0.713 116 V HN 0.102 nan 8.190 nan 0.000 0.473 117 L N 1.670 123.003 121.223 0.185 0.000 1.991 117 L HA -0.105 4.235 4.340 -0.000 0.000 0.221 117 L C 0.218 177.189 176.870 0.168 0.000 1.079 117 L CA 2.895 57.939 54.840 0.340 0.000 0.778 117 L CB -1.988 40.224 42.059 0.254 0.000 0.893 117 L HN 0.265 nan 8.230 nan 0.000 0.437 118 P HA -0.247 nan 4.420 nan 0.000 0.214 118 P C 1.573 178.901 177.300 0.047 0.000 1.169 118 P CA 2.093 65.224 63.100 0.052 0.000 0.908 118 P CB -0.050 31.665 31.700 0.024 0.000 0.791 119 E N -0.531 119.685 120.200 0.027 0.000 2.031 119 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 119 E C 1.886 178.510 176.600 0.040 0.000 0.994 119 E CA 1.370 57.778 56.400 0.013 0.000 0.800 119 E CB -0.494 29.194 29.700 -0.019 0.000 0.752 119 E HN -0.116 nan 8.360 nan 0.000 0.447 120 V N 1.256 121.209 119.914 0.065 0.000 2.282 120 V HA -0.336 3.783 4.120 -0.000 0.000 0.249 120 V C 2.545 178.714 176.094 0.125 0.000 1.057 120 V CA 1.860 64.229 62.300 0.115 0.000 1.032 120 V CB -0.483 31.495 31.823 0.258 0.000 0.645 120 V HN 0.431 nan 8.190 nan 0.000 0.447 121 M N -0.357 119.322 119.600 0.133 0.000 2.086 121 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 121 M C 2.547 178.918 176.300 0.118 0.000 1.067 121 M CA 2.097 57.474 55.300 0.128 0.000 1.116 121 M CB -1.635 31.034 32.600 0.115 0.000 1.348 121 M HN 0.489 nan 8.290 nan 0.000 0.407 122 S N 0.257 116.010 115.700 0.087 0.000 2.372 122 S HA -0.197 4.272 4.470 -0.000 0.000 0.227 122 S C 2.077 176.737 174.600 0.100 0.000 1.044 122 S CA 1.355 59.599 58.200 0.073 0.000 1.050 122 S CB -0.022 63.197 63.200 0.032 0.000 0.901 122 S HN 0.319 nan 8.310 nan 0.000 0.447 123 R N 0.921 121.477 120.500 0.094 0.000 2.083 123 R HA 0.042 4.382 4.340 -0.000 0.000 0.237 123 R C 2.397 178.786 176.300 0.148 0.000 1.137 123 R CA 1.171 57.351 56.100 0.133 0.000 0.951 123 R CB -1.595 28.760 30.300 0.092 0.000 0.851 123 R HN 0.466 nan 8.270 nan 0.000 0.434 124 L N 1.039 122.321 121.223 0.099 0.000 1.970 124 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 124 L C 1.943 178.842 176.870 0.049 0.000 1.071 124 L CA 1.653 56.515 54.840 0.037 0.000 0.751 124 L CB -0.644 41.428 42.059 0.022 0.000 0.889 124 L HN 0.145 nan 8.230 nan 0.000 0.432 125 D N -0.934 119.557 120.400 0.151 0.000 2.170 125 D HA -0.293 4.347 4.640 -0.000 0.000 0.193 125 D C 1.796 178.202 176.300 0.177 0.000 1.004 125 D CA 1.701 55.827 54.000 0.211 0.000 0.860 125 D CB -0.412 40.514 40.800 0.211 0.000 0.931 125 D HN 0.346 nan 8.370 nan 0.000 0.448 126 Y N 1.918 122.236 120.300 0.031 0.000 2.070 126 Y HA -0.170 4.380 4.550 -0.001 0.000 0.279 126 Y C 2.154 178.051 175.900 -0.004 0.000 1.134 126 Y CA 1.517 59.626 58.100 0.015 0.000 1.113 126 Y CB -0.326 38.140 38.460 0.010 0.000 0.981 126 Y HN -0.158 nan 8.280 nan 0.000 0.487 127 E N 0.253 120.380 120.200 -0.121 0.000 2.160 127 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 127 E C 2.375 178.860 176.600 -0.191 0.000 0.991 127 E CA 1.276 57.526 56.400 -0.251 0.000 0.810 127 E CB -0.258 29.359 29.700 -0.139 0.000 0.742 127 E HN 0.545 nan 8.360 nan 0.000 0.466 128 I N 1.072 121.555 120.570 -0.144 0.000 2.315 128 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 128 I C 2.081 178.140 176.117 -0.096 0.000 1.117 128 I CA 1.164 62.363 61.300 -0.169 0.000 1.404 128 I CB -0.610 37.228 38.000 -0.270 0.000 1.071 128 I HN 0.019 nan 8.210 nan 0.000 0.419 129 D N 1.681 122.052 120.400 -0.048 0.000 2.123 129 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 129 D C 1.857 178.124 176.300 -0.054 0.000 0.976 129 D CA 1.033 55.025 54.000 -0.013 0.000 0.831 129 D CB 0.035 40.864 40.800 0.048 0.000 0.974 129 D HN 0.382 nan 8.370 nan 0.000 0.469 130 K N -0.521 119.801 120.400 -0.131 0.000 2.632 130 K HA 0.061 4.380 4.320 -0.000 0.000 0.196 130 K C -0.242 176.302 176.600 -0.092 0.000 1.023 130 K CA 0.014 56.224 56.287 -0.128 0.000 1.098 130 K CB -0.558 31.800 32.500 -0.237 0.000 0.862 130 K HN 0.002 nan 8.250 nan 0.000 0.504 131 C N 2.601 121.851 119.300 -0.083 0.000 2.307 131 C HA 0.198 4.658 4.460 -0.000 0.000 0.340 131 C C 1.113 176.075 174.990 -0.047 0.000 1.275 131 C CA -0.902 58.073 59.018 -0.072 0.000 1.811 131 C CB 0.979 28.664 27.740 -0.092 0.000 2.372 131 C HN 0.520 nan 8.230 nan 0.000 0.531 132 D N 1.695 122.071 120.400 -0.040 0.000 2.084 132 D HA -0.063 4.576 4.640 -0.000 0.000 0.194 132 D C 0.365 176.646 176.300 -0.031 0.000 0.990 132 D CA 1.661 55.645 54.000 -0.028 0.000 0.826 132 D CB -0.004 40.777 40.800 -0.030 0.000 0.971 132 D HN 0.587 nan 8.370 nan 0.000 0.453 133 N N -0.314 118.359 118.700 -0.044 0.000 2.640 133 N HA 0.192 4.932 4.740 -0.000 0.000 0.262 133 N C -1.256 174.218 175.510 -0.059 0.000 1.174 133 N CA -0.197 52.827 53.050 -0.043 0.000 0.791 133 N CB 2.169 40.635 38.487 -0.036 0.000 1.279 133 N HN -0.174 nan 8.380 nan 0.000 0.535 134 V N 1.545 121.419 119.914 -0.067 0.000 2.872 134 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 134 V C 1.000 177.048 176.094 -0.077 0.000 1.072 134 V CA 1.024 63.268 62.300 -0.093 0.000 1.148 134 V CB 0.926 32.681 31.823 -0.112 0.000 0.954 134 V HN 0.744 nan 8.190 nan 0.000 0.490 135 G N 3.283 112.029 108.800 -0.089 0.000 4.765 135 G HA2 0.618 4.578 3.960 -0.000 0.000 0.276 135 G HA3 0.618 4.578 3.960 -0.000 0.000 0.276 135 G C 0.121 174.978 174.900 -0.072 0.000 0.986 135 G CA 0.427 45.487 45.100 -0.066 0.000 0.755 135 G HN 1.616 nan 8.290 nan 0.000 0.391 136 G N 0.019 108.759 108.800 -0.100 0.000 2.322 136 G HA2 0.358 4.317 3.960 -0.000 0.000 0.289 136 G HA3 0.358 4.317 3.960 -0.000 0.000 0.289 136 G C -1.572 173.247 174.900 -0.136 0.000 1.687 136 G CA -0.893 44.148 45.100 -0.099 0.000 0.944 136 G HN 0.385 nan 8.290 nan 0.000 0.718 137 I N 1.988 122.487 120.570 -0.119 0.000 2.418 137 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 137 I C -0.034 176.019 176.117 -0.108 0.000 1.008 137 I CA -0.831 60.391 61.300 -0.129 0.000 1.104 137 I CB 1.951 39.874 38.000 -0.127 0.000 1.264 137 I HN 0.310 nan 8.210 nan 0.000 0.438 138 I N 6.878 127.381 120.570 -0.112 0.000 2.312 138 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 138 I C -0.315 175.741 176.117 -0.102 0.000 1.008 138 I CA -0.723 60.519 61.300 -0.096 0.000 1.226 138 I CB 1.496 39.435 38.000 -0.102 0.000 1.371 138 I HN 0.198 nan 8.210 nan 0.000 0.468 139 V N 7.932 127.778 119.914 -0.113 0.000 2.348 139 V HA 0.253 4.373 4.120 -0.000 0.000 0.270 139 V C 0.136 176.149 176.094 -0.134 0.000 1.037 139 V CA -0.388 61.805 62.300 -0.179 0.000 0.872 139 V CB 1.486 33.124 31.823 -0.308 0.000 1.002 139 V HN 0.521 nan 8.190 nan 0.000 0.464 140 L N 7.674 128.852 121.223 -0.076 0.000 2.272 140 L HA 0.701 5.040 4.340 -0.000 0.000 0.289 140 L C -0.195 176.770 176.870 0.159 0.000 1.032 140 L CA -0.092 54.771 54.840 0.038 0.000 0.810 140 L CB 0.545 42.570 42.059 -0.057 0.000 1.205 140 L HN 0.970 nan 8.230 nan 0.000 0.422 141 H N 2.371 121.458 119.070 0.029 0.000 3.003 141 H HA 0.658 5.214 4.556 -0.001 0.000 0.327 141 H C -1.502 173.863 175.328 0.061 0.000 1.353 141 H CA -1.271 54.807 56.048 0.051 0.000 1.142 141 H CB 1.455 31.265 29.762 0.080 0.000 1.864 141 H HN 0.519 nan 8.280 nan 0.000 0.529 142 A N 1.991 124.846 122.820 0.059 0.000 2.273 142 A HA 0.303 4.623 4.320 -0.000 0.000 0.320 142 A C 0.780 178.319 177.584 -0.075 0.000 1.358 142 A CA -0.776 51.241 52.037 -0.032 0.000 0.910 142 A CB -0.192 18.814 19.000 0.011 0.000 1.159 142 A HN 0.850 nan 8.150 nan 0.000 0.526 143 I N 2.475 122.937 120.570 -0.181 0.000 3.010 143 I HA -0.138 4.032 4.170 -0.000 0.000 0.271 143 I C 1.802 177.907 176.117 -0.020 0.000 1.293 143 I CA 1.495 62.717 61.300 -0.130 0.000 1.452 143 I CB 0.117 38.019 38.000 -0.163 0.000 1.082 143 I HN 0.733 nan 8.210 nan 0.000 0.484 144 G N 0.003 108.794 108.800 -0.014 0.000 2.551 144 G HA2 0.046 4.005 3.960 -0.000 0.000 0.216 144 G HA3 0.046 4.005 3.960 -0.000 0.000 0.216 144 G C 0.956 175.881 174.900 0.041 0.000 1.137 144 G CA 0.502 45.602 45.100 -0.000 0.000 0.798 144 G HN 0.506 nan 8.290 nan 0.000 0.536 145 G N -0.409 108.432 108.800 0.068 0.000 2.829 145 G HA2 0.431 4.390 3.960 -0.000 0.000 0.173 145 G HA3 0.431 4.390 3.960 -0.000 0.000 0.173 145 G C 1.096 176.097 174.900 0.169 0.000 1.476 145 G CA 0.530 45.684 45.100 0.090 0.000 1.072 145 G HN 0.296 nan 8.290 nan 0.000 0.577 146 G N -1.755 107.136 108.800 0.153 0.000 2.763 146 G HA2 0.141 4.100 3.960 -0.000 0.000 0.205 146 G HA3 0.141 4.100 3.960 -0.000 0.000 0.205 146 G C 1.654 176.672 174.900 0.197 0.000 1.137 146 G CA 1.395 46.611 45.100 0.194 0.000 0.839 146 G HN 0.511 nan 8.290 nan 0.000 0.596 147 T N 1.337 115.980 114.554 0.149 0.000 2.668 147 T HA -0.012 4.338 4.350 -0.000 0.000 0.262 147 T C 2.490 177.343 174.700 0.256 0.000 1.045 147 T CA 1.581 63.783 62.100 0.169 0.000 1.152 147 T CB -0.745 68.186 68.868 0.105 0.000 0.864 147 T HN 0.294 nan 8.240 nan 0.000 0.419 148 G N 1.554 110.494 108.800 0.233 0.000 2.440 148 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 148 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 148 G C 1.954 177.073 174.900 0.366 0.000 1.154 148 G CA 1.543 46.823 45.100 0.301 0.000 0.767 148 G HN 0.629 nan 8.290 nan 0.000 0.552 149 S N 0.510 116.399 115.700 0.314 0.000 2.357 149 S HA 0.129 4.599 4.470 -0.000 0.000 0.221 149 S C 2.423 177.364 174.600 0.568 0.000 1.031 149 S CA 1.424 59.869 58.200 0.408 0.000 0.982 149 S CB -0.811 62.644 63.200 0.425 0.000 0.853 149 S HN 0.433 nan 8.310 nan 0.000 0.458 150 G N 0.915 109.963 108.800 0.413 0.000 2.496 150 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 150 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 150 G C 1.222 176.231 174.900 0.181 0.000 1.234 150 G CA 0.660 45.788 45.100 0.046 0.000 0.807 150 G HN 0.441 nan 8.290 nan 0.000 0.543 151 F N 2.712 122.723 119.950 0.101 0.000 2.171 151 F HA 0.027 4.554 4.527 -0.000 0.000 0.300 151 F C 2.544 178.426 175.800 0.135 0.000 1.090 151 F CA 1.176 59.232 58.000 0.094 0.000 1.293 151 F CB -0.556 38.478 39.000 0.056 0.000 1.013 151 F HN 0.142 nan 8.300 nan 0.000 0.486 152 G N 0.078 108.992 108.800 0.189 0.000 2.679 152 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.217 152 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.217 152 G C 1.913 176.840 174.900 0.045 0.000 1.267 152 G CA 1.549 46.730 45.100 0.136 0.000 0.799 152 G HN 0.605 nan 8.290 nan 0.000 0.606 153 A N 0.260 123.198 122.820 0.198 0.000 1.903 153 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 153 A C 2.456 180.117 177.584 0.130 0.000 1.191 153 A CA 2.163 54.302 52.037 0.171 0.000 0.638 153 A CB -0.641 18.487 19.000 0.214 0.000 0.823 153 A HN 0.621 nan 8.150 nan 0.000 0.451 154 L N -0.545 120.770 121.223 0.153 0.000 2.012 154 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 154 L C 2.238 178.975 176.870 -0.222 0.000 1.073 154 L CA 2.023 56.884 54.840 0.035 0.000 0.748 154 L CB -0.435 41.559 42.059 -0.108 0.000 0.891 154 L HN 0.440 nan 8.230 nan 0.000 0.431 155 L N -0.633 120.269 121.223 -0.535 0.000 2.141 155 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 155 L C 2.425 179.175 176.870 -0.199 0.000 1.094 155 L CA 1.886 56.428 54.840 -0.496 0.000 0.763 155 L CB -0.567 41.058 42.059 -0.722 0.000 0.908 155 L HN 0.401 nan 8.230 nan 0.000 0.437 156 I N -0.249 120.241 120.570 -0.132 0.000 2.439 156 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 156 I C 2.316 178.428 176.117 -0.008 0.000 1.139 156 I CA 0.772 62.039 61.300 -0.056 0.000 1.438 156 I CB -0.091 37.896 38.000 -0.022 0.000 1.085 156 I HN 0.302 nan 8.210 nan 0.000 0.427 157 E N 0.697 120.904 120.200 0.012 0.000 2.107 157 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 157 E C 2.271 178.884 176.600 0.022 0.000 0.982 157 E CA 1.564 57.989 56.400 0.041 0.000 0.809 157 E CB 0.017 29.775 29.700 0.097 0.000 0.756 157 E HN 0.494 nan 8.360 nan 0.000 0.459 158 S N 0.868 116.567 115.700 -0.003 0.000 2.436 158 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 158 S C 1.948 176.569 174.600 0.036 0.000 1.014 158 S CA 0.224 58.425 58.200 0.001 0.000 0.950 158 S CB -0.083 63.107 63.200 -0.016 0.000 0.784 158 S HN 0.083 nan 8.310 nan 0.000 0.504 159 L N 1.051 122.299 121.223 0.042 0.000 2.291 159 L HA 0.252 4.592 4.340 -0.000 0.000 0.214 159 L C 1.885 178.827 176.870 0.119 0.000 1.120 159 L CA 1.516 56.420 54.840 0.108 0.000 0.799 159 L CB -0.431 41.650 42.059 0.037 0.000 0.925 159 L HN 0.070 nan 8.230 nan 0.000 0.446 160 K N -0.709 119.729 120.400 0.063 0.000 2.374 160 K HA 0.046 4.365 4.320 -0.000 0.000 0.196 160 K C 1.519 178.142 176.600 0.038 0.000 1.023 160 K CA 0.252 56.572 56.287 0.055 0.000 1.103 160 K CB 0.618 33.141 32.500 0.038 0.000 0.848 160 K HN 0.513 nan 8.250 nan 0.000 0.528 161 E N 0.900 121.114 120.200 0.023 0.000 2.110 161 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 161 E C 1.819 178.392 176.600 -0.045 0.000 0.950 161 E CA 0.444 56.841 56.400 -0.006 0.000 0.840 161 E CB 0.261 29.955 29.700 -0.010 0.000 0.809 161 E HN 0.036 nan 8.360 nan 0.000 0.465 162 K N -0.798 119.556 120.400 -0.077 0.000 2.001 162 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 162 K C 1.189 177.561 176.600 -0.380 0.000 1.048 162 K CA 1.382 57.522 56.287 -0.244 0.000 0.932 162 K CB -0.108 32.201 32.500 -0.319 0.000 0.715 162 K HN 0.060 nan 8.250 nan 0.000 0.437 163 Y N -1.604 118.691 120.300 -0.008 0.000 2.858 163 Y HA 0.285 4.835 4.550 -0.000 0.000 0.196 163 Y C 1.967 177.861 175.900 -0.010 0.000 0.925 163 Y CA 0.715 58.809 58.100 -0.010 0.000 1.172 163 Y CB -0.356 38.096 38.460 -0.013 0.000 1.050 163 Y HN 0.289 nan 8.280 nan 0.000 0.460 164 G N -0.802 108.107 108.800 0.181 0.000 2.279 164 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.223 164 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.223 164 G C 0.862 175.799 174.900 0.062 0.000 1.015 164 G CA 0.610 45.761 45.100 0.084 0.000 0.621 164 G HN 0.421 nan 8.290 nan 0.000 0.506 165 E N 0.548 120.793 120.200 0.076 0.000 2.435 165 E HA 0.356 4.706 4.350 -0.000 0.000 0.195 165 E C 1.175 177.795 176.600 0.034 0.000 1.029 165 E CA 0.312 56.740 56.400 0.047 0.000 0.865 165 E CB 0.211 29.941 29.700 0.050 0.000 0.833 165 E HN 0.652 nan 8.360 nan 0.000 0.510 166 I N 2.540 123.134 120.570 0.040 0.000 2.365 166 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 166 I C -2.247 173.864 176.117 -0.011 0.000 1.004 166 I CA -2.640 58.658 61.300 -0.005 0.000 1.311 166 I CB 1.183 39.155 38.000 -0.046 0.000 1.401 166 I HN -0.186 nan 8.210 nan 0.000 0.491 167 P HA 0.211 nan 4.420 nan 0.000 0.279 167 P C -0.970 176.305 177.300 -0.041 0.000 1.239 167 P CA -0.273 62.813 63.100 -0.024 0.000 0.789 167 P CB 1.049 32.734 31.700 -0.026 0.000 0.933 168 V N 4.349 124.242 119.914 -0.036 0.000 2.443 168 V HA 0.303 4.423 4.120 -0.000 0.000 0.293 168 V C -0.328 175.728 176.094 -0.064 0.000 1.021 168 V CA -0.570 61.699 62.300 -0.052 0.000 0.848 168 V CB 1.412 33.209 31.823 -0.043 0.000 0.998 168 V HN 0.380 nan 8.190 nan 0.000 0.424 169 L N 5.118 126.300 121.223 -0.070 0.000 2.280 169 L HA 0.687 5.026 4.340 -0.000 0.000 0.287 169 L C 0.260 177.093 176.870 -0.062 0.000 1.023 169 L CA 0.492 55.286 54.840 -0.078 0.000 0.819 169 L CB 1.757 43.781 42.059 -0.058 0.000 1.212 169 L HN 0.645 nan 8.230 nan 0.000 0.420 170 S N 4.677 120.340 115.700 -0.062 0.000 2.525 170 S HA 0.436 4.906 4.470 -0.000 0.000 0.278 170 S C -0.478 174.179 174.600 0.094 0.000 1.234 170 S CA -0.557 57.665 58.200 0.036 0.000 1.058 170 S CB 0.505 63.770 63.200 0.109 0.000 0.983 170 S HN 0.804 nan 8.310 nan 0.000 0.495 171 C N 5.341 124.757 119.300 0.194 0.000 2.248 171 C HA 0.702 5.162 4.460 -0.000 0.000 0.320 171 C C 0.711 175.897 174.990 0.327 0.000 1.065 171 C CA -0.881 58.299 59.018 0.271 0.000 1.558 171 C CB -1.230 26.678 27.740 0.279 0.000 1.787 171 C HN 0.948 nan 8.230 nan 0.000 0.426 172 A N 3.261 126.216 122.820 0.225 0.000 2.302 172 A HA 0.583 4.903 4.320 -0.000 0.000 0.295 172 A C -0.047 177.611 177.584 0.124 0.000 1.235 172 A CA -0.098 51.968 52.037 0.049 0.000 0.876 172 A CB 0.290 19.274 19.000 -0.027 0.000 1.133 172 A HN 0.651 nan 8.150 nan 0.000 0.533 173 V N 5.138 125.095 119.914 0.072 0.000 2.408 173 V HA 0.155 4.274 4.120 -0.000 0.000 0.267 173 V C 0.387 176.499 176.094 0.029 0.000 1.047 173 V CA -0.046 62.315 62.300 0.103 0.000 0.937 173 V CB 0.370 32.217 31.823 0.040 0.000 0.999 173 V HN 0.729 nan 8.190 nan 0.000 0.472 174 L N 8.170 129.418 121.223 0.041 0.000 2.395 174 L HA 0.439 4.778 4.340 -0.000 0.000 0.269 174 L C -1.912 174.949 176.870 -0.016 0.000 1.133 174 L CA -1.591 53.245 54.840 -0.007 0.000 0.812 174 L CB 1.428 43.477 42.059 -0.017 0.000 1.125 174 L HN 0.417 nan 8.230 nan 0.000 0.452 175 P HA 0.186 nan 4.420 nan 0.000 0.279 175 P C -1.121 176.140 177.300 -0.066 0.000 1.252 175 P CA -0.368 62.700 63.100 -0.052 0.000 0.811 175 P CB 1.772 33.437 31.700 -0.058 0.000 1.035 176 S N 0.280 115.927 115.700 -0.089 0.000 2.588 176 S HA 0.543 5.013 4.470 -0.000 0.000 0.275 176 S C -2.360 172.150 174.600 -0.149 0.000 1.130 176 S CA -1.518 56.616 58.200 -0.111 0.000 0.855 176 S CB 1.442 64.574 63.200 -0.115 0.000 1.116 176 S HN 0.080 nan 8.310 nan 0.000 0.472 177 P HA -0.151 nan 4.420 nan 0.000 0.214 177 P C 1.032 178.195 177.300 -0.229 0.000 1.163 177 P CA 1.368 64.371 63.100 -0.162 0.000 0.889 177 P CB -0.119 31.501 31.700 -0.134 0.000 0.790 178 Q N -0.435 119.154 119.800 -0.351 0.000 2.476 178 Q HA 0.021 4.361 4.340 -0.000 0.000 0.215 178 Q C 0.796 176.465 176.000 -0.551 0.000 0.966 178 Q CA 0.667 56.125 55.803 -0.575 0.000 0.976 178 Q CB -0.481 27.581 28.738 -1.126 0.000 0.988 178 Q HN 0.188 nan 8.270 nan 0.000 0.526 179 V N -0.529 119.196 119.914 -0.314 0.000 4.472 179 V HA -0.054 4.065 4.120 -0.000 0.000 0.397 179 V C 0.236 176.249 176.094 -0.135 0.000 1.823 179 V CA 0.613 62.789 62.300 -0.207 0.000 1.781 179 V CB 0.441 32.153 31.823 -0.185 0.000 1.044 179 V HN 0.518 nan 8.190 nan 0.000 0.401 180 S N 0.477 116.095 115.700 -0.138 0.000 2.560 180 S HA 0.227 4.696 4.470 -0.000 0.000 0.276 180 S C 0.827 175.371 174.600 -0.092 0.000 1.350 180 S CA 0.801 58.935 58.200 -0.110 0.000 1.024 180 S CB 1.403 64.533 63.200 -0.117 0.000 0.864 180 S HN 0.536 nan 8.310 nan 0.000 0.536 181 S N 0.088 115.738 115.700 -0.084 0.000 2.684 181 S HA 0.338 4.807 4.470 -0.000 0.000 0.268 181 S C -0.756 173.792 174.600 -0.086 0.000 1.075 181 S CA -0.264 57.892 58.200 -0.073 0.000 1.184 181 S CB 0.721 63.889 63.200 -0.054 0.000 1.129 181 S HN 0.669 nan 8.310 nan 0.000 0.630 182 V N 2.226 122.078 119.914 -0.104 0.000 2.752 182 V HA 0.206 4.326 4.120 -0.000 0.000 0.302 182 V C 1.046 177.026 176.094 -0.190 0.000 1.133 182 V CA -0.900 61.317 62.300 -0.137 0.000 0.919 182 V CB 1.860 33.622 31.823 -0.100 0.000 1.026 182 V HN 0.118 nan 8.190 nan 0.000 0.429 183 V N 1.000 120.748 119.914 -0.277 0.000 2.828 183 V HA -0.123 3.996 4.120 -0.000 0.000 0.260 183 V C 1.605 177.465 176.094 -0.390 0.000 1.101 183 V CA 2.301 64.398 62.300 -0.338 0.000 1.123 183 V CB -1.235 30.309 31.823 -0.466 0.000 0.704 183 V HN 1.053 nan 8.190 nan 0.000 0.493 184 T N -0.992 113.350 114.554 -0.352 0.000 3.163 184 T HA 0.187 4.536 4.350 -0.000 0.000 0.252 184 T C 1.317 175.901 174.700 -0.192 0.000 1.056 184 T CA 0.490 62.377 62.100 -0.355 0.000 0.947 184 T CB 0.146 68.962 68.868 -0.088 0.000 1.016 184 T HN 0.742 nan 8.240 nan 0.000 0.554 185 E N 3.141 123.251 120.200 -0.151 0.000 2.114 185 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 185 E C -0.473 176.070 176.600 -0.094 0.000 1.008 185 E CA 1.748 58.095 56.400 -0.088 0.000 0.810 185 E CB -1.980 27.665 29.700 -0.092 0.000 0.739 185 E HN 0.445 nan 8.360 nan 0.000 0.456 186 P HA -0.172 nan 4.420 nan 0.000 0.221 186 P C 1.018 178.349 177.300 0.052 0.000 1.150 186 P CA 1.295 64.368 63.100 -0.046 0.000 0.800 186 P CB -0.151 31.526 31.700 -0.039 0.000 0.787 187 Y N 0.651 120.804 120.300 -0.246 0.000 2.130 187 Y HA -0.152 4.398 4.550 -0.000 0.000 0.287 187 Y C 2.645 177.999 175.900 -0.909 0.000 1.124 187 Y CA 0.412 58.134 58.100 -0.631 0.000 1.118 187 Y CB -0.675 37.348 38.460 -0.729 0.000 0.994 187 Y HN -0.042 nan 8.280 nan 0.000 0.497 188 N N -0.094 118.513 118.700 -0.154 0.000 2.036 188 N HA -0.171 4.569 4.740 -0.000 0.000 0.195 188 N C 1.706 177.111 175.510 -0.176 0.000 1.037 188 N CA 2.148 55.197 53.050 -0.002 0.000 0.855 188 N CB -1.058 37.554 38.487 0.209 0.000 1.033 188 N HN 0.289 nan 8.380 nan 0.000 0.423 189 T N 1.788 116.256 114.554 -0.145 0.000 2.595 189 T HA -0.098 4.252 4.350 -0.000 0.000 0.264 189 T C 2.229 176.786 174.700 -0.239 0.000 1.058 189 T CA 1.408 63.419 62.100 -0.148 0.000 1.166 189 T CB -0.708 68.090 68.868 -0.117 0.000 0.863 189 T HN -0.025 nan 8.240 nan 0.000 0.415 190 V N 0.968 120.687 119.914 -0.325 0.000 2.317 190 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 190 V C 2.131 178.013 176.094 -0.354 0.000 1.065 190 V CA 1.834 63.879 62.300 -0.425 0.000 1.049 190 V CB -0.881 30.498 31.823 -0.741 0.000 0.651 190 V HN 0.513 nan 8.190 nan 0.000 0.450 191 F N 0.048 119.682 119.950 -0.526 0.000 2.075 191 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 191 F C 2.543 177.894 175.800 -0.748 0.000 1.113 191 F CA 0.909 58.393 58.000 -0.861 0.000 1.218 191 F CB -0.566 37.414 39.000 -1.700 0.000 0.984 191 F HN 0.173 nan 8.300 nan 0.000 0.472 192 A N 0.442 123.031 122.820 -0.385 0.000 1.972 192 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 192 A C 2.172 179.753 177.584 -0.005 0.000 1.169 192 A CA 1.038 53.041 52.037 -0.056 0.000 0.635 192 A CB -1.013 18.037 19.000 0.082 0.000 0.810 192 A HN 0.392 nan 8.150 nan 0.000 0.446 193 L N -0.288 120.902 121.223 -0.054 0.000 1.990 193 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 193 L C 2.605 179.518 176.870 0.071 0.000 1.072 193 L CA 2.072 56.922 54.840 0.017 0.000 0.755 193 L CB -0.662 41.340 42.059 -0.096 0.000 0.889 193 L HN 0.634 nan 8.230 nan 0.000 0.432 194 N N -0.592 118.097 118.700 -0.018 0.000 2.069 194 N HA -0.223 4.516 4.740 -0.000 0.000 0.196 194 N C 1.578 177.122 175.510 0.055 0.000 1.024 194 N CA 2.584 55.635 53.050 0.001 0.000 0.869 194 N CB -0.198 38.254 38.487 -0.059 0.000 1.035 194 N HN 0.203 nan 8.380 nan 0.000 0.434 195 T N 0.745 115.328 114.554 0.048 0.000 2.701 195 T HA -0.011 4.338 4.350 -0.000 0.000 0.263 195 T C 1.922 176.697 174.700 0.124 0.000 1.040 195 T CA 1.148 63.295 62.100 0.078 0.000 1.147 195 T CB -0.392 68.523 68.868 0.078 0.000 0.865 195 T HN 0.162 nan 8.240 nan 0.000 0.426 196 L N 0.758 122.075 121.223 0.157 0.000 1.997 196 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 196 L C 2.885 179.889 176.870 0.223 0.000 1.074 196 L CA 1.786 56.723 54.840 0.162 0.000 0.763 196 L CB -0.584 41.618 42.059 0.238 0.000 0.890 196 L HN 0.217 nan 8.230 nan 0.000 0.434 197 R N -0.123 120.603 120.500 0.377 0.000 2.080 197 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 197 R C 2.457 178.878 176.300 0.201 0.000 1.137 197 R CA 1.525 57.891 56.100 0.445 0.000 0.943 197 R CB -0.029 30.482 30.300 0.353 0.000 0.846 197 R HN 0.249 nan 8.270 nan 0.000 0.431 198 R N -0.687 119.889 120.500 0.127 0.000 2.173 198 R HA 0.114 4.454 4.340 -0.000 0.000 0.208 198 R C 1.778 178.115 176.300 0.061 0.000 1.035 198 R CA 0.981 57.117 56.100 0.059 0.000 1.004 198 R CB 0.258 30.583 30.300 0.042 0.000 0.917 198 R HN 0.207 nan 8.270 nan 0.000 0.462 199 S N -0.084 115.668 115.700 0.087 0.000 2.526 199 S HA 0.305 4.775 4.470 -0.000 0.000 0.220 199 S C 0.613 175.254 174.600 0.067 0.000 1.017 199 S CA -0.206 58.034 58.200 0.067 0.000 0.930 199 S CB 0.889 64.124 63.200 0.059 0.000 0.856 199 S HN 0.292 nan 8.310 nan 0.000 0.497 200 A N 1.401 124.276 122.820 0.092 0.000 2.264 200 A HA 0.478 4.798 4.320 -0.000 0.000 0.304 200 A C 0.402 178.041 177.584 0.092 0.000 1.100 200 A CA -0.408 51.647 52.037 0.029 0.000 0.839 200 A CB 0.409 19.362 19.000 -0.079 0.000 1.121 200 A HN 0.120 nan 8.150 nan 0.000 0.496 201 D N -0.267 120.146 120.400 0.022 0.000 2.305 201 D HA 0.350 4.990 4.640 -0.000 0.000 0.206 201 D C 0.367 176.726 176.300 0.098 0.000 0.974 201 D CA 1.643 55.692 54.000 0.082 0.000 0.871 201 D CB 0.473 41.284 40.800 0.018 0.000 0.947 201 D HN 0.744 nan 8.370 nan 0.000 0.516 202 A N -0.264 122.428 122.820 -0.214 0.000 2.583 202 A HA 0.396 4.716 4.320 -0.000 0.000 0.298 202 A C -1.641 175.597 177.584 -0.577 0.000 1.055 202 A CA -0.657 51.094 52.037 -0.475 0.000 0.714 202 A CB 1.070 19.964 19.000 -0.175 0.000 1.277 202 A HN 0.133 nan 8.150 nan 0.000 0.406 203 C N 3.501 122.337 119.300 -0.774 0.000 2.322 203 C HA 0.703 5.163 4.460 -0.000 0.000 0.324 203 C C -0.445 174.412 174.990 -0.222 0.000 1.249 203 C CA -0.557 58.176 59.018 -0.474 0.000 1.453 203 C CB -0.229 27.122 27.740 -0.649 0.000 2.145 203 C HN 0.906 nan 8.230 nan 0.000 0.466 204 L N 7.056 128.207 121.223 -0.120 0.000 2.261 204 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 204 L C -0.577 176.204 176.870 -0.148 0.000 1.059 204 L CA -0.323 54.426 54.840 -0.152 0.000 0.816 204 L CB 0.673 42.641 42.059 -0.151 0.000 1.191 204 L HN 0.664 nan 8.230 nan 0.000 0.431 205 I N 5.503 125.981 120.570 -0.153 0.000 2.371 205 I HA 0.178 4.347 4.170 -0.000 0.000 0.290 205 I C -0.468 175.509 176.117 -0.233 0.000 1.028 205 I CA 0.396 61.642 61.300 -0.091 0.000 1.345 205 I CB 0.820 38.812 38.000 -0.012 0.000 1.407 205 I HN 0.302 nan 8.210 nan 0.000 0.501 206 F N 5.338 125.314 119.950 0.045 0.000 2.293 206 F HA 0.238 4.765 4.527 -0.001 0.000 0.370 206 F C 0.409 176.221 175.800 0.018 0.000 1.090 206 F CA -0.774 57.265 58.000 0.064 0.000 1.133 206 F CB 0.550 39.587 39.000 0.063 0.000 1.360 206 F HN 0.340 nan 8.300 nan 0.000 0.489 207 D N 2.833 123.312 120.400 0.132 0.000 2.338 207 D HA 0.020 4.660 4.640 -0.000 0.000 0.255 207 D C 0.978 177.306 176.300 0.046 0.000 1.237 207 D CA 0.436 54.471 54.000 0.058 0.000 0.883 207 D CB 0.458 41.268 40.800 0.016 0.000 1.087 207 D HN 0.553 nan 8.370 nan 0.000 0.485 208 N N 2.651 121.366 118.700 0.025 0.000 2.223 208 N HA -0.192 4.548 4.740 -0.000 0.000 0.185 208 N C 1.442 176.956 175.510 0.008 0.000 1.016 208 N CA 0.547 53.598 53.050 0.003 0.000 0.863 208 N CB 0.279 38.755 38.487 -0.017 0.000 0.983 208 N HN 0.601 nan 8.380 nan 0.000 0.429 209 E N 1.023 121.220 120.200 -0.004 0.000 2.038 209 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 209 E C 1.966 178.600 176.600 0.057 0.000 1.000 209 E CA 1.279 57.688 56.400 0.015 0.000 0.803 209 E CB -0.082 29.614 29.700 -0.007 0.000 0.750 209 E HN 0.348 nan 8.360 nan 0.000 0.448 210 A N 1.146 123.976 122.820 0.016 0.000 1.908 210 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 210 A C 2.273 179.804 177.584 -0.088 0.000 1.181 210 A CA 1.479 53.511 52.037 -0.008 0.000 0.627 210 A CB -0.803 18.200 19.000 0.005 0.000 0.818 210 A HN 0.361 nan 8.150 nan 0.000 0.445 211 L N -2.255 118.885 121.223 -0.138 0.000 2.042 211 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 211 L C 2.495 179.277 176.870 -0.146 0.000 1.076 211 L CA 1.652 56.324 54.840 -0.280 0.000 0.749 211 L CB -0.614 41.304 42.059 -0.236 0.000 0.893 211 L HN 0.479 nan 8.230 nan 0.000 0.432 212 F N 1.551 121.410 119.950 -0.151 0.000 2.051 212 F HA -0.257 4.270 4.527 -0.000 0.000 0.296 212 F C 2.250 178.021 175.800 -0.048 0.000 1.122 212 F CA 1.958 59.902 58.000 -0.093 0.000 1.201 212 F CB -0.344 38.610 39.000 -0.077 0.000 0.978 212 F HN 0.120 nan 8.300 nan 0.000 0.472 213 D N 0.670 121.114 120.400 0.073 0.000 2.126 213 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 213 D C 2.550 178.816 176.300 -0.056 0.000 1.001 213 D CA 1.805 55.820 54.000 0.025 0.000 0.841 213 D CB -0.910 39.929 40.800 0.064 0.000 0.949 213 D HN 0.315 nan 8.370 nan 0.000 0.446 214 L N 0.598 121.747 121.223 -0.124 0.000 1.956 214 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 214 L C 2.511 179.231 176.870 -0.250 0.000 1.073 214 L CA 1.560 56.278 54.840 -0.203 0.000 0.762 214 L CB -0.570 41.281 42.059 -0.347 0.000 0.889 214 L HN 0.027 nan 8.230 nan 0.000 0.433 215 A N -1.267 121.352 122.820 -0.335 0.000 2.084 215 A HA -0.305 4.014 4.320 -0.000 0.000 0.221 215 A C 1.988 179.557 177.584 -0.026 0.000 1.161 215 A CA 2.182 54.090 52.037 -0.216 0.000 0.653 215 A CB -0.797 18.085 19.000 -0.197 0.000 0.802 215 A HN 0.643 nan 8.150 nan 0.000 0.457 216 H N -1.970 116.955 119.070 -0.240 0.000 2.553 216 H HA 0.211 4.767 4.556 -0.000 0.000 0.276 216 H C 2.168 177.443 175.328 -0.087 0.000 0.979 216 H CA 1.058 56.975 56.048 -0.219 0.000 1.268 216 H CB 0.078 29.588 29.762 -0.419 0.000 1.450 216 H HN 0.270 nan 8.280 nan 0.000 0.527 217 R N 0.453 120.875 120.500 -0.129 0.000 2.015 217 R HA 0.055 4.395 4.340 -0.000 0.000 0.212 217 R C 1.638 177.921 176.300 -0.028 0.000 1.304 217 R CA 0.630 56.658 56.100 -0.120 0.000 1.040 217 R CB 0.021 30.300 30.300 -0.036 0.000 0.915 217 R HN 0.112 nan 8.270 nan 0.000 0.465 218 K N -0.244 120.175 120.400 0.031 0.000 2.147 218 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 218 K C 1.758 178.543 176.600 0.308 0.000 1.049 218 K CA 0.932 57.297 56.287 0.131 0.000 0.936 218 K CB -0.136 32.439 32.500 0.125 0.000 0.722 218 K HN 0.318 nan 8.250 nan 0.000 0.446 219 W N 1.759 123.039 121.300 -0.034 0.000 3.177 219 W HA 0.052 4.712 4.660 -0.000 0.000 0.309 219 W C -0.423 176.058 176.519 -0.063 0.000 1.224 219 W CA -0.919 56.410 57.345 -0.027 0.000 1.718 219 W CB -0.955 28.493 29.460 -0.020 0.000 1.078 219 W HN 0.297 nan 8.180 nan 0.000 0.618 220 N N 1.187 119.937 118.700 0.085 0.000 2.664 220 N HA -0.234 4.505 4.740 -0.000 0.000 0.296 220 N C -0.968 174.529 175.510 -0.022 0.000 1.153 220 N CA 0.657 53.660 53.050 -0.079 0.000 0.765 220 N CB -1.698 36.732 38.487 -0.094 0.000 0.962 220 N HN -0.105 nan 8.380 nan 0.000 0.564 221 I N 1.082 121.662 120.570 0.017 0.000 2.382 221 I HA 0.129 4.299 4.170 -0.000 0.000 0.286 221 I C 1.767 177.984 176.117 0.166 0.000 1.002 221 I CA -0.829 60.518 61.300 0.079 0.000 1.135 221 I CB 1.415 39.473 38.000 0.096 0.000 1.288 221 I HN 0.583 nan 8.210 nan 0.000 0.448 222 E N 4.983 125.257 120.200 0.124 0.000 2.072 222 E HA -0.220 4.130 4.350 -0.000 0.000 0.218 222 E C -0.044 176.631 176.600 0.125 0.000 1.051 222 E CA 1.507 58.002 56.400 0.157 0.000 0.880 222 E CB -0.179 29.573 29.700 0.087 0.000 0.783 222 E HN 0.411 nan 8.360 nan 0.000 0.473 223 S N 2.636 118.379 115.700 0.070 0.000 2.745 223 S HA 0.423 4.893 4.470 -0.000 0.000 0.283 223 S C -2.586 172.056 174.600 0.069 0.000 1.170 223 S CA -1.154 57.080 58.200 0.057 0.000 1.119 223 S CB 1.986 65.237 63.200 0.085 0.000 1.035 223 S HN 0.047 nan 8.310 nan 0.000 0.483 224 P HA 0.207 nan 4.420 nan 0.000 0.271 224 P C 0.006 177.416 177.300 0.184 0.000 1.216 224 P CA -0.168 62.961 63.100 0.049 0.000 0.771 224 P CB 0.456 32.058 31.700 -0.165 0.000 0.864 225 T N -1.806 112.825 114.554 0.127 0.000 2.912 225 T HA 0.229 4.578 4.350 -0.000 0.000 0.280 225 T C 1.423 176.183 174.700 0.101 0.000 0.989 225 T CA -0.681 61.485 62.100 0.110 0.000 0.995 225 T CB 0.648 69.562 68.868 0.077 0.000 1.077 225 T HN 0.192 nan 8.240 nan 0.000 0.531 226 V N -1.586 118.370 119.914 0.070 0.000 2.867 226 V HA -0.070 4.050 4.120 -0.000 0.000 0.260 226 V C 1.498 177.616 176.094 0.041 0.000 1.099 226 V CA 1.526 63.855 62.300 0.047 0.000 1.122 226 V CB -1.203 30.634 31.823 0.024 0.000 0.708 226 V HN 0.753 nan 8.190 nan 0.000 0.490 227 D N 0.693 121.125 120.400 0.053 0.000 2.149 227 D HA -0.096 4.543 4.640 -0.000 0.000 0.201 227 D C 1.951 178.297 176.300 0.076 0.000 0.972 227 D CA 1.432 55.466 54.000 0.057 0.000 0.835 227 D CB -0.241 40.594 40.800 0.059 0.000 0.966 227 D HN 0.448 nan 8.370 nan 0.000 0.476 228 D N 0.322 120.779 120.400 0.095 0.000 2.084 228 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 228 D C 2.332 178.675 176.300 0.072 0.000 0.990 228 D CA 0.573 54.660 54.000 0.145 0.000 0.826 228 D CB -0.259 40.628 40.800 0.145 0.000 0.971 228 D HN 0.204 nan 8.370 nan 0.000 0.453 229 L N 0.884 122.117 121.223 0.016 0.000 2.043 229 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 229 L C 2.126 178.938 176.870 -0.096 0.000 1.075 229 L CA 1.043 55.842 54.840 -0.068 0.000 0.752 229 L CB -0.537 41.514 42.059 -0.014 0.000 0.891 229 L HN -0.003 nan 8.230 nan 0.000 0.432 230 N N -0.221 118.456 118.700 -0.038 0.000 2.223 230 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 230 N C 1.663 177.155 175.510 -0.030 0.000 1.016 230 N CA 0.876 53.897 53.050 -0.049 0.000 0.863 230 N CB -0.251 38.230 38.487 -0.011 0.000 0.983 230 N HN 0.075 nan 8.380 nan 0.000 0.429 231 L N 0.696 121.942 121.223 0.038 0.000 2.042 231 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 231 L C 2.043 178.949 176.870 0.061 0.000 1.076 231 L CA 1.160 56.063 54.840 0.106 0.000 0.749 231 L CB -0.883 41.327 42.059 0.253 0.000 0.893 231 L HN 0.196 nan 8.230 nan 0.000 0.432 232 L N -1.321 119.854 121.223 -0.080 0.000 2.012 232 L HA -0.256 4.083 4.340 -0.000 0.000 0.210 232 L C 2.449 179.327 176.870 0.013 0.000 1.073 232 L CA 1.316 56.048 54.840 -0.180 0.000 0.748 232 L CB -0.555 41.167 42.059 -0.561 0.000 0.891 232 L HN 0.198 nan 8.230 nan 0.000 0.431 233 I N -0.535 119.984 120.570 -0.085 0.000 2.248 233 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 233 I C 2.512 178.551 176.117 -0.129 0.000 1.107 233 I CA 1.561 62.725 61.300 -0.226 0.000 1.373 233 I CB -0.567 37.088 38.000 -0.575 0.000 1.055 233 I HN 0.314 nan 8.210 nan 0.000 0.418 234 T N 0.048 114.572 114.554 -0.050 0.000 2.701 234 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 234 T C 1.803 176.527 174.700 0.041 0.000 1.040 234 T CA 1.097 63.225 62.100 0.046 0.000 1.147 234 T CB -0.207 68.700 68.868 0.065 0.000 0.865 234 T HN 0.301 nan 8.240 nan 0.000 0.426 235 E N 1.131 121.308 120.200 -0.037 0.000 2.169 235 E HA -0.207 4.142 4.350 -0.000 0.000 0.202 235 E C 2.370 178.870 176.600 -0.167 0.000 1.016 235 E CA 1.433 57.722 56.400 -0.185 0.000 0.817 235 E CB -0.364 29.040 29.700 -0.494 0.000 0.736 235 E HN 0.536 nan 8.360 nan 0.000 0.462 236 A N 1.018 123.806 122.820 -0.054 0.000 1.843 236 A HA -0.060 4.259 4.320 -0.000 0.000 0.213 236 A C 2.409 180.093 177.584 0.166 0.000 1.202 236 A CA 0.743 52.830 52.037 0.084 0.000 0.607 236 A CB -0.784 18.334 19.000 0.196 0.000 0.847 236 A HN 0.154 nan 8.150 nan 0.000 0.445 237 L N -0.410 120.935 121.223 0.203 0.000 2.051 237 L HA -0.311 4.029 4.340 -0.000 0.000 0.214 237 L C 3.089 180.155 176.870 0.327 0.000 1.076 237 L CA 1.392 56.377 54.840 0.241 0.000 0.758 237 L CB -0.661 41.497 42.059 0.164 0.000 0.890 237 L HN 0.491 nan 8.230 nan 0.000 0.433 238 A N 0.225 123.186 122.820 0.235 0.000 1.858 238 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 238 A C 2.413 180.047 177.584 0.084 0.000 1.190 238 A CA 1.731 53.799 52.037 0.052 0.000 0.617 238 A CB -1.324 17.651 19.000 -0.042 0.000 0.827 238 A HN 0.442 nan 8.150 nan 0.000 0.443 239 G N -0.349 108.535 108.800 0.139 0.000 2.448 239 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 239 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 239 G C 1.479 176.444 174.900 0.110 0.000 1.127 239 G CA 1.116 46.318 45.100 0.170 0.000 0.766 239 G HN 0.489 nan 8.290 nan 0.000 0.552 240 I N 1.233 121.865 120.570 0.103 0.000 2.277 240 I HA -0.099 4.071 4.170 -0.000 0.000 0.243 240 I C 3.084 179.239 176.117 0.064 0.000 1.094 240 I CA 1.608 62.945 61.300 0.063 0.000 1.393 240 I CB -0.512 37.528 38.000 0.066 0.000 1.078 240 I HN 0.266 nan 8.210 nan 0.000 0.417 241 T N -0.640 113.965 114.554 0.085 0.000 3.051 241 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 241 T C 1.885 176.566 174.700 -0.031 0.000 1.127 241 T CA 0.749 62.875 62.100 0.045 0.000 1.107 241 T CB -0.254 68.598 68.868 -0.027 0.000 0.898 241 T HN 0.306 nan 8.240 nan 0.000 0.517 242 A N 1.802 124.632 122.820 0.018 0.000 1.940 242 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 242 A C 2.606 180.241 177.584 0.086 0.000 1.176 242 A CA 1.772 53.859 52.037 0.083 0.000 0.631 242 A CB -1.141 17.951 19.000 0.153 0.000 0.814 242 A HN 0.535 nan 8.150 nan 0.000 0.446 243 S N -0.840 114.893 115.700 0.054 0.000 2.584 243 S HA -0.017 4.452 4.470 -0.000 0.000 0.240 243 S C 1.537 176.167 174.600 0.049 0.000 0.975 243 S CA 1.452 59.676 58.200 0.041 0.000 0.949 243 S CB -0.350 62.855 63.200 0.008 0.000 0.761 243 S HN 0.641 nan 8.310 nan 0.000 0.536 244 M N -0.759 118.876 119.600 0.057 0.000 2.740 244 M HA 0.240 4.719 4.480 -0.000 0.000 0.253 244 M C 1.928 178.259 176.300 0.052 0.000 1.341 244 M CA 0.273 55.628 55.300 0.093 0.000 1.176 244 M CB 0.033 32.762 32.600 0.215 0.000 1.310 244 M HN -0.013 nan 8.290 nan 0.000 0.531 245 R N 0.036 120.500 120.500 -0.060 0.000 2.119 245 R HA 0.159 4.498 4.340 -0.000 0.000 0.222 245 R C -0.074 175.981 176.300 -0.407 0.000 1.088 245 R CA 0.823 56.789 56.100 -0.223 0.000 0.984 245 R CB 0.199 30.286 30.300 -0.355 0.000 0.884 245 R HN 0.167 nan 8.270 nan 0.000 0.447 246 F N -1.033 118.953 119.950 0.060 0.000 2.575 246 F HA 0.305 4.831 4.527 -0.000 0.000 0.330 246 F C 0.524 176.323 175.800 -0.001 0.000 1.056 246 F CA -1.137 56.873 58.000 0.016 0.000 0.964 246 F CB 1.681 40.652 39.000 -0.048 0.000 1.258 246 F HN -0.246 nan 8.300 nan 0.000 0.484 247 S N 0.081 115.911 115.700 0.218 0.000 2.610 247 S HA 0.648 5.118 4.470 -0.000 0.000 0.273 247 S C 0.221 174.830 174.600 0.013 0.000 1.274 247 S CA -0.293 57.965 58.200 0.096 0.000 1.023 247 S CB 0.807 64.062 63.200 0.093 0.000 0.962 247 S HN 0.821 nan 8.310 nan 0.000 0.523 248 G N 2.038 110.826 108.800 -0.021 0.000 2.543 248 G HA2 0.456 4.416 3.960 -0.000 0.000 0.267 248 G HA3 0.456 4.416 3.960 -0.000 0.000 0.267 248 G C 0.220 175.053 174.900 -0.112 0.000 1.406 248 G CA -0.472 44.541 45.100 -0.145 0.000 1.048 248 G HN 0.740 nan 8.290 nan 0.000 0.548 249 F N -1.401 118.596 119.950 0.078 0.000 2.274 249 F HA 0.248 4.775 4.527 -0.000 0.000 0.288 249 F C 2.315 178.131 175.800 0.028 0.000 1.069 249 F CA 0.387 58.403 58.000 0.026 0.000 1.343 249 F CB 0.179 39.160 39.000 -0.032 0.000 1.089 249 F HN 0.028 nan 8.300 nan 0.000 0.517 250 L N -1.136 120.224 121.223 0.227 0.000 2.609 250 L HA 0.200 4.540 4.340 -0.000 0.000 0.230 250 L C -0.016 176.914 176.870 0.100 0.000 1.087 250 L CA 0.328 55.253 54.840 0.141 0.000 0.874 250 L CB 0.228 42.365 42.059 0.130 0.000 1.114 250 L HN -0.048 nan 8.230 nan 0.000 0.488 251 T N -1.169 113.441 114.554 0.092 0.000 2.912 251 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 251 T C 0.757 175.488 174.700 0.052 0.000 1.030 251 T CA -0.427 61.712 62.100 0.064 0.000 1.020 251 T CB 3.071 71.974 68.868 0.058 0.000 1.056 251 T HN -0.335 nan 8.240 nan 0.000 0.480 252 V N 0.438 120.378 119.914 0.043 0.000 3.471 252 V HA 0.273 4.393 4.120 -0.000 0.000 0.258 252 V C 0.633 176.748 176.094 0.035 0.000 1.192 252 V CA 0.557 62.881 62.300 0.040 0.000 1.116 252 V CB -0.291 31.552 31.823 0.033 0.000 0.792 252 V HN 0.889 nan 8.190 nan 0.000 0.459 253 E N 0.143 120.361 120.200 0.030 0.000 2.431 253 E HA 0.263 4.613 4.350 -0.000 0.000 0.287 253 E C -2.013 174.602 176.600 0.025 0.000 1.032 253 E CA -0.540 55.877 56.400 0.029 0.000 0.839 253 E CB 1.898 31.612 29.700 0.022 0.000 1.218 253 E HN 0.225 nan 8.360 nan 0.000 0.424 254 I N 3.399 123.984 120.570 0.024 0.000 2.339 254 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 254 I C 0.622 176.750 176.117 0.019 0.000 0.994 254 I CA -0.727 60.582 61.300 0.015 0.000 1.191 254 I CB 1.583 39.584 38.000 0.002 0.000 1.343 254 I HN 0.514 nan 8.210 nan 0.000 0.458 255 S N 6.458 122.166 115.700 0.013 0.000 2.576 255 S HA 0.160 4.630 4.470 -0.000 0.000 0.276 255 S C 1.168 175.773 174.600 0.008 0.000 1.339 255 S CA -0.727 57.480 58.200 0.012 0.000 1.039 255 S CB 1.507 64.709 63.200 0.002 0.000 0.902 255 S HN 0.692 nan 8.310 nan 0.000 0.516 256 L N 1.645 122.874 121.223 0.011 0.000 2.081 256 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 256 L C 2.675 179.540 176.870 -0.009 0.000 1.080 256 L CA 2.175 57.018 54.840 0.004 0.000 0.754 256 L CB -0.749 41.308 42.059 -0.003 0.000 0.893 256 L HN 1.016 nan 8.230 nan 0.000 0.433 257 R N 0.156 120.650 120.500 -0.010 0.000 2.070 257 R HA -0.262 4.078 4.340 -0.000 0.000 0.232 257 R C 2.258 178.554 176.300 -0.008 0.000 1.138 257 R CA 2.047 58.141 56.100 -0.010 0.000 0.936 257 R CB -0.408 29.886 30.300 -0.009 0.000 0.839 257 R HN 0.494 nan 8.270 nan 0.000 0.429 258 E N 0.192 120.389 120.200 -0.006 0.000 2.048 258 E HA -0.277 4.073 4.350 -0.000 0.000 0.202 258 E C 2.024 178.617 176.600 -0.013 0.000 1.021 258 E CA 1.759 58.155 56.400 -0.006 0.000 0.825 258 E CB -0.264 29.434 29.700 -0.003 0.000 0.756 258 E HN 0.301 nan 8.360 nan 0.000 0.454 259 L N 0.770 121.984 121.223 -0.016 0.000 2.021 259 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 259 L C 2.308 179.162 176.870 -0.028 0.000 1.074 259 L CA 1.782 56.605 54.840 -0.028 0.000 0.760 259 L CB -0.459 41.585 42.059 -0.026 0.000 0.889 259 L HN 0.310 nan 8.230 nan 0.000 0.433 260 L N -1.523 119.688 121.223 -0.020 0.000 2.095 260 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 260 L C 2.466 179.331 176.870 -0.007 0.000 1.080 260 L CA 1.465 56.295 54.840 -0.016 0.000 0.759 260 L CB -1.152 40.897 42.059 -0.016 0.000 0.914 260 L HN 0.475 nan 8.230 nan 0.000 0.439 261 T N -3.056 111.495 114.554 -0.006 0.000 2.977 261 T HA -0.185 4.164 4.350 -0.000 0.000 0.271 261 T C 1.641 176.339 174.700 -0.003 0.000 1.105 261 T CA 1.345 63.444 62.100 -0.001 0.000 1.116 261 T CB -0.327 68.541 68.868 -0.000 0.000 0.878 261 T HN 0.264 nan 8.240 nan 0.000 0.509 262 N N 0.521 119.215 118.700 -0.010 0.000 2.336 262 N HA 0.170 4.909 4.740 -0.000 0.000 0.177 262 N C 1.816 177.317 175.510 -0.015 0.000 1.018 262 N CA 0.624 53.665 53.050 -0.015 0.000 0.878 262 N CB -0.052 38.420 38.487 -0.025 0.000 0.997 262 N HN 0.418 nan 8.380 nan 0.000 0.433 263 L N 0.627 121.842 121.223 -0.013 0.000 2.240 263 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 263 L C 0.320 177.203 176.870 0.023 0.000 1.106 263 L CA 0.378 55.217 54.840 -0.001 0.000 0.793 263 L CB 0.273 42.325 42.059 -0.011 0.000 0.927 263 L HN -0.141 nan 8.230 nan 0.000 0.446 264 V N 1.935 121.864 119.914 0.025 0.000 2.270 264 V HA 0.136 4.256 4.120 -0.000 0.000 0.263 264 V C -1.050 175.063 176.094 0.031 0.000 1.066 264 V CA -0.812 61.516 62.300 0.046 0.000 0.857 264 V CB 0.630 32.487 31.823 0.057 0.000 1.099 264 V HN 0.116 nan 8.190 nan 0.000 0.476 265 P HA -0.028 nan 4.420 nan 0.000 0.220 265 P C 0.261 177.603 177.300 0.071 0.000 1.152 265 P CA 0.822 63.955 63.100 0.055 0.000 0.812 265 P CB 0.854 32.587 31.700 0.054 0.000 0.792 266 Q N -1.449 118.375 119.800 0.041 0.000 2.423 266 Q HA 0.280 4.619 4.340 -0.000 0.000 0.278 266 Q C -2.224 173.718 176.000 -0.095 0.000 1.097 266 Q CA -2.199 53.594 55.803 -0.017 0.000 0.809 266 Q CB 2.271 30.994 28.738 -0.024 0.000 1.391 266 Q HN -0.234 nan 8.270 nan 0.000 0.428 267 P HA -0.189 nan 4.420 nan 0.000 0.216 267 P C 0.669 177.712 177.300 -0.429 0.000 1.157 267 P CA 1.537 64.500 63.100 -0.229 0.000 0.880 267 P CB 0.264 31.873 31.700 -0.151 0.000 0.791 268 S N -1.495 114.038 115.700 -0.279 0.000 2.634 268 S HA 0.210 4.680 4.470 -0.000 0.000 0.221 268 S C 0.711 175.229 174.600 -0.138 0.000 0.952 268 S CA 0.063 58.127 58.200 -0.227 0.000 0.930 268 S CB -0.548 62.592 63.200 -0.100 0.000 0.780 268 S HN 0.051 nan 8.310 nan 0.000 0.498 269 L N 2.207 123.315 121.223 -0.192 0.000 2.999 269 L HA 0.311 4.651 4.340 -0.000 0.000 0.263 269 L C 0.354 177.319 176.870 0.159 0.000 1.320 269 L CA -0.087 54.614 54.840 -0.230 0.000 0.913 269 L CB -0.163 41.690 42.059 -0.344 0.000 1.296 269 L HN 0.485 nan 8.230 nan 0.000 0.546 270 H N -2.787 116.337 119.070 0.089 0.000 2.505 270 H HA 0.312 4.868 4.556 -0.000 0.000 0.260 270 H C -0.712 174.521 175.328 -0.157 0.000 1.168 270 H CA -0.777 55.248 56.048 -0.039 0.000 0.945 270 H CB 0.022 29.690 29.762 -0.157 0.000 1.800 270 H HN 0.130 nan 8.280 nan 0.000 0.586 271 F N 2.728 122.884 119.950 0.343 0.000 2.308 271 F HA 0.315 4.841 4.527 -0.001 0.000 0.370 271 F C -0.129 175.664 175.800 -0.013 0.000 1.100 271 F CA -0.808 57.247 58.000 0.091 0.000 1.108 271 F CB 0.963 40.013 39.000 0.083 0.000 1.293 271 F HN 0.166 nan 8.300 nan 0.000 0.478 272 L N 3.745 124.987 121.223 0.033 0.000 2.421 272 L HA 0.556 4.895 4.340 -0.000 0.000 0.263 272 L C -0.003 176.801 176.870 -0.110 0.000 1.122 272 L CA -0.636 54.179 54.840 -0.041 0.000 0.804 272 L CB 1.161 43.170 42.059 -0.083 0.000 1.150 272 L HN 0.568 nan 8.230 nan 0.000 0.457 273 M N 1.417 120.932 119.600 -0.141 0.000 2.761 273 M HA 0.621 5.101 4.480 -0.000 0.000 0.305 273 M C -0.945 175.217 176.300 -0.230 0.000 1.235 273 M CA -0.539 54.648 55.300 -0.188 0.000 0.850 273 M CB 2.626 35.133 32.600 -0.155 0.000 1.744 273 M HN 0.851 nan 8.290 nan 0.000 0.480 274 C N -0.030 119.096 119.300 -0.289 0.000 3.082 274 C HA 1.010 5.470 4.460 -0.000 0.000 0.324 274 C C -1.131 173.580 174.990 -0.465 0.000 1.210 274 C CA -0.687 58.117 59.018 -0.357 0.000 1.366 274 C CB 0.812 28.305 27.740 -0.413 0.000 1.756 274 C HN 1.047 nan 8.230 nan 0.000 0.485 275 A N 1.912 124.476 122.820 -0.426 0.000 2.469 275 A HA 0.964 5.284 4.320 -0.000 0.000 0.299 275 A C -1.472 175.935 177.584 -0.294 0.000 1.098 275 A CA -0.456 51.350 52.037 -0.386 0.000 0.737 275 A CB 1.544 20.397 19.000 -0.244 0.000 1.312 275 A HN 1.652 nan 8.150 nan 0.000 0.414 276 F N 0.018 119.773 119.950 -0.325 0.000 2.620 276 F HA 0.818 5.344 4.527 -0.001 0.000 0.320 276 F C -0.171 175.616 175.800 -0.021 0.000 1.069 276 F CA 0.147 58.055 58.000 -0.153 0.000 0.953 276 F CB 2.222 41.186 39.000 -0.060 0.000 1.322 276 F HN 1.145 nan 8.300 nan 0.000 0.479 277 A N 3.765 126.001 122.820 -0.974 0.000 2.582 277 A HA 0.623 4.943 4.320 -0.000 0.000 0.297 277 A C -3.217 173.836 177.584 -0.886 0.000 1.059 277 A CA -1.243 50.444 52.037 -0.583 0.000 0.705 277 A CB 1.580 20.405 19.000 -0.292 0.000 1.279 277 A HN 0.368 nan 8.150 nan 0.000 0.404 278 P HA 0.418 nan 4.420 nan 0.000 0.282 278 P C -0.715 176.624 177.300 0.065 0.000 1.249 278 P CA -0.222 62.723 63.100 -0.257 0.000 0.806 278 P CB 1.092 32.593 31.700 -0.332 0.000 0.984 279 L N 2.696 124.057 121.223 0.230 0.000 2.556 279 L HA 0.248 4.587 4.340 -0.000 0.000 0.245 279 L C 0.326 177.473 176.870 0.461 0.000 1.174 279 L CA 0.063 55.207 54.840 0.506 0.000 1.117 279 L CB 0.022 42.306 42.059 0.375 0.000 1.409 279 L HN 0.286 nan 8.230 nan 0.000 0.411 280 T N 2.976 117.752 114.554 0.369 0.000 2.758 280 T HA 0.321 4.671 4.350 -0.000 0.000 0.285 280 T C -2.289 172.371 174.700 -0.066 0.000 0.981 280 T CA -1.224 60.978 62.100 0.170 0.000 0.965 280 T CB 1.387 70.324 68.868 0.114 0.000 0.927 280 T HN 0.205 nan 8.240 nan 0.000 0.448 281 P HA 0.074 nan 4.420 nan 0.000 0.264 281 P C -2.293 174.736 177.300 -0.452 0.000 1.179 281 P CA -0.979 61.811 63.100 -0.516 0.000 0.763 281 P CB 0.176 31.767 31.700 -0.180 0.000 0.806 282 P HA -0.121 nan 4.420 nan 0.000 0.238 282 P C 0.674 177.844 177.300 -0.218 0.000 1.175 282 P CA 1.005 63.865 63.100 -0.401 0.000 0.757 282 P CB -0.140 31.289 31.700 -0.451 0.000 0.839 290 L N 0.475 121.695 121.223 -0.005 0.000 2.332 290 L HA 0.790 5.130 4.340 -0.000 0.000 0.269 290 L C 0.476 177.339 176.870 -0.011 0.000 1.016 290 L CA -0.905 53.930 54.840 -0.008 0.000 0.809 290 L CB 1.446 43.495 42.059 -0.016 0.000 1.280 290 L HN 0.632 nan 8.230 nan 0.000 0.447 291 G N -0.069 108.727 108.800 -0.007 0.000 2.416 291 G HA2 0.474 4.434 3.960 -0.000 0.000 0.324 291 G HA3 0.474 4.434 3.960 -0.000 0.000 0.324 291 G C 0.820 175.717 174.900 -0.006 0.000 1.194 291 G CA -0.522 44.574 45.100 -0.007 0.000 0.922 291 G HN 0.674 nan 8.290 nan 0.000 0.467 292 I N 0.701 121.264 120.570 -0.012 0.000 2.753 292 I HA -0.454 3.716 4.170 -0.000 0.000 0.221 292 I C 2.595 178.722 176.117 0.016 0.000 0.889 292 I CA 2.293 63.587 61.300 -0.010 0.000 1.200 292 I CB -0.191 37.790 38.000 -0.032 0.000 0.924 292 I HN 0.683 nan 8.210 nan 0.000 0.375 293 E N 0.260 120.468 120.200 0.014 0.000 2.114 293 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 293 E C 2.083 178.706 176.600 0.039 0.000 1.008 293 E CA 1.950 58.367 56.400 0.028 0.000 0.810 293 E CB -0.031 29.679 29.700 0.016 0.000 0.739 293 E HN 0.555 nan 8.360 nan 0.000 0.456 294 E N -0.249 119.967 120.200 0.027 0.000 2.047 294 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 294 E C 2.218 178.840 176.600 0.037 0.000 0.987 294 E CA 1.256 57.674 56.400 0.030 0.000 0.799 294 E CB -0.098 29.613 29.700 0.018 0.000 0.752 294 E HN 0.350 nan 8.360 nan 0.000 0.449 295 M N 0.516 120.129 119.600 0.022 0.000 2.080 295 M HA -0.183 4.296 4.480 -0.000 0.000 0.260 295 M C 2.443 178.773 176.300 0.049 0.000 1.068 295 M CA 1.493 56.796 55.300 0.006 0.000 1.109 295 M CB -0.566 32.016 32.600 -0.029 0.000 1.342 295 M HN 0.140 nan 8.290 nan 0.000 0.405 296 I N -0.057 120.577 120.570 0.107 0.000 2.179 296 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 296 I C 2.402 178.663 176.117 0.240 0.000 1.088 296 I CA 1.198 62.616 61.300 0.197 0.000 1.357 296 I CB -0.589 37.546 38.000 0.225 0.000 1.051 296 I HN 0.195 nan 8.210 nan 0.000 0.409 297 K N 1.331 121.827 120.400 0.160 0.000 2.032 297 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 297 K C 2.319 179.024 176.600 0.176 0.000 1.048 297 K CA 1.921 58.301 56.287 0.156 0.000 0.927 297 K CB -0.668 31.883 32.500 0.086 0.000 0.712 297 K HN 0.445 nan 8.250 nan 0.000 0.441 298 S N 0.332 116.099 115.700 0.112 0.000 2.423 298 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 298 S C 1.983 176.615 174.600 0.052 0.000 1.014 298 S CA 0.686 58.935 58.200 0.081 0.000 0.965 298 S CB -0.477 62.752 63.200 0.049 0.000 0.785 298 S HN 0.200 nan 8.310 nan 0.000 0.495 299 L N -0.567 120.662 121.223 0.011 0.000 2.127 299 L HA -0.011 4.328 4.340 -0.000 0.000 0.211 299 L C 1.410 178.083 176.870 -0.328 0.000 1.089 299 L CA 1.366 56.081 54.840 -0.209 0.000 0.757 299 L CB -0.381 41.460 42.059 -0.363 0.000 0.899 299 L HN 0.340 nan 8.230 nan 0.000 0.434 300 F N -1.005 118.973 119.950 0.046 0.000 2.660 300 F HA 0.121 4.648 4.527 -0.001 0.000 0.302 300 F C 0.736 176.588 175.800 0.086 0.000 1.103 300 F CA -0.740 57.306 58.000 0.077 0.000 1.340 300 F CB -0.311 38.714 39.000 0.041 0.000 1.048 300 F HN -0.044 nan 8.300 nan 0.000 0.551 301 D N -0.064 120.439 120.400 0.171 0.000 2.372 301 D HA 0.030 4.670 4.640 -0.000 0.000 0.243 301 D C 1.205 177.574 176.300 0.116 0.000 1.121 301 D CA 0.154 54.234 54.000 0.132 0.000 0.898 301 D CB 0.549 41.407 40.800 0.096 0.000 1.202 301 D HN -0.075 nan 8.370 nan 0.000 0.428 302 N N 1.104 119.867 118.700 0.104 0.000 2.550 302 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 302 N C 1.038 176.589 175.510 0.069 0.000 1.110 302 N CA 0.317 53.418 53.050 0.085 0.000 0.912 302 N CB 0.358 38.889 38.487 0.073 0.000 0.968 302 N HN 0.457 nan 8.380 nan 0.000 0.448 303 G N -1.205 107.638 108.800 0.070 0.000 3.805 303 G HA2 0.169 4.129 3.960 -0.000 0.000 0.290 303 G HA3 0.169 4.129 3.960 -0.000 0.000 0.290 303 G C 0.635 175.583 174.900 0.079 0.000 1.077 303 G CA -0.251 44.888 45.100 0.065 0.000 0.852 303 G HN 0.071 nan 8.290 nan 0.000 0.531 304 S N -0.491 115.266 115.700 0.095 0.000 2.632 304 S HA 0.134 4.603 4.470 -0.000 0.000 0.237 304 S C 0.765 175.481 174.600 0.194 0.000 1.037 304 S CA -0.107 58.173 58.200 0.134 0.000 1.009 304 S CB 0.845 64.097 63.200 0.086 0.000 0.974 304 S HN 0.401 nan 8.310 nan 0.000 0.544 305 V N 0.371 120.368 119.914 0.138 0.000 2.649 305 V HA 0.456 4.575 4.120 -0.000 0.000 0.292 305 V C 0.116 176.407 176.094 0.327 0.000 1.055 305 V CA -0.401 61.977 62.300 0.128 0.000 1.023 305 V CB -0.195 31.645 31.823 0.028 0.000 0.992 305 V HN 0.210 nan 8.190 nan 0.000 0.480 306 F N 3.268 123.186 119.950 -0.052 0.000 2.783 306 F HA 0.707 5.234 4.527 -0.001 0.000 0.338 306 F C 0.960 176.726 175.800 -0.057 0.000 1.178 306 F CA -0.200 57.782 58.000 -0.030 0.000 1.343 306 F CB -1.224 37.781 39.000 0.008 0.000 1.496 306 F HN 0.917 nan 8.300 nan 0.000 0.583 307 A N -0.178 122.708 122.820 0.110 0.000 2.540 307 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 307 A C -0.249 177.340 177.584 0.009 0.000 1.056 307 A CA -0.578 51.472 52.037 0.022 0.000 0.700 307 A CB 0.585 19.565 19.000 -0.033 0.000 1.280 307 A HN 0.239 nan 8.150 nan 0.000 0.398 308 A N 1.218 124.034 122.820 -0.006 0.000 3.052 308 A HA 0.483 4.803 4.320 -0.000 0.000 0.266 308 A C 0.594 178.166 177.584 -0.019 0.000 1.855 308 A CA 0.612 52.646 52.037 -0.005 0.000 1.473 308 A CB -1.946 17.050 19.000 -0.008 0.000 1.038 308 A HN 2.235 nan 8.150 nan 0.000 0.619 309 C N -2.311 116.978 119.300 -0.019 0.000 3.316 309 C HA 0.829 5.289 4.460 -0.000 0.000 0.360 309 C C -0.083 174.898 174.990 -0.015 0.000 1.560 309 C CA -0.551 58.448 59.018 -0.031 0.000 1.229 309 C CB 1.314 29.013 27.740 -0.067 0.000 1.823 309 C HN 0.324 nan 8.230 nan 0.000 0.440 310 S N 2.266 117.955 115.700 -0.018 0.000 2.252 310 S HA 0.381 4.851 4.470 -0.000 0.000 0.187 310 S C -1.656 172.940 174.600 -0.006 0.000 1.587 310 S CA -0.559 57.646 58.200 0.008 0.000 1.215 310 S CB 0.955 64.169 63.200 0.024 0.000 1.085 310 S HN 0.785 nan 8.310 nan 0.000 0.466 311 P HA -0.228 nan 4.420 nan 0.000 0.219 311 P C 1.321 178.621 177.300 -0.001 0.000 1.153 311 P CA 1.476 64.491 63.100 -0.143 0.000 0.865 311 P CB 0.000 31.613 31.700 -0.145 0.000 0.788 312 M N -0.631 119.071 119.600 0.170 0.000 2.374 312 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 312 M C 1.699 178.084 176.300 0.142 0.000 1.067 312 M CA 1.363 56.806 55.300 0.238 0.000 1.103 312 M CB -1.167 31.554 32.600 0.201 0.000 1.402 312 M HN 0.123 nan 8.290 nan 0.000 0.444 313 E N -0.418 119.827 120.200 0.076 0.000 2.479 313 E HA 0.155 4.505 4.350 -0.000 0.000 0.193 313 E C 1.148 177.772 176.600 0.040 0.000 1.049 313 E CA -0.125 56.307 56.400 0.053 0.000 0.870 313 E CB 0.362 30.082 29.700 0.032 0.000 0.944 313 E HN 0.430 nan 8.360 nan 0.000 0.492 314 G N 0.333 109.146 108.800 0.022 0.000 3.107 314 G HA2 0.449 4.409 3.960 -0.000 0.000 0.232 314 G HA3 0.449 4.409 3.960 -0.000 0.000 0.232 314 G C -0.422 174.503 174.900 0.043 0.000 1.339 314 G CA -0.643 44.457 45.100 -0.001 0.000 1.033 314 G HN -0.125 nan 8.290 nan 0.000 0.567 315 R N -0.891 119.626 120.500 0.028 0.000 2.664 315 R HA 0.459 4.799 4.340 -0.000 0.000 0.286 315 R C -1.602 174.724 176.300 0.043 0.000 0.967 315 R CA -0.722 55.447 56.100 0.114 0.000 0.933 315 R CB 1.497 31.877 30.300 0.135 0.000 1.146 315 R HN 0.326 nan 8.270 nan 0.000 0.468 316 F N 1.956 121.937 119.950 0.052 0.000 2.405 316 F HA 0.177 4.703 4.527 -0.000 0.000 0.355 316 F C 1.418 177.217 175.800 -0.001 0.000 1.121 316 F CA -0.541 57.492 58.000 0.055 0.000 1.112 316 F CB 0.901 39.953 39.000 0.087 0.000 1.126 316 F HN 0.256 nan 8.300 nan 0.000 0.481 317 L N 1.506 122.797 121.223 0.114 0.000 2.209 317 L HA 0.122 4.462 4.340 -0.000 0.000 0.207 317 L C 0.648 177.502 176.870 -0.026 0.000 1.094 317 L CA 0.849 55.671 54.840 -0.031 0.000 0.790 317 L CB -0.494 41.573 42.059 0.013 0.000 0.932 317 L HN 0.565 nan 8.230 nan 0.000 0.447 318 S N -2.116 113.641 115.700 0.095 0.000 2.583 318 S HA 0.473 4.943 4.470 -0.000 0.000 0.294 318 S C -0.571 174.115 174.600 0.144 0.000 1.121 318 S CA -0.617 57.633 58.200 0.084 0.000 0.910 318 S CB 0.866 64.076 63.200 0.017 0.000 1.102 318 S HN 0.049 nan 8.310 nan 0.000 0.451 319 T N 2.883 117.514 114.554 0.129 0.000 2.940 319 T HA 0.934 5.284 4.350 -0.000 0.000 0.288 319 T C -0.660 173.902 174.700 -0.231 0.000 1.045 319 T CA -0.415 61.715 62.100 0.050 0.000 1.018 319 T CB 1.670 70.641 68.868 0.170 0.000 1.151 319 T HN 1.365 nan 8.240 nan 0.000 0.529 320 A N 1.337 123.968 122.820 -0.315 0.000 2.509 320 A HA 0.611 4.931 4.320 -0.000 0.000 0.282 320 A C -1.221 176.112 177.584 -0.418 0.000 1.054 320 A CA -0.556 51.243 52.037 -0.397 0.000 0.820 320 A CB 0.871 19.729 19.000 -0.237 0.000 1.333 320 A HN 0.599 nan 8.150 nan 0.000 0.409 321 V N 3.436 123.011 119.914 -0.565 0.000 2.398 321 V HA 0.524 4.644 4.120 -0.000 0.000 0.286 321 V C -0.314 175.413 176.094 -0.613 0.000 1.026 321 V CA -0.281 61.689 62.300 -0.549 0.000 0.868 321 V CB 1.373 32.853 31.823 -0.572 0.000 0.982 321 V HN 0.723 nan 8.190 nan 0.000 0.443 322 L N 6.147 127.062 121.223 -0.513 0.000 2.353 322 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 322 L C -0.854 175.816 176.870 -0.332 0.000 1.003 322 L CA -0.409 54.187 54.840 -0.405 0.000 0.862 322 L CB 0.853 42.782 42.059 -0.216 0.000 1.221 322 L HN 0.552 nan 8.230 nan 0.000 0.430 323 Y N 2.345 122.529 120.300 -0.194 0.000 2.334 323 Y HA 0.705 5.254 4.550 -0.000 0.000 0.325 323 Y C 0.506 176.377 175.900 -0.047 0.000 1.308 323 Y CA -0.798 57.240 58.100 -0.102 0.000 1.389 323 Y CB 1.109 39.546 38.460 -0.039 0.000 1.328 323 Y HN 0.504 nan 8.280 nan 0.000 0.532 324 R N -0.527 120.087 120.500 0.190 0.000 2.633 324 R HA 0.543 4.882 4.340 -0.000 0.000 0.255 324 R C -0.155 176.194 176.300 0.082 0.000 1.106 324 R CA -0.204 55.955 56.100 0.098 0.000 0.959 324 R CB 1.226 31.561 30.300 0.058 0.000 1.259 324 R HN 0.926 nan 8.270 nan 0.000 0.453 325 G N 2.255 111.089 108.800 0.056 0.000 2.313 325 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 325 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 325 G C -0.031 174.910 174.900 0.068 0.000 1.023 325 G CA -0.009 45.118 45.100 0.044 0.000 0.626 325 G HN 0.470 nan 8.290 nan 0.000 0.503 326 I N 1.920 122.546 120.570 0.094 0.000 2.517 326 I HA 0.494 4.663 4.170 -0.000 0.000 0.285 326 I C 0.965 177.219 176.117 0.229 0.000 1.106 326 I CA 0.892 62.243 61.300 0.086 0.000 1.402 326 I CB 0.914 38.904 38.000 -0.017 0.000 1.399 326 I HN 0.563 nan 8.210 nan 0.000 0.535 327 M N 5.183 124.870 119.600 0.145 0.000 1.981 327 M HA 0.014 4.494 4.480 -0.000 0.000 0.172 327 M C 1.656 177.891 176.300 -0.108 0.000 1.931 327 M CA -0.170 55.213 55.300 0.139 0.000 0.949 327 M CB 0.038 32.735 32.600 0.163 0.000 1.541 327 M HN 0.506 nan 8.290 nan 0.000 0.625 328 E N 1.384 121.532 120.200 -0.087 0.000 2.049 328 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 328 E C 0.727 177.266 176.600 -0.100 0.000 1.007 328 E CA 2.433 58.767 56.400 -0.109 0.000 0.809 328 E CB -1.352 28.306 29.700 -0.070 0.000 0.749 328 E HN 0.774 nan 8.360 nan 0.000 0.450 329 D N 1.099 121.457 120.400 -0.070 0.000 2.390 329 D HA -0.100 4.540 4.640 -0.000 0.000 0.235 329 D C 1.663 177.913 176.300 -0.082 0.000 1.040 329 D CA 0.711 54.671 54.000 -0.068 0.000 0.923 329 D CB -0.300 40.468 40.800 -0.054 0.000 0.886 329 D HN 0.380 nan 8.370 nan 0.000 0.532 330 K N 1.019 121.357 120.400 -0.103 0.000 2.034 330 K HA -0.185 4.134 4.320 -0.000 0.000 0.214 330 K C -0.785 175.773 176.600 -0.070 0.000 1.051 330 K CA 1.531 57.753 56.287 -0.109 0.000 0.931 330 K CB -0.738 31.634 32.500 -0.213 0.000 0.715 330 K HN 0.109 nan 8.250 nan 0.000 0.446 331 P HA -0.237 nan 4.420 nan 0.000 0.214 331 P C 1.394 178.682 177.300 -0.020 0.000 1.172 331 P CA 1.470 64.545 63.100 -0.042 0.000 0.925 331 P CB -0.123 31.546 31.700 -0.052 0.000 0.793 332 L N -0.662 120.543 121.223 -0.031 0.000 2.043 332 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 332 L C 2.188 179.051 176.870 -0.012 0.000 1.075 332 L CA 2.419 57.247 54.840 -0.021 0.000 0.752 332 L CB -1.605 40.437 42.059 -0.028 0.000 0.891 332 L HN -0.081 nan 8.230 nan 0.000 0.432 333 A N -0.489 122.306 122.820 -0.041 0.000 1.865 333 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 333 A C 1.996 179.613 177.584 0.055 0.000 1.191 333 A CA 1.997 53.993 52.037 -0.068 0.000 0.623 333 A CB -0.992 17.837 19.000 -0.284 0.000 0.826 333 A HN 0.618 nan 8.150 nan 0.000 0.444 334 D N 0.311 120.774 120.400 0.103 0.000 2.097 334 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 334 D C 2.246 178.618 176.300 0.120 0.000 0.989 334 D CA 1.553 55.669 54.000 0.193 0.000 0.827 334 D CB -0.706 40.206 40.800 0.187 0.000 0.966 334 D HN 0.439 nan 8.370 nan 0.000 0.456 335 A N 1.532 124.389 122.820 0.063 0.000 1.903 335 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 335 A C 2.374 179.973 177.584 0.026 0.000 1.191 335 A CA 2.886 54.941 52.037 0.030 0.000 0.638 335 A CB -0.851 18.155 19.000 0.011 0.000 0.823 335 A HN 0.289 nan 8.150 nan 0.000 0.451 336 A N -0.650 122.196 122.820 0.043 0.000 1.841 336 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 336 A C 2.210 179.823 177.584 0.049 0.000 1.195 336 A CA 1.412 53.474 52.037 0.042 0.000 0.611 336 A CB -0.779 18.257 19.000 0.060 0.000 0.835 336 A HN 0.514 nan 8.150 nan 0.000 0.443 337 L N -0.602 120.699 121.223 0.130 0.000 2.081 337 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 337 L C 2.909 179.776 176.870 -0.004 0.000 1.080 337 L CA 1.643 56.575 54.840 0.153 0.000 0.754 337 L CB -0.584 41.684 42.059 0.350 0.000 0.893 337 L HN 0.484 nan 8.230 nan 0.000 0.433 338 A N -0.238 122.585 122.820 0.005 0.000 1.883 338 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 338 A C 2.465 179.961 177.584 -0.147 0.000 1.186 338 A CA 1.984 53.972 52.037 -0.083 0.000 0.624 338 A CB -0.827 18.157 19.000 -0.026 0.000 0.822 338 A HN 0.550 nan 8.150 nan 0.000 0.444 339 A N -1.133 121.626 122.820 -0.101 0.000 1.877 339 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 339 A C 2.221 179.697 177.584 -0.179 0.000 1.186 339 A CA 2.057 54.026 52.037 -0.114 0.000 0.620 339 A CB -0.538 18.420 19.000 -0.070 0.000 0.822 339 A HN 0.429 nan 8.150 nan 0.000 0.443 340 M N -0.807 118.670 119.600 -0.205 0.000 2.073 340 M HA -0.166 4.314 4.480 -0.000 0.000 0.258 340 M C 2.197 178.206 176.300 -0.485 0.000 1.070 340 M CA 1.535 56.627 55.300 -0.346 0.000 1.103 340 M CB -1.137 31.216 32.600 -0.411 0.000 1.321 340 M HN 0.390 nan 8.290 nan 0.000 0.405 341 R N 0.236 120.420 120.500 -0.526 0.000 2.204 341 R HA -0.193 4.147 4.340 -0.000 0.000 0.253 341 R C 1.778 177.807 176.300 -0.451 0.000 1.172 341 R CA 1.266 56.974 56.100 -0.654 0.000 0.994 341 R CB -0.257 29.559 30.300 -0.806 0.000 0.874 341 R HN 0.471 nan 8.270 nan 0.000 0.462 342 E N 0.248 120.256 120.200 -0.320 0.000 2.072 342 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 342 E C 1.721 178.203 176.600 -0.197 0.000 0.982 342 E CA 0.976 57.243 56.400 -0.222 0.000 0.803 342 E CB -0.043 29.562 29.700 -0.159 0.000 0.755 342 E HN 0.369 nan 8.360 nan 0.000 0.453 343 K N 0.538 120.809 120.400 -0.215 0.000 2.504 343 K HA 0.055 4.375 4.320 -0.000 0.000 0.195 343 K C 0.732 177.227 176.600 -0.175 0.000 1.036 343 K CA 0.151 56.339 56.287 -0.166 0.000 0.984 343 K CB 0.023 32.431 32.500 -0.153 0.000 0.788 343 K HN 0.050 nan 8.250 nan 0.000 0.488 344 L N 2.715 123.771 121.223 -0.279 0.000 2.367 344 L HA 0.167 4.506 4.340 -0.000 0.000 0.275 344 L C -2.272 174.534 176.870 -0.108 0.000 1.129 344 L CA -2.153 52.512 54.840 -0.292 0.000 0.839 344 L CB 0.266 41.979 42.059 -0.577 0.000 1.133 344 L HN -0.240 nan 8.230 nan 0.000 0.453 345 P HA 0.285 nan 4.420 nan 0.000 0.281 345 P C -0.760 176.661 177.300 0.201 0.000 1.286 345 P CA 0.077 63.268 63.100 0.152 0.000 0.772 345 P CB 0.624 32.460 31.700 0.228 0.000 0.862 346 L N 1.681 122.966 121.223 0.103 0.000 2.260 346 L HA 0.677 5.017 4.340 -0.000 0.000 0.265 346 L C 0.971 177.879 176.870 0.064 0.000 1.015 346 L CA -0.921 53.967 54.840 0.080 0.000 0.826 346 L CB 1.443 43.506 42.059 0.007 0.000 1.373 346 L HN 0.220 nan 8.230 nan 0.000 0.450 347 T N -3.504 111.036 114.554 -0.025 0.000 2.884 347 T HA 0.236 4.586 4.350 -0.000 0.000 0.277 347 T C 0.452 175.161 174.700 0.015 0.000 0.976 347 T CA -0.296 61.799 62.100 -0.008 0.000 0.956 347 T CB 0.931 69.628 68.868 -0.285 0.000 1.113 347 T HN 0.649 nan 8.240 nan 0.000 0.554 348 Y N -0.471 119.889 120.300 0.100 0.000 2.436 348 Y HA 0.208 4.758 4.550 -0.001 0.000 0.288 348 Y C 1.864 177.837 175.900 0.122 0.000 1.112 348 Y CA -0.069 58.098 58.100 0.111 0.000 1.220 348 Y CB -0.233 38.324 38.460 0.161 0.000 1.073 348 Y HN 0.749 nan 8.280 nan 0.000 0.552 349 W N 0.979 121.775 121.300 -0.840 0.000 3.180 349 W HA 0.357 5.017 4.660 -0.000 0.000 0.254 349 W C -0.390 175.966 176.519 -0.272 0.000 1.318 349 W CA -0.172 56.738 57.345 -0.724 0.000 1.608 349 W CB -0.622 28.339 29.460 -0.833 0.000 1.124 349 W HN 0.117 nan 8.180 nan 0.000 0.694 350 I N 1.968 122.140 120.570 -0.663 0.000 2.931 350 I HA 0.128 4.298 4.170 -0.000 0.000 0.322 350 I C -1.571 174.379 176.117 -0.277 0.000 1.446 350 I CA -1.613 59.389 61.300 -0.496 0.000 0.825 350 I CB 0.859 38.416 38.000 -0.738 0.000 2.195 350 I HN -0.402 nan 8.210 nan 0.000 0.608 351 P HA -0.195 nan 4.420 nan 0.000 0.217 351 P C 0.727 177.992 177.300 -0.059 0.000 1.158 351 P CA 1.683 64.742 63.100 -0.067 0.000 0.887 351 P CB 0.139 31.828 31.700 -0.019 0.000 0.792 352 T N -2.563 111.960 114.554 -0.052 0.000 2.921 352 T HA 0.714 5.063 4.350 -0.000 0.000 0.297 352 T C -1.644 173.053 174.700 -0.006 0.000 1.013 352 T CA -0.448 61.640 62.100 -0.021 0.000 0.990 352 T CB 1.075 69.939 68.868 -0.008 0.000 1.023 352 T HN 0.032 nan 8.240 nan 0.000 0.447 353 A N 4.202 127.047 122.820 0.042 0.000 2.601 353 A HA 0.542 4.862 4.320 -0.000 0.000 0.292 353 A C -1.258 176.417 177.584 0.152 0.000 1.284 353 A CA -0.597 51.471 52.037 0.053 0.000 0.893 353 A CB -0.215 18.780 19.000 -0.007 0.000 1.440 353 A HN 0.857 nan 8.150 nan 0.000 0.510 354 F N 2.018 121.947 119.950 -0.035 0.000 2.824 354 F HA 0.562 5.089 4.527 -0.001 0.000 0.375 354 F C -0.025 175.755 175.800 -0.033 0.000 1.190 354 F CA -0.599 57.380 58.000 -0.035 0.000 1.180 354 F CB 1.034 40.005 39.000 -0.047 0.000 1.477 354 F HN 0.351 nan 8.300 nan 0.000 0.542 355 K N 4.709 124.947 120.400 -0.270 0.000 2.326 355 K HA 0.587 4.907 4.320 -0.000 0.000 0.275 355 K C -1.092 175.274 176.600 -0.389 0.000 1.018 355 K CA 0.152 56.299 56.287 -0.233 0.000 0.962 355 K CB 0.503 32.894 32.500 -0.182 0.000 0.953 355 K HN 0.625 nan 8.250 nan 0.000 0.475 356 I N 2.709 123.134 120.570 -0.242 0.000 2.534 356 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 356 I C -0.159 175.773 176.117 -0.308 0.000 1.077 356 I CA -0.995 60.108 61.300 -0.330 0.000 1.051 356 I CB 2.436 40.333 38.000 -0.172 0.000 1.234 356 I HN 0.704 nan 8.210 nan 0.000 0.425 357 G N 4.910 113.442 108.800 -0.447 0.000 2.591 357 G HA2 0.722 4.681 3.960 -0.000 0.000 0.306 357 G HA3 0.722 4.681 3.960 -0.000 0.000 0.306 357 G C -1.835 172.838 174.900 -0.379 0.000 1.334 357 G CA -0.340 44.579 45.100 -0.301 0.000 0.981 357 G HN 0.370 nan 8.290 nan 0.000 0.491 358 Y N 0.163 120.456 120.300 -0.011 0.000 2.468 358 Y HA 0.667 5.216 4.550 -0.000 0.000 0.342 358 Y C -0.047 175.677 175.900 -0.294 0.000 1.021 358 Y CA -1.102 56.950 58.100 -0.081 0.000 1.079 358 Y CB 2.816 41.206 38.460 -0.118 0.000 1.226 358 Y HN 0.344 nan 8.280 nan 0.000 0.460 359 V N 2.462 122.320 119.914 -0.093 0.000 2.569 359 V HA 0.153 4.273 4.120 -0.000 0.000 0.301 359 V C 0.631 176.628 176.094 -0.162 0.000 1.044 359 V CA -0.876 61.334 62.300 -0.150 0.000 0.874 359 V CB 1.795 33.613 31.823 -0.009 0.000 1.002 359 V HN 0.997 nan 8.190 nan 0.000 0.424 360 E N 3.016 123.084 120.200 -0.221 0.000 2.031 360 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 360 E C 0.724 177.258 176.600 -0.110 0.000 0.994 360 E CA 0.889 57.248 56.400 -0.068 0.000 0.800 360 E CB 0.217 29.936 29.700 0.030 0.000 0.752 360 E HN 0.641 nan 8.360 nan 0.000 0.447 361 Q N 2.248 121.898 119.800 -0.249 0.000 2.274 361 Q HA 0.089 4.429 4.340 -0.000 0.000 0.280 361 Q C -2.033 173.763 176.000 -0.340 0.000 1.047 361 Q CA -1.023 54.506 55.803 -0.457 0.000 0.907 361 Q CB 1.195 29.236 28.738 -1.161 0.000 1.171 361 Q HN 0.333 nan 8.270 nan 0.000 0.381 362 P HA 0.272 nan 4.420 nan 0.000 0.287 362 P C -0.150 177.081 177.300 -0.114 0.000 1.296 362 P CA -0.411 62.626 63.100 -0.106 0.000 0.811 362 P CB 0.915 32.588 31.700 -0.046 0.000 1.211 363 G N -0.283 108.511 108.800 -0.010 0.000 2.508 363 G HA2 0.312 4.271 3.960 -0.000 0.000 0.278 363 G HA3 0.312 4.271 3.960 -0.000 0.000 0.278 363 G C 0.795 175.676 174.900 -0.032 0.000 1.389 363 G CA -0.462 44.639 45.100 0.001 0.000 1.050 363 G HN 0.541 nan 8.290 nan 0.000 0.522 364 I N -2.874 117.675 120.570 -0.035 0.000 3.578 364 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 364 I C 1.817 177.883 176.117 -0.085 0.000 1.280 364 I CA 0.864 62.132 61.300 -0.053 0.000 1.347 364 I CB 0.703 38.678 38.000 -0.042 0.000 1.051 364 I HN 0.154 nan 8.210 nan 0.000 0.460 365 S N -0.487 115.141 115.700 -0.119 0.000 2.444 365 S HA 0.245 4.715 4.470 -0.000 0.000 0.223 365 S C 0.410 174.741 174.600 -0.448 0.000 1.054 365 S CA 0.389 58.402 58.200 -0.311 0.000 0.947 365 S CB -0.184 62.782 63.200 -0.390 0.000 0.850 365 S HN 0.468 nan 8.310 nan 0.000 0.527 366 H N 0.207 119.327 119.070 0.085 0.000 2.538 366 H HA 0.418 4.974 4.556 -0.001 0.000 0.353 366 H C 0.409 175.757 175.328 0.032 0.000 1.109 366 H CA -0.545 55.542 56.048 0.065 0.000 1.192 366 H CB 1.277 31.097 29.762 0.096 0.000 1.555 366 H HN 0.034 nan 8.280 nan 0.000 0.518 367 R N 0.958 121.540 120.500 0.137 0.000 2.152 367 R HA -0.028 4.311 4.340 -0.000 0.000 0.232 367 R C -0.274 176.063 176.300 0.063 0.000 1.117 367 R CA 1.254 57.392 56.100 0.064 0.000 0.981 367 R CB 0.348 30.673 30.300 0.042 0.000 0.870 367 R HN 0.465 nan 8.270 nan 0.000 0.451 368 K N -0.315 120.137 120.400 0.086 0.000 2.535 368 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 368 K C -1.256 175.362 176.600 0.030 0.000 0.942 368 K CA -0.487 55.830 56.287 0.050 0.000 0.798 368 K CB 2.383 34.893 32.500 0.017 0.000 1.267 368 K HN 0.010 nan 8.250 nan 0.000 0.434 369 S N 1.878 117.587 115.700 0.016 0.000 2.672 369 S HA 0.784 5.254 4.470 -0.000 0.000 0.271 369 S C -1.131 173.414 174.600 -0.092 0.000 1.171 369 S CA -1.125 57.010 58.200 -0.108 0.000 0.817 369 S CB 1.601 64.781 63.200 -0.033 0.000 1.150 369 S HN 0.642 nan 8.310 nan 0.000 0.478 370 M N -0.468 118.957 119.600 -0.292 0.000 2.523 370 M HA 0.695 5.174 4.480 -0.000 0.000 0.287 370 M C -2.263 173.858 176.300 -0.300 0.000 1.160 370 M CA -0.831 54.356 55.300 -0.189 0.000 0.902 370 M CB 1.460 34.031 32.600 -0.048 0.000 1.752 370 M HN 0.473 nan 8.290 nan 0.000 0.504 371 V N 2.682 122.479 119.914 -0.194 0.000 2.540 371 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 371 V C -1.044 174.906 176.094 -0.239 0.000 1.035 371 V CA -0.706 61.507 62.300 -0.145 0.000 0.873 371 V CB 2.057 33.873 31.823 -0.010 0.000 0.992 371 V HN 0.774 nan 8.190 nan 0.000 0.428 372 L N 5.998 127.058 121.223 -0.272 0.000 2.282 372 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 372 L C -0.848 175.876 176.870 -0.242 0.000 1.033 372 L CA 0.043 54.696 54.840 -0.313 0.000 0.807 372 L CB 1.015 42.807 42.059 -0.445 0.000 1.209 372 L HN 0.625 nan 8.230 nan 0.000 0.423 373 L N 5.723 126.826 121.223 -0.200 0.000 2.316 373 L HA 0.817 5.157 4.340 -0.000 0.000 0.280 373 L C -0.710 176.103 176.870 -0.095 0.000 1.006 373 L CA -0.385 54.362 54.840 -0.155 0.000 0.836 373 L CB 1.315 43.289 42.059 -0.141 0.000 1.221 373 L HN 0.889 nan 8.230 nan 0.000 0.418 374 A N 3.372 126.156 122.820 -0.060 0.000 2.414 374 A HA 0.522 4.842 4.320 -0.000 0.000 0.306 374 A C -1.009 176.573 177.584 -0.003 0.000 1.054 374 A CA -0.679 51.381 52.037 0.039 0.000 0.724 374 A CB 1.558 20.672 19.000 0.189 0.000 1.267 374 A HN 0.598 nan 8.150 nan 0.000 0.418 375 N N 1.755 120.483 118.700 0.046 0.000 2.678 375 N HA 0.195 4.935 4.740 -0.000 0.000 0.231 375 N C -0.891 174.631 175.510 0.020 0.000 1.038 375 N CA -0.071 53.016 53.050 0.061 0.000 0.932 375 N CB 0.258 38.814 38.487 0.114 0.000 1.176 375 N HN 0.786 nan 8.380 nan 0.000 0.511 376 N N 0.146 118.771 118.700 -0.126 0.000 2.384 376 N HA 0.244 4.984 4.740 -0.000 0.000 0.301 376 N C 1.320 176.713 175.510 -0.195 0.000 1.133 376 N CA -0.528 52.349 53.050 -0.289 0.000 0.853 376 N CB 1.216 39.336 38.487 -0.612 0.000 1.241 376 N HN 0.290 nan 8.380 nan 0.000 0.502 377 T N -1.163 113.323 114.554 -0.113 0.000 2.995 377 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 377 T C 0.963 175.570 174.700 -0.156 0.000 1.091 377 T CA 0.762 62.836 62.100 -0.044 0.000 1.128 377 T CB -0.128 68.800 68.868 0.100 0.000 0.891 377 T HN 0.461 nan 8.240 nan 0.000 0.492 378 E N 0.784 120.880 120.200 -0.173 0.000 2.510 378 E HA 0.004 4.353 4.350 -0.000 0.000 0.202 378 E C 1.666 178.149 176.600 -0.194 0.000 1.072 378 E CA 0.127 56.438 56.400 -0.149 0.000 0.883 378 E CB -0.360 29.264 29.700 -0.127 0.000 0.818 378 E HN 0.518 nan 8.360 nan 0.000 0.548 379 I N 0.544 120.936 120.570 -0.296 0.000 2.676 379 I HA -0.128 4.042 4.170 -0.000 0.000 0.259 379 I C 1.956 177.869 176.117 -0.340 0.000 1.194 379 I CA 0.738 61.835 61.300 -0.338 0.000 1.473 379 I CB -0.206 37.514 38.000 -0.467 0.000 1.096 379 I HN -0.038 nan 8.210 nan 0.000 0.443 380 A N 0.271 122.898 122.820 -0.321 0.000 1.972 380 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 380 A C 2.491 179.995 177.584 -0.134 0.000 1.169 380 A CA 1.698 53.620 52.037 -0.193 0.000 0.635 380 A CB -0.632 18.328 19.000 -0.066 0.000 0.810 380 A HN 0.466 nan 8.150 nan 0.000 0.446 381 R N -0.562 119.865 120.500 -0.122 0.000 2.075 381 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 381 R C 1.894 178.138 176.300 -0.093 0.000 1.126 381 R CA 1.647 57.694 56.100 -0.088 0.000 0.963 381 R CB -0.452 29.805 30.300 -0.072 0.000 0.858 381 R HN 0.257 nan 8.270 nan 0.000 0.435 382 V N 1.199 121.042 119.914 -0.118 0.000 2.295 382 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 382 V C 2.293 178.313 176.094 -0.123 0.000 1.049 382 V CA 1.844 64.078 62.300 -0.111 0.000 1.024 382 V CB -0.423 31.324 31.823 -0.128 0.000 0.648 382 V HN 0.364 nan 8.190 nan 0.000 0.447 383 L N -0.276 120.843 121.223 -0.172 0.000 2.127 383 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 383 L C 2.388 179.184 176.870 -0.123 0.000 1.089 383 L CA 1.618 56.346 54.840 -0.188 0.000 0.757 383 L CB -0.740 41.168 42.059 -0.252 0.000 0.899 383 L HN 0.399 nan 8.230 nan 0.000 0.434 384 D N 0.349 120.693 120.400 -0.093 0.000 2.077 384 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 384 D C 2.233 178.525 176.300 -0.013 0.000 0.986 384 D CA 1.041 55.008 54.000 -0.055 0.000 0.829 384 D CB -0.027 40.739 40.800 -0.057 0.000 0.983 384 D HN 0.100 nan 8.370 nan 0.000 0.453 385 R N 0.338 120.830 120.500 -0.014 0.000 2.140 385 R HA -0.198 4.141 4.340 -0.000 0.000 0.250 385 R C 2.227 178.554 176.300 0.046 0.000 1.150 385 R CA 1.366 57.486 56.100 0.033 0.000 0.966 385 R CB -0.268 30.033 30.300 0.000 0.000 0.869 385 R HN 0.196 nan 8.270 nan 0.000 0.445 386 I N 0.773 121.336 120.570 -0.011 0.000 2.090 386 I HA -0.320 3.850 4.170 -0.000 0.000 0.236 386 I C 2.673 178.811 176.117 0.034 0.000 1.064 386 I CA 1.106 62.394 61.300 -0.020 0.000 1.324 386 I CB -1.687 36.263 38.000 -0.083 0.000 1.044 386 I HN 0.354 nan 8.210 nan 0.000 0.399 387 C N 0.069 119.373 119.300 0.006 0.000 2.391 387 C HA -0.246 4.214 4.460 -0.000 0.000 0.276 387 C C 2.783 177.891 174.990 0.196 0.000 1.217 387 C CA 1.184 60.228 59.018 0.043 0.000 1.766 387 C CB -1.728 25.999 27.740 -0.021 0.000 2.046 387 C HN 0.555 nan 8.230 nan 0.000 0.475 388 H N 1.099 120.198 119.070 0.049 0.000 2.274 388 H HA -0.176 4.380 4.556 -0.001 0.000 0.296 388 H C 2.033 177.412 175.328 0.086 0.000 1.061 388 H CA 2.150 58.234 56.048 0.060 0.000 1.226 388 H CB -0.246 29.529 29.762 0.022 0.000 1.370 388 H HN 0.397 nan 8.280 nan 0.000 0.507 389 N N 0.216 118.919 118.700 0.004 0.000 2.133 389 N HA -0.213 4.527 4.740 -0.000 0.000 0.193 389 N C 1.686 177.190 175.510 -0.012 0.000 1.012 389 N CA 1.470 54.455 53.050 -0.107 0.000 0.871 389 N CB -0.651 37.788 38.487 -0.081 0.000 1.011 389 N HN 0.350 nan 8.380 nan 0.000 0.435 390 F N 1.617 121.545 119.950 -0.037 0.000 2.095 390 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 390 F C 1.638 177.526 175.800 0.147 0.000 1.104 390 F CA 1.517 59.536 58.000 0.031 0.000 1.232 390 F CB -0.172 38.819 39.000 -0.015 0.000 0.987 390 F HN -0.033 nan 8.300 nan 0.000 0.475 391 D N 0.380 120.954 120.400 0.290 0.000 2.117 391 D HA -0.161 4.478 4.640 -0.000 0.000 0.198 391 D C 2.161 178.518 176.300 0.095 0.000 0.982 391 D CA 1.277 55.423 54.000 0.243 0.000 0.828 391 D CB -0.469 40.496 40.800 0.274 0.000 0.967 391 D HN 0.315 nan 8.370 nan 0.000 0.464 392 K N 0.082 120.475 120.400 -0.013 0.000 2.160 392 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 392 K C 2.126 178.704 176.600 -0.037 0.000 1.047 392 K CA 0.711 56.958 56.287 -0.067 0.000 0.930 392 K CB -0.035 32.362 32.500 -0.172 0.000 0.720 392 K HN 0.189 nan 8.250 nan 0.000 0.450 393 L N -0.917 120.277 121.223 -0.048 0.000 2.121 393 L HA -0.077 4.262 4.340 -0.000 0.000 0.200 393 L C 2.337 179.287 176.870 0.133 0.000 1.077 393 L CA 0.606 55.437 54.840 -0.016 0.000 0.766 393 L CB -0.475 41.433 42.059 -0.252 0.000 0.931 393 L HN 0.427 nan 8.230 nan 0.000 0.452 394 W N 1.344 122.588 121.300 -0.093 0.000 2.364 394 W HA -0.267 4.393 4.660 -0.001 0.000 0.281 394 W C 2.278 178.778 176.519 -0.032 0.000 1.219 394 W CA 1.543 58.824 57.345 -0.107 0.000 1.220 394 W CB 0.059 29.315 29.460 -0.341 0.000 1.127 394 W HN 0.394 nan 8.180 nan 0.000 0.556 395 Q N 0.445 120.255 119.800 0.017 0.000 2.061 395 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 395 Q C 1.998 177.910 176.000 -0.147 0.000 0.984 395 Q CA 1.622 57.392 55.803 -0.054 0.000 0.846 395 Q CB -0.163 28.584 28.738 0.016 0.000 0.902 395 Q HN 0.003 nan 8.270 nan 0.000 0.421 396 R N -0.210 120.223 120.500 -0.111 0.000 2.317 396 R HA 0.054 4.393 4.340 -0.000 0.000 0.208 396 R C -0.219 175.978 176.300 -0.172 0.000 0.914 396 R CA 0.177 56.204 56.100 -0.121 0.000 1.060 396 R CB 0.413 30.674 30.300 -0.065 0.000 1.015 396 R HN 0.062 nan 8.270 nan 0.000 0.498 397 K N -1.036 119.207 120.400 -0.261 0.000 3.069 397 K HA -0.202 4.117 4.320 -0.000 0.000 0.267 397 K C -0.767 175.804 176.600 -0.049 0.000 1.082 397 K CA 0.827 56.922 56.287 -0.320 0.000 0.782 397 K CB -1.935 30.300 32.500 -0.442 0.000 1.230 397 K HN 0.377 nan 8.250 nan 0.000 0.488 398 A N 0.106 122.974 122.820 0.080 0.000 2.524 398 A HA 0.378 4.698 4.320 -0.000 0.000 0.250 398 A C 0.871 178.733 177.584 0.463 0.000 1.078 398 A CA 0.674 52.786 52.037 0.125 0.000 0.761 398 A CB -0.539 18.619 19.000 0.263 0.000 1.012 398 A HN 0.561 nan 8.150 nan 0.000 0.500 399 F N -0.221 119.853 119.950 0.207 0.000 2.890 399 F HA -0.399 4.128 4.527 -0.001 0.000 0.346 399 F C 1.971 178.079 175.800 0.513 0.000 0.660 399 F CA 1.055 59.286 58.000 0.384 0.000 1.091 399 F CB -1.926 37.409 39.000 0.559 0.000 1.535 399 F HN 0.713 nan 8.300 nan 0.000 0.314 400 A N 1.139 124.290 122.820 0.551 0.000 1.903 400 A HA -0.347 3.972 4.320 -0.000 0.000 0.219 400 A C 1.939 179.788 177.584 0.441 0.000 1.191 400 A CA 2.691 55.045 52.037 0.527 0.000 0.638 400 A CB -1.097 18.097 19.000 0.324 0.000 0.823 400 A HN 0.765 nan 8.150 nan 0.000 0.451 401 N N -1.331 117.463 118.700 0.157 0.000 2.096 401 N HA -0.291 4.449 4.740 -0.000 0.000 0.195 401 N C 1.534 177.108 175.510 0.107 0.000 1.017 401 N CA 2.089 55.142 53.050 0.005 0.000 0.870 401 N CB -0.901 37.421 38.487 -0.276 0.000 1.024 401 N HN 0.770 nan 8.380 nan 0.000 0.434 402 W N -0.688 120.800 121.300 0.314 0.000 2.338 402 W HA -0.125 4.535 4.660 -0.001 0.000 0.304 402 W C 1.553 178.166 176.519 0.157 0.000 1.212 402 W CA 0.551 58.019 57.345 0.205 0.000 1.264 402 W CB -0.385 29.188 29.460 0.189 0.000 1.142 402 W HN 0.101 nan 8.180 nan 0.000 0.512 403 Y N -1.061 119.525 120.300 0.477 0.000 2.314 403 Y HA -0.119 4.430 4.550 -0.001 0.000 0.294 403 Y C 2.329 178.379 175.900 0.250 0.000 1.119 403 Y CA 0.484 58.807 58.100 0.372 0.000 1.179 403 Y CB -1.098 37.617 38.460 0.424 0.000 1.025 403 Y HN -0.201 nan 8.280 nan 0.000 0.541 404 L N 0.396 121.856 121.223 0.396 0.000 1.994 404 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 404 L C 1.057 178.033 176.870 0.177 0.000 1.071 404 L CA 1.813 56.800 54.840 0.244 0.000 0.745 404 L CB -1.499 40.677 42.059 0.195 0.000 0.892 404 L HN 0.330 nan 8.230 nan 0.000 0.431 405 N N -0.179 118.619 118.700 0.163 0.000 2.471 405 N HA -0.112 4.628 4.740 -0.000 0.000 0.205 405 N C 0.647 176.241 175.510 0.139 0.000 1.251 405 N CA -0.043 53.080 53.050 0.121 0.000 0.843 405 N CB 0.206 38.744 38.487 0.085 0.000 1.044 405 N HN 0.217 nan 8.380 nan 0.000 0.461 406 E N -0.900 119.394 120.200 0.156 0.000 2.715 406 E HA 0.181 4.531 4.350 -0.000 0.000 0.224 406 E C 0.772 177.435 176.600 0.104 0.000 0.962 406 E CA 0.009 56.486 56.400 0.128 0.000 1.145 406 E CB 0.430 30.213 29.700 0.137 0.000 1.083 406 E HN 0.232 nan 8.360 nan 0.000 0.506 407 G N 0.024 108.888 108.800 0.107 0.000 3.288 407 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.195 407 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.195 407 G C 0.374 175.329 174.900 0.093 0.000 1.093 407 G CA -0.046 45.103 45.100 0.082 0.000 0.852 407 G HN 0.127 nan 8.290 nan 0.000 0.453 408 M N 1.545 121.222 119.600 0.129 0.000 2.036 408 M HA 0.556 5.036 4.480 -0.000 0.000 0.276 408 M C 0.957 177.317 176.300 0.100 0.000 1.262 408 M CA 0.611 55.971 55.300 0.100 0.000 1.097 408 M CB 1.181 33.834 32.600 0.089 0.000 1.386 408 M HN 0.619 nan 8.290 nan 0.000 0.482 409 S N -1.445 114.299 115.700 0.074 0.000 2.661 409 S HA 0.371 4.840 4.470 -0.000 0.000 0.285 409 S C 0.112 174.790 174.600 0.130 0.000 1.138 409 S CA -0.953 57.306 58.200 0.099 0.000 0.855 409 S CB 1.668 64.910 63.200 0.071 0.000 1.136 409 S HN 0.722 nan 8.310 nan 0.000 0.484 410 E N 0.734 121.050 120.200 0.194 0.000 2.047 410 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 410 E C 1.764 178.486 176.600 0.203 0.000 0.987 410 E CA 1.387 57.980 56.400 0.322 0.000 0.799 410 E CB -0.148 29.731 29.700 0.298 0.000 0.752 410 E HN 0.841 nan 8.360 nan 0.000 0.449 411 E N 1.054 121.328 120.200 0.123 0.000 2.058 411 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 411 E C 2.227 178.842 176.600 0.025 0.000 0.997 411 E CA 1.540 57.985 56.400 0.076 0.000 0.801 411 E CB -0.004 29.729 29.700 0.056 0.000 0.746 411 E HN 0.194 nan 8.360 nan 0.000 0.450 412 Q N 0.383 120.186 119.800 0.004 0.000 2.061 412 Q HA -0.193 4.146 4.340 -0.000 0.000 0.204 412 Q C 2.273 178.196 176.000 -0.129 0.000 0.984 412 Q CA 1.916 57.690 55.803 -0.048 0.000 0.846 412 Q CB -0.162 28.552 28.738 -0.039 0.000 0.902 412 Q HN 0.439 nan 8.270 nan 0.000 0.421 413 I N 1.032 121.503 120.570 -0.166 0.000 2.226 413 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 413 I C 2.047 178.017 176.117 -0.245 0.000 1.100 413 I CA 0.939 62.065 61.300 -0.290 0.000 1.374 413 I CB -0.438 37.248 38.000 -0.523 0.000 1.057 413 I HN 0.341 nan 8.210 nan 0.000 0.413 414 N N 0.575 119.192 118.700 -0.138 0.000 2.120 414 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 414 N C 1.942 177.407 175.510 -0.076 0.000 1.024 414 N CA 1.180 54.193 53.050 -0.061 0.000 0.852 414 N CB -0.437 38.105 38.487 0.092 0.000 1.003 414 N HN 0.147 nan 8.380 nan 0.000 0.424 415 V N 2.337 122.214 119.914 -0.062 0.000 2.255 415 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 415 V C 2.506 178.538 176.094 -0.102 0.000 1.051 415 V CA 1.340 63.603 62.300 -0.062 0.000 1.018 415 V CB -0.651 31.145 31.823 -0.045 0.000 0.641 415 V HN 0.252 nan 8.190 nan 0.000 0.445 416 L N -0.306 120.839 121.223 -0.131 0.000 2.013 416 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 416 L C 2.746 179.471 176.870 -0.242 0.000 1.073 416 L CA 2.179 56.928 54.840 -0.151 0.000 0.753 416 L CB -0.745 41.248 42.059 -0.110 0.000 0.890 416 L HN 0.293 nan 8.230 nan 0.000 0.432 417 R N 0.687 120.980 120.500 -0.345 0.000 2.105 417 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 417 R C 2.170 178.311 176.300 -0.264 0.000 1.135 417 R CA 1.657 57.451 56.100 -0.509 0.000 0.967 417 R CB -0.615 29.397 30.300 -0.480 0.000 0.861 417 R HN 0.351 nan 8.270 nan 0.000 0.442 418 A N -0.655 122.071 122.820 -0.156 0.000 1.877 418 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 418 A C 2.305 179.835 177.584 -0.090 0.000 1.186 418 A CA 1.883 53.866 52.037 -0.090 0.000 0.620 418 A CB -1.146 17.821 19.000 -0.054 0.000 0.822 418 A HN 0.478 nan 8.150 nan 0.000 0.443 419 S N -0.313 115.328 115.700 -0.098 0.000 2.351 419 S HA -0.130 4.339 4.470 -0.000 0.000 0.220 419 S C 2.256 176.805 174.600 -0.086 0.000 1.035 419 S CA 1.933 60.089 58.200 -0.074 0.000 1.031 419 S CB -0.653 62.507 63.200 -0.066 0.000 0.928 419 S HN 0.971 nan 8.310 nan 0.000 0.433 420 A N 0.763 123.498 122.820 -0.141 0.000 1.940 420 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 420 A C 2.119 179.630 177.584 -0.122 0.000 1.190 420 A CA 2.457 54.396 52.037 -0.163 0.000 0.647 420 A CB -1.173 17.669 19.000 -0.264 0.000 0.821 420 A HN 0.648 nan 8.150 nan 0.000 0.457 421 Q N -0.223 119.511 119.800 -0.109 0.000 1.993 421 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 421 Q C 1.933 177.907 176.000 -0.043 0.000 0.984 421 Q CA 2.244 58.005 55.803 -0.069 0.000 0.837 421 Q CB -0.420 28.285 28.738 -0.054 0.000 0.902 421 Q HN 0.750 nan 8.270 nan 0.000 0.423 422 E N 0.051 120.227 120.200 -0.039 0.000 2.086 422 E HA -0.247 4.103 4.350 -0.000 0.000 0.200 422 E C 2.037 178.631 176.600 -0.009 0.000 1.012 422 E CA 1.362 57.746 56.400 -0.025 0.000 0.812 422 E CB -0.399 29.285 29.700 -0.027 0.000 0.743 422 E HN 0.396 nan 8.360 nan 0.000 0.453 423 L N 0.748 121.970 121.223 -0.000 0.000 1.971 423 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 423 L C 2.469 179.389 176.870 0.084 0.000 1.072 423 L CA 1.405 56.275 54.840 0.050 0.000 0.758 423 L CB -0.336 41.739 42.059 0.027 0.000 0.889 423 L HN 0.079 nan 8.230 nan 0.000 0.433 424 V N -0.073 119.852 119.914 0.018 0.000 2.252 424 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 424 V C 2.484 178.611 176.094 0.056 0.000 1.056 424 V CA 2.225 64.538 62.300 0.023 0.000 1.022 424 V CB -0.731 31.071 31.823 -0.035 0.000 0.641 424 V HN 0.565 nan 8.190 nan 0.000 0.445 425 Q N -0.505 119.309 119.800 0.024 0.000 2.079 425 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 425 Q C 2.546 178.564 176.000 0.029 0.000 0.974 425 Q CA 1.733 57.548 55.803 0.020 0.000 0.840 425 Q CB -0.393 28.344 28.738 -0.001 0.000 0.898 425 Q HN 0.607 nan 8.270 nan 0.000 0.430 426 S N -0.076 115.632 115.700 0.013 0.000 2.378 426 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 426 S C 1.774 176.360 174.600 -0.023 0.000 1.052 426 S CA 1.462 59.642 58.200 -0.032 0.000 1.084 426 S CB -0.358 62.803 63.200 -0.065 0.000 0.950 426 S HN 0.439 nan 8.310 nan 0.000 0.440 427 Y N 1.590 121.902 120.300 0.021 0.000 2.145 427 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 427 Y C 2.816 178.742 175.900 0.042 0.000 1.145 427 Y CA 1.952 60.080 58.100 0.046 0.000 1.148 427 Y CB -0.315 38.163 38.460 0.030 0.000 0.981 427 Y HN 0.407 nan 8.280 nan 0.000 0.507 428 Q N -0.625 119.285 119.800 0.184 0.000 2.045 428 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 428 Q C 2.313 178.367 176.000 0.091 0.000 0.991 428 Q CA 2.248 58.117 55.803 0.110 0.000 0.851 428 Q CB -0.643 28.132 28.738 0.061 0.000 0.911 428 Q HN 0.328 nan 8.270 nan 0.000 0.418 429 V N 1.405 121.351 119.914 0.053 0.000 2.282 429 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 429 V C 2.412 178.526 176.094 0.034 0.000 1.057 429 V CA 1.840 64.151 62.300 0.018 0.000 1.032 429 V CB -1.324 30.480 31.823 -0.031 0.000 0.645 429 V HN 0.458 nan 8.190 nan 0.000 0.447 430 A N -0.519 122.329 122.820 0.047 0.000 1.971 430 A HA -0.360 3.960 4.320 -0.000 0.000 0.222 430 A C 2.158 179.935 177.584 0.322 0.000 1.182 430 A CA 2.377 54.500 52.037 0.143 0.000 0.649 430 A CB -0.639 18.496 19.000 0.225 0.000 0.818 430 A HN 0.675 nan 8.150 nan 0.000 0.458 431 E N -1.114 119.233 120.200 0.245 0.000 2.097 431 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 431 E C 2.132 178.896 176.600 0.272 0.000 1.000 431 E CA 1.580 58.126 56.400 0.242 0.000 0.804 431 E CB -0.108 29.687 29.700 0.157 0.000 0.740 431 E HN 0.881 nan 8.360 nan 0.000 0.454 432 E N 0.166 120.484 120.200 0.198 0.000 2.030 432 E HA -0.047 4.303 4.350 -0.000 0.000 0.189 432 E C 0.443 177.175 176.600 0.219 0.000 0.974 432 E CA 0.521 57.033 56.400 0.187 0.000 0.807 432 E CB 0.398 30.156 29.700 0.096 0.000 0.771 432 E HN 0.007 nan 8.360 nan 0.000 0.451 433 S N -1.830 113.871 115.700 0.002 0.000 2.540 433 S HA 0.472 4.942 4.470 -0.000 0.000 0.275 433 S C 0.455 174.507 174.600 -0.913 0.000 1.123 433 S CA -0.229 57.779 58.200 -0.321 0.000 0.907 433 S CB 1.614 64.737 63.200 -0.128 0.000 1.081 433 S HN 0.206 nan 8.310 nan 0.000 0.476 434 G N 2.170 109.734 108.800 -2.060 0.000 2.430 434 G HA2 0.187 4.147 3.960 -0.000 0.000 0.216 434 G HA3 0.187 4.147 3.960 -0.000 0.000 0.216 434 G C 1.477 175.802 174.900 -0.958 0.000 1.146 434 G CA 0.750 44.422 45.100 -2.380 0.000 0.793 434 G HN 1.071 nan 8.290 nan 0.000 0.537 435 A N 1.103 123.542 122.820 -0.636 0.000 1.902 435 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 435 A C 2.294 179.727 177.584 -0.253 0.000 1.181 435 A CA 1.919 53.767 52.037 -0.315 0.000 0.623 435 A CB -0.303 18.590 19.000 -0.178 0.000 0.818 435 A HN 0.359 nan 8.150 nan 0.000 0.443 436 K N -0.542 119.706 120.400 -0.254 0.000 2.031 436 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 436 K C 2.318 178.808 176.600 -0.183 0.000 1.049 436 K CA 0.915 57.099 56.287 -0.172 0.000 0.939 436 K CB -0.356 32.068 32.500 -0.127 0.000 0.717 436 K HN 0.396 nan 8.250 nan 0.000 0.438 437 A N 2.057 124.726 122.820 -0.252 0.000 2.042 437 A HA -0.281 4.039 4.320 -0.000 0.000 0.222 437 A C 2.025 179.496 177.584 -0.188 0.000 1.167 437 A CA 1.980 53.889 52.037 -0.213 0.000 0.649 437 A CB -0.376 18.462 19.000 -0.270 0.000 0.809 437 A HN 0.134 nan 8.150 nan 0.000 0.457 438 K N -0.098 120.177 120.400 -0.209 0.000 1.973 438 K HA -0.049 4.270 4.320 -0.000 0.000 0.210 438 K C 1.669 178.202 176.600 -0.111 0.000 1.045 438 K CA 1.885 58.080 56.287 -0.153 0.000 0.937 438 K CB -0.933 31.477 32.500 -0.149 0.000 0.721 438 K HN 0.168 nan 8.250 nan 0.000 0.438 439 V N 1.826 121.678 119.914 -0.103 0.000 2.439 439 V HA -0.272 3.847 4.120 -0.000 0.000 0.253 439 V C 2.185 178.240 176.094 -0.065 0.000 1.074 439 V CA 1.909 64.163 62.300 -0.075 0.000 1.076 439 V CB -0.664 31.118 31.823 -0.069 0.000 0.664 439 V HN 0.423 nan 8.190 nan 0.000 0.461 440 Q N -0.496 119.260 119.800 -0.072 0.000 2.500 440 Q HA -0.153 4.187 4.340 -0.000 0.000 0.213 440 Q C 1.399 177.367 176.000 -0.053 0.000 0.974 440 Q CA 0.951 56.719 55.803 -0.057 0.000 0.918 440 Q CB -0.370 28.333 28.738 -0.058 0.000 0.980 440 Q HN 0.688 nan 8.270 nan 0.000 0.505 441 D N -0.370 119.993 120.400 -0.062 0.000 2.324 441 D HA -0.015 4.625 4.640 -0.000 0.000 0.235 441 D C 0.743 177.017 176.300 -0.043 0.000 1.095 441 D CA 0.494 54.461 54.000 -0.056 0.000 0.871 441 D CB 0.352 41.111 40.800 -0.068 0.000 0.906 441 D HN 0.206 nan 8.370 nan 0.000 0.522 442 S N -2.273 113.403 115.700 -0.039 0.000 6.768 442 S HA 0.542 5.012 4.470 -0.000 0.000 0.077 442 S C 0.061 174.645 174.600 -0.027 0.000 1.316 442 S CA -0.159 58.023 58.200 -0.030 0.000 1.269 442 S CB 0.510 63.692 63.200 -0.030 0.000 1.717 442 S HN 0.261 nan 8.310 nan 0.000 0.552 443 A N 0.000 122.803 122.820 -0.028 0.000 2.254 443 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 443 A CA 0.000 nan 52.037 nan 0.000 0.836 443 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 443 A HN 0.000 nan 8.150 nan 0.000 0.486