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 1p84_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.892 176.870 0.037 0.000 1.165 17 L CA 0.000 54.859 54.840 0.031 0.000 0.813 17 L CB 0.000 42.069 42.059 0.016 0.000 0.961 18 T N 1.163 115.747 114.554 0.051 0.000 2.749 18 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 18 T C 0.409 175.142 174.700 0.055 0.000 0.936 18 T CA -0.180 61.951 62.100 0.052 0.000 1.060 18 T CB 1.788 70.694 68.868 0.065 0.000 0.904 18 T HN 0.169 nan 8.240 nan 0.000 0.500 19 V N 4.349 124.291 119.914 0.047 0.000 2.275 19 V HA 0.292 4.412 4.120 -0.000 0.000 0.272 19 V C 0.345 176.468 176.094 0.048 0.000 1.028 19 V CA -0.644 61.687 62.300 0.051 0.000 0.810 19 V CB 0.506 32.356 31.823 0.046 0.000 1.043 19 V HN 0.945 nan 8.190 nan 0.000 0.453 20 S N 2.844 118.575 115.700 0.053 0.000 2.693 20 S HA 0.964 5.433 4.470 -0.000 0.000 0.276 20 S C 0.310 174.939 174.600 0.047 0.000 1.192 20 S CA 0.064 58.291 58.200 0.046 0.000 0.994 20 S CB 2.138 65.366 63.200 0.046 0.000 1.012 20 S HN 1.096 nan 8.310 nan 0.000 0.550 21 A N 0.563 123.406 122.820 0.038 0.000 2.573 21 A HA 0.905 5.225 4.320 -0.000 0.000 0.310 21 A C -1.196 176.401 177.584 0.023 0.000 1.142 21 A CA -0.867 51.192 52.037 0.037 0.000 0.620 21 A CB 1.048 20.075 19.000 0.045 0.000 1.382 21 A HN 0.780 nan 8.150 nan 0.000 0.545 22 R N 0.263 120.774 120.500 0.019 0.000 3.963 22 R HA 0.205 4.545 4.340 -0.000 0.000 0.314 22 R C -1.984 174.318 176.300 0.003 0.000 0.853 22 R CA -0.178 55.927 56.100 0.008 0.000 1.136 22 R CB 0.068 30.369 30.300 0.000 0.000 1.382 22 R HN 0.939 nan 8.270 nan 0.000 0.465 23 D N 2.122 122.526 120.400 0.007 0.000 2.384 23 D HA 0.757 5.397 4.640 -0.000 0.000 0.244 23 D C -0.594 175.702 176.300 -0.006 0.000 1.251 23 D CA 1.052 55.055 54.000 0.005 0.000 0.961 23 D CB 1.442 42.249 40.800 0.012 0.000 1.116 23 D HN 0.721 nan 8.370 nan 0.000 0.484 24 A N 0.325 123.140 122.820 -0.009 0.000 2.549 24 A HA 0.394 4.714 4.320 -0.000 0.000 0.291 24 A C -2.547 175.028 177.584 -0.014 0.000 1.034 24 A CA -0.830 51.198 52.037 -0.015 0.000 0.655 24 A CB 1.034 20.018 19.000 -0.026 0.000 1.299 24 A HN 0.480 nan 8.150 nan 0.000 0.427 25 P HA 0.106 nan 4.420 nan 0.000 0.255 25 P C 0.564 177.853 177.300 -0.019 0.000 1.427 25 P CA 0.767 63.860 63.100 -0.012 0.000 0.863 25 P CB -0.448 31.245 31.700 -0.010 0.000 1.444 26 T N -2.528 112.008 114.554 -0.030 0.000 2.874 26 T HA 0.300 4.650 4.350 -0.000 0.000 0.281 26 T C 0.987 175.659 174.700 -0.046 0.000 0.994 26 T CA -0.515 61.560 62.100 -0.041 0.000 1.015 26 T CB 1.651 70.486 68.868 -0.056 0.000 1.028 26 T HN -0.114 nan 8.240 nan 0.000 0.523 27 K N 0.160 120.528 120.400 -0.053 0.000 2.367 27 K HA 0.263 4.583 4.320 -0.000 0.000 0.194 27 K C -0.017 176.528 176.600 -0.092 0.000 1.027 27 K CA 0.042 56.297 56.287 -0.053 0.000 1.075 27 K CB 0.282 32.761 32.500 -0.036 0.000 0.845 27 K HN 0.483 nan 8.250 nan 0.000 0.529 28 I N 1.786 122.276 120.570 -0.134 0.000 2.359 28 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 28 I C -0.176 175.750 176.117 -0.318 0.000 1.018 28 I CA -0.169 60.997 61.300 -0.223 0.000 1.173 28 I CB 1.166 39.054 38.000 -0.188 0.000 1.326 28 I HN -0.106 nan 8.210 nan 0.000 0.462 29 S N 4.000 119.381 115.700 -0.531 0.000 2.672 29 S HA 0.586 5.056 4.470 -0.000 0.000 0.276 29 S C 0.430 174.466 174.600 -0.941 0.000 1.207 29 S CA -0.522 57.297 58.200 -0.636 0.000 1.002 29 S CB 1.911 64.758 63.200 -0.587 0.000 0.998 29 S HN 0.669 nan 8.310 nan 0.000 0.542 30 T N 2.092 116.304 114.554 -0.571 0.000 3.160 30 T HA 0.259 4.609 4.350 -0.000 0.000 0.344 30 T C -0.676 173.988 174.700 -0.061 0.000 0.981 30 T CA -0.616 61.260 62.100 -0.373 0.000 1.170 30 T CB -0.067 68.656 68.868 -0.241 0.000 1.016 30 T HN 0.361 nan 8.240 nan 0.000 0.492 31 L N 3.523 124.857 121.223 0.185 0.000 2.473 31 L HA 0.790 5.130 4.340 -0.000 0.000 0.268 31 L C 0.299 177.273 176.870 0.174 0.000 1.215 31 L CA 0.492 55.486 54.840 0.257 0.000 0.823 31 L CB 0.796 43.093 42.059 0.397 0.000 1.099 31 L HN 0.950 nan 8.230 nan 0.000 0.483 32 A N 3.625 126.535 122.820 0.149 0.000 2.512 32 A HA 0.530 4.849 4.320 -0.000 0.000 0.294 32 A C -1.378 176.280 177.584 0.122 0.000 1.054 32 A CA -0.490 51.626 52.037 0.131 0.000 0.756 32 A CB 1.135 20.185 19.000 0.084 0.000 1.293 32 A HN 0.295 nan 8.150 nan 0.000 0.395 33 V N 4.029 124.022 119.914 0.132 0.000 2.257 33 V HA 0.233 4.353 4.120 -0.000 0.000 0.269 33 V C 0.207 176.376 176.094 0.124 0.000 1.040 33 V CA -0.395 61.971 62.300 0.109 0.000 0.813 33 V CB 0.784 32.653 31.823 0.076 0.000 1.065 33 V HN 0.826 nan 8.190 nan 0.000 0.457 34 K N 3.016 123.499 120.400 0.138 0.000 2.295 34 K HA 0.643 4.963 4.320 -0.000 0.000 0.270 34 K C -0.713 175.993 176.600 0.176 0.000 1.011 34 K CA -0.244 56.170 56.287 0.210 0.000 0.953 34 K CB 1.583 34.233 32.500 0.249 0.000 0.956 34 K HN 0.398 nan 8.250 nan 0.000 0.477 35 V N 2.424 122.441 119.914 0.173 0.000 2.851 35 V HA 0.070 4.190 4.120 -0.000 0.000 0.307 35 V C -0.559 175.445 176.094 -0.149 0.000 1.129 35 V CA -0.942 61.387 62.300 0.048 0.000 0.932 35 V CB 1.853 33.790 31.823 0.189 0.000 1.024 35 V HN 0.791 nan 8.190 nan 0.000 0.426 36 H N 3.507 122.490 119.070 -0.145 0.000 2.998 36 H HA 0.301 4.857 4.556 -0.000 0.000 0.241 36 H C 0.906 176.092 175.328 -0.237 0.000 1.852 36 H CA 0.640 56.515 56.048 -0.289 0.000 1.419 36 H CB 0.545 30.008 29.762 -0.499 0.000 1.793 36 H HN 0.863 nan 8.280 nan 0.000 0.553 37 G N 1.170 110.075 108.800 0.175 0.000 3.651 37 G HA2 0.109 4.069 3.960 -0.000 0.000 0.267 37 G HA3 0.109 4.069 3.960 -0.000 0.000 0.267 37 G C 1.019 176.251 174.900 0.553 0.000 1.009 37 G CA 0.107 45.399 45.100 0.320 0.000 0.866 37 G HN 0.556 nan 8.290 nan 0.000 0.488 38 G N 0.914 110.001 108.800 0.477 0.000 2.661 38 G HA2 0.261 4.221 3.960 -0.000 0.000 0.272 38 G HA3 0.261 4.221 3.960 -0.000 0.000 0.272 38 G C 1.592 176.618 174.900 0.209 0.000 1.296 38 G CA 0.753 46.035 45.100 0.304 0.000 0.998 38 G HN 0.653 nan 8.290 nan 0.000 0.553 39 S N -0.906 114.838 115.700 0.073 0.000 2.400 39 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 39 S C 2.121 176.683 174.600 -0.064 0.000 1.025 39 S CA 1.300 59.498 58.200 -0.005 0.000 0.993 39 S CB -0.281 62.898 63.200 -0.035 0.000 0.808 39 S HN 0.546 nan 8.310 nan 0.000 0.478 40 R N 0.428 120.810 120.500 -0.196 0.000 2.159 40 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 40 R C 0.904 176.983 176.300 -0.369 0.000 1.131 40 R CA 1.500 57.364 56.100 -0.394 0.000 0.982 40 R CB -0.340 29.540 30.300 -0.700 0.000 0.868 40 R HN 0.731 nan 8.270 nan 0.000 0.453 41 Y N -1.090 119.270 120.300 0.100 0.000 2.467 41 Y HA 0.363 4.913 4.550 -0.000 0.000 0.250 41 Y C 0.731 176.792 175.900 0.269 0.000 1.155 41 Y CA -0.291 57.903 58.100 0.156 0.000 1.249 41 Y CB 0.311 38.870 38.460 0.164 0.000 1.146 41 Y HN -0.076 nan 8.280 nan 0.000 0.524 42 A N 0.894 123.854 122.820 0.233 0.000 2.522 42 A HA 0.051 4.370 4.320 -0.000 0.000 0.256 42 A C 1.652 179.258 177.584 0.037 0.000 1.086 42 A CA 0.854 52.885 52.037 -0.009 0.000 0.763 42 A CB 0.122 19.018 19.000 -0.173 0.000 1.024 42 A HN 0.412 nan 8.150 nan 0.000 0.502 43 T N 1.962 116.557 114.554 0.068 0.000 2.821 43 T HA -0.002 4.348 4.350 -0.000 0.000 0.267 43 T C 0.839 175.543 174.700 0.006 0.000 1.046 43 T CA 1.645 63.794 62.100 0.082 0.000 1.139 43 T CB -0.284 68.673 68.868 0.150 0.000 0.871 43 T HN 0.666 nan 8.240 nan 0.000 0.454 44 K N 0.975 121.341 120.400 -0.057 0.000 2.435 44 K HA 0.324 4.644 4.320 -0.000 0.000 0.251 44 K C -1.470 175.100 176.600 -0.050 0.000 0.954 44 K CA -0.930 55.334 56.287 -0.039 0.000 0.820 44 K CB 1.545 34.028 32.500 -0.028 0.000 1.292 44 K HN -0.004 nan 8.250 nan 0.000 0.436 45 D N 1.121 121.514 120.400 -0.010 0.000 2.479 45 D HA 0.036 4.676 4.640 -0.000 0.000 0.257 45 D C 1.102 177.445 176.300 0.071 0.000 1.230 45 D CA 1.606 55.609 54.000 0.004 0.000 0.912 45 D CB 0.491 41.283 40.800 -0.013 0.000 1.130 45 D HN 0.825 nan 8.370 nan 0.000 0.515 46 G N 1.683 110.512 108.800 0.048 0.000 2.184 46 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 46 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 46 G C 1.331 176.261 174.900 0.052 0.000 0.975 46 G CA 0.288 45.475 45.100 0.145 0.000 0.642 46 G HN 0.467 nan 8.290 nan 0.000 0.536 47 V N 0.561 120.400 119.914 -0.125 0.000 2.469 47 V HA -0.067 4.053 4.120 -0.000 0.000 0.251 47 V C 3.192 179.078 176.094 -0.347 0.000 1.064 47 V CA 2.945 65.076 62.300 -0.280 0.000 1.066 47 V CB -0.966 30.602 31.823 -0.426 0.000 0.667 47 V HN 0.956 nan 8.190 nan 0.000 0.461 48 A N -0.480 122.106 122.820 -0.390 0.000 1.930 48 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 48 A C 2.163 179.803 177.584 0.093 0.000 1.175 48 A CA 2.047 53.980 52.037 -0.173 0.000 0.627 48 A CB -0.764 18.210 19.000 -0.043 0.000 0.815 48 A HN 0.678 nan 8.150 nan 0.000 0.443 49 H N 0.554 119.617 119.070 -0.012 0.000 2.267 49 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 49 H C 1.774 177.139 175.328 0.063 0.000 1.080 49 H CA 2.097 58.177 56.048 0.053 0.000 1.278 49 H CB -0.615 29.190 29.762 0.072 0.000 1.365 49 H HN 0.348 nan 8.280 nan 0.000 0.489 50 L N -0.484 120.686 121.223 -0.087 0.000 2.043 50 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 50 L C 2.674 179.610 176.870 0.109 0.000 1.075 50 L CA 1.331 56.087 54.840 -0.140 0.000 0.752 50 L CB -0.596 41.353 42.059 -0.184 0.000 0.891 50 L HN 0.283 nan 8.230 nan 0.000 0.432 51 L N 0.166 121.493 121.223 0.173 0.000 2.093 51 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 51 L C 2.224 179.284 176.870 0.317 0.000 1.085 51 L CA 1.716 56.738 54.840 0.303 0.000 0.755 51 L CB -0.879 41.344 42.059 0.274 0.000 0.904 51 L HN 0.293 nan 8.230 nan 0.000 0.435 52 N N -0.712 118.151 118.700 0.271 0.000 2.223 52 N HA -0.248 4.492 4.740 -0.000 0.000 0.185 52 N C 1.941 177.600 175.510 0.249 0.000 1.016 52 N CA 0.827 54.044 53.050 0.280 0.000 0.863 52 N CB 0.072 38.731 38.487 0.287 0.000 0.983 52 N HN 0.195 nan 8.380 nan 0.000 0.429 53 R N -0.216 120.395 120.500 0.185 0.000 2.153 53 R HA 0.111 4.451 4.340 -0.000 0.000 0.218 53 R C 1.544 177.902 176.300 0.097 0.000 1.072 53 R CA 0.676 56.838 56.100 0.103 0.000 0.990 53 R CB -0.469 29.798 30.300 -0.054 0.000 0.889 53 R HN 0.252 nan 8.270 nan 0.000 0.452 54 F N 0.226 120.214 119.950 0.063 0.000 2.710 54 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 54 F C 0.181 175.963 175.800 -0.029 0.000 1.137 54 F CA -0.128 57.892 58.000 0.032 0.000 1.444 54 F CB 0.180 39.255 39.000 0.125 0.000 1.111 54 F HN 0.021 nan 8.300 nan 0.000 0.580 55 N N 0.126 118.960 118.700 0.223 0.000 2.508 55 N HA 0.060 4.800 4.740 -0.000 0.000 0.264 55 N C -0.262 175.275 175.510 0.046 0.000 1.216 55 N CA 0.135 53.183 53.050 -0.003 0.000 0.943 55 N CB 0.212 38.672 38.487 -0.046 0.000 1.113 55 N HN 0.101 nan 8.380 nan 0.000 0.447 56 F N -1.701 118.223 119.950 -0.043 0.000 2.914 56 F HA -0.305 4.221 4.527 -0.000 0.000 0.304 56 F C 1.340 177.091 175.800 -0.082 0.000 0.712 56 F CA 0.296 58.230 58.000 -0.110 0.000 1.211 56 F CB -1.103 37.842 39.000 -0.092 0.000 1.515 56 F HN 0.557 nan 8.300 nan 0.000 0.350 57 Q N 0.390 120.221 119.800 0.052 0.000 2.929 57 Q HA 0.206 4.545 4.340 -0.000 0.000 0.260 57 Q C 0.585 176.569 176.000 -0.027 0.000 1.149 57 Q CA 0.288 56.111 55.803 0.034 0.000 0.546 57 Q CB -0.082 28.713 28.738 0.094 0.000 5.136 57 Q HN 0.159 nan 8.270 nan 0.000 0.357 58 N N 0.937 119.609 118.700 -0.047 0.000 2.479 58 N HA 0.176 4.916 4.740 -0.000 0.000 0.285 58 N C -0.446 174.972 175.510 -0.153 0.000 1.075 58 N CA 0.054 53.058 53.050 -0.077 0.000 0.967 58 N CB 1.135 39.594 38.487 -0.046 0.000 1.137 58 N HN 0.449 nan 8.380 nan 0.000 0.472 59 T N -1.113 113.359 114.554 -0.136 0.000 2.910 59 T HA 0.348 4.698 4.350 -0.000 0.000 0.279 59 T C 0.948 175.579 174.700 -0.115 0.000 0.989 59 T CA -0.660 61.344 62.100 -0.160 0.000 0.968 59 T CB 0.830 69.607 68.868 -0.151 0.000 1.135 59 T HN 0.211 nan 8.240 nan 0.000 0.562 60 N N 0.301 118.934 118.700 -0.111 0.000 2.494 60 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 60 N C 1.602 177.077 175.510 -0.057 0.000 1.076 60 N CA 1.334 54.336 53.050 -0.080 0.000 0.908 60 N CB -0.109 38.325 38.487 -0.089 0.000 0.967 60 N HN 0.907 nan 8.380 nan 0.000 0.449 61 T N -3.917 110.601 114.554 -0.059 0.000 2.958 61 T HA 0.311 4.661 4.350 -0.000 0.000 0.256 61 T C 0.677 175.354 174.700 -0.038 0.000 0.983 61 T CA -0.296 61.779 62.100 -0.042 0.000 0.924 61 T CB 0.905 69.750 68.868 -0.038 0.000 1.136 61 T HN -0.132 nan 8.240 nan 0.000 0.506 62 R N 2.033 122.503 120.500 -0.051 0.000 2.575 62 R HA 0.604 4.944 4.340 -0.000 0.000 0.293 62 R C -0.611 175.666 176.300 -0.039 0.000 0.983 62 R CA -0.218 55.857 56.100 -0.041 0.000 0.887 62 R CB 1.945 32.209 30.300 -0.059 0.000 1.184 62 R HN 0.339 nan 8.270 nan 0.000 0.445 63 S N 2.370 118.060 115.700 -0.016 0.000 2.610 63 S HA 0.395 4.865 4.470 -0.000 0.000 0.273 63 S C 1.178 175.777 174.600 -0.002 0.000 1.274 63 S CA -0.195 58.002 58.200 -0.006 0.000 1.023 63 S CB 1.788 64.995 63.200 0.011 0.000 0.962 63 S HN 0.743 nan 8.310 nan 0.000 0.523 64 A N 1.414 124.238 122.820 0.005 0.000 1.986 64 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 64 A C 1.961 179.562 177.584 0.028 0.000 1.171 64 A CA 1.688 53.736 52.037 0.018 0.000 0.640 64 A CB -0.963 18.054 19.000 0.028 0.000 0.811 64 A HN 0.977 nan 8.150 nan 0.000 0.451 65 L N -0.278 120.961 121.223 0.027 0.000 2.005 65 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 65 L C 2.250 179.141 176.870 0.035 0.000 1.072 65 L CA 2.671 57.529 54.840 0.030 0.000 0.744 65 L CB -0.608 41.466 42.059 0.025 0.000 0.895 65 L HN 0.404 nan 8.230 nan 0.000 0.433 66 K N -0.925 119.494 120.400 0.031 0.000 2.097 66 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 66 K C 2.141 178.779 176.600 0.063 0.000 1.049 66 K CA 1.627 57.937 56.287 0.038 0.000 0.933 66 K CB -0.313 32.203 32.500 0.027 0.000 0.717 66 K HN 0.305 nan 8.250 nan 0.000 0.442 67 L N 0.760 122.015 121.223 0.054 0.000 2.012 67 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 67 L C 1.965 178.926 176.870 0.152 0.000 1.073 67 L CA 1.611 56.498 54.840 0.078 0.000 0.748 67 L CB -0.513 41.536 42.059 -0.016 0.000 0.891 67 L HN 0.016 nan 8.230 nan 0.000 0.431 68 V N -0.034 119.948 119.914 0.113 0.000 2.307 68 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 68 V C 2.772 178.931 176.094 0.109 0.000 1.045 68 V CA 1.638 64.017 62.300 0.131 0.000 1.024 68 V CB -0.831 31.043 31.823 0.086 0.000 0.651 68 V HN 0.417 nan 8.190 nan 0.000 0.449 69 R N 0.260 120.805 120.500 0.075 0.000 2.096 69 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 69 R C 2.120 178.447 176.300 0.046 0.000 1.127 69 R CA 1.341 57.471 56.100 0.050 0.000 0.968 69 R CB -0.622 29.698 30.300 0.034 0.000 0.861 69 R HN 0.629 nan 8.270 nan 0.000 0.440 70 E N 0.713 120.951 120.200 0.064 0.000 2.015 70 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 70 E C 2.005 178.597 176.600 -0.013 0.000 0.991 70 E CA 1.664 58.076 56.400 0.019 0.000 0.802 70 E CB -0.003 29.741 29.700 0.073 0.000 0.759 70 E HN 0.368 nan 8.360 nan 0.000 0.447 71 S N 1.123 116.901 115.700 0.131 0.000 2.402 71 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 71 S C 1.767 176.435 174.600 0.113 0.000 1.030 71 S CA 1.208 59.519 58.200 0.186 0.000 1.003 71 S CB -0.386 63.095 63.200 0.469 0.000 0.813 71 S HN 0.244 nan 8.310 nan 0.000 0.477 72 E N 0.770 121.022 120.200 0.085 0.000 2.072 72 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 72 E C 1.895 178.507 176.600 0.020 0.000 0.985 72 E CA 0.859 57.289 56.400 0.051 0.000 0.801 72 E CB -0.187 29.539 29.700 0.043 0.000 0.750 72 E HN 0.319 nan 8.360 nan 0.000 0.452 73 L N 0.669 121.890 121.223 -0.002 0.000 2.141 73 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 73 L C 2.193 179.039 176.870 -0.039 0.000 1.094 73 L CA 1.319 56.145 54.840 -0.025 0.000 0.763 73 L CB -0.763 41.272 42.059 -0.040 0.000 0.908 73 L HN 0.234 nan 8.230 nan 0.000 0.437 74 L N -0.736 120.453 121.223 -0.057 0.000 2.068 74 L HA 0.068 4.408 4.340 -0.000 0.000 0.204 74 L C 1.009 177.900 176.870 0.035 0.000 1.076 74 L CA 1.003 55.812 54.840 -0.051 0.000 0.753 74 L CB -0.317 41.659 42.059 -0.138 0.000 0.910 74 L HN 0.471 nan 8.230 nan 0.000 0.439 75 G N -0.174 108.667 108.800 0.069 0.000 2.857 75 G HA2 0.175 4.135 3.960 -0.000 0.000 0.166 75 G HA3 0.175 4.135 3.960 -0.000 0.000 0.166 75 G C -0.199 174.743 174.900 0.069 0.000 1.060 75 G CA -0.454 44.680 45.100 0.057 0.000 0.976 75 G HN 0.591 nan 8.290 nan 0.000 0.549 76 G N -0.760 108.086 108.800 0.077 0.000 2.632 76 G HA2 1.049 5.009 3.960 -0.000 0.000 0.292 76 G HA3 1.049 5.009 3.960 -0.000 0.000 0.292 76 G C -0.442 174.413 174.900 -0.074 0.000 1.465 76 G CA 0.770 45.845 45.100 -0.041 0.000 0.824 76 G HN 1.650 nan 8.290 nan 0.000 0.509 77 T N -1.775 112.643 114.554 -0.228 0.000 2.907 77 T HA 0.844 5.194 4.350 -0.000 0.000 0.290 77 T C -0.927 173.494 174.700 -0.464 0.000 1.066 77 T CA -0.804 61.168 62.100 -0.213 0.000 1.012 77 T CB 1.934 70.747 68.868 -0.091 0.000 1.184 77 T HN 0.342 nan 8.240 nan 0.000 0.522 78 F N 0.130 119.972 119.950 -0.180 0.000 2.618 78 F HA 0.896 5.423 4.527 -0.000 0.000 0.332 78 F C 0.089 175.655 175.800 -0.390 0.000 1.061 78 F CA -0.901 56.848 58.000 -0.418 0.000 0.974 78 F CB 2.226 40.578 39.000 -1.080 0.000 1.310 78 F HN 0.770 nan 8.300 nan 0.000 0.491 79 K N 0.226 120.548 120.400 -0.131 0.000 2.610 79 K HA 0.484 4.803 4.320 -0.000 0.000 0.267 79 K C -1.853 174.902 176.600 0.259 0.000 0.943 79 K CA -0.398 55.910 56.287 0.037 0.000 0.862 79 K CB 1.912 34.442 32.500 0.049 0.000 1.376 79 K HN 0.473 nan 8.250 nan 0.000 0.412 80 S N 2.189 118.077 115.700 0.313 0.000 2.756 80 S HA 0.591 5.061 4.470 -0.000 0.000 0.303 80 S C -1.123 173.628 174.600 0.251 0.000 1.135 80 S CA -0.396 58.022 58.200 0.362 0.000 1.066 80 S CB 0.713 64.185 63.200 0.453 0.000 1.008 80 S HN 0.558 nan 8.310 nan 0.000 0.482 81 T N 4.421 119.102 114.554 0.211 0.000 2.928 81 T HA 0.579 4.929 4.350 -0.000 0.000 0.284 81 T C -0.775 174.036 174.700 0.185 0.000 1.008 81 T CA -0.486 61.714 62.100 0.168 0.000 1.057 81 T CB 1.203 70.144 68.868 0.121 0.000 1.018 81 T HN 0.524 nan 8.240 nan 0.000 0.493 82 L N 2.486 123.804 121.223 0.159 0.000 2.343 82 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 82 L C -0.992 175.955 176.870 0.129 0.000 0.996 82 L CA -0.308 54.631 54.840 0.165 0.000 0.831 82 L CB 1.196 43.350 42.059 0.158 0.000 1.232 82 L HN 0.539 nan 8.230 nan 0.000 0.413 83 D N 1.584 122.088 120.400 0.174 0.000 2.539 83 D HA 0.380 5.020 4.640 -0.000 0.000 0.276 83 D C 0.582 176.975 176.300 0.155 0.000 1.206 83 D CA -0.426 53.676 54.000 0.169 0.000 1.081 83 D CB 0.854 41.808 40.800 0.257 0.000 1.142 83 D HN 0.429 nan 8.370 nan 0.000 0.595 84 R N 0.062 120.667 120.500 0.176 0.000 2.200 84 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 84 R C 1.205 177.561 176.300 0.093 0.000 1.033 84 R CA 1.301 57.459 56.100 0.096 0.000 1.000 84 R CB 0.197 30.566 30.300 0.114 0.000 0.906 84 R HN 0.509 nan 8.270 nan 0.000 0.462 85 E N -2.165 118.188 120.200 0.255 0.000 2.399 85 E HA 0.093 4.443 4.350 -0.000 0.000 0.206 85 E C -0.511 176.270 176.600 0.302 0.000 0.812 85 E CA -0.078 56.453 56.400 0.218 0.000 1.138 85 E CB 0.303 30.206 29.700 0.339 0.000 1.140 85 E HN 0.159 nan 8.360 nan 0.000 0.536 86 Y N -0.070 120.360 120.300 0.217 0.000 2.545 86 Y HA 0.512 5.061 4.550 -0.000 0.000 0.324 86 Y C 0.190 176.196 175.900 0.177 0.000 1.220 86 Y CA -0.779 57.416 58.100 0.157 0.000 1.290 86 Y CB 1.456 39.959 38.460 0.073 0.000 1.355 86 Y HN -0.118 nan 8.280 nan 0.000 0.516 87 I N 1.444 122.231 120.570 0.363 0.000 2.576 87 I HA 0.140 4.310 4.170 -0.000 0.000 0.279 87 I C -1.348 174.939 176.117 0.284 0.000 1.114 87 I CA -0.284 61.201 61.300 0.309 0.000 1.076 87 I CB 1.374 39.574 38.000 0.333 0.000 1.212 87 I HN 0.585 nan 8.210 nan 0.000 0.472 88 T N 6.321 121.022 114.554 0.244 0.000 2.767 88 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 88 T C -0.186 174.646 174.700 0.220 0.000 0.963 88 T CA -0.443 61.778 62.100 0.202 0.000 1.019 88 T CB 1.456 70.405 68.868 0.134 0.000 0.923 88 T HN 0.139 nan 8.240 nan 0.000 0.468 89 L N 3.813 125.166 121.223 0.217 0.000 2.321 89 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 89 L C 0.441 177.498 176.870 0.311 0.000 1.050 89 L CA -0.112 54.911 54.840 0.305 0.000 0.893 89 L CB 0.454 42.633 42.059 0.200 0.000 1.272 89 L HN 0.491 nan 8.230 nan 0.000 0.435 90 K N 2.041 122.611 120.400 0.284 0.000 2.090 90 K HA 0.898 5.218 4.320 -0.000 0.000 0.249 90 K C -0.710 176.015 176.600 0.208 0.000 0.995 90 K CA -0.601 55.805 56.287 0.198 0.000 0.914 90 K CB 1.325 33.889 32.500 0.108 0.000 1.057 90 K HN 0.522 nan 8.250 nan 0.000 0.462 91 A N 1.969 124.862 122.820 0.122 0.000 2.497 91 A HA 0.320 4.640 4.320 -0.000 0.000 0.280 91 A C -1.229 176.341 177.584 -0.024 0.000 1.065 91 A CA -0.727 51.307 52.037 -0.005 0.000 0.781 91 A CB 1.274 20.323 19.000 0.082 0.000 1.289 91 A HN 0.607 nan 8.150 nan 0.000 0.415 92 T N 2.998 117.444 114.554 -0.180 0.000 2.799 92 T HA 0.754 5.104 4.350 -0.000 0.000 0.286 92 T C -0.389 174.122 174.700 -0.315 0.000 0.973 92 T CA 0.107 62.036 62.100 -0.285 0.000 1.035 92 T CB 0.031 68.768 68.868 -0.219 0.000 0.932 92 T HN 0.983 nan 8.240 nan 0.000 0.469 93 F N 0.010 119.684 119.950 -0.459 0.000 3.052 93 F HA 0.644 5.171 4.527 -0.000 0.000 0.323 93 F C -1.755 173.888 175.800 -0.263 0.000 1.178 93 F CA -1.810 55.889 58.000 -0.502 0.000 0.892 93 F CB 0.764 39.091 39.000 -1.121 0.000 1.416 93 F HN 0.244 nan 8.300 nan 0.000 0.488 94 L N 2.260 123.542 121.223 0.099 0.000 2.371 94 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 94 L C 1.552 178.553 176.870 0.218 0.000 1.124 94 L CA -0.517 54.367 54.840 0.073 0.000 0.816 94 L CB 1.279 43.392 42.059 0.091 0.000 1.129 94 L HN 0.859 nan 8.230 nan 0.000 0.448 95 K N 1.522 121.967 120.400 0.075 0.000 2.015 95 K HA -0.231 4.089 4.320 -0.000 0.000 0.220 95 K C 0.976 177.714 176.600 0.229 0.000 1.055 95 K CA 2.282 58.643 56.287 0.123 0.000 0.951 95 K CB 0.079 32.605 32.500 0.045 0.000 0.725 95 K HN 0.675 nan 8.250 nan 0.000 0.449 96 D N 0.792 121.289 120.400 0.162 0.000 2.392 96 D HA -0.083 4.557 4.640 -0.000 0.000 0.228 96 D C 0.136 176.521 176.300 0.142 0.000 1.003 96 D CA 0.750 54.836 54.000 0.142 0.000 0.917 96 D CB -0.002 40.853 40.800 0.091 0.000 0.890 96 D HN 0.286 nan 8.370 nan 0.000 0.532 97 D N -0.076 120.449 120.400 0.208 0.000 2.424 97 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 97 D C 1.970 178.323 176.300 0.088 0.000 1.150 97 D CA -0.326 53.763 54.000 0.149 0.000 0.831 97 D CB 0.413 41.356 40.800 0.237 0.000 0.981 97 D HN 0.104 nan 8.370 nan 0.000 0.500 98 L N 2.221 123.513 121.223 0.114 0.000 2.010 98 L HA -0.185 4.155 4.340 -0.000 0.000 0.219 98 L C -0.605 176.167 176.870 -0.163 0.000 1.077 98 L CA 2.371 57.231 54.840 0.034 0.000 0.773 98 L CB -1.065 41.130 42.059 0.228 0.000 0.892 98 L HN 0.074 nan 8.230 nan 0.000 0.436 99 P HA -0.282 nan 4.420 nan 0.000 0.216 99 P C 1.455 178.551 177.300 -0.340 0.000 1.150 99 P CA 1.818 64.526 63.100 -0.654 0.000 0.843 99 P CB -0.368 30.733 31.700 -0.998 0.000 0.787 100 Y N 0.592 120.658 120.300 -0.390 0.000 2.097 100 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 100 Y C 2.371 178.005 175.900 -0.443 0.000 1.152 100 Y CA 1.847 59.683 58.100 -0.440 0.000 1.136 100 Y CB -1.286 36.818 38.460 -0.593 0.000 0.975 100 Y HN -0.156 nan 8.280 nan 0.000 0.498 101 Y N -1.515 118.649 120.300 -0.227 0.000 2.509 101 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 101 Y C 2.280 178.112 175.900 -0.114 0.000 1.133 101 Y CA 0.830 58.809 58.100 -0.201 0.000 1.283 101 Y CB -0.514 37.619 38.460 -0.545 0.000 1.001 101 Y HN -0.009 nan 8.280 nan 0.000 0.555 102 V N 0.029 119.908 119.914 -0.060 0.000 2.346 102 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 102 V C 1.506 177.564 176.094 -0.060 0.000 1.037 102 V CA 2.032 64.325 62.300 -0.012 0.000 1.029 102 V CB -0.558 31.261 31.823 -0.007 0.000 0.663 102 V HN 0.397 nan 8.190 nan 0.000 0.454 103 N N 0.515 119.120 118.700 -0.159 0.000 2.244 103 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 103 N C 1.844 177.231 175.510 -0.205 0.000 1.016 103 N CA 1.162 54.108 53.050 -0.174 0.000 0.866 103 N CB -0.307 38.052 38.487 -0.213 0.000 0.980 103 N HN 0.467 nan 8.380 nan 0.000 0.430 104 A N 0.981 123.636 122.820 -0.275 0.000 1.858 104 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 104 A C 2.083 179.597 177.584 -0.116 0.000 1.190 104 A CA 1.037 52.923 52.037 -0.252 0.000 0.617 104 A CB -0.806 18.078 19.000 -0.195 0.000 0.827 104 A HN 0.192 nan 8.150 nan 0.000 0.443 105 L N -0.785 120.456 121.223 0.030 0.000 2.131 105 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 105 L C 3.059 179.876 176.870 -0.087 0.000 1.092 105 L CA 0.850 55.702 54.840 0.020 0.000 0.759 105 L CB -0.468 41.674 42.059 0.138 0.000 0.903 105 L HN 0.471 nan 8.230 nan 0.000 0.435 106 A N -0.445 122.333 122.820 -0.071 0.000 1.877 106 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 106 A C 2.073 179.616 177.584 -0.069 0.000 1.186 106 A CA 1.846 53.841 52.037 -0.070 0.000 0.620 106 A CB -0.583 18.383 19.000 -0.058 0.000 0.822 106 A HN 0.354 nan 8.150 nan 0.000 0.443 107 D N -0.249 120.095 120.400 -0.093 0.000 2.123 107 D HA -0.128 4.511 4.640 -0.000 0.000 0.196 107 D C 2.087 178.303 176.300 -0.140 0.000 0.992 107 D CA 1.732 55.678 54.000 -0.089 0.000 0.833 107 D CB -0.018 40.702 40.800 -0.132 0.000 0.954 107 D HN 0.227 nan 8.370 nan 0.000 0.455 108 V N 1.299 121.073 119.914 -0.234 0.000 2.295 108 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 108 V C 2.697 178.612 176.094 -0.298 0.000 1.049 108 V CA 1.179 63.277 62.300 -0.338 0.000 1.024 108 V CB -0.501 30.987 31.823 -0.558 0.000 0.648 108 V HN 0.194 nan 8.190 nan 0.000 0.447 109 L N -1.551 119.485 121.223 -0.312 0.000 2.083 109 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 109 L C 2.488 179.344 176.870 -0.022 0.000 1.083 109 L CA 1.818 56.443 54.840 -0.359 0.000 0.752 109 L CB -0.548 41.297 42.059 -0.357 0.000 0.899 109 L HN 0.389 nan 8.230 nan 0.000 0.433 110 Y N 1.194 121.420 120.300 -0.123 0.000 2.397 110 Y HA -0.041 4.509 4.550 -0.000 0.000 0.292 110 Y C 1.380 177.261 175.900 -0.031 0.000 1.115 110 Y CA 0.575 58.643 58.100 -0.053 0.000 1.208 110 Y CB 0.383 38.807 38.460 -0.059 0.000 1.046 110 Y HN 0.084 nan 8.280 nan 0.000 0.552 111 K N 0.558 120.864 120.400 -0.158 0.000 3.350 111 K HA 0.233 4.553 4.320 -0.000 0.000 0.167 111 K C -0.830 175.645 176.600 -0.208 0.000 1.058 111 K CA -0.211 55.931 56.287 -0.240 0.000 0.783 111 K CB -0.427 31.895 32.500 -0.297 0.000 0.872 111 K HN 0.086 nan 8.250 nan 0.000 0.561 112 T N -1.437 112.963 114.554 -0.256 0.000 2.832 112 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 112 T C 1.522 175.915 174.700 -0.512 0.000 0.968 112 T CA -0.174 61.639 62.100 -0.478 0.000 1.107 112 T CB 1.795 70.184 68.868 -0.798 0.000 0.916 112 T HN 0.325 nan 8.240 nan 0.000 0.517 113 A N 3.128 125.735 122.820 -0.355 0.000 1.917 113 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 113 A C 1.076 178.599 177.584 -0.102 0.000 1.182 113 A CA 0.825 52.750 52.037 -0.186 0.000 0.633 113 A CB -1.242 17.688 19.000 -0.117 0.000 0.819 113 A HN 1.062 nan 8.150 nan 0.000 0.448 114 F N -1.297 118.529 119.950 -0.208 0.000 2.983 114 F HA -0.165 4.362 4.527 -0.000 0.000 0.288 114 F C 0.208 175.955 175.800 -0.090 0.000 0.980 114 F CA 0.470 58.266 58.000 -0.339 0.000 0.965 114 F CB -1.758 36.956 39.000 -0.477 0.000 0.967 114 F HN 0.110 nan 8.300 nan 0.000 0.800 115 K N 0.599 121.040 120.400 0.068 0.000 2.322 115 K HA 0.174 4.494 4.320 -0.000 0.000 0.283 115 K C -1.355 175.234 176.600 -0.018 0.000 1.042 115 K CA -1.618 54.636 56.287 -0.056 0.000 0.958 115 K CB 0.545 32.848 32.500 -0.328 0.000 0.984 115 K HN -0.037 nan 8.250 nan 0.000 0.473 116 P HA -0.206 nan 4.420 nan 0.000 0.217 116 P C 1.056 178.402 177.300 0.077 0.000 1.148 116 P CA 1.432 64.579 63.100 0.079 0.000 0.834 116 P CB -0.017 31.733 31.700 0.083 0.000 0.783 117 H N -0.953 118.159 119.070 0.070 0.000 2.502 117 H HA 0.116 4.672 4.556 -0.000 0.000 0.283 117 H C 1.294 176.632 175.328 0.017 0.000 1.015 117 H CA 0.745 56.815 56.048 0.036 0.000 1.298 117 H CB -0.450 29.328 29.762 0.026 0.000 1.411 117 H HN 0.205 nan 8.280 nan 0.000 0.556 118 E N 0.654 120.704 120.200 -0.249 0.000 2.208 118 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 118 E C 2.174 178.629 176.600 -0.241 0.000 0.988 118 E CA 0.523 56.816 56.400 -0.177 0.000 0.828 118 E CB 0.155 29.756 29.700 -0.166 0.000 0.763 118 E HN 0.256 nan 8.360 nan 0.000 0.478 119 L N 1.317 122.449 121.223 -0.151 0.000 2.005 119 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 119 L C 2.556 179.350 176.870 -0.126 0.000 1.072 119 L CA 2.391 57.113 54.840 -0.196 0.000 0.744 119 L CB -0.910 41.168 42.059 0.032 0.000 0.895 119 L HN 0.152 nan 8.230 nan 0.000 0.433 120 T N -3.760 110.774 114.554 -0.033 0.000 2.867 120 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 120 T C 1.598 176.293 174.700 -0.008 0.000 1.057 120 T CA 1.494 63.590 62.100 -0.006 0.000 1.136 120 T CB -0.425 68.461 68.868 0.031 0.000 0.874 120 T HN 0.517 nan 8.240 nan 0.000 0.466 121 E N 0.532 120.730 120.200 -0.003 0.000 2.276 121 E HA 0.135 4.485 4.350 -0.000 0.000 0.193 121 E C 1.875 178.457 176.600 -0.031 0.000 0.983 121 E CA 0.679 57.081 56.400 0.003 0.000 0.861 121 E CB 0.333 30.063 29.700 0.051 0.000 0.817 121 E HN 0.502 nan 8.360 nan 0.000 0.485 122 S N -0.504 115.145 115.700 -0.085 0.000 2.931 122 S HA 0.046 4.516 4.470 -0.000 0.000 0.251 122 S C 1.981 176.488 174.600 -0.156 0.000 1.078 122 S CA -0.164 57.972 58.200 -0.106 0.000 0.835 122 S CB 0.310 63.445 63.200 -0.109 0.000 0.798 122 S HN -0.053 nan 8.310 nan 0.000 0.495 123 V N 3.272 123.012 119.914 -0.288 0.000 2.229 123 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 123 V C 2.266 178.240 176.094 -0.201 0.000 1.042 123 V CA 1.723 63.820 62.300 -0.339 0.000 1.000 123 V CB -0.920 30.498 31.823 -0.674 0.000 0.637 123 V HN 0.344 nan 8.190 nan 0.000 0.446 124 L N -0.190 120.933 121.223 -0.168 0.000 2.021 124 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 124 L C 0.144 177.019 176.870 0.007 0.000 1.074 124 L CA 2.130 56.926 54.840 -0.073 0.000 0.760 124 L CB -1.894 40.145 42.059 -0.034 0.000 0.889 124 L HN 0.350 nan 8.230 nan 0.000 0.433 125 P HA -0.193 nan 4.420 nan 0.000 0.214 125 P C 1.524 178.877 177.300 0.089 0.000 1.163 125 P CA 1.900 65.027 63.100 0.045 0.000 0.883 125 P CB -0.050 31.656 31.700 0.009 0.000 0.788 126 A N -0.189 122.663 122.820 0.054 0.000 1.940 126 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 126 A C 2.299 180.007 177.584 0.208 0.000 1.176 126 A CA 2.315 54.428 52.037 0.126 0.000 0.631 126 A CB -1.644 17.393 19.000 0.062 0.000 0.814 126 A HN 0.207 nan 8.150 nan 0.000 0.446 127 A N -0.777 122.098 122.820 0.091 0.000 1.898 127 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 127 A C 2.174 179.941 177.584 0.306 0.000 1.181 127 A CA 1.747 53.845 52.037 0.102 0.000 0.620 127 A CB -0.376 18.523 19.000 -0.167 0.000 0.819 127 A HN 0.411 nan 8.150 nan 0.000 0.442 128 R N -1.559 119.092 120.500 0.252 0.000 2.120 128 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 128 R C 1.937 178.410 176.300 0.288 0.000 1.123 128 R CA 1.730 57.995 56.100 0.275 0.000 0.975 128 R CB -0.735 29.687 30.300 0.204 0.000 0.866 128 R HN 0.749 nan 8.270 nan 0.000 0.446 129 Y N 0.835 121.219 120.300 0.140 0.000 2.263 129 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 129 Y C 1.340 177.311 175.900 0.118 0.000 1.130 129 Y CA 1.507 59.669 58.100 0.102 0.000 1.179 129 Y CB -0.132 38.372 38.460 0.074 0.000 0.998 129 Y HN 0.030 nan 8.280 nan 0.000 0.532 130 D N -0.379 120.043 120.400 0.036 0.000 2.084 130 D HA -0.233 4.407 4.640 -0.000 0.000 0.194 130 D C 1.926 178.219 176.300 -0.011 0.000 0.990 130 D CA 1.783 55.748 54.000 -0.058 0.000 0.826 130 D CB -0.888 40.042 40.800 0.218 0.000 0.971 130 D HN 0.482 nan 8.370 nan 0.000 0.453 131 Y N 1.680 121.994 120.300 0.023 0.000 2.224 131 Y HA -0.151 4.399 4.550 -0.000 0.000 0.289 131 Y C 2.156 178.034 175.900 -0.036 0.000 1.146 131 Y CA 1.351 59.449 58.100 -0.004 0.000 1.182 131 Y CB -0.506 37.984 38.460 0.050 0.000 0.983 131 Y HN -0.057 nan 8.280 nan 0.000 0.524 132 A N -0.558 122.172 122.820 -0.150 0.000 1.877 132 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 132 A C 2.391 179.839 177.584 -0.227 0.000 1.186 132 A CA 2.087 53.992 52.037 -0.219 0.000 0.620 132 A CB -1.333 17.640 19.000 -0.045 0.000 0.822 132 A HN 0.304 nan 8.150 nan 0.000 0.443 133 V N -0.142 119.624 119.914 -0.248 0.000 2.332 133 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 133 V C 3.000 178.983 176.094 -0.186 0.000 1.055 133 V CA 2.055 64.215 62.300 -0.233 0.000 1.038 133 V CB -1.157 30.455 31.823 -0.352 0.000 0.651 133 V HN 0.618 nan 8.190 nan 0.000 0.450 134 A N -0.722 121.978 122.820 -0.200 0.000 2.014 134 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 134 A C 2.210 179.682 177.584 -0.187 0.000 1.163 134 A CA 1.402 53.338 52.037 -0.169 0.000 0.652 134 A CB -0.437 18.487 19.000 -0.128 0.000 0.808 134 A HN 0.607 nan 8.150 nan 0.000 0.449 135 E N -0.521 119.510 120.200 -0.281 0.000 2.478 135 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 135 E C 1.486 178.065 176.600 -0.035 0.000 1.046 135 E CA 0.639 56.885 56.400 -0.258 0.000 0.870 135 E CB -0.022 29.368 29.700 -0.518 0.000 0.818 135 E HN 0.759 nan 8.360 nan 0.000 0.527 136 Q N -0.994 118.787 119.800 -0.031 0.000 2.317 136 Q HA 0.143 4.483 4.340 -0.000 0.000 0.220 136 Q C -0.202 175.857 176.000 0.098 0.000 0.873 136 Q CA -0.163 55.700 55.803 0.100 0.000 0.936 136 Q CB 1.199 29.948 28.738 0.019 0.000 1.105 136 Q HN 0.119 nan 8.270 nan 0.000 0.520 137 C N 2.919 122.183 119.300 -0.060 0.000 2.223 137 C HA 0.345 4.805 4.460 -0.000 0.000 0.324 137 C C -1.206 173.611 174.990 -0.289 0.000 1.196 137 C CA -2.277 56.658 59.018 -0.139 0.000 1.628 137 C CB 0.523 28.176 27.740 -0.144 0.000 2.229 137 C HN 0.338 nan 8.230 nan 0.000 0.486 138 P HA -0.148 nan 4.420 nan 0.000 0.218 138 P C 1.533 178.585 177.300 -0.413 0.000 1.148 138 P CA 2.125 64.840 63.100 -0.642 0.000 0.822 138 P CB -0.175 31.095 31.700 -0.716 0.000 0.784 139 V N -1.248 118.444 119.914 -0.370 0.000 2.407 139 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 139 V C 2.338 178.164 176.094 -0.447 0.000 1.055 139 V CA 1.688 63.696 62.300 -0.486 0.000 1.049 139 V CB -1.662 29.773 31.823 -0.647 0.000 0.662 139 V HN 0.002 nan 8.190 nan 0.000 0.455 140 K N 0.876 121.078 120.400 -0.328 0.000 2.155 140 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 140 K C 2.392 178.900 176.600 -0.154 0.000 1.052 140 K CA 1.412 57.567 56.287 -0.219 0.000 0.948 140 K CB -0.248 32.144 32.500 -0.180 0.000 0.728 140 K HN 0.562 nan 8.250 nan 0.000 0.448 141 S N 1.035 116.617 115.700 -0.198 0.000 2.402 141 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 141 S C 2.026 176.564 174.600 -0.103 0.000 1.021 141 S CA 1.129 59.235 58.200 -0.157 0.000 0.974 141 S CB -0.070 62.975 63.200 -0.259 0.000 0.800 141 S HN 0.399 nan 8.310 nan 0.000 0.484 142 A N 1.701 124.455 122.820 -0.111 0.000 1.843 142 A HA -0.030 4.290 4.320 -0.000 0.000 0.213 142 A C 2.016 179.667 177.584 0.111 0.000 1.202 142 A CA 1.339 53.370 52.037 -0.010 0.000 0.607 142 A CB -0.730 18.288 19.000 0.030 0.000 0.847 142 A HN 0.513 nan 8.150 nan 0.000 0.445 143 E N -0.096 120.199 120.200 0.157 0.000 2.130 143 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 143 E C 1.296 178.059 176.600 0.272 0.000 0.998 143 E CA 1.745 58.324 56.400 0.299 0.000 0.806 143 E CB -0.203 29.639 29.700 0.238 0.000 0.738 143 E HN 0.580 nan 8.360 nan 0.000 0.459 144 D N -0.419 120.050 120.400 0.115 0.000 2.178 144 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 144 D C 1.939 178.313 176.300 0.124 0.000 0.974 144 D CA 0.721 54.773 54.000 0.087 0.000 0.841 144 D CB 0.087 40.897 40.800 0.016 0.000 0.953 144 D HN 0.133 nan 8.370 nan 0.000 0.478 145 Q N -0.262 119.591 119.800 0.089 0.000 2.172 145 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 145 Q C 2.035 178.080 176.000 0.075 0.000 0.964 145 Q CA 0.429 56.267 55.803 0.058 0.000 0.855 145 Q CB -0.191 28.551 28.738 0.007 0.000 0.918 145 Q HN 0.284 nan 8.270 nan 0.000 0.444 146 L N -0.466 120.824 121.223 0.112 0.000 1.976 146 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 146 L C 2.166 179.060 176.870 0.041 0.000 1.071 146 L CA 1.762 56.636 54.840 0.056 0.000 0.746 146 L CB -1.332 40.760 42.059 0.055 0.000 0.890 146 L HN 0.194 nan 8.230 nan 0.000 0.432 147 Y N -0.529 119.806 120.300 0.058 0.000 2.165 147 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 147 Y C 2.470 178.426 175.900 0.093 0.000 1.155 147 Y CA 1.571 59.751 58.100 0.134 0.000 1.164 147 Y CB -0.860 37.727 38.460 0.211 0.000 0.978 147 Y HN 0.214 nan 8.280 nan 0.000 0.513 148 A N 0.253 123.202 122.820 0.215 0.000 1.972 148 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 148 A C 2.160 179.758 177.584 0.024 0.000 1.169 148 A CA 1.909 54.011 52.037 0.109 0.000 0.635 148 A CB -1.171 17.869 19.000 0.068 0.000 0.810 148 A HN 0.648 nan 8.150 nan 0.000 0.446 149 I N -2.743 117.821 120.570 -0.010 0.000 2.867 149 I HA -0.023 4.147 4.170 -0.000 0.000 0.265 149 I C 2.285 178.340 176.117 -0.104 0.000 1.162 149 I CA 1.511 62.770 61.300 -0.069 0.000 1.471 149 I CB -0.955 37.022 38.000 -0.038 0.000 1.123 149 I HN 0.287 nan 8.210 nan 0.000 0.440 150 T N 0.790 115.239 114.554 -0.175 0.000 2.668 150 T HA -0.012 4.338 4.350 -0.000 0.000 0.258 150 T C 0.643 175.226 174.700 -0.194 0.000 1.051 150 T CA 0.772 62.677 62.100 -0.325 0.000 1.155 150 T CB -1.034 67.335 68.868 -0.831 0.000 0.864 150 T HN 0.255 nan 8.240 nan 0.000 0.413 151 F N 2.160 122.209 119.950 0.165 0.000 2.425 151 F HA 0.583 5.110 4.527 -0.000 0.000 0.354 151 F C 1.380 177.237 175.800 0.095 0.000 1.162 151 F CA -1.487 56.623 58.000 0.182 0.000 1.250 151 F CB -0.023 39.055 39.000 0.129 0.000 1.579 151 F HN -0.036 nan 8.300 nan 0.000 0.589 152 R N 1.113 121.691 120.500 0.129 0.000 2.459 152 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 152 R C 1.332 177.655 176.300 0.039 0.000 1.178 152 R CA 1.353 57.435 56.100 -0.029 0.000 1.072 152 R CB -0.073 30.048 30.300 -0.298 0.000 0.829 152 R HN 0.552 nan 8.270 nan 0.000 0.492 153 K N -2.925 117.540 120.400 0.109 0.000 2.313 153 K HA 0.016 4.336 4.320 -0.000 0.000 0.159 153 K C 0.753 177.391 176.600 0.064 0.000 1.815 153 K CA 0.367 56.697 56.287 0.072 0.000 1.013 153 K CB 0.242 32.773 32.500 0.051 0.000 1.728 153 K HN 0.173 nan 8.250 nan 0.000 0.502 154 G N 0.934 109.787 108.800 0.087 0.000 2.600 154 G HA2 0.074 4.034 3.960 -0.000 0.000 0.225 154 G HA3 0.074 4.034 3.960 -0.000 0.000 0.225 154 G C 0.689 175.551 174.900 -0.064 0.000 1.623 154 G CA -0.069 45.026 45.100 -0.009 0.000 0.903 154 G HN 0.033 nan 8.290 nan 0.000 0.574 155 L N 1.917 123.087 121.223 -0.089 0.000 2.591 155 L HA 0.307 4.647 4.340 -0.000 0.000 0.228 155 L C 2.428 179.435 176.870 0.228 0.000 1.133 155 L CA 0.783 55.579 54.840 -0.073 0.000 0.880 155 L CB 0.089 41.962 42.059 -0.309 0.000 1.033 155 L HN 0.323 nan 8.230 nan 0.000 0.450 156 G N -1.396 107.560 108.800 0.260 0.000 3.088 156 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.212 156 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.212 156 G C 0.622 175.590 174.900 0.113 0.000 1.173 156 G CA -0.279 44.975 45.100 0.257 0.000 0.779 156 G HN 0.200 nan 8.290 nan 0.000 0.540 157 N N 1.372 120.104 118.700 0.054 0.000 2.525 157 N HA 0.266 5.006 4.740 -0.000 0.000 0.271 157 N C -2.606 172.899 175.510 -0.008 0.000 1.194 157 N CA -1.526 51.530 53.050 0.011 0.000 0.964 157 N CB 1.063 39.541 38.487 -0.014 0.000 1.126 157 N HN -0.082 nan 8.380 nan 0.000 0.452 158 P HA -0.027 nan 4.420 nan 0.000 0.263 158 P C 0.822 178.099 177.300 -0.038 0.000 1.195 158 P CA -0.165 62.919 63.100 -0.027 0.000 0.762 158 P CB 0.554 32.234 31.700 -0.035 0.000 0.799 159 L N 5.145 126.334 121.223 -0.056 0.000 2.072 159 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 159 L C 0.508 177.326 176.870 -0.087 0.000 1.079 159 L CA 1.806 56.602 54.840 -0.074 0.000 0.752 159 L CB -0.310 41.687 42.059 -0.102 0.000 0.906 159 L HN 0.250 nan 8.230 nan 0.000 0.436 160 L N -2.145 119.020 121.223 -0.097 0.000 2.313 160 L HA 0.242 4.582 4.340 -0.000 0.000 0.268 160 L C -0.780 176.130 176.870 0.066 0.000 1.010 160 L CA -1.096 53.657 54.840 -0.145 0.000 0.814 160 L CB 1.136 43.070 42.059 -0.207 0.000 1.304 160 L HN -0.084 nan 8.230 nan 0.000 0.441 161 Y N 1.168 121.604 120.300 0.226 0.000 2.319 161 Y HA 0.122 4.672 4.550 -0.000 0.000 0.328 161 Y C 0.135 175.911 175.900 -0.206 0.000 1.133 161 Y CA 0.049 58.182 58.100 0.055 0.000 1.265 161 Y CB 0.864 39.383 38.460 0.098 0.000 1.218 161 Y HN 0.722 nan 8.280 nan 0.000 0.508 162 D N 1.873 121.649 120.400 -1.040 0.000 2.530 162 D HA 0.159 4.799 4.640 -0.000 0.000 0.253 162 D C 1.068 176.817 176.300 -0.917 0.000 1.338 162 D CA 0.274 53.617 54.000 -1.093 0.000 0.806 162 D CB 0.117 40.234 40.800 -1.139 0.000 1.160 162 D HN 0.886 nan 8.370 nan 0.000 0.514 163 G N 0.785 108.830 108.800 -1.258 0.000 2.155 163 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 163 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 163 G C 1.272 176.022 174.900 -0.251 0.000 0.983 163 G CA 1.025 45.770 45.100 -0.591 0.000 0.676 163 G HN 0.925 nan 8.290 nan 0.000 0.528 164 V N -1.687 118.083 119.914 -0.240 0.000 2.407 164 V HA 0.176 4.296 4.120 -0.000 0.000 0.248 164 V C 0.988 177.044 176.094 -0.064 0.000 1.055 164 V CA 2.210 64.435 62.300 -0.124 0.000 1.049 164 V CB -0.470 31.287 31.823 -0.111 0.000 0.662 164 V HN 0.964 nan 8.190 nan 0.000 0.455 165 E N 0.181 120.355 120.200 -0.043 0.000 2.266 165 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 165 E C -0.789 175.838 176.600 0.045 0.000 0.879 165 E CA -1.219 55.181 56.400 -0.000 0.000 0.762 165 E CB 1.434 31.135 29.700 0.001 0.000 1.199 165 E HN 0.155 nan 8.360 nan 0.000 0.422 166 R N 1.264 121.789 120.500 0.043 0.000 2.697 166 R HA 0.173 4.513 4.340 -0.000 0.000 0.265 166 R C -0.384 175.958 176.300 0.070 0.000 1.009 166 R CA -0.175 55.962 56.100 0.062 0.000 1.099 166 R CB 0.147 30.467 30.300 0.033 0.000 0.965 166 R HN 0.448 nan 8.270 nan 0.000 0.428 167 V N 1.810 121.768 119.914 0.072 0.000 2.555 167 V HA 0.100 4.220 4.120 -0.000 0.000 0.283 167 V C 0.217 176.296 176.094 -0.024 0.000 1.020 167 V CA -0.745 61.562 62.300 0.012 0.000 0.883 167 V CB 1.523 33.335 31.823 -0.019 0.000 1.030 167 V HN 0.979 nan 8.190 nan 0.000 0.448 168 S N 4.613 120.299 115.700 -0.023 0.000 2.686 168 S HA 0.507 4.977 4.470 -0.000 0.000 0.270 168 S C 1.161 175.739 174.600 -0.036 0.000 1.194 168 S CA -0.573 57.614 58.200 -0.022 0.000 0.990 168 S CB 1.294 64.483 63.200 -0.019 0.000 1.029 168 S HN 0.567 nan 8.310 nan 0.000 0.560 169 L N 0.038 121.250 121.223 -0.019 0.000 2.093 169 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 169 L C 2.784 179.580 176.870 -0.123 0.000 1.085 169 L CA 1.833 56.661 54.840 -0.020 0.000 0.755 169 L CB -0.607 41.462 42.059 0.018 0.000 0.904 169 L HN 0.871 nan 8.230 nan 0.000 0.435 170 Q N 0.249 119.987 119.800 -0.103 0.000 2.079 170 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 170 Q C 1.687 177.603 176.000 -0.139 0.000 0.974 170 Q CA 1.932 57.656 55.803 -0.132 0.000 0.840 170 Q CB -0.109 28.579 28.738 -0.083 0.000 0.898 170 Q HN 0.433 nan 8.270 nan 0.000 0.430 171 D N -0.326 120.017 120.400 -0.095 0.000 2.182 171 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 171 D C 1.688 177.936 176.300 -0.088 0.000 0.986 171 D CA 1.073 55.030 54.000 -0.072 0.000 0.847 171 D CB -0.065 40.705 40.800 -0.051 0.000 0.942 171 D HN 0.406 nan 8.370 nan 0.000 0.467 172 I N 0.298 120.783 120.570 -0.141 0.000 2.617 172 I HA -0.145 4.025 4.170 -0.000 0.000 0.256 172 I C 2.309 178.211 176.117 -0.359 0.000 1.167 172 I CA 0.696 61.896 61.300 -0.168 0.000 1.469 172 I CB -0.006 37.920 38.000 -0.122 0.000 1.098 172 I HN -0.115 nan 8.210 nan 0.000 0.436 173 K N 0.704 120.811 120.400 -0.489 0.000 2.076 173 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 173 K C 1.655 178.052 176.600 -0.338 0.000 1.051 173 K CA 1.196 57.096 56.287 -0.644 0.000 0.949 173 K CB 0.041 32.193 32.500 -0.580 0.000 0.726 173 K HN 0.180 nan 8.250 nan 0.000 0.443 174 D N 0.479 120.760 120.400 -0.198 0.000 2.092 174 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 174 D C 1.602 177.845 176.300 -0.095 0.000 0.994 174 D CA 1.055 54.984 54.000 -0.117 0.000 0.828 174 D CB -0.310 40.454 40.800 -0.060 0.000 0.963 174 D HN 0.090 nan 8.370 nan 0.000 0.450 175 F N 1.383 121.218 119.950 -0.191 0.000 2.269 175 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 175 F C 2.128 177.767 175.800 -0.269 0.000 1.082 175 F CA 1.110 59.001 58.000 -0.181 0.000 1.360 175 F CB -0.003 38.912 39.000 -0.142 0.000 1.041 175 F HN -0.080 nan 8.300 nan 0.000 0.512 176 A N -0.249 122.410 122.820 -0.269 0.000 1.897 176 A HA -0.134 4.185 4.320 -0.000 0.000 0.215 176 A C 2.024 179.394 177.584 -0.356 0.000 1.181 176 A CA 1.674 53.445 52.037 -0.443 0.000 0.620 176 A CB -0.821 18.040 19.000 -0.232 0.000 0.821 176 A HN 0.354 nan 8.150 nan 0.000 0.443 177 D N 0.115 120.377 120.400 -0.230 0.000 2.123 177 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 177 D C 1.931 178.127 176.300 -0.173 0.000 0.992 177 D CA 1.406 55.321 54.000 -0.142 0.000 0.833 177 D CB -0.196 40.533 40.800 -0.118 0.000 0.954 177 D HN 0.498 nan 8.370 nan 0.000 0.455 178 K N 0.350 120.588 120.400 -0.270 0.000 1.973 178 K HA -0.059 4.261 4.320 -0.000 0.000 0.210 178 K C 2.286 178.683 176.600 -0.337 0.000 1.045 178 K CA 0.763 56.876 56.287 -0.290 0.000 0.937 178 K CB -0.384 31.908 32.500 -0.347 0.000 0.721 178 K HN -0.041 nan 8.250 nan 0.000 0.438 179 V N 0.849 120.424 119.914 -0.565 0.000 2.332 179 V HA -0.221 3.898 4.120 -0.000 0.000 0.248 179 V C 1.115 177.119 176.094 -0.149 0.000 1.055 179 V CA 1.380 63.384 62.300 -0.492 0.000 1.038 179 V CB -0.553 30.794 31.823 -0.793 0.000 0.651 179 V HN 0.280 nan 8.190 nan 0.000 0.450 180 Y N 1.787 122.003 120.300 -0.140 0.000 2.632 180 Y HA 0.382 4.932 4.550 -0.000 0.000 0.336 180 Y C 0.718 176.591 175.900 -0.044 0.000 1.237 180 Y CA -0.587 57.477 58.100 -0.060 0.000 1.595 180 Y CB -0.054 38.395 38.460 -0.018 0.000 1.508 180 Y HN 0.309 nan 8.280 nan 0.000 0.480 181 T N -2.854 111.760 114.554 0.100 0.000 2.883 181 T HA 0.296 4.646 4.350 -0.000 0.000 0.301 181 T C 0.534 175.249 174.700 0.025 0.000 1.158 181 T CA -1.218 60.905 62.100 0.039 0.000 1.007 181 T CB 2.064 70.927 68.868 -0.008 0.000 1.186 181 T HN 0.363 nan 8.240 nan 0.000 0.499 182 K N 0.033 120.437 120.400 0.006 0.000 2.209 182 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 182 K C 1.276 177.880 176.600 0.006 0.000 1.048 182 K CA 0.995 57.283 56.287 0.003 0.000 0.940 182 K CB 0.081 32.575 32.500 -0.011 0.000 0.729 182 K HN 0.530 nan 8.250 nan 0.000 0.451 183 E N 0.379 120.576 120.200 -0.006 0.000 2.465 183 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 183 E C 0.480 177.068 176.600 -0.021 0.000 1.053 183 E CA 0.320 56.712 56.400 -0.014 0.000 0.869 183 E CB 0.276 29.958 29.700 -0.029 0.000 0.977 183 E HN 0.162 nan 8.360 nan 0.000 0.483 184 N N 0.138 118.837 118.700 -0.001 0.000 2.143 184 N HA 0.068 4.808 4.740 -0.000 0.000 0.222 184 N C -0.445 175.126 175.510 0.102 0.000 1.264 184 N CA 0.023 53.077 53.050 0.006 0.000 0.897 184 N CB 0.656 39.102 38.487 -0.068 0.000 1.092 184 N HN 0.028 nan 8.380 nan 0.000 0.516 185 L N -1.742 119.537 121.223 0.093 0.000 2.257 185 L HA 0.807 5.147 4.340 -0.000 0.000 0.257 185 L C -1.003 175.932 176.870 0.108 0.000 1.033 185 L CA -0.727 54.175 54.840 0.104 0.000 0.835 185 L CB 1.688 43.794 42.059 0.079 0.000 1.398 185 L HN -0.152 nan 8.230 nan 0.000 0.429 186 E N 0.058 120.324 120.200 0.110 0.000 2.313 186 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 186 E C -1.511 175.147 176.600 0.098 0.000 0.898 186 E CA -0.737 55.729 56.400 0.109 0.000 0.803 186 E CB 2.365 32.152 29.700 0.145 0.000 1.286 186 E HN 0.461 nan 8.360 nan 0.000 0.401 187 V N 2.059 122.022 119.914 0.081 0.000 2.686 187 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 187 V C 0.128 176.272 176.094 0.083 0.000 1.055 187 V CA 0.080 62.430 62.300 0.083 0.000 1.050 187 V CB 1.440 33.309 31.823 0.077 0.000 0.984 187 V HN 0.643 nan 8.190 nan 0.000 0.482 188 S N 3.059 118.810 115.700 0.086 0.000 2.720 188 S HA 0.660 5.130 4.470 -0.000 0.000 0.278 188 S C -0.378 174.268 174.600 0.076 0.000 1.172 188 S CA -0.103 58.140 58.200 0.072 0.000 1.019 188 S CB 1.086 64.322 63.200 0.059 0.000 1.049 188 S HN 1.154 nan 8.310 nan 0.000 0.483 189 G N 2.792 111.635 108.800 0.073 0.000 2.502 189 G HA2 0.537 4.497 3.960 -0.000 0.000 0.311 189 G HA3 0.537 4.497 3.960 -0.000 0.000 0.311 189 G C -0.973 173.948 174.900 0.035 0.000 1.270 189 G CA -0.471 44.675 45.100 0.077 0.000 0.948 189 G HN 0.579 nan 8.290 nan 0.000 0.487 190 E N 2.092 122.291 120.200 -0.002 0.000 2.227 190 E HA 0.252 4.602 4.350 -0.000 0.000 0.282 190 E C 0.893 177.455 176.600 -0.063 0.000 1.015 190 E CA -0.304 56.076 56.400 -0.034 0.000 0.823 190 E CB 0.409 30.076 29.700 -0.056 0.000 1.081 190 E HN 0.540 nan 8.360 nan 0.000 0.396 191 N N 2.597 121.269 118.700 -0.046 0.000 2.780 191 N HA -0.141 4.599 4.740 -0.000 0.000 0.248 191 N C -1.518 173.978 175.510 -0.024 0.000 1.102 191 N CA 0.750 53.768 53.050 -0.052 0.000 0.697 191 N CB -0.632 37.794 38.487 -0.101 0.000 1.028 191 N HN 0.189 nan 8.380 nan 0.000 0.554 192 V N 0.794 120.718 119.914 0.017 0.000 2.823 192 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 192 V C 0.577 176.709 176.094 0.064 0.000 1.072 192 V CA -0.985 61.356 62.300 0.068 0.000 0.937 192 V CB 2.144 34.035 31.823 0.113 0.000 1.013 192 V HN 0.094 nan 8.190 nan 0.000 0.430 193 V N 0.786 120.747 119.914 0.078 0.000 2.397 193 V HA 0.277 4.397 4.120 -0.000 0.000 0.262 193 V C 1.246 177.373 176.094 0.054 0.000 1.047 193 V CA 0.156 62.490 62.300 0.057 0.000 1.003 193 V CB 0.201 32.057 31.823 0.055 0.000 1.037 193 V HN 1.032 nan 8.190 nan 0.000 0.480 194 E N 4.227 124.450 120.200 0.038 0.000 2.147 194 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 194 E C 2.081 178.687 176.600 0.011 0.000 1.005 194 E CA 1.928 58.347 56.400 0.031 0.000 0.810 194 E CB -0.005 29.708 29.700 0.023 0.000 0.736 194 E HN 0.977 nan 8.360 nan 0.000 0.460 195 A N 1.247 124.064 122.820 -0.005 0.000 1.865 195 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 195 A C 1.928 179.460 177.584 -0.086 0.000 1.191 195 A CA 1.977 53.991 52.037 -0.037 0.000 0.623 195 A CB -0.590 18.389 19.000 -0.035 0.000 0.826 195 A HN 0.293 nan 8.150 nan 0.000 0.444 196 D N -0.625 119.728 120.400 -0.078 0.000 2.144 196 D HA -0.096 4.543 4.640 -0.000 0.000 0.200 196 D C 1.888 178.121 176.300 -0.112 0.000 0.978 196 D CA 1.185 55.072 54.000 -0.188 0.000 0.833 196 D CB -0.320 40.477 40.800 -0.005 0.000 0.961 196 D HN 0.316 nan 8.370 nan 0.000 0.470 197 L N 1.662 122.925 121.223 0.068 0.000 1.994 197 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 197 L C 2.017 178.936 176.870 0.082 0.000 1.071 197 L CA 1.834 56.762 54.840 0.147 0.000 0.745 197 L CB -0.380 41.757 42.059 0.130 0.000 0.892 197 L HN -0.171 nan 8.230 nan 0.000 0.431 198 K N -0.894 119.516 120.400 0.016 0.000 2.097 198 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 198 K C 2.283 178.861 176.600 -0.036 0.000 1.049 198 K CA 1.566 57.853 56.287 0.000 0.000 0.933 198 K CB -0.261 32.232 32.500 -0.011 0.000 0.717 198 K HN 0.328 nan 8.250 nan 0.000 0.442 199 R N 0.527 120.948 120.500 -0.132 0.000 2.073 199 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 199 R C 1.999 178.200 176.300 -0.165 0.000 1.134 199 R CA 1.579 57.543 56.100 -0.226 0.000 0.952 199 R CB -0.272 29.767 30.300 -0.435 0.000 0.850 199 R HN 0.159 nan 8.270 nan 0.000 0.433 200 F N -0.009 119.951 119.950 0.017 0.000 2.206 200 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 200 F C 2.361 178.163 175.800 0.003 0.000 1.090 200 F CA 0.365 58.373 58.000 0.012 0.000 1.323 200 F CB 0.020 39.034 39.000 0.024 0.000 1.028 200 F HN -0.140 nan 8.300 nan 0.000 0.492 201 V N -0.097 119.924 119.914 0.178 0.000 2.407 201 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 201 V C 1.726 177.851 176.094 0.052 0.000 1.055 201 V CA 1.952 64.310 62.300 0.097 0.000 1.049 201 V CB -0.452 31.415 31.823 0.072 0.000 0.662 201 V HN 0.336 nan 8.190 nan 0.000 0.455 202 D N -0.651 119.772 120.400 0.039 0.000 2.234 202 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 202 D C 2.047 178.357 176.300 0.017 0.000 0.962 202 D CA 0.829 54.836 54.000 0.011 0.000 0.855 202 D CB 0.144 40.941 40.800 -0.004 0.000 0.951 202 D HN 0.551 nan 8.370 nan 0.000 0.500 203 E N 1.009 121.241 120.200 0.054 0.000 2.481 203 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 203 E C 0.973 177.608 176.600 0.058 0.000 1.047 203 E CA -0.080 56.362 56.400 0.070 0.000 0.867 203 E CB 0.385 30.171 29.700 0.144 0.000 0.858 203 E HN 0.153 nan 8.360 nan 0.000 0.513 204 S N -0.820 114.907 115.700 0.045 0.000 2.495 204 S HA 0.142 4.612 4.470 -0.000 0.000 0.273 204 S C 0.831 175.402 174.600 -0.047 0.000 1.156 204 S CA -0.598 57.604 58.200 0.004 0.000 1.032 204 S CB 0.390 63.594 63.200 0.007 0.000 1.160 204 S HN 0.100 nan 8.310 nan 0.000 0.489 205 L N 0.755 121.932 121.223 -0.077 0.000 2.592 205 L HA 0.306 4.646 4.340 -0.000 0.000 0.227 205 L C 1.910 178.660 176.870 -0.201 0.000 1.127 205 L CA 0.304 55.043 54.840 -0.168 0.000 0.884 205 L CB -0.664 41.309 42.059 -0.143 0.000 1.065 205 L HN 0.522 nan 8.230 nan 0.000 0.457 206 L N -0.091 121.067 121.223 -0.108 0.000 2.012 206 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 206 L C 2.600 179.409 176.870 -0.102 0.000 1.073 206 L CA 2.245 57.034 54.840 -0.086 0.000 0.748 206 L CB -1.238 40.801 42.059 -0.033 0.000 0.891 206 L HN 0.518 nan 8.230 nan 0.000 0.431 207 S N -2.529 113.116 115.700 -0.091 0.000 2.474 207 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 207 S C 1.680 176.204 174.600 -0.125 0.000 0.997 207 S CA 1.250 59.400 58.200 -0.084 0.000 0.949 207 S CB -0.571 62.595 63.200 -0.057 0.000 0.766 207 S HN 0.405 nan 8.310 nan 0.000 0.517 208 T N 2.089 116.515 114.554 -0.215 0.000 3.067 208 T HA 0.291 4.641 4.350 -0.000 0.000 0.261 208 T C 0.553 175.066 174.700 -0.311 0.000 1.110 208 T CA -0.027 61.897 62.100 -0.295 0.000 1.113 208 T CB -0.373 68.212 68.868 -0.472 0.000 0.917 208 T HN 0.345 nan 8.240 nan 0.000 0.499 209 L N 4.119 125.183 121.223 -0.265 0.000 2.584 209 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 209 L C -1.715 175.128 176.870 -0.044 0.000 1.195 209 L CA -1.455 53.312 54.840 -0.120 0.000 0.920 209 L CB -0.017 42.009 42.059 -0.054 0.000 1.173 209 L HN -0.028 nan 8.230 nan 0.000 0.489 210 P HA -0.017 nan 4.420 nan 0.000 0.257 210 P C -0.288 177.011 177.300 -0.001 0.000 1.359 210 P CA -0.205 62.900 63.100 0.009 0.000 1.239 210 P CB 0.252 31.973 31.700 0.035 0.000 1.549 211 A N 3.934 126.746 122.820 -0.013 0.000 2.507 211 A HA 0.347 4.667 4.320 -0.000 0.000 0.281 211 A C 1.345 178.916 177.584 -0.022 0.000 1.154 211 A CA 0.371 52.399 52.037 -0.016 0.000 0.828 211 A CB -0.592 18.398 19.000 -0.018 0.000 1.069 211 A HN 0.541 nan 8.150 nan 0.000 0.522 212 G N 2.321 111.104 108.800 -0.029 0.000 3.229 212 G HA2 0.382 4.342 3.960 -0.000 0.000 0.165 212 G HA3 0.382 4.342 3.960 -0.000 0.000 0.165 212 G C 0.251 175.122 174.900 -0.048 0.000 1.753 212 G CA -0.441 44.634 45.100 -0.041 0.000 1.054 212 G HN 0.681 nan 8.290 nan 0.000 0.544 213 K N -0.596 119.765 120.400 -0.066 0.000 2.185 213 K HA 0.540 4.860 4.320 -0.000 0.000 0.240 213 K C -0.834 175.704 176.600 -0.103 0.000 0.983 213 K CA -0.401 55.842 56.287 -0.073 0.000 0.873 213 K CB 1.837 34.295 32.500 -0.070 0.000 1.118 213 K HN 0.302 nan 8.250 nan 0.000 0.441 214 S N 1.310 116.944 115.700 -0.110 0.000 2.429 214 S HA 0.232 4.701 4.470 -0.000 0.000 0.302 214 S C 0.460 174.945 174.600 -0.191 0.000 1.115 214 S CA -0.659 57.444 58.200 -0.162 0.000 1.095 214 S CB 0.302 63.416 63.200 -0.143 0.000 0.987 214 S HN 0.581 nan 8.310 nan 0.000 0.474 215 L N 5.342 126.393 121.223 -0.287 0.000 2.627 215 L HA 0.257 4.597 4.340 -0.000 0.000 0.233 215 L C -0.100 176.676 176.870 -0.157 0.000 1.144 215 L CA -0.003 54.690 54.840 -0.245 0.000 0.892 215 L CB 0.293 42.131 42.059 -0.369 0.000 1.039 215 L HN 0.530 nan 8.230 nan 0.000 0.442 216 V N 0.230 119.997 119.914 -0.245 0.000 2.324 216 V HA -0.026 4.094 4.120 -0.000 0.000 0.244 216 V C 0.847 176.908 176.094 -0.056 0.000 1.144 216 V CA 0.190 62.391 62.300 -0.165 0.000 1.158 216 V CB -0.046 31.567 31.823 -0.349 0.000 1.254 216 V HN 0.230 nan 8.190 nan 0.000 0.492 217 S N 3.378 119.087 115.700 0.015 0.000 2.545 217 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 217 S C 1.115 175.720 174.600 0.008 0.000 1.299 217 S CA -0.517 57.688 58.200 0.007 0.000 1.048 217 S CB 0.947 64.158 63.200 0.019 0.000 0.938 217 S HN 0.832 nan 8.310 nan 0.000 0.496 218 K N 2.787 123.190 120.400 0.005 0.000 2.314 218 K HA 0.048 4.368 4.320 -0.000 0.000 0.198 218 K C 0.493 177.102 176.600 0.015 0.000 1.045 218 K CA 0.317 56.613 56.287 0.015 0.000 0.988 218 K CB -0.124 32.385 32.500 0.015 0.000 0.783 218 K HN 0.718 nan 8.250 nan 0.000 0.484 219 S N 1.857 117.559 115.700 0.004 0.000 2.525 219 S HA 0.020 4.490 4.470 -0.000 0.000 0.285 219 S C -0.421 174.175 174.600 -0.006 0.000 1.283 219 S CA -0.514 57.684 58.200 -0.003 0.000 1.072 219 S CB 0.534 63.727 63.200 -0.012 0.000 0.867 219 S HN 0.179 nan 8.310 nan 0.000 0.492 220 E N 3.530 123.729 120.200 -0.002 0.000 2.502 220 E HA 0.083 4.433 4.350 -0.000 0.000 0.261 220 E C -2.104 174.481 176.600 -0.026 0.000 0.974 220 E CA -0.994 55.413 56.400 0.011 0.000 0.936 220 E CB -0.253 29.465 29.700 0.029 0.000 0.926 220 E HN 0.512 nan 8.360 nan 0.000 0.459 221 P HA -0.037 nan 4.420 nan 0.000 0.268 221 P C -0.690 176.616 177.300 0.010 0.000 1.204 221 P CA 0.085 63.197 63.100 0.020 0.000 0.768 221 P CB 0.430 32.106 31.700 -0.039 0.000 0.842 222 K N 4.689 125.081 120.400 -0.013 0.000 2.166 222 K HA 0.116 4.436 4.320 -0.000 0.000 0.273 222 K C -0.295 176.306 176.600 0.002 0.000 1.095 222 K CA -0.336 55.854 56.287 -0.163 0.000 0.985 222 K CB -0.638 31.796 32.500 -0.109 0.000 1.172 222 K HN 0.322 nan 8.250 nan 0.000 0.401 223 F N 1.915 121.942 119.950 0.129 0.000 2.370 223 F HA 0.532 5.059 4.527 -0.000 0.000 0.319 223 F C -0.362 175.400 175.800 -0.063 0.000 1.129 223 F CA -1.129 56.970 58.000 0.166 0.000 1.109 223 F CB 0.186 39.256 39.000 0.117 0.000 1.262 223 F HN 0.050 nan 8.300 nan 0.000 0.534 224 F N 0.445 120.530 119.950 0.224 0.000 2.613 224 F HA 0.820 5.347 4.527 -0.000 0.000 0.342 224 F C -0.358 175.498 175.800 0.095 0.000 1.066 224 F CA -1.217 56.859 58.000 0.127 0.000 1.002 224 F CB 1.591 40.624 39.000 0.054 0.000 1.319 224 F HN 0.339 nan 8.300 nan 0.000 0.495 225 L N -0.602 120.769 121.223 0.246 0.000 2.469 225 L HA 0.597 4.936 4.340 -0.000 0.000 0.256 225 L C 0.303 177.229 176.870 0.092 0.000 1.006 225 L CA -0.873 54.043 54.840 0.127 0.000 0.832 225 L CB 2.224 44.333 42.059 0.083 0.000 1.421 225 L HN 0.756 nan 8.230 nan 0.000 0.410 226 G N 0.549 109.370 108.800 0.034 0.000 2.198 226 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 226 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 226 G C -0.068 174.868 174.900 0.061 0.000 1.025 226 G CA -0.052 45.050 45.100 0.003 0.000 0.769 226 G HN 0.480 nan 8.290 nan 0.000 0.507 227 E N 0.372 120.628 120.200 0.093 0.000 2.214 227 E HA 0.558 4.908 4.350 -0.000 0.000 0.274 227 E C 0.405 177.078 176.600 0.122 0.000 0.977 227 E CA -0.225 56.229 56.400 0.091 0.000 0.827 227 E CB 1.568 31.306 29.700 0.063 0.000 1.130 227 E HN 0.808 nan 8.360 nan 0.000 0.394 228 E N 1.599 121.869 120.200 0.117 0.000 2.366 228 E HA 0.547 4.897 4.350 -0.000 0.000 0.278 228 E C -1.086 175.558 176.600 0.075 0.000 0.923 228 E CA -0.966 55.520 56.400 0.142 0.000 0.761 228 E CB 1.773 31.633 29.700 0.268 0.000 1.231 228 E HN 0.126 nan 8.360 nan 0.000 0.443 229 N N 0.957 119.666 118.700 0.015 0.000 2.264 229 N HA 0.421 5.161 4.740 -0.000 0.000 0.288 229 N C -1.768 173.698 175.510 -0.074 0.000 1.094 229 N CA -0.722 52.319 53.050 -0.015 0.000 0.817 229 N CB 1.989 40.464 38.487 -0.020 0.000 1.604 229 N HN 0.549 nan 8.380 nan 0.000 0.473 230 R N 1.283 121.753 120.500 -0.051 0.000 2.480 230 R HA 0.652 4.992 4.340 -0.000 0.000 0.306 230 R C -1.055 175.220 176.300 -0.041 0.000 0.958 230 R CA -0.904 55.148 56.100 -0.080 0.000 0.861 230 R CB 1.844 32.095 30.300 -0.082 0.000 1.171 230 R HN 0.144 nan 8.270 nan 0.000 0.445 231 V N 3.580 123.467 119.914 -0.045 0.000 2.483 231 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 231 V C 0.133 176.246 176.094 0.033 0.000 1.027 231 V CA -1.082 61.217 62.300 -0.003 0.000 0.855 231 V CB 1.714 33.533 31.823 -0.006 0.000 0.995 231 V HN 0.689 nan 8.190 nan 0.000 0.424 232 R N 3.657 124.190 120.500 0.056 0.000 2.491 232 R HA 0.554 4.893 4.340 -0.000 0.000 0.283 232 R C -0.957 175.446 176.300 0.172 0.000 1.072 232 R CA 0.032 56.181 56.100 0.081 0.000 1.048 232 R CB 0.613 30.942 30.300 0.049 0.000 0.983 232 R HN 0.617 nan 8.270 nan 0.000 0.450 233 F N 2.187 122.119 119.950 -0.029 0.000 2.641 233 F HA 0.403 4.930 4.527 -0.000 0.000 0.308 233 F C -1.219 174.564 175.800 -0.029 0.000 1.105 233 F CA -0.980 57.000 58.000 -0.033 0.000 0.964 233 F CB 1.459 40.434 39.000 -0.042 0.000 1.294 233 F HN 0.314 nan 8.300 nan 0.000 0.442 234 I N 5.800 125.953 120.570 -0.696 0.000 2.307 234 I HA 0.663 4.833 4.170 -0.000 0.000 0.287 234 I C 0.342 176.104 176.117 -0.592 0.000 1.054 234 I CA 0.131 61.146 61.300 -0.475 0.000 1.218 234 I CB 0.305 38.083 38.000 -0.369 0.000 1.398 234 I HN 0.841 nan 8.210 nan 0.000 0.475 235 G N 4.920 113.647 108.800 -0.123 0.000 2.564 235 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.139 235 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.139 235 G C -1.610 173.407 174.900 0.194 0.000 1.147 235 G CA -0.680 44.471 45.100 0.085 0.000 1.031 235 G HN 0.326 nan 8.290 nan 0.000 0.482 236 D N 1.003 121.541 120.400 0.230 0.000 2.341 236 D HA 0.593 5.233 4.640 -0.000 0.000 0.245 236 D C 0.264 176.626 176.300 0.103 0.000 1.106 236 D CA 0.306 54.376 54.000 0.117 0.000 0.905 236 D CB 1.501 42.335 40.800 0.056 0.000 1.202 236 D HN 0.281 nan 8.370 nan 0.000 0.426 237 S N 0.305 116.040 115.700 0.058 0.000 2.562 237 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 237 S C -0.457 174.138 174.600 -0.008 0.000 1.281 237 S CA -0.696 57.523 58.200 0.031 0.000 1.045 237 S CB 1.465 64.686 63.200 0.036 0.000 0.962 237 S HN 0.264 nan 8.310 nan 0.000 0.503 238 V N 1.982 121.872 119.914 -0.040 0.000 2.733 238 V HA 0.807 4.927 4.120 -0.000 0.000 0.306 238 V C -1.159 174.909 176.094 -0.043 0.000 1.084 238 V CA -0.537 61.741 62.300 -0.037 0.000 0.905 238 V CB 1.645 33.422 31.823 -0.076 0.000 1.010 238 V HN 1.001 nan 8.190 nan 0.000 0.424 239 A N 5.313 128.134 122.820 0.002 0.000 2.330 239 A HA 1.031 5.351 4.320 -0.000 0.000 0.313 239 A C -0.270 177.325 177.584 0.018 0.000 1.124 239 A CA 0.054 52.083 52.037 -0.015 0.000 0.774 239 A CB 1.558 20.635 19.000 0.128 0.000 1.198 239 A HN 2.077 nan 8.150 nan 0.000 0.465 240 A N 2.181 124.962 122.820 -0.065 0.000 2.498 240 A HA 0.811 5.131 4.320 -0.000 0.000 0.298 240 A C -0.584 176.948 177.584 -0.087 0.000 1.075 240 A CA -0.503 51.492 52.037 -0.071 0.000 0.714 240 A CB 0.970 19.980 19.000 0.018 0.000 1.299 240 A HN 1.649 nan 8.150 nan 0.000 0.407 241 I N -0.687 119.781 120.570 -0.170 0.000 2.474 241 I HA 0.878 5.048 4.170 -0.000 0.000 0.294 241 I C 0.089 176.115 176.117 -0.152 0.000 1.005 241 I CA -0.871 60.341 61.300 -0.147 0.000 1.113 241 I CB 2.317 40.079 38.000 -0.397 0.000 1.289 241 I HN 0.654 nan 8.210 nan 0.000 0.436 242 G N 6.676 115.454 108.800 -0.035 0.000 2.544 242 G HA2 0.730 4.690 3.960 -0.000 0.000 0.313 242 G HA3 0.730 4.690 3.960 -0.000 0.000 0.313 242 G C -1.025 173.895 174.900 0.033 0.000 1.316 242 G CA -0.663 44.407 45.100 -0.052 0.000 0.944 242 G HN 0.632 nan 8.290 nan 0.000 0.489 243 I N 3.109 123.714 120.570 0.058 0.000 2.439 243 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 243 I C -2.474 173.539 176.117 -0.173 0.000 1.021 243 I CA -2.296 59.027 61.300 0.038 0.000 1.091 243 I CB 3.160 41.293 38.000 0.223 0.000 1.242 243 I HN 0.200 nan 8.210 nan 0.000 0.439 244 P HA 0.098 nan 4.420 nan 0.000 0.276 244 P C -0.440 176.506 177.300 -0.591 0.000 1.243 244 P CA -0.158 62.589 63.100 -0.588 0.000 0.768 244 P CB 0.828 31.782 31.700 -1.243 0.000 0.856 245 V N 1.523 121.188 119.914 -0.414 0.000 3.093 245 V HA 0.533 4.653 4.120 -0.000 0.000 0.320 245 V C -0.022 176.003 176.094 -0.116 0.000 1.093 245 V CA -0.855 61.209 62.300 -0.393 0.000 1.016 245 V CB 1.753 33.256 31.823 -0.533 0.000 1.096 245 V HN 0.321 nan 8.190 nan 0.000 0.452 246 N N 0.847 119.527 118.700 -0.033 0.000 2.434 246 N HA 0.299 5.039 4.740 -0.000 0.000 0.266 246 N C 0.518 176.077 175.510 0.081 0.000 1.223 246 N CA -0.636 52.467 53.050 0.088 0.000 0.972 246 N CB 1.314 39.861 38.487 0.101 0.000 1.207 246 N HN 0.643 nan 8.380 nan 0.000 0.525 247 K N 0.463 120.925 120.400 0.103 0.000 2.209 247 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 247 K C 1.322 177.967 176.600 0.076 0.000 1.048 247 K CA 1.255 57.597 56.287 0.093 0.000 0.940 247 K CB 0.046 32.600 32.500 0.090 0.000 0.729 247 K HN 0.514 nan 8.250 nan 0.000 0.451 248 A N 0.012 122.873 122.820 0.069 0.000 2.127 248 A HA 0.066 4.386 4.320 -0.000 0.000 0.204 248 A C 1.734 179.349 177.584 0.052 0.000 1.243 248 A CA 0.108 52.181 52.037 0.059 0.000 0.887 248 A CB 0.328 19.363 19.000 0.057 0.000 0.933 248 A HN 0.110 nan 8.150 nan 0.000 0.479 249 S N 0.449 116.187 115.700 0.063 0.000 2.701 249 S HA 0.081 4.550 4.470 -0.000 0.000 0.220 249 S C 1.546 176.209 174.600 0.104 0.000 0.954 249 S CA 0.549 58.802 58.200 0.088 0.000 0.936 249 S CB -0.861 62.413 63.200 0.123 0.000 0.777 249 S HN 0.591 nan 8.310 nan 0.000 0.518 250 L N -1.370 119.876 121.223 0.038 0.000 2.307 250 L HA 0.420 4.760 4.340 -0.000 0.000 0.211 250 L C 2.219 179.065 176.870 -0.041 0.000 1.099 250 L CA 0.996 55.845 54.840 0.016 0.000 0.816 250 L CB -0.855 41.210 42.059 0.010 0.000 0.952 250 L HN 0.237 nan 8.230 nan 0.000 0.455 251 A N 1.422 124.163 122.820 -0.133 0.000 2.015 251 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 251 A C 2.360 179.615 177.584 -0.549 0.000 1.163 251 A CA 1.611 53.373 52.037 -0.458 0.000 0.646 251 A CB -0.502 18.263 19.000 -0.392 0.000 0.806 251 A HN 0.805 nan 8.150 nan 0.000 0.448 252 Q N -2.227 117.416 119.800 -0.260 0.000 2.096 252 Q HA -0.129 4.211 4.340 -0.000 0.000 0.197 252 Q C 1.775 177.571 176.000 -0.341 0.000 0.964 252 Q CA 1.428 57.064 55.803 -0.279 0.000 0.838 252 Q CB -0.662 27.956 28.738 -0.200 0.000 0.906 252 Q HN 0.554 nan 8.270 nan 0.000 0.444 253 Y N 1.611 121.698 120.300 -0.355 0.000 2.256 253 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 253 Y C 2.428 178.195 175.900 -0.221 0.000 1.155 253 Y CA 1.421 59.270 58.100 -0.417 0.000 1.203 253 Y CB 0.056 38.325 38.460 -0.318 0.000 0.980 253 Y HN 0.217 nan 8.280 nan 0.000 0.530 254 E N -0.046 120.124 120.200 -0.049 0.000 2.077 254 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 254 E C 2.497 179.107 176.600 0.017 0.000 0.989 254 E CA 1.567 57.965 56.400 -0.003 0.000 0.800 254 E CB -0.440 29.211 29.700 -0.081 0.000 0.746 254 E HN 0.436 nan 8.360 nan 0.000 0.452 255 V N -0.071 119.788 119.914 -0.092 0.000 2.515 255 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 255 V C 2.399 178.514 176.094 0.035 0.000 1.058 255 V CA 1.494 63.801 62.300 0.012 0.000 1.064 255 V CB -0.610 31.191 31.823 -0.037 0.000 0.675 255 V HN 0.165 nan 8.190 nan 0.000 0.461 256 L N 1.879 123.034 121.223 -0.113 0.000 2.017 256 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 256 L C 2.647 179.597 176.870 0.133 0.000 1.073 256 L CA 2.569 57.332 54.840 -0.130 0.000 0.745 256 L CB -1.276 40.386 42.059 -0.660 0.000 0.894 256 L HN 0.328 nan 8.230 nan 0.000 0.432 257 A N -0.216 122.734 122.820 0.217 0.000 1.883 257 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 257 A C 2.075 179.780 177.584 0.202 0.000 1.186 257 A CA 2.208 54.431 52.037 0.309 0.000 0.624 257 A CB -1.041 18.133 19.000 0.289 0.000 0.822 257 A HN 0.651 nan 8.150 nan 0.000 0.444 258 N N -2.156 116.663 118.700 0.199 0.000 2.396 258 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 258 N C 1.436 177.127 175.510 0.301 0.000 1.028 258 N CA 1.157 54.348 53.050 0.235 0.000 0.893 258 N CB -0.280 38.337 38.487 0.218 0.000 0.967 258 N HN 0.675 nan 8.380 nan 0.000 0.440 259 Y N 1.223 121.599 120.300 0.127 0.000 2.153 259 Y HA 0.044 4.593 4.550 -0.000 0.000 0.289 259 Y C 1.595 177.535 175.900 0.066 0.000 1.127 259 Y CA 1.245 59.394 58.100 0.081 0.000 1.131 259 Y CB -0.382 38.095 38.460 0.028 0.000 0.995 259 Y HN -0.049 nan 8.280 nan 0.000 0.505 260 L N -0.393 120.798 121.223 -0.054 0.000 2.191 260 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 260 L C 0.851 177.675 176.870 -0.077 0.000 1.103 260 L CA 1.460 56.217 54.840 -0.139 0.000 0.769 260 L CB -0.661 41.427 42.059 0.048 0.000 0.908 260 L HN 0.164 nan 8.230 nan 0.000 0.438 261 T N 0.361 114.924 114.554 0.015 0.000 3.218 261 T HA 0.276 4.626 4.350 -0.000 0.000 0.236 261 T C 0.096 174.841 174.700 0.076 0.000 1.005 261 T CA -0.108 62.019 62.100 0.045 0.000 1.055 261 T CB -0.176 68.742 68.868 0.083 0.000 1.136 261 T HN 0.385 nan 8.240 nan 0.000 0.577 262 S N -0.549 115.137 115.700 -0.022 0.000 2.643 262 S HA 0.722 5.192 4.470 -0.000 0.000 0.270 262 S C 1.053 175.565 174.600 -0.147 0.000 1.166 262 S CA -0.427 57.731 58.200 -0.070 0.000 0.815 262 S CB 1.035 64.165 63.200 -0.117 0.000 1.139 262 S HN 0.088 nan 8.310 nan 0.000 0.472 263 A N 0.247 122.959 122.820 -0.181 0.000 2.067 263 A HA 0.206 4.526 4.320 -0.000 0.000 0.219 263 A C 1.839 179.342 177.584 -0.135 0.000 1.158 263 A CA 0.930 52.882 52.037 -0.142 0.000 0.661 263 A CB -1.047 17.873 19.000 -0.134 0.000 0.801 263 A HN 0.747 nan 8.150 nan 0.000 0.452 264 L N -0.626 120.504 121.223 -0.156 0.000 2.056 264 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 264 L C 1.692 178.498 176.870 -0.105 0.000 1.078 264 L CA 0.835 55.631 54.840 -0.074 0.000 0.749 264 L CB -0.547 41.528 42.059 0.027 0.000 0.901 264 L HN 0.393 nan 8.230 nan 0.000 0.433 265 S N -0.352 115.141 115.700 -0.345 0.000 2.565 265 S HA 0.029 4.499 4.470 -0.000 0.000 0.276 265 S C 1.028 175.498 174.600 -0.218 0.000 1.326 265 S CA -0.450 57.458 58.200 -0.488 0.000 1.045 265 S CB 1.078 63.725 63.200 -0.921 0.000 0.918 265 S HN 0.214 nan 8.310 nan 0.000 0.505 266 E N 2.193 122.318 120.200 -0.125 0.000 2.158 266 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 266 E C 1.001 177.560 176.600 -0.068 0.000 0.982 266 E CA 0.787 57.146 56.400 -0.068 0.000 0.823 266 E CB -0.193 29.491 29.700 -0.026 0.000 0.766 266 E HN 0.694 nan 8.360 nan 0.000 0.468 267 L N -0.084 121.091 121.223 -0.081 0.000 2.672 267 L HA 0.183 4.523 4.340 -0.000 0.000 0.236 267 L C 1.667 178.497 176.870 -0.067 0.000 1.186 267 L CA 0.199 55.005 54.840 -0.056 0.000 0.977 267 L CB -0.414 41.628 42.059 -0.028 0.000 1.203 267 L HN -0.109 nan 8.230 nan 0.000 0.448 268 S N -0.885 114.760 115.700 -0.092 0.000 2.428 268 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 268 S C 1.787 176.364 174.600 -0.038 0.000 1.014 268 S CA 0.587 58.741 58.200 -0.076 0.000 0.957 268 S CB -0.690 62.453 63.200 -0.096 0.000 0.784 268 S HN 0.483 nan 8.310 nan 0.000 0.499 269 G N 0.352 109.132 108.800 -0.033 0.000 2.985 269 G HA2 0.307 4.267 3.960 -0.000 0.000 0.209 269 G HA3 0.307 4.267 3.960 -0.000 0.000 0.209 269 G C 0.889 175.784 174.900 -0.008 0.000 1.165 269 G CA 0.032 45.122 45.100 -0.017 0.000 0.776 269 G HN 0.460 nan 8.290 nan 0.000 0.541 270 L N 0.494 121.712 121.223 -0.009 0.000 2.616 270 L HA 0.447 4.787 4.340 -0.000 0.000 0.229 270 L C 0.755 177.631 176.870 0.009 0.000 1.110 270 L CA 0.092 54.933 54.840 0.001 0.000 0.884 270 L CB 0.223 42.283 42.059 0.001 0.000 1.115 270 L HN 0.317 nan 8.230 nan 0.000 0.481 271 I N -5.769 114.805 120.570 0.008 0.000 2.569 271 I HA 0.475 4.645 4.170 -0.000 0.000 0.296 271 I C 0.667 176.802 176.117 0.030 0.000 1.028 271 I CA -0.367 60.946 61.300 0.021 0.000 1.082 271 I CB 1.981 39.989 38.000 0.013 0.000 1.264 271 I HN -0.254 nan 8.210 nan 0.000 0.429 272 S N 2.595 118.327 115.700 0.054 0.000 2.356 272 S HA 0.026 4.496 4.470 -0.000 0.000 0.219 272 S C 0.790 175.432 174.600 0.071 0.000 1.036 272 S CA 0.716 58.948 58.200 0.053 0.000 0.965 272 S CB -0.019 63.212 63.200 0.051 0.000 0.864 272 S HN 0.786 nan 8.310 nan 0.000 0.471 273 S N -0.708 115.075 115.700 0.139 0.000 2.541 273 S HA 0.732 5.202 4.470 -0.000 0.000 0.271 273 S C -1.919 172.760 174.600 0.131 0.000 1.133 273 S CA -0.386 57.912 58.200 0.163 0.000 0.876 273 S CB 1.762 65.088 63.200 0.210 0.000 1.105 273 S HN 0.474 nan 8.310 nan 0.000 0.470 274 A N 3.413 126.248 122.820 0.025 0.000 2.459 274 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 274 A C -1.065 176.435 177.584 -0.139 0.000 1.039 274 A CA -0.811 51.130 52.037 -0.161 0.000 0.698 274 A CB 1.200 20.143 19.000 -0.095 0.000 1.261 274 A HN 0.957 nan 8.150 nan 0.000 0.405 275 K N 0.632 120.846 120.400 -0.310 0.000 2.578 275 K HA 0.783 5.103 4.320 -0.000 0.000 0.287 275 K C -1.959 174.529 176.600 -0.187 0.000 1.010 275 K CA -0.906 55.294 56.287 -0.145 0.000 0.889 275 K CB 1.562 34.046 32.500 -0.026 0.000 1.514 275 K HN 0.732 nan 8.250 nan 0.000 0.424 276 L N 1.605 122.832 121.223 0.006 0.000 2.342 276 L HA 0.422 4.762 4.340 -0.000 0.000 0.276 276 L C -1.544 175.330 176.870 0.006 0.000 0.997 276 L CA -0.146 54.738 54.840 0.074 0.000 0.838 276 L CB 1.418 43.584 42.059 0.179 0.000 1.224 276 L HN 0.590 nan 8.230 nan 0.000 0.416 277 D N 5.321 125.710 120.400 -0.018 0.000 2.336 277 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 277 D C -0.405 175.704 176.300 -0.317 0.000 1.213 277 D CA 0.075 53.983 54.000 -0.153 0.000 0.870 277 D CB 0.965 41.747 40.800 -0.029 0.000 1.076 277 D HN 0.471 nan 8.370 nan 0.000 0.483 278 K N 2.657 122.847 120.400 -0.350 0.000 2.227 278 K HA 0.400 4.720 4.320 -0.000 0.000 0.280 278 K C -0.210 176.142 176.600 -0.413 0.000 1.041 278 K CA -0.372 55.765 56.287 -0.249 0.000 0.905 278 K CB 1.225 33.680 32.500 -0.075 0.000 1.068 278 K HN 0.226 nan 8.250 nan 0.000 0.470 279 F N -0.693 119.325 119.950 0.113 0.000 2.780 279 F HA 0.212 4.738 4.527 -0.000 0.000 0.394 279 F C 1.973 177.853 175.800 0.133 0.000 1.244 279 F CA -0.781 57.299 58.000 0.132 0.000 1.133 279 F CB 0.868 39.920 39.000 0.087 0.000 1.528 279 F HN 0.533 nan 8.300 nan 0.000 0.496 280 T N -3.745 111.037 114.554 0.381 0.000 3.060 280 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 280 T C -0.042 174.762 174.700 0.173 0.000 1.079 280 T CA 0.461 62.708 62.100 0.245 0.000 1.013 280 T CB -0.309 68.700 68.868 0.236 0.000 0.975 280 T HN 0.547 nan 8.240 nan 0.000 0.518 281 D N -0.189 120.315 120.400 0.172 0.000 2.908 281 D HA 0.476 5.116 4.640 -0.000 0.000 0.361 281 D C 0.787 177.161 176.300 0.124 0.000 1.416 281 D CA -0.100 53.966 54.000 0.109 0.000 0.796 281 D CB 0.291 41.121 40.800 0.051 0.000 1.185 281 D HN 0.534 nan 8.370 nan 0.000 0.451 282 G N -1.126 107.780 108.800 0.176 0.000 2.225 282 G HA2 0.488 4.448 3.960 -0.000 0.000 0.203 282 G HA3 0.488 4.448 3.960 -0.000 0.000 0.203 282 G C -0.245 174.807 174.900 0.253 0.000 1.335 282 G CA 0.086 45.299 45.100 0.188 0.000 1.183 282 G HN 1.090 nan 8.290 nan 0.000 0.488 283 G N -1.690 107.273 108.800 0.272 0.000 2.349 283 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 283 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 283 G C -2.341 172.722 174.900 0.272 0.000 1.380 283 G CA 0.319 45.619 45.100 0.333 0.000 0.811 283 G HN 1.862 nan 8.290 nan 0.000 0.519 284 L N -0.207 121.148 121.223 0.220 0.000 2.464 284 L HA 0.828 5.168 4.340 -0.000 0.000 0.266 284 L C -1.640 175.256 176.870 0.044 0.000 0.965 284 L CA -0.819 54.076 54.840 0.093 0.000 0.833 284 L CB 1.887 43.961 42.059 0.024 0.000 1.296 284 L HN 0.658 nan 8.230 nan 0.000 0.405 285 F N 3.789 123.652 119.950 -0.146 0.000 2.420 285 F HA 0.753 5.280 4.527 -0.000 0.000 0.342 285 F C -0.075 175.647 175.800 -0.131 0.000 1.113 285 F CA -0.020 57.919 58.000 -0.100 0.000 1.059 285 F CB 1.441 40.415 39.000 -0.044 0.000 1.128 285 F HN 0.627 nan 8.300 nan 0.000 0.475 286 T N 5.050 119.058 114.554 -0.909 0.000 2.876 286 T HA 0.686 5.036 4.350 -0.000 0.000 0.289 286 T C -1.466 172.510 174.700 -1.207 0.000 1.014 286 T CA -0.818 60.753 62.100 -0.881 0.000 0.986 286 T CB 1.793 70.303 68.868 -0.597 0.000 1.021 286 T HN 0.680 nan 8.240 nan 0.000 0.458 287 L N 2.598 123.186 121.223 -1.059 0.000 2.409 287 L HA 0.773 5.113 4.340 -0.000 0.000 0.272 287 L C -1.953 174.442 176.870 -0.793 0.000 0.980 287 L CA -0.869 53.529 54.840 -0.736 0.000 0.826 287 L CB 1.311 43.188 42.059 -0.304 0.000 1.268 287 L HN 0.803 nan 8.230 nan 0.000 0.407 288 F N 4.574 124.463 119.950 -0.102 0.000 2.507 288 F HA 0.663 5.190 4.527 -0.000 0.000 0.325 288 F C -0.321 175.448 175.800 -0.051 0.000 1.116 288 F CA -1.042 56.911 58.000 -0.077 0.000 0.930 288 F CB 2.112 41.062 39.000 -0.084 0.000 1.146 288 F HN 0.057 nan 8.300 nan 0.000 0.447 289 V N 4.113 124.113 119.914 0.143 0.000 2.350 289 V HA 0.518 4.638 4.120 -0.000 0.000 0.285 289 V C -0.397 175.734 176.094 0.063 0.000 1.014 289 V CA -0.739 61.609 62.300 0.079 0.000 0.831 289 V CB 1.416 33.273 31.823 0.057 0.000 1.000 289 V HN 0.763 nan 8.190 nan 0.000 0.433 290 R N 3.089 123.614 120.500 0.041 0.000 2.561 290 R HA 0.726 5.066 4.340 -0.000 0.000 0.297 290 R C -1.747 174.560 176.300 0.011 0.000 0.969 290 R CA -0.343 55.764 56.100 0.012 0.000 0.879 290 R CB 2.173 32.462 30.300 -0.018 0.000 1.178 290 R HN 0.871 nan 8.270 nan 0.000 0.445 291 D N 0.912 121.319 120.400 0.012 0.000 2.653 291 D HA 0.069 4.709 4.640 -0.000 0.000 0.258 291 D C 0.265 176.578 176.300 0.021 0.000 1.252 291 D CA -0.447 53.562 54.000 0.016 0.000 0.777 291 D CB 1.728 42.539 40.800 0.018 0.000 1.339 291 D HN 0.514 nan 8.370 nan 0.000 0.422 292 Q N 0.068 119.880 119.800 0.021 0.000 1.975 292 Q HA -0.044 4.296 4.340 -0.000 0.000 0.205 292 Q C 0.225 176.242 176.000 0.027 0.000 0.990 292 Q CA 1.305 57.123 55.803 0.025 0.000 0.845 292 Q CB -0.187 28.562 28.738 0.018 0.000 0.913 292 Q HN 0.594 nan 8.270 nan 0.000 0.420 293 D N -0.259 120.154 120.400 0.023 0.000 2.210 293 D HA 0.019 4.658 4.640 -0.000 0.000 0.249 293 D C 0.595 176.912 176.300 0.027 0.000 1.062 293 D CA 0.325 54.339 54.000 0.024 0.000 0.891 293 D CB 1.595 42.407 40.800 0.020 0.000 1.186 293 D HN 0.090 nan 8.370 nan 0.000 0.432 294 S N 2.220 117.938 115.700 0.030 0.000 2.400 294 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 294 S C 2.082 176.703 174.600 0.035 0.000 1.025 294 S CA 0.873 59.093 58.200 0.033 0.000 0.993 294 S CB -0.601 62.620 63.200 0.035 0.000 0.808 294 S HN 0.672 nan 8.310 nan 0.000 0.478 295 A N 1.791 124.629 122.820 0.031 0.000 1.883 295 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 295 A C 2.424 180.025 177.584 0.030 0.000 1.186 295 A CA 1.927 53.982 52.037 0.030 0.000 0.624 295 A CB -1.235 17.780 19.000 0.025 0.000 0.822 295 A HN 0.475 nan 8.150 nan 0.000 0.444 296 V N -0.386 119.544 119.914 0.026 0.000 2.626 296 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 296 V C 2.483 178.595 176.094 0.029 0.000 1.067 296 V CA 1.734 64.049 62.300 0.024 0.000 1.081 296 V CB -0.578 31.257 31.823 0.020 0.000 0.686 296 V HN 0.380 nan 8.190 nan 0.000 0.468 297 V N -0.408 119.527 119.914 0.034 0.000 2.323 297 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 297 V C 2.527 178.653 176.094 0.052 0.000 1.041 297 V CA 2.130 64.455 62.300 0.041 0.000 1.025 297 V CB -0.564 31.284 31.823 0.041 0.000 0.656 297 V HN 0.547 nan 8.190 nan 0.000 0.451 298 S N 0.207 115.939 115.700 0.053 0.000 2.370 298 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 298 S C 2.231 176.859 174.600 0.047 0.000 1.033 298 S CA 1.830 60.066 58.200 0.059 0.000 1.011 298 S CB -0.268 62.966 63.200 0.056 0.000 0.852 298 S HN 0.606 nan 8.310 nan 0.000 0.457 299 S N 2.176 117.898 115.700 0.037 0.000 2.335 299 S HA -0.060 4.410 4.470 -0.000 0.000 0.216 299 S C 1.773 176.390 174.600 0.028 0.000 1.032 299 S CA 1.108 59.326 58.200 0.029 0.000 1.000 299 S CB -0.633 62.581 63.200 0.024 0.000 0.928 299 S HN 0.448 nan 8.310 nan 0.000 0.434 300 N N 1.476 120.193 118.700 0.027 0.000 2.192 300 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 300 N C 1.509 177.035 175.510 0.027 0.000 1.013 300 N CA 0.892 53.957 53.050 0.024 0.000 0.863 300 N CB -0.313 38.189 38.487 0.024 0.000 0.990 300 N HN 0.419 nan 8.380 nan 0.000 0.430 301 I N 0.087 120.679 120.570 0.036 0.000 2.585 301 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 301 I C 1.941 178.072 176.117 0.023 0.000 1.129 301 I CA 0.765 62.087 61.300 0.037 0.000 1.455 301 I CB 0.047 38.092 38.000 0.075 0.000 1.111 301 I HN 0.019 nan 8.210 nan 0.000 0.433 302 K N 0.973 121.387 120.400 0.024 0.000 2.280 302 K HA -0.257 4.063 4.320 -0.000 0.000 0.202 302 K C 2.052 178.664 176.600 0.020 0.000 1.047 302 K CA 1.371 57.668 56.287 0.017 0.000 0.942 302 K CB 0.105 32.617 32.500 0.020 0.000 0.739 302 K HN 0.093 nan 8.250 nan 0.000 0.457 303 K N 0.600 121.012 120.400 0.020 0.000 2.098 303 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 303 K C 1.756 178.369 176.600 0.023 0.000 1.051 303 K CA 0.779 57.078 56.287 0.020 0.000 0.957 303 K CB 0.040 32.550 32.500 0.018 0.000 0.738 303 K HN -0.008 nan 8.250 nan 0.000 0.447 304 I N 0.955 121.538 120.570 0.021 0.000 2.179 304 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 304 I C 2.154 178.288 176.117 0.028 0.000 1.088 304 I CA 1.014 62.328 61.300 0.024 0.000 1.357 304 I CB -1.017 36.992 38.000 0.015 0.000 1.051 304 I HN -0.026 nan 8.210 nan 0.000 0.409 305 V N 1.503 121.428 119.914 0.017 0.000 2.343 305 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 305 V C 2.842 178.974 176.094 0.063 0.000 1.051 305 V CA 1.824 64.150 62.300 0.043 0.000 1.036 305 V CB -1.196 30.667 31.823 0.067 0.000 0.654 305 V HN 0.459 nan 8.190 nan 0.000 0.451 306 A N -0.094 122.751 122.820 0.042 0.000 1.898 306 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 306 A C 1.957 179.556 177.584 0.025 0.000 1.181 306 A CA 2.037 54.093 52.037 0.031 0.000 0.620 306 A CB -0.631 18.383 19.000 0.022 0.000 0.819 306 A HN 0.519 nan 8.150 nan 0.000 0.442 307 D N -0.396 120.022 120.400 0.031 0.000 2.224 307 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 307 D C 1.747 178.070 176.300 0.039 0.000 0.965 307 D CA 0.625 54.645 54.000 0.035 0.000 0.852 307 D CB -0.074 40.752 40.800 0.044 0.000 0.947 307 D HN 0.410 nan 8.370 nan 0.000 0.494 308 L N -0.077 121.173 121.223 0.044 0.000 2.341 308 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 308 L C 2.064 178.903 176.870 -0.052 0.000 1.115 308 L CA 0.613 55.473 54.840 0.033 0.000 0.820 308 L CB -0.002 42.111 42.059 0.090 0.000 0.944 308 L HN -0.076 nan 8.230 nan 0.000 0.452 309 K N 0.377 120.768 120.400 -0.016 0.000 2.288 309 K HA -0.129 4.191 4.320 -0.000 0.000 0.201 309 K C 1.228 177.788 176.600 -0.066 0.000 1.048 309 K CA 0.776 57.039 56.287 -0.039 0.000 0.956 309 K CB 0.213 32.715 32.500 0.003 0.000 0.746 309 K HN -0.004 nan 8.250 nan 0.000 0.461 310 K N 0.886 121.257 120.400 -0.047 0.000 3.147 310 K HA 0.117 4.437 4.320 -0.000 0.000 0.214 310 K C -0.264 176.306 176.600 -0.051 0.000 1.221 310 K CA -0.377 55.883 56.287 -0.045 0.000 1.117 310 K CB 0.417 32.906 32.500 -0.019 0.000 1.278 310 K HN 0.071 nan 8.250 nan 0.000 0.479 311 G N 2.382 111.119 108.800 -0.104 0.000 2.707 311 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.231 311 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.231 311 G C -0.533 174.330 174.900 -0.062 0.000 1.246 311 G CA 0.143 45.175 45.100 -0.113 0.000 0.852 311 G HN 0.479 nan 8.290 nan 0.000 0.584 312 K N 0.296 120.677 120.400 -0.031 0.000 2.610 312 K HA 0.389 4.709 4.320 -0.000 0.000 0.278 312 K C -1.133 175.399 176.600 -0.112 0.000 0.964 312 K CA -0.712 55.547 56.287 -0.047 0.000 0.859 312 K CB 1.772 34.262 32.500 -0.017 0.000 1.434 312 K HN 0.501 nan 8.250 nan 0.000 0.410 313 D N 0.557 120.861 120.400 -0.161 0.000 2.488 313 D HA 0.166 4.805 4.640 -0.000 0.000 0.123 313 D C 0.776 176.944 176.300 -0.220 0.000 1.487 313 D CA 0.844 54.660 54.000 -0.307 0.000 1.423 313 D CB 0.455 41.105 40.800 -0.250 0.000 2.171 313 D HN 0.570 nan 8.370 nan 0.000 0.257 314 L N 1.106 122.253 121.223 -0.128 0.000 5.051 314 L HA -0.305 4.035 4.340 -0.000 0.000 0.432 314 L C 0.251 177.080 176.870 -0.068 0.000 1.055 314 L CA 0.785 55.578 54.840 -0.078 0.000 1.095 314 L CB -2.343 39.682 42.059 -0.055 0.000 1.957 314 L HN 0.387 nan 8.230 nan 0.000 0.727 315 S N -3.283 112.356 115.700 -0.103 0.000 3.550 315 S HA -0.152 4.318 4.470 -0.000 0.000 0.372 315 S C -0.947 173.646 174.600 -0.012 0.000 0.966 315 S CA 0.601 58.765 58.200 -0.061 0.000 1.229 315 S CB -1.539 61.645 63.200 -0.027 0.000 0.917 315 S HN 0.479 nan 8.310 nan 0.000 0.496 316 P HA 0.268 nan 4.420 nan 0.000 0.222 316 P C 1.230 178.570 177.300 0.066 0.000 1.153 316 P CA 1.224 64.340 63.100 0.028 0.000 0.798 316 P CB -0.087 31.633 31.700 0.033 0.000 0.796 317 A N -0.964 121.914 122.820 0.097 0.000 2.411 317 A HA 0.108 4.428 4.320 -0.000 0.000 0.251 317 A C 1.634 179.332 177.584 0.191 0.000 1.317 317 A CA -0.135 52.009 52.037 0.177 0.000 0.904 317 A CB -1.459 17.697 19.000 0.259 0.000 0.993 317 A HN 0.066 nan 8.150 nan 0.000 0.504 318 I N 0.028 120.675 120.570 0.129 0.000 2.454 318 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 318 I C 1.376 177.577 176.117 0.140 0.000 1.156 318 I CA 1.528 62.909 61.300 0.136 0.000 1.433 318 I CB -0.113 37.942 38.000 0.093 0.000 1.082 318 I HN 0.341 nan 8.210 nan 0.000 0.432 319 N N -1.412 117.366 118.700 0.129 0.000 2.392 319 N HA -0.091 4.649 4.740 -0.000 0.000 0.177 319 N C 1.584 177.180 175.510 0.142 0.000 1.066 319 N CA 0.586 53.699 53.050 0.104 0.000 0.895 319 N CB -0.080 38.457 38.487 0.084 0.000 0.988 319 N HN 0.491 nan 8.380 nan 0.000 0.457 320 Y N 1.208 121.541 120.300 0.055 0.000 2.301 320 Y HA -0.044 4.506 4.550 -0.000 0.000 0.295 320 Y C 2.601 178.544 175.900 0.071 0.000 1.119 320 Y CA 1.071 59.205 58.100 0.055 0.000 1.162 320 Y CB -0.071 38.429 38.460 0.066 0.000 1.046 320 Y HN -0.096 nan 8.280 nan 0.000 0.538 321 T N -0.115 114.539 114.554 0.167 0.000 2.962 321 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 321 T C 1.823 176.577 174.700 0.089 0.000 1.088 321 T CA 1.557 63.746 62.100 0.148 0.000 1.127 321 T CB -0.243 68.799 68.868 0.290 0.000 0.883 321 T HN 0.344 nan 8.240 nan 0.000 0.493 322 K N -0.103 120.298 120.400 0.001 0.000 2.211 322 K HA 0.156 4.476 4.320 -0.000 0.000 0.201 322 K C 2.144 178.649 176.600 -0.159 0.000 1.052 322 K CA 0.258 56.438 56.287 -0.179 0.000 0.973 322 K CB -0.142 32.263 32.500 -0.158 0.000 0.766 322 K HN 0.266 nan 8.250 nan 0.000 0.466 323 L N 1.276 122.429 121.223 -0.118 0.000 2.072 323 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 323 L C 1.786 178.555 176.870 -0.169 0.000 1.079 323 L CA 1.822 56.587 54.840 -0.124 0.000 0.752 323 L CB -0.408 41.598 42.059 -0.088 0.000 0.906 323 L HN 0.043 nan 8.230 nan 0.000 0.436 324 K N 0.467 120.716 120.400 -0.252 0.000 2.217 324 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 324 K C 1.688 178.211 176.600 -0.128 0.000 1.051 324 K CA 0.909 57.051 56.287 -0.242 0.000 0.952 324 K CB -0.210 32.071 32.500 -0.365 0.000 0.736 324 K HN 0.354 nan 8.250 nan 0.000 0.453 325 N N -0.802 117.835 118.700 -0.105 0.000 2.370 325 N HA 0.051 4.791 4.740 -0.000 0.000 0.198 325 N C 0.242 175.693 175.510 -0.098 0.000 1.156 325 N CA 0.350 53.358 53.050 -0.070 0.000 0.839 325 N CB 0.415 38.878 38.487 -0.041 0.000 0.989 325 N HN 0.198 nan 8.380 nan 0.000 0.468 326 A N -0.471 122.287 122.820 -0.103 0.000 2.138 326 A HA 0.058 4.378 4.320 -0.000 0.000 0.203 326 A C 1.858 179.400 177.584 -0.070 0.000 1.286 326 A CA -0.031 51.951 52.037 -0.091 0.000 0.929 326 A CB -0.233 18.708 19.000 -0.098 0.000 0.975 326 A HN 0.176 nan 8.150 nan 0.000 0.480 327 V N -1.354 118.517 119.914 -0.072 0.000 3.026 327 V HA -0.121 3.999 4.120 -0.000 0.000 0.265 327 V C 0.659 176.723 176.094 -0.050 0.000 1.121 327 V CA 1.209 63.474 62.300 -0.059 0.000 1.142 327 V CB -1.349 30.436 31.823 -0.062 0.000 0.730 327 V HN 0.551 nan 8.190 nan 0.000 0.503 328 Q N 1.852 121.623 119.800 -0.050 0.000 2.678 328 Q HA 0.276 4.616 4.340 -0.000 0.000 0.222 328 Q C 0.497 176.472 176.000 -0.041 0.000 1.281 328 Q CA -0.182 55.595 55.803 -0.042 0.000 0.994 328 Q CB -0.025 28.690 28.738 -0.038 0.000 1.452 328 Q HN 0.565 nan 8.270 nan 0.000 0.570 329 N N 1.581 120.257 118.700 -0.041 0.000 2.494 329 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 329 N C 1.049 176.536 175.510 -0.038 0.000 1.076 329 N CA 0.745 53.771 53.050 -0.039 0.000 0.908 329 N CB 0.491 38.954 38.487 -0.039 0.000 0.967 329 N HN 0.603 nan 8.380 nan 0.000 0.449 330 E N -0.225 119.952 120.200 -0.040 0.000 2.385 330 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 330 E C 0.835 177.410 176.600 -0.041 0.000 1.013 330 E CA 0.385 56.761 56.400 -0.041 0.000 0.866 330 E CB 0.020 29.693 29.700 -0.044 0.000 0.832 330 E HN -0.113 nan 8.360 nan 0.000 0.500 331 S N 0.706 116.383 115.700 -0.039 0.000 2.577 331 S HA 0.201 4.671 4.470 -0.000 0.000 0.239 331 S C -0.051 174.535 174.600 -0.023 0.000 1.236 331 S CA -0.614 57.565 58.200 -0.035 0.000 1.233 331 S CB -0.162 63.017 63.200 -0.035 0.000 0.908 331 S HN 0.157 nan 8.310 nan 0.000 0.493 332 V N 3.307 123.208 119.914 -0.020 0.000 2.346 332 V HA 0.247 4.367 4.120 -0.000 0.000 0.320 332 V C 0.736 176.830 176.094 -0.001 0.000 1.663 332 V CA 0.381 62.672 62.300 -0.014 0.000 1.667 332 V CB -0.790 31.023 31.823 -0.016 0.000 1.465 332 V HN 0.768 nan 8.190 nan 0.000 0.524 333 S N -1.522 114.181 115.700 0.005 0.000 2.883 333 S HA 0.066 4.536 4.470 -0.000 0.000 0.227 333 S C 0.342 174.963 174.600 0.034 0.000 0.779 333 S CA 0.030 58.244 58.200 0.023 0.000 1.232 333 S CB -0.313 62.905 63.200 0.030 0.000 1.314 333 S HN 0.607 nan 8.310 nan 0.000 0.554 334 S N 1.948 117.663 115.700 0.024 0.000 2.579 334 S HA 0.546 5.015 4.470 -0.000 0.000 0.275 334 S C -1.218 173.416 174.600 0.056 0.000 1.345 334 S CA -0.424 57.798 58.200 0.037 0.000 1.031 334 S CB -0.231 62.985 63.200 0.026 0.000 0.892 334 S HN 0.209 nan 8.310 nan 0.000 0.529 335 P HA 0.134 nan 4.420 nan 0.000 0.224 335 P C -0.254 177.103 177.300 0.095 0.000 1.268 335 P CA -0.082 63.072 63.100 0.090 0.000 0.686 335 P CB -0.169 31.592 31.700 0.103 0.000 0.830 336 I N 0.147 120.791 120.570 0.123 0.000 2.648 336 I HA 0.005 4.175 4.170 -0.000 0.000 0.284 336 I C 1.590 177.821 176.117 0.191 0.000 1.153 336 I CA 0.819 62.206 61.300 0.145 0.000 1.426 336 I CB -0.016 38.078 38.000 0.156 0.000 1.381 336 I HN 0.245 nan 8.210 nan 0.000 0.571 337 E N 3.901 124.171 120.200 0.115 0.000 2.288 337 E HA 0.124 4.474 4.350 -0.000 0.000 0.200 337 E C 1.320 177.914 176.600 -0.011 0.000 0.880 337 E CA 0.456 56.853 56.400 -0.006 0.000 0.971 337 E CB 0.348 30.016 29.700 -0.053 0.000 0.954 337 E HN 0.489 nan 8.360 nan 0.000 0.489 338 L N 2.427 123.695 121.223 0.076 0.000 2.629 338 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 338 L C 1.544 178.529 176.870 0.192 0.000 1.151 338 L CA 0.417 55.316 54.840 0.097 0.000 0.924 338 L CB -0.790 41.299 42.059 0.051 0.000 1.137 338 L HN 0.165 nan 8.230 nan 0.000 0.457 339 N N -0.490 118.385 118.700 0.291 0.000 2.459 339 N HA -0.145 4.595 4.740 -0.000 0.000 0.181 339 N C 1.600 177.236 175.510 0.211 0.000 1.046 339 N CA 0.579 53.754 53.050 0.209 0.000 0.904 339 N CB 0.245 38.823 38.487 0.151 0.000 0.964 339 N HN 0.165 nan 8.380 nan 0.000 0.444 340 F N 1.417 121.377 119.950 0.016 0.000 2.113 340 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 340 F C 0.942 176.746 175.800 0.007 0.000 1.103 340 F CA 0.787 58.793 58.000 0.011 0.000 1.248 340 F CB -0.728 38.278 39.000 0.011 0.000 0.999 340 F HN -0.076 nan 8.300 nan 0.000 0.475 341 D N 0.140 120.673 120.400 0.221 0.000 2.848 341 D HA 0.362 5.002 4.640 -0.000 0.000 0.232 341 D C 0.612 176.958 176.300 0.077 0.000 1.107 341 D CA 0.418 54.488 54.000 0.116 0.000 1.020 341 D CB -0.138 40.712 40.800 0.084 0.000 1.148 341 D HN 0.265 nan 8.370 nan 0.000 0.453 342 A N -0.452 122.405 122.820 0.062 0.000 1.893 342 A HA 0.377 4.697 4.320 -0.000 0.000 0.175 342 A C 0.121 177.712 177.584 0.012 0.000 1.480 342 A CA -0.191 51.867 52.037 0.035 0.000 2.061 342 A CB -0.109 18.914 19.000 0.037 0.000 2.260 342 A HN 0.212 nan 8.150 nan 0.000 1.021 343 V N -0.024 119.888 119.914 -0.003 0.000 2.901 343 V HA 0.405 4.525 4.120 -0.000 0.000 0.307 343 V C 0.115 176.187 176.094 -0.037 0.000 1.084 343 V CA 1.076 63.364 62.300 -0.020 0.000 1.184 343 V CB 0.307 32.112 31.823 -0.029 0.000 0.941 343 V HN 0.924 nan 8.190 nan 0.000 0.493 344 K N -0.533 119.843 120.400 -0.040 0.000 2.684 344 K HA 0.517 4.837 4.320 -0.000 0.000 0.189 344 K C -0.819 175.741 176.600 -0.066 0.000 1.154 344 K CA -0.428 55.825 56.287 -0.057 0.000 1.109 344 K CB 0.442 32.918 32.500 -0.040 0.000 0.826 344 K HN 0.661 nan 8.250 nan 0.000 0.501 345 D N 0.897 121.268 120.400 -0.049 0.000 2.896 345 D HA 0.418 5.058 4.640 -0.000 0.000 0.241 345 D C -2.043 174.268 176.300 0.018 0.000 1.188 345 D CA -0.316 53.662 54.000 -0.036 0.000 0.879 345 D CB 1.637 42.414 40.800 -0.039 0.000 1.553 345 D HN 0.191 nan 8.370 nan 0.000 0.515 346 F N 2.830 122.667 119.950 -0.189 0.000 2.551 346 F HA 0.516 5.042 4.527 -0.000 0.000 0.316 346 F C -0.202 175.502 175.800 -0.159 0.000 1.089 346 F CA -0.718 57.148 58.000 -0.224 0.000 0.915 346 F CB 1.235 40.046 39.000 -0.314 0.000 1.186 346 F HN 0.175 nan 8.300 nan 0.000 0.456 347 K N 3.714 123.480 120.400 -1.057 0.000 1.932 347 K HA 0.647 4.967 4.320 -0.000 0.000 0.262 347 K C -1.984 173.872 176.600 -1.241 0.000 0.987 347 K CA -0.602 55.192 56.287 -0.820 0.000 1.217 347 K CB 0.671 32.925 32.500 -0.410 0.000 2.659 347 K HN 0.658 nan 8.250 nan 0.000 0.982 348 L N 0.847 121.719 121.223 -0.585 0.000 2.635 348 L HA 0.360 4.700 4.340 -0.000 0.000 0.251 348 L C -0.140 176.682 176.870 -0.081 0.000 1.056 348 L CA 0.127 54.785 54.840 -0.304 0.000 0.936 348 L CB 1.082 43.064 42.059 -0.129 0.000 1.162 348 L HN 0.893 nan 8.230 nan 0.000 0.481 349 G N 1.983 110.760 108.800 -0.038 0.000 2.711 349 G HA2 0.168 4.128 3.960 -0.000 0.000 0.186 349 G HA3 0.168 4.128 3.960 -0.000 0.000 0.186 349 G C -0.285 174.590 174.900 -0.040 0.000 1.635 349 G CA -0.501 44.583 45.100 -0.027 0.000 1.065 349 G HN 0.445 nan 8.290 nan 0.000 0.545 350 K N -0.039 120.323 120.400 -0.062 0.000 2.185 350 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 350 K C -0.716 175.861 176.600 -0.039 0.000 1.013 350 K CA -0.091 56.091 56.287 -0.175 0.000 0.943 350 K CB 1.025 33.457 32.500 -0.114 0.000 0.998 350 K HN 0.400 nan 8.250 nan 0.000 0.468 351 F N -1.278 118.696 119.950 0.040 0.000 2.980 351 F HA 0.518 5.045 4.527 -0.000 0.000 0.335 351 F C -0.849 174.981 175.800 0.050 0.000 1.210 351 F CA -1.337 56.691 58.000 0.045 0.000 0.986 351 F CB 0.794 39.843 39.000 0.082 0.000 1.469 351 F HN 0.231 nan 8.300 nan 0.000 0.519 352 N N -0.660 118.358 118.700 0.530 0.000 2.240 352 N HA 0.348 5.088 4.740 -0.000 0.000 0.302 352 N C -2.263 173.500 175.510 0.421 0.000 1.106 352 N CA -0.317 52.944 53.050 0.352 0.000 0.778 352 N CB 2.779 41.346 38.487 0.134 0.000 1.431 352 N HN 0.768 nan 8.380 nan 0.000 0.479 353 Y N 0.710 121.127 120.300 0.196 0.000 2.499 353 Y HA 0.576 5.126 4.550 -0.000 0.000 0.347 353 Y C -1.063 174.873 175.900 0.060 0.000 0.987 353 Y CA -0.790 57.386 58.100 0.128 0.000 1.044 353 Y CB 1.303 39.881 38.460 0.197 0.000 1.245 353 Y HN 0.264 nan 8.280 nan 0.000 0.461 354 V N 1.775 121.288 119.914 -0.669 0.000 2.668 354 V HA 0.954 5.074 4.120 -0.000 0.000 0.304 354 V C -1.064 174.580 176.094 -0.749 0.000 1.071 354 V CA -0.764 61.205 62.300 -0.552 0.000 0.894 354 V CB 1.007 32.694 31.823 -0.227 0.000 1.008 354 V HN 1.170 nan 8.190 nan 0.000 0.425 355 A N 4.064 126.549 122.820 -0.558 0.000 2.271 355 A HA 0.896 5.216 4.320 -0.000 0.000 0.317 355 A C -0.623 176.843 177.584 -0.197 0.000 1.245 355 A CA -0.666 51.149 52.037 -0.369 0.000 0.857 355 A CB 1.394 20.230 19.000 -0.274 0.000 1.175 355 A HN 1.393 nan 8.150 nan 0.000 0.512 356 V N 2.772 122.596 119.914 -0.151 0.000 2.525 356 V HA 0.807 4.927 4.120 -0.000 0.000 0.299 356 V C 0.734 176.798 176.094 -0.051 0.000 1.034 356 V CA 0.763 62.996 62.300 -0.113 0.000 0.863 356 V CB 0.855 32.563 31.823 -0.192 0.000 0.999 356 V HN 1.949 nan 8.190 nan 0.000 0.423 357 G N 4.698 113.528 108.800 0.050 0.000 2.254 357 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.193 357 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.193 357 G C -0.540 174.412 174.900 0.087 0.000 1.233 357 G CA -0.059 45.120 45.100 0.132 0.000 1.290 357 G HN 0.625 nan 8.290 nan 0.000 0.517 358 D N 1.677 122.112 120.400 0.060 0.000 2.545 358 D HA 0.431 5.071 4.640 -0.000 0.000 0.227 358 D C 1.845 178.160 176.300 0.024 0.000 1.150 358 D CA 0.426 54.451 54.000 0.040 0.000 1.046 358 D CB 0.636 41.459 40.800 0.037 0.000 1.098 358 D HN 0.238 nan 8.370 nan 0.000 0.502 359 V N 2.232 122.155 119.914 0.016 0.000 2.282 359 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 359 V C 2.367 178.462 176.094 0.002 0.000 1.057 359 V CA 1.746 64.039 62.300 -0.011 0.000 1.032 359 V CB -0.373 31.444 31.823 -0.010 0.000 0.645 359 V HN 0.471 nan 8.190 nan 0.000 0.447 360 S N -0.438 115.282 115.700 0.034 0.000 2.547 360 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 360 S C 1.200 175.840 174.600 0.067 0.000 0.980 360 S CA 0.684 58.921 58.200 0.063 0.000 0.941 360 S CB -0.421 62.814 63.200 0.058 0.000 0.763 360 S HN 0.665 nan 8.310 nan 0.000 0.532 361 N N 0.757 119.486 118.700 0.049 0.000 2.433 361 N HA 0.220 4.960 4.740 -0.000 0.000 0.270 361 N C -1.422 174.118 175.510 0.050 0.000 1.354 361 N CA -0.118 52.964 53.050 0.053 0.000 0.889 361 N CB 0.897 39.410 38.487 0.043 0.000 1.285 361 N HN 0.194 nan 8.380 nan 0.000 0.503 362 L N 1.062 122.308 121.223 0.039 0.000 2.354 362 L HA 0.602 4.942 4.340 -0.000 0.000 0.269 362 L C -2.180 174.719 176.870 0.048 0.000 1.005 362 L CA -2.017 52.847 54.840 0.040 0.000 0.819 362 L CB 1.743 43.808 42.059 0.011 0.000 1.311 362 L HN -0.108 nan 8.230 nan 0.000 0.423 363 P HA 0.154 nan 4.420 nan 0.000 0.270 363 P C -1.394 175.954 177.300 0.079 0.000 1.223 363 P CA 0.189 63.353 63.100 0.107 0.000 0.785 363 P CB 0.326 32.056 31.700 0.050 0.000 0.923 364 Y N -0.266 120.047 120.300 0.022 0.000 2.602 364 Y HA 0.224 4.774 4.550 -0.000 0.000 0.330 364 Y C 1.401 177.182 175.900 -0.197 0.000 1.114 364 Y CA -0.655 57.471 58.100 0.042 0.000 1.182 364 Y CB 0.762 39.252 38.460 0.051 0.000 1.305 364 Y HN 0.152 nan 8.280 nan 0.000 0.502 365 L N 1.026 122.289 121.223 0.067 0.000 2.079 365 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 365 L C 1.247 178.098 176.870 -0.032 0.000 1.081 365 L CA 1.951 56.755 54.840 -0.059 0.000 0.752 365 L CB -0.742 41.380 42.059 0.104 0.000 0.896 365 L HN 0.716 nan 8.230 nan 0.000 0.433 366 D N 0.233 120.654 120.400 0.035 0.000 2.137 366 D HA -0.269 4.371 4.640 -0.000 0.000 0.193 366 D C 1.896 178.192 176.300 -0.007 0.000 0.993 366 D CA 1.986 55.988 54.000 0.003 0.000 0.846 366 D CB -0.565 40.234 40.800 -0.002 0.000 0.990 366 D HN 0.675 nan 8.370 nan 0.000 0.448 367 E N 0.617 120.825 120.200 0.013 0.000 2.501 367 E HA -0.088 4.262 4.350 -0.000 0.000 0.203 367 E C 0.741 177.337 176.600 -0.006 0.000 1.072 367 E CA 0.140 56.545 56.400 0.009 0.000 0.885 367 E CB -0.267 29.454 29.700 0.034 0.000 0.813 367 E HN 0.292 nan 8.360 nan 0.000 0.556 368 L N 0.000 121.208 121.223 -0.025 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 368 L CB 0.000 42.063 42.059 0.007 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502