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 3cxh_1_M 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 0.000 176.897 176.870 0.045 0.000 1.165 17 L CA 0.000 54.866 54.840 0.044 0.000 0.813 17 L CB 0.000 42.079 42.059 0.034 0.000 0.961 18 T N 0.752 115.340 114.554 0.056 0.000 2.870 18 T HA 0.438 4.788 4.350 -0.000 0.000 0.300 18 T C 0.309 175.040 174.700 0.051 0.000 0.989 18 T CA 0.016 62.148 62.100 0.054 0.000 1.139 18 T CB 1.722 70.632 68.868 0.069 0.000 0.920 18 T HN 0.160 nan 8.240 nan 0.000 0.537 19 V N 3.773 123.712 119.914 0.042 0.000 2.419 19 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 19 V C -0.151 175.965 176.094 0.037 0.000 1.017 19 V CA -0.733 61.592 62.300 0.042 0.000 0.844 19 V CB 1.521 33.368 31.823 0.040 0.000 1.011 19 V HN 0.965 nan 8.190 nan 0.000 0.429 20 S N 2.718 118.440 115.700 0.038 0.000 2.648 20 S HA 1.002 5.472 4.470 -0.000 0.000 0.305 20 S C -0.167 174.453 174.600 0.032 0.000 1.094 20 S CA -0.360 57.859 58.200 0.031 0.000 0.983 20 S CB 2.273 65.490 63.200 0.029 0.000 1.101 20 S HN 1.246 nan 8.310 nan 0.000 0.514 21 A N 1.264 124.100 122.820 0.026 0.000 2.597 21 A HA 0.781 5.101 4.320 -0.000 0.000 0.292 21 A C -1.339 176.255 177.584 0.016 0.000 1.057 21 A CA -0.833 51.220 52.037 0.026 0.000 0.674 21 A CB 1.292 20.316 19.000 0.040 0.000 1.278 21 A HN 0.768 nan 8.150 nan 0.000 0.416 22 R N 1.543 122.049 120.500 0.010 0.000 2.521 22 R HA 0.444 4.784 4.340 -0.000 0.000 0.295 22 R C -1.224 175.075 176.300 -0.002 0.000 1.183 22 R CA -0.371 55.731 56.100 0.003 0.000 0.957 22 R CB 0.940 31.239 30.300 -0.002 0.000 1.171 22 R HN 0.862 nan 8.270 nan 0.000 0.494 23 D N 2.449 122.850 120.400 0.003 0.000 2.363 23 D HA 0.544 5.184 4.640 -0.000 0.000 0.240 23 D C -0.924 175.371 176.300 -0.008 0.000 1.236 23 D CA 0.641 54.641 54.000 0.001 0.000 0.927 23 D CB 1.371 42.175 40.800 0.008 0.000 1.150 23 D HN 0.691 nan 8.370 nan 0.000 0.458 24 A N 1.241 124.054 122.820 -0.011 0.000 2.583 24 A HA 0.456 4.775 4.320 -0.000 0.000 0.292 24 A C -2.684 174.891 177.584 -0.015 0.000 1.045 24 A CA -0.975 51.053 52.037 -0.016 0.000 0.672 24 A CB 1.567 20.551 19.000 -0.026 0.000 1.283 24 A HN 0.503 nan 8.150 nan 0.000 0.419 25 P HA 0.196 nan 4.420 nan 0.000 0.214 25 P C 0.246 177.533 177.300 -0.020 0.000 1.807 25 P CA 0.353 63.445 63.100 -0.013 0.000 0.921 25 P CB -0.296 31.399 31.700 -0.009 0.000 1.835 26 T N -2.104 112.432 114.554 -0.031 0.000 2.892 26 T HA 0.399 4.749 4.350 -0.000 0.000 0.280 26 T C 1.087 175.760 174.700 -0.045 0.000 1.004 26 T CA -0.498 61.576 62.100 -0.043 0.000 0.950 26 T CB 1.484 70.315 68.868 -0.061 0.000 1.309 26 T HN -0.198 nan 8.240 nan 0.000 0.592 27 K N -0.695 119.670 120.400 -0.058 0.000 2.335 27 K HA 0.355 4.675 4.320 -0.000 0.000 0.195 27 K C 0.185 176.728 176.600 -0.095 0.000 1.058 27 K CA 0.194 56.446 56.287 -0.058 0.000 0.988 27 K CB 0.331 32.802 32.500 -0.049 0.000 0.880 27 K HN 0.505 nan 8.250 nan 0.000 0.513 28 I N 1.160 121.647 120.570 -0.138 0.000 2.530 28 I HA 0.254 4.424 4.170 -0.000 0.000 0.297 28 I C 0.005 175.930 176.117 -0.321 0.000 1.011 28 I CA -0.436 60.724 61.300 -0.233 0.000 1.107 28 I CB 1.846 39.723 38.000 -0.205 0.000 1.285 28 I HN -0.185 nan 8.210 nan 0.000 0.436 29 S N 2.970 118.315 115.700 -0.591 0.000 2.634 29 S HA 0.709 5.178 4.470 -0.000 0.000 0.296 29 S C -0.341 173.736 174.600 -0.871 0.000 1.104 29 S CA -0.549 57.246 58.200 -0.674 0.000 0.920 29 S CB 2.443 65.222 63.200 -0.701 0.000 1.111 29 S HN 0.608 nan 8.310 nan 0.000 0.493 30 T N 2.407 116.661 114.554 -0.500 0.000 2.879 30 T HA 0.483 4.833 4.350 -0.000 0.000 0.290 30 T C -1.578 173.088 174.700 -0.057 0.000 0.993 30 T CA -0.414 61.509 62.100 -0.295 0.000 0.975 30 T CB 0.815 69.577 68.868 -0.177 0.000 0.981 30 T HN 0.307 nan 8.240 nan 0.000 0.439 31 L N 3.494 124.794 121.223 0.129 0.000 2.341 31 L HA 0.892 5.232 4.340 -0.000 0.000 0.278 31 L C -0.754 176.215 176.870 0.165 0.000 1.005 31 L CA -0.544 54.433 54.840 0.228 0.000 0.818 31 L CB 1.176 43.489 42.059 0.423 0.000 1.259 31 L HN 0.822 nan 8.230 nan 0.000 0.418 32 A N 4.588 127.476 122.820 0.113 0.000 2.422 32 A HA 0.708 5.027 4.320 -0.000 0.000 0.302 32 A C -1.321 176.299 177.584 0.060 0.000 1.041 32 A CA -0.440 51.645 52.037 0.081 0.000 0.708 32 A CB 1.868 20.882 19.000 0.023 0.000 1.257 32 A HN 0.358 nan 8.150 nan 0.000 0.414 33 V N 4.377 124.326 119.914 0.058 0.000 2.289 33 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 33 V C -0.209 175.887 176.094 0.004 0.000 1.026 33 V CA -0.738 61.579 62.300 0.028 0.000 0.807 33 V CB 0.937 32.771 31.823 0.017 0.000 1.044 33 V HN 0.796 nan 8.190 nan 0.000 0.443 34 K N 3.019 123.395 120.400 -0.040 0.000 2.368 34 K HA 0.486 4.805 4.320 -0.000 0.000 0.282 34 K C -0.561 176.069 176.600 0.050 0.000 1.035 34 K CA -0.093 56.133 56.287 -0.102 0.000 0.973 34 K CB 1.969 34.254 32.500 -0.359 0.000 0.957 34 K HN 0.375 nan 8.250 nan 0.000 0.474 35 V N 3.818 123.833 119.914 0.168 0.000 2.531 35 V HA 0.095 4.215 4.120 -0.000 0.000 0.301 35 V C 0.154 176.368 176.094 0.199 0.000 1.034 35 V CA -0.872 61.544 62.300 0.193 0.000 0.865 35 V CB 1.536 33.503 31.823 0.239 0.000 0.995 35 V HN 0.705 nan 8.190 nan 0.000 0.424 36 H N 4.146 123.296 119.070 0.134 0.000 3.563 36 H HA 0.186 4.742 4.556 -0.000 0.000 0.219 36 H C 1.000 176.188 175.328 -0.234 0.000 1.771 36 H CA 0.612 56.593 56.048 -0.112 0.000 1.458 36 H CB 0.279 29.840 29.762 -0.336 0.000 1.796 36 H HN 0.834 nan 8.280 nan 0.000 0.652 37 G N 0.993 109.923 108.800 0.216 0.000 4.238 37 G HA2 0.171 4.130 3.960 -0.000 0.000 0.292 37 G HA3 0.171 4.130 3.960 -0.000 0.000 0.292 37 G C 0.937 176.197 174.900 0.599 0.000 1.036 37 G CA -0.055 45.257 45.100 0.353 0.000 0.812 37 G HN 0.524 nan 8.290 nan 0.000 0.489 38 G N 0.614 109.742 108.800 0.546 0.000 2.712 38 G HA2 0.305 4.264 3.960 -0.000 0.000 0.258 38 G HA3 0.305 4.264 3.960 -0.000 0.000 0.258 38 G C 1.487 176.527 174.900 0.234 0.000 1.241 38 G CA 0.614 45.912 45.100 0.331 0.000 0.923 38 G HN 0.597 nan 8.290 nan 0.000 0.548 39 S N -0.716 115.030 115.700 0.078 0.000 2.420 39 S HA -0.209 4.261 4.470 -0.000 0.000 0.237 39 S C 2.057 176.608 174.600 -0.081 0.000 1.023 39 S CA 1.287 59.480 58.200 -0.012 0.000 0.991 39 S CB -0.291 62.875 63.200 -0.058 0.000 0.792 39 S HN 0.633 nan 8.310 nan 0.000 0.488 40 R N 0.503 120.877 120.500 -0.210 0.000 2.152 40 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 40 R C 0.905 176.938 176.300 -0.444 0.000 1.117 40 R CA 1.311 57.153 56.100 -0.431 0.000 0.981 40 R CB -0.273 29.595 30.300 -0.721 0.000 0.870 40 R HN 0.663 nan 8.270 nan 0.000 0.451 41 Y N -0.472 119.885 120.300 0.096 0.000 2.458 41 Y HA 0.341 4.891 4.550 -0.000 0.000 0.256 41 Y C 0.873 176.960 175.900 0.311 0.000 1.159 41 Y CA -0.160 58.047 58.100 0.179 0.000 1.261 41 Y CB 0.329 38.909 38.460 0.199 0.000 1.119 41 Y HN -0.001 nan 8.280 nan 0.000 0.524 42 A N 1.130 124.092 122.820 0.236 0.000 2.545 42 A HA 0.054 4.374 4.320 -0.000 0.000 0.253 42 A C 1.672 179.284 177.584 0.047 0.000 1.074 42 A CA 0.764 52.788 52.037 -0.022 0.000 0.760 42 A CB -0.091 18.806 19.000 -0.173 0.000 1.005 42 A HN 0.515 nan 8.150 nan 0.000 0.506 43 T N 0.716 115.320 114.554 0.083 0.000 2.904 43 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 43 T C 0.706 175.417 174.700 0.018 0.000 1.059 43 T CA 1.349 63.500 62.100 0.085 0.000 1.137 43 T CB -0.159 68.784 68.868 0.125 0.000 0.879 43 T HN 0.616 nan 8.240 nan 0.000 0.467 44 K N 1.112 121.493 120.400 -0.031 0.000 2.426 44 K HA 0.336 4.656 4.320 -0.000 0.000 0.251 44 K C -1.576 175.007 176.600 -0.027 0.000 0.941 44 K CA -0.943 55.333 56.287 -0.019 0.000 0.808 44 K CB 1.698 34.192 32.500 -0.010 0.000 1.265 44 K HN 0.037 nan 8.250 nan 0.000 0.432 45 D N 1.261 121.664 120.400 0.004 0.000 2.479 45 D HA 0.049 4.688 4.640 -0.000 0.000 0.257 45 D C 1.175 177.530 176.300 0.092 0.000 1.230 45 D CA 1.572 55.582 54.000 0.017 0.000 0.912 45 D CB 0.452 41.253 40.800 0.001 0.000 1.130 45 D HN 0.858 nan 8.370 nan 0.000 0.515 46 G N 1.246 110.094 108.800 0.079 0.000 2.176 46 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.232 46 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.232 46 G C 1.224 176.152 174.900 0.047 0.000 0.986 46 G CA 0.149 45.368 45.100 0.200 0.000 0.643 46 G HN 0.447 nan 8.290 nan 0.000 0.522 47 V N 0.847 120.678 119.914 -0.138 0.000 2.515 47 V HA 0.055 4.174 4.120 -0.000 0.000 0.250 47 V C 3.172 179.012 176.094 -0.423 0.000 1.058 47 V CA 2.838 64.954 62.300 -0.307 0.000 1.064 47 V CB -0.950 30.617 31.823 -0.426 0.000 0.675 47 V HN 0.938 nan 8.190 nan 0.000 0.461 48 A N -0.328 122.185 122.820 -0.511 0.000 1.933 48 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 48 A C 2.188 179.805 177.584 0.056 0.000 1.175 48 A CA 2.079 53.924 52.037 -0.320 0.000 0.628 48 A CB -0.756 18.155 19.000 -0.148 0.000 0.814 48 A HN 0.670 nan 8.150 nan 0.000 0.444 49 H N 0.447 119.494 119.070 -0.038 0.000 2.293 49 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 49 H C 1.762 177.122 175.328 0.052 0.000 1.082 49 H CA 2.003 58.077 56.048 0.044 0.000 1.308 49 H CB -0.527 29.280 29.762 0.074 0.000 1.375 49 H HN 0.362 nan 8.280 nan 0.000 0.495 50 L N -0.439 120.746 121.223 -0.064 0.000 2.042 50 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 50 L C 2.632 179.581 176.870 0.132 0.000 1.076 50 L CA 1.109 55.879 54.840 -0.117 0.000 0.749 50 L CB -0.577 41.365 42.059 -0.196 0.000 0.893 50 L HN 0.259 nan 8.230 nan 0.000 0.432 51 L N 0.354 121.682 121.223 0.176 0.000 2.083 51 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 51 L C 2.256 179.329 176.870 0.338 0.000 1.083 51 L CA 1.779 56.811 54.840 0.321 0.000 0.752 51 L CB -0.940 41.307 42.059 0.312 0.000 0.899 51 L HN 0.320 nan 8.230 nan 0.000 0.433 52 N N -0.637 118.231 118.700 0.280 0.000 2.188 52 N HA -0.233 4.506 4.740 -0.000 0.000 0.184 52 N C 1.864 177.517 175.510 0.237 0.000 1.018 52 N CA 0.830 54.047 53.050 0.277 0.000 0.858 52 N CB 0.047 38.707 38.487 0.289 0.000 0.989 52 N HN 0.188 nan 8.380 nan 0.000 0.426 53 R N -0.339 120.266 120.500 0.175 0.000 2.276 53 R HA 0.119 4.459 4.340 -0.000 0.000 0.203 53 R C 1.443 177.769 176.300 0.043 0.000 1.017 53 R CA 0.493 56.644 56.100 0.084 0.000 1.010 53 R CB -0.489 29.775 30.300 -0.060 0.000 0.900 53 R HN 0.279 nan 8.270 nan 0.000 0.469 54 F N -0.131 119.854 119.950 0.057 0.000 2.569 54 F HA 0.161 4.688 4.527 -0.000 0.000 0.295 54 F C 0.247 176.003 175.800 -0.072 0.000 1.115 54 F CA -0.099 57.902 58.000 0.002 0.000 1.450 54 F CB 0.203 39.248 39.000 0.075 0.000 1.107 54 F HN -0.019 nan 8.300 nan 0.000 0.563 55 N N 0.411 119.212 118.700 0.169 0.000 2.454 55 N HA 0.026 4.766 4.740 -0.000 0.000 0.254 55 N C -0.401 175.072 175.510 -0.062 0.000 1.228 55 N CA 0.516 53.507 53.050 -0.099 0.000 0.900 55 N CB 0.077 38.439 38.487 -0.209 0.000 1.089 55 N HN 0.153 nan 8.380 nan 0.000 0.449 56 F N -2.171 117.761 119.950 -0.029 0.000 2.699 56 F HA -0.288 4.239 4.527 -0.000 0.000 0.343 56 F C 1.087 176.844 175.800 -0.071 0.000 0.633 56 F CA 0.213 58.158 58.000 -0.093 0.000 1.365 56 F CB -1.018 37.943 39.000 -0.065 0.000 1.795 56 F HN 0.521 nan 8.300 nan 0.000 0.304 57 Q N 0.639 120.479 119.800 0.066 0.000 2.306 57 Q HA 0.239 4.579 4.340 -0.000 0.000 0.175 57 Q C 0.477 176.476 176.000 -0.000 0.000 1.107 57 Q CA -0.136 55.693 55.803 0.042 0.000 1.170 57 Q CB 0.092 28.873 28.738 0.071 0.000 1.376 57 Q HN 0.118 nan 8.270 nan 0.000 0.618 58 N N 1.045 119.745 118.700 -0.001 0.000 2.492 58 N HA 0.060 4.800 4.740 -0.000 0.000 0.260 58 N C -0.349 175.113 175.510 -0.080 0.000 1.215 58 N CA 0.248 53.284 53.050 -0.023 0.000 0.923 58 N CB 0.495 38.984 38.487 0.005 0.000 1.092 58 N HN 0.464 nan 8.380 nan 0.000 0.448 59 T N -1.408 113.104 114.554 -0.071 0.000 2.950 59 T HA 0.344 4.694 4.350 -0.000 0.000 0.288 59 T C 0.996 175.668 174.700 -0.046 0.000 1.035 59 T CA -0.864 61.185 62.100 -0.084 0.000 1.028 59 T CB 0.984 69.801 68.868 -0.084 0.000 1.109 59 T HN 0.217 nan 8.240 nan 0.000 0.514 60 N N 0.723 119.405 118.700 -0.030 0.000 2.430 60 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 60 N C 1.767 177.274 175.510 -0.005 0.000 1.032 60 N CA 1.821 54.866 53.050 -0.008 0.000 0.893 60 N CB -0.332 38.160 38.487 0.008 0.000 0.957 60 N HN 0.930 nan 8.380 nan 0.000 0.442 61 T N -3.654 110.891 114.554 -0.015 0.000 2.955 61 T HA 0.237 4.587 4.350 -0.000 0.000 0.251 61 T C 0.705 175.391 174.700 -0.024 0.000 1.002 61 T CA -0.360 61.729 62.100 -0.018 0.000 0.970 61 T CB 0.757 69.610 68.868 -0.025 0.000 1.091 61 T HN 0.001 nan 8.240 nan 0.000 0.495 62 R N 2.040 122.519 120.500 -0.034 0.000 2.538 62 R HA 0.574 4.914 4.340 -0.000 0.000 0.292 62 R C -0.472 175.814 176.300 -0.024 0.000 1.008 62 R CA -0.260 55.822 56.100 -0.031 0.000 0.896 62 R CB 1.784 32.051 30.300 -0.055 0.000 1.187 62 R HN 0.277 nan 8.270 nan 0.000 0.440 63 S N 2.961 118.659 115.700 -0.004 0.000 2.614 63 S HA 0.350 4.820 4.470 -0.000 0.000 0.265 63 S C 1.302 175.907 174.600 0.009 0.000 1.303 63 S CA -0.183 58.022 58.200 0.007 0.000 1.000 63 S CB 1.626 64.839 63.200 0.021 0.000 0.935 63 S HN 0.783 nan 8.310 nan 0.000 0.551 64 A N 1.161 123.992 122.820 0.018 0.000 1.908 64 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 64 A C 2.038 179.641 177.584 0.032 0.000 1.181 64 A CA 1.684 53.737 52.037 0.028 0.000 0.627 64 A CB -1.083 17.940 19.000 0.039 0.000 0.818 64 A HN 0.996 nan 8.150 nan 0.000 0.445 65 L N -0.076 121.165 121.223 0.031 0.000 2.017 65 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 65 L C 2.289 179.180 176.870 0.035 0.000 1.073 65 L CA 2.761 57.620 54.840 0.031 0.000 0.745 65 L CB -0.576 41.497 42.059 0.024 0.000 0.894 65 L HN 0.437 nan 8.230 nan 0.000 0.432 66 K N -0.979 119.440 120.400 0.032 0.000 2.097 66 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 66 K C 2.149 178.787 176.600 0.063 0.000 1.049 66 K CA 1.669 57.980 56.287 0.039 0.000 0.933 66 K CB -0.295 32.223 32.500 0.029 0.000 0.717 66 K HN 0.324 nan 8.250 nan 0.000 0.442 67 L N 0.739 121.996 121.223 0.057 0.000 2.012 67 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 67 L C 2.018 178.986 176.870 0.163 0.000 1.073 67 L CA 1.515 56.407 54.840 0.088 0.000 0.748 67 L CB -0.494 41.550 42.059 -0.025 0.000 0.891 67 L HN -0.001 nan 8.230 nan 0.000 0.431 68 V N 0.111 120.095 119.914 0.117 0.000 2.261 68 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 68 V C 2.804 178.957 176.094 0.097 0.000 1.047 68 V CA 1.838 64.214 62.300 0.127 0.000 1.015 68 V CB -0.776 31.095 31.823 0.079 0.000 0.642 68 V HN 0.444 nan 8.190 nan 0.000 0.446 69 R N 0.025 120.564 120.500 0.065 0.000 2.081 69 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 69 R C 2.174 178.492 176.300 0.030 0.000 1.131 69 R CA 1.688 57.812 56.100 0.040 0.000 0.960 69 R CB -0.648 29.669 30.300 0.029 0.000 0.856 69 R HN 0.672 nan 8.270 nan 0.000 0.436 70 E N 0.929 121.154 120.200 0.043 0.000 2.046 70 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 70 E C 1.849 178.407 176.600 -0.070 0.000 0.982 70 E CA 1.375 57.773 56.400 -0.003 0.000 0.800 70 E CB 0.135 29.866 29.700 0.052 0.000 0.756 70 E HN 0.338 nan 8.360 nan 0.000 0.449 71 S N 0.326 116.046 115.700 0.032 0.000 2.419 71 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 71 S C 1.697 176.318 174.600 0.036 0.000 1.016 71 S CA 1.060 59.285 58.200 0.042 0.000 0.974 71 S CB -0.246 63.169 63.200 0.359 0.000 0.786 71 S HN 0.284 nan 8.310 nan 0.000 0.492 72 E N 0.656 120.877 120.200 0.035 0.000 2.072 72 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 72 E C 1.810 178.405 176.600 -0.008 0.000 0.985 72 E CA 0.782 57.192 56.400 0.016 0.000 0.801 72 E CB -0.202 29.509 29.700 0.018 0.000 0.750 72 E HN 0.309 nan 8.360 nan 0.000 0.452 73 L N 0.766 121.974 121.223 -0.026 0.000 2.131 73 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 73 L C 2.148 178.986 176.870 -0.053 0.000 1.092 73 L CA 1.401 56.218 54.840 -0.039 0.000 0.759 73 L CB -0.776 41.255 42.059 -0.047 0.000 0.903 73 L HN 0.189 nan 8.230 nan 0.000 0.435 74 L N -1.002 120.171 121.223 -0.085 0.000 2.044 74 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 74 L C 1.230 178.101 176.870 0.002 0.000 1.075 74 L CA 1.158 55.949 54.840 -0.081 0.000 0.747 74 L CB -0.367 41.573 42.059 -0.199 0.000 0.903 74 L HN 0.503 nan 8.230 nan 0.000 0.435 75 G N -0.620 108.195 108.800 0.025 0.000 2.330 75 G HA2 0.097 4.057 3.960 -0.000 0.000 0.125 75 G HA3 0.097 4.057 3.960 -0.000 0.000 0.125 75 G C -0.102 174.800 174.900 0.004 0.000 1.060 75 G CA -0.456 44.652 45.100 0.015 0.000 0.743 75 G HN 0.588 nan 8.290 nan 0.000 0.480 76 G N -1.016 107.793 108.800 0.016 0.000 2.684 76 G HA2 1.047 5.007 3.960 -0.000 0.000 0.290 76 G HA3 1.047 5.007 3.960 -0.000 0.000 0.290 76 G C -0.475 174.343 174.900 -0.136 0.000 1.425 76 G CA 0.603 45.637 45.100 -0.110 0.000 0.822 76 G HN 1.517 nan 8.290 nan 0.000 0.482 77 T N -2.101 112.288 114.554 -0.275 0.000 2.883 77 T HA 0.808 5.158 4.350 -0.000 0.000 0.296 77 T C -1.127 173.293 174.700 -0.467 0.000 1.117 77 T CA -0.755 61.194 62.100 -0.253 0.000 1.006 77 T CB 1.854 70.654 68.868 -0.113 0.000 1.191 77 T HN 0.331 nan 8.240 nan 0.000 0.508 78 F N 0.315 120.149 119.950 -0.194 0.000 2.575 78 F HA 0.905 5.431 4.527 -0.000 0.000 0.330 78 F C 0.164 175.702 175.800 -0.436 0.000 1.056 78 F CA -0.903 56.830 58.000 -0.445 0.000 0.964 78 F CB 2.215 40.517 39.000 -1.162 0.000 1.258 78 F HN 0.683 nan 8.300 nan 0.000 0.484 79 K N 0.329 120.672 120.400 -0.094 0.000 2.589 79 K HA 0.473 4.793 4.320 -0.000 0.000 0.265 79 K C -1.697 175.145 176.600 0.404 0.000 0.935 79 K CA -0.448 55.905 56.287 0.109 0.000 0.850 79 K CB 2.032 34.584 32.500 0.087 0.000 1.372 79 K HN 0.480 nan 8.250 nan 0.000 0.420 80 S N 1.881 117.836 115.700 0.426 0.000 2.552 80 S HA 0.690 5.160 4.470 -0.000 0.000 0.314 80 S C -1.183 173.573 174.600 0.260 0.000 1.099 80 S CA -0.351 58.084 58.200 0.392 0.000 1.070 80 S CB 0.689 64.131 63.200 0.403 0.000 0.998 80 S HN 0.519 nan 8.310 nan 0.000 0.474 81 T N 4.759 119.440 114.554 0.212 0.000 2.855 81 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 81 T C -0.871 173.937 174.700 0.179 0.000 1.007 81 T CA -0.541 61.661 62.100 0.170 0.000 1.009 81 T CB 1.315 70.258 68.868 0.125 0.000 0.983 81 T HN 0.507 nan 8.240 nan 0.000 0.455 82 L N 3.084 124.403 121.223 0.159 0.000 2.287 82 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 82 L C -0.973 175.972 176.870 0.125 0.000 1.022 82 L CA -0.176 54.759 54.840 0.160 0.000 0.814 82 L CB 0.690 42.833 42.059 0.141 0.000 1.217 82 L HN 0.587 nan 8.230 nan 0.000 0.420 83 D N 2.022 122.522 120.400 0.168 0.000 2.569 83 D HA 0.411 5.051 4.640 -0.000 0.000 0.266 83 D C 0.425 176.803 176.300 0.129 0.000 1.164 83 D CA -0.550 53.545 54.000 0.159 0.000 1.071 83 D CB 0.890 41.845 40.800 0.257 0.000 1.183 83 D HN 0.370 nan 8.370 nan 0.000 0.613 84 R N -0.097 120.478 120.500 0.125 0.000 2.240 84 R HA 0.036 4.375 4.340 -0.000 0.000 0.203 84 R C 1.179 177.527 176.300 0.080 0.000 1.011 84 R CA 1.225 57.353 56.100 0.047 0.000 1.007 84 R CB 0.167 30.483 30.300 0.027 0.000 0.911 84 R HN 0.458 nan 8.270 nan 0.000 0.468 85 E N -2.007 118.319 120.200 0.209 0.000 2.288 85 E HA 0.117 4.467 4.350 -0.000 0.000 0.200 85 E C -0.596 176.062 176.600 0.096 0.000 0.880 85 E CA 0.502 56.977 56.400 0.126 0.000 0.971 85 E CB 0.086 29.878 29.700 0.154 0.000 0.954 85 E HN 0.183 nan 8.360 nan 0.000 0.489 86 Y N -0.411 120.023 120.300 0.223 0.000 2.654 86 Y HA 0.579 5.129 4.550 -0.000 0.000 0.327 86 Y C -0.147 175.859 175.900 0.176 0.000 1.122 86 Y CA -1.030 57.163 58.100 0.154 0.000 1.227 86 Y CB 1.387 39.876 38.460 0.048 0.000 1.370 86 Y HN -0.141 nan 8.280 nan 0.000 0.528 87 I N 1.256 122.056 120.570 0.384 0.000 2.503 87 I HA 0.221 4.391 4.170 -0.000 0.000 0.282 87 I C -1.258 174.998 176.117 0.231 0.000 1.059 87 I CA -0.315 61.167 61.300 0.304 0.000 1.081 87 I CB 1.532 39.745 38.000 0.355 0.000 1.210 87 I HN 0.574 nan 8.210 nan 0.000 0.450 88 T N 7.034 121.694 114.554 0.176 0.000 2.758 88 T HA 0.482 4.832 4.350 -0.000 0.000 0.285 88 T C -0.202 174.591 174.700 0.155 0.000 0.981 88 T CA -0.415 61.749 62.100 0.107 0.000 0.965 88 T CB 1.195 70.085 68.868 0.037 0.000 0.927 88 T HN 0.163 nan 8.240 nan 0.000 0.448 89 L N 4.058 125.368 121.223 0.145 0.000 2.315 89 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 89 L C 0.460 177.502 176.870 0.287 0.000 1.088 89 L CA -0.056 54.932 54.840 0.247 0.000 0.899 89 L CB 0.274 42.398 42.059 0.108 0.000 1.277 89 L HN 0.413 nan 8.230 nan 0.000 0.431 90 K N 1.843 122.417 120.400 0.290 0.000 2.095 90 K HA 0.907 5.227 4.320 -0.000 0.000 0.252 90 K C -0.733 176.014 176.600 0.245 0.000 0.977 90 K CA -0.603 55.811 56.287 0.211 0.000 0.900 90 K CB 1.457 34.025 32.500 0.114 0.000 1.060 90 K HN 0.532 nan 8.250 nan 0.000 0.449 91 A N 1.598 124.519 122.820 0.169 0.000 2.437 91 A HA 0.437 4.757 4.320 -0.000 0.000 0.293 91 A C -1.279 176.313 177.584 0.014 0.000 1.038 91 A CA -0.698 51.377 52.037 0.063 0.000 0.708 91 A CB 1.655 20.756 19.000 0.168 0.000 1.251 91 A HN 0.589 nan 8.150 nan 0.000 0.409 92 T N 2.672 117.135 114.554 -0.151 0.000 2.797 92 T HA 0.795 5.144 4.350 -0.000 0.000 0.279 92 T C -0.596 173.908 174.700 -0.327 0.000 0.991 92 T CA -0.044 61.885 62.100 -0.285 0.000 0.979 92 T CB 0.300 69.035 68.868 -0.220 0.000 0.943 92 T HN 1.023 nan 8.240 nan 0.000 0.444 93 F N -0.146 119.525 119.950 -0.466 0.000 3.052 93 F HA 0.620 5.147 4.527 -0.000 0.000 0.323 93 F C -1.937 173.691 175.800 -0.288 0.000 1.178 93 F CA -1.818 55.867 58.000 -0.524 0.000 0.892 93 F CB 0.765 39.078 39.000 -1.145 0.000 1.416 93 F HN 0.256 nan 8.300 nan 0.000 0.488 94 L N 2.613 123.864 121.223 0.045 0.000 2.315 94 L HA 0.280 4.620 4.340 -0.000 0.000 0.283 94 L C 1.606 178.575 176.870 0.164 0.000 1.089 94 L CA -0.319 54.543 54.840 0.036 0.000 0.833 94 L CB 1.074 43.166 42.059 0.056 0.000 1.170 94 L HN 0.851 nan 8.230 nan 0.000 0.442 95 K N 2.058 122.470 120.400 0.019 0.000 2.097 95 K HA -0.304 4.016 4.320 -0.000 0.000 0.223 95 K C 1.009 177.734 176.600 0.209 0.000 1.049 95 K CA 2.541 58.875 56.287 0.079 0.000 0.956 95 K CB 0.067 32.575 32.500 0.013 0.000 0.746 95 K HN 0.691 nan 8.250 nan 0.000 0.461 96 D N 0.448 120.939 120.400 0.152 0.000 2.392 96 D HA -0.082 4.558 4.640 -0.000 0.000 0.228 96 D C 0.286 176.675 176.300 0.148 0.000 1.003 96 D CA 0.800 54.884 54.000 0.140 0.000 0.917 96 D CB -0.017 40.837 40.800 0.089 0.000 0.890 96 D HN 0.327 nan 8.370 nan 0.000 0.532 97 D N 0.117 120.646 120.400 0.215 0.000 2.424 97 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 97 D C 1.989 178.341 176.300 0.087 0.000 1.150 97 D CA -0.293 53.800 54.000 0.155 0.000 0.831 97 D CB 0.517 41.447 40.800 0.217 0.000 0.981 97 D HN 0.106 nan 8.370 nan 0.000 0.500 98 L N 2.627 123.926 121.223 0.128 0.000 2.010 98 L HA -0.157 4.183 4.340 -0.000 0.000 0.219 98 L C -0.757 176.003 176.870 -0.183 0.000 1.077 98 L CA 2.434 57.298 54.840 0.040 0.000 0.773 98 L CB -1.366 40.861 42.059 0.281 0.000 0.892 98 L HN 0.006 nan 8.230 nan 0.000 0.436 99 P HA -0.298 nan 4.420 nan 0.000 0.216 99 P C 1.594 178.679 177.300 -0.357 0.000 1.153 99 P CA 2.012 64.668 63.100 -0.740 0.000 0.858 99 P CB -0.443 30.610 31.700 -1.077 0.000 0.789 100 Y N 0.219 120.290 120.300 -0.382 0.000 2.128 100 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 100 Y C 2.452 178.094 175.900 -0.430 0.000 1.154 100 Y CA 1.837 59.689 58.100 -0.412 0.000 1.149 100 Y CB -1.146 36.996 38.460 -0.530 0.000 0.976 100 Y HN -0.167 nan 8.280 nan 0.000 0.505 101 Y N -1.558 118.675 120.300 -0.112 0.000 2.439 101 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 101 Y C 2.338 178.194 175.900 -0.072 0.000 1.130 101 Y CA 1.004 59.033 58.100 -0.118 0.000 1.254 101 Y CB -0.474 37.616 38.460 -0.617 0.000 1.000 101 Y HN -0.000 nan 8.280 nan 0.000 0.554 102 V N 0.027 119.927 119.914 -0.023 0.000 2.407 102 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 102 V C 1.543 177.607 176.094 -0.050 0.000 1.041 102 V CA 1.982 64.290 62.300 0.014 0.000 1.040 102 V CB -0.546 31.298 31.823 0.034 0.000 0.671 102 V HN 0.434 nan 8.190 nan 0.000 0.455 103 N N 0.397 119.002 118.700 -0.159 0.000 2.188 103 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 103 N C 1.923 177.296 175.510 -0.228 0.000 1.018 103 N CA 1.220 54.147 53.050 -0.205 0.000 0.858 103 N CB -0.311 38.006 38.487 -0.284 0.000 0.989 103 N HN 0.460 nan 8.380 nan 0.000 0.426 104 A N 1.282 123.933 122.820 -0.282 0.000 1.858 104 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 104 A C 2.095 179.618 177.584 -0.101 0.000 1.190 104 A CA 1.082 52.972 52.037 -0.245 0.000 0.617 104 A CB -0.806 18.094 19.000 -0.166 0.000 0.827 104 A HN 0.182 nan 8.150 nan 0.000 0.443 105 L N -0.926 120.323 121.223 0.043 0.000 2.083 105 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 105 L C 3.105 179.927 176.870 -0.080 0.000 1.083 105 L CA 1.054 55.915 54.840 0.034 0.000 0.752 105 L CB -0.787 41.355 42.059 0.137 0.000 0.899 105 L HN 0.483 nan 8.230 nan 0.000 0.433 106 A N 0.272 123.049 122.820 -0.071 0.000 1.877 106 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 106 A C 1.911 179.450 177.584 -0.076 0.000 1.186 106 A CA 1.990 53.980 52.037 -0.078 0.000 0.620 106 A CB -0.548 18.401 19.000 -0.085 0.000 0.822 106 A HN 0.350 nan 8.150 nan 0.000 0.443 107 D N -0.172 120.166 120.400 -0.103 0.000 2.149 107 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 107 D C 2.071 178.324 176.300 -0.078 0.000 0.990 107 D CA 1.417 55.373 54.000 -0.073 0.000 0.839 107 D CB -0.519 40.209 40.800 -0.120 0.000 0.948 107 D HN 0.236 nan 8.370 nan 0.000 0.460 108 V N 1.242 121.053 119.914 -0.170 0.000 2.255 108 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 108 V C 2.678 178.657 176.094 -0.193 0.000 1.051 108 V CA 1.290 63.440 62.300 -0.251 0.000 1.018 108 V CB -0.555 30.998 31.823 -0.449 0.000 0.641 108 V HN 0.220 nan 8.190 nan 0.000 0.445 109 L N -1.828 119.247 121.223 -0.246 0.000 2.131 109 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 109 L C 2.416 179.313 176.870 0.045 0.000 1.092 109 L CA 1.904 56.572 54.840 -0.287 0.000 0.759 109 L CB -0.569 41.256 42.059 -0.389 0.000 0.903 109 L HN 0.397 nan 8.230 nan 0.000 0.435 110 Y N 1.368 121.629 120.300 -0.065 0.000 2.205 110 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 110 Y C 1.997 177.898 175.900 0.001 0.000 1.119 110 Y CA 1.009 59.099 58.100 -0.017 0.000 1.117 110 Y CB 0.398 38.833 38.460 -0.041 0.000 1.037 110 Y HN -0.013 nan 8.280 nan 0.000 0.510 111 K N 0.519 121.008 120.400 0.147 0.000 3.010 111 K HA 0.228 4.548 4.320 -0.000 0.000 0.211 111 K C -0.654 175.926 176.600 -0.035 0.000 1.146 111 K CA -0.130 56.188 56.287 0.052 0.000 1.070 111 K CB -0.119 32.462 32.500 0.135 0.000 0.908 111 K HN 0.012 nan 8.250 nan 0.000 0.463 112 T N 1.517 116.018 114.554 -0.089 0.000 2.853 112 T HA 0.179 4.529 4.350 -0.000 0.000 0.298 112 T C 1.451 175.967 174.700 -0.306 0.000 0.978 112 T CA 0.342 62.259 62.100 -0.305 0.000 1.152 112 T CB 1.365 69.869 68.868 -0.605 0.000 0.914 112 T HN 0.439 nan 8.240 nan 0.000 0.539 113 A N 4.092 126.752 122.820 -0.265 0.000 1.933 113 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 113 A C 0.969 178.502 177.584 -0.085 0.000 1.175 113 A CA 0.758 52.716 52.037 -0.131 0.000 0.628 113 A CB -0.849 18.104 19.000 -0.078 0.000 0.814 113 A HN 0.882 nan 8.150 nan 0.000 0.444 114 F N -0.984 118.837 119.950 -0.216 0.000 2.969 114 F HA -0.181 4.346 4.527 -0.000 0.000 0.273 114 F C 0.367 176.084 175.800 -0.137 0.000 0.986 114 F CA 0.488 58.242 58.000 -0.410 0.000 0.926 114 F CB -1.712 36.967 39.000 -0.534 0.000 0.887 114 F HN 0.105 nan 8.300 nan 0.000 0.816 115 K N 0.567 120.990 120.400 0.038 0.000 2.350 115 K HA 0.135 4.455 4.320 -0.000 0.000 0.279 115 K C -1.315 175.243 176.600 -0.070 0.000 1.027 115 K CA -1.394 54.823 56.287 -0.116 0.000 0.969 115 K CB 0.623 32.855 32.500 -0.447 0.000 0.954 115 K HN -0.043 nan 8.250 nan 0.000 0.474 116 P HA -0.183 nan 4.420 nan 0.000 0.216 116 P C 0.876 178.202 177.300 0.043 0.000 1.150 116 P CA 1.553 64.676 63.100 0.039 0.000 0.843 116 P CB 0.015 31.746 31.700 0.052 0.000 0.787 117 H N -1.080 118.037 119.070 0.078 0.000 2.491 117 H HA 0.031 4.587 4.556 -0.000 0.000 0.290 117 H C 1.477 176.824 175.328 0.031 0.000 1.050 117 H CA 1.049 57.125 56.048 0.046 0.000 1.309 117 H CB -1.259 28.523 29.762 0.033 0.000 1.392 117 H HN 0.222 nan 8.280 nan 0.000 0.554 118 E N 0.169 120.304 120.200 -0.108 0.000 2.152 118 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 118 E C 1.823 178.329 176.600 -0.158 0.000 0.983 118 E CA 0.758 57.124 56.400 -0.057 0.000 0.818 118 E CB -0.007 29.655 29.700 -0.063 0.000 0.758 118 E HN 0.371 nan 8.360 nan 0.000 0.467 119 L N 1.325 122.515 121.223 -0.055 0.000 2.056 119 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 119 L C 2.400 179.229 176.870 -0.069 0.000 1.078 119 L CA 2.213 56.998 54.840 -0.092 0.000 0.749 119 L CB -0.692 41.435 42.059 0.113 0.000 0.901 119 L HN 0.152 nan 8.230 nan 0.000 0.433 120 T N -4.391 110.162 114.554 -0.001 0.000 2.937 120 T HA -0.033 4.317 4.350 -0.000 0.000 0.260 120 T C 1.672 176.376 174.700 0.007 0.000 1.051 120 T CA 0.989 63.096 62.100 0.013 0.000 1.141 120 T CB -0.360 68.534 68.868 0.042 0.000 0.879 120 T HN 0.427 nan 8.240 nan 0.000 0.459 121 E N 0.820 121.031 120.200 0.019 0.000 2.170 121 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 121 E C 1.922 178.510 176.600 -0.020 0.000 0.981 121 E CA 0.891 57.300 56.400 0.015 0.000 0.830 121 E CB 0.202 29.933 29.700 0.052 0.000 0.775 121 E HN 0.463 nan 8.360 nan 0.000 0.470 122 S N -0.653 115.008 115.700 -0.065 0.000 3.249 122 S HA 0.023 4.493 4.470 -0.000 0.000 0.237 122 S C 2.010 176.523 174.600 -0.145 0.000 1.007 122 S CA -0.079 58.063 58.200 -0.097 0.000 0.811 122 S CB 0.056 63.191 63.200 -0.107 0.000 0.832 122 S HN -0.042 nan 8.310 nan 0.000 0.573 123 V N 3.456 123.203 119.914 -0.280 0.000 2.231 123 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 123 V C 2.283 178.259 176.094 -0.195 0.000 1.054 123 V CA 1.877 63.974 62.300 -0.337 0.000 1.015 123 V CB -0.921 30.498 31.823 -0.672 0.000 0.638 123 V HN 0.368 nan 8.190 nan 0.000 0.444 124 L N -0.415 120.719 121.223 -0.148 0.000 2.042 124 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 124 L C 0.152 177.029 176.870 0.010 0.000 1.076 124 L CA 1.867 56.670 54.840 -0.062 0.000 0.749 124 L CB -1.731 40.317 42.059 -0.019 0.000 0.893 124 L HN 0.372 nan 8.230 nan 0.000 0.432 125 P HA -0.140 nan 4.420 nan 0.000 0.217 125 P C 1.423 178.775 177.300 0.086 0.000 1.150 125 P CA 1.620 64.746 63.100 0.044 0.000 0.832 125 P CB 0.033 31.739 31.700 0.011 0.000 0.787 126 A N -0.055 122.798 122.820 0.056 0.000 1.930 126 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 126 A C 2.273 179.981 177.584 0.207 0.000 1.175 126 A CA 1.855 53.974 52.037 0.136 0.000 0.627 126 A CB -1.531 17.511 19.000 0.071 0.000 0.815 126 A HN 0.180 nan 8.150 nan 0.000 0.443 127 A N -0.587 122.276 122.820 0.070 0.000 1.969 127 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 127 A C 2.156 179.907 177.584 0.278 0.000 1.169 127 A CA 1.783 53.851 52.037 0.051 0.000 0.635 127 A CB -0.366 18.504 19.000 -0.218 0.000 0.810 127 A HN 0.416 nan 8.150 nan 0.000 0.445 128 R N -1.455 119.187 120.500 0.235 0.000 2.092 128 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 128 R C 1.937 178.416 176.300 0.299 0.000 1.119 128 R CA 1.821 58.075 56.100 0.257 0.000 0.970 128 R CB -0.760 29.653 30.300 0.189 0.000 0.864 128 R HN 0.684 nan 8.270 nan 0.000 0.440 129 Y N 1.021 121.408 120.300 0.145 0.000 2.163 129 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 129 Y C 1.454 177.433 175.900 0.132 0.000 1.136 129 Y CA 1.840 60.009 58.100 0.114 0.000 1.147 129 Y CB -0.358 38.151 38.460 0.082 0.000 0.987 129 Y HN 0.073 nan 8.280 nan 0.000 0.509 130 D N -0.481 119.922 120.400 0.006 0.000 2.104 130 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 130 D C 1.977 178.270 176.300 -0.012 0.000 0.994 130 D CA 1.932 55.886 54.000 -0.078 0.000 0.830 130 D CB -0.884 40.056 40.800 0.235 0.000 0.959 130 D HN 0.511 nan 8.370 nan 0.000 0.452 131 Y N 1.429 121.758 120.300 0.048 0.000 2.242 131 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 131 Y C 2.237 178.129 175.900 -0.012 0.000 1.137 131 Y CA 1.433 59.546 58.100 0.021 0.000 1.181 131 Y CB -0.383 38.121 38.460 0.073 0.000 0.989 131 Y HN -0.053 nan 8.280 nan 0.000 0.527 132 A N -0.674 122.130 122.820 -0.027 0.000 1.902 132 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 132 A C 2.354 179.843 177.584 -0.158 0.000 1.181 132 A CA 2.063 54.049 52.037 -0.084 0.000 0.623 132 A CB -1.313 17.727 19.000 0.066 0.000 0.818 132 A HN 0.314 nan 8.150 nan 0.000 0.443 133 V N -0.147 119.646 119.914 -0.201 0.000 2.261 133 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 133 V C 3.083 179.060 176.094 -0.195 0.000 1.047 133 V CA 1.999 64.176 62.300 -0.204 0.000 1.015 133 V CB -1.284 30.346 31.823 -0.321 0.000 0.642 133 V HN 0.616 nan 8.190 nan 0.000 0.446 134 A N -0.726 121.954 122.820 -0.233 0.000 1.940 134 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 134 A C 2.296 179.718 177.584 -0.270 0.000 1.176 134 A CA 1.957 53.856 52.037 -0.229 0.000 0.631 134 A CB -0.560 18.316 19.000 -0.206 0.000 0.814 134 A HN 0.589 nan 8.150 nan 0.000 0.446 135 E N -0.643 119.321 120.200 -0.393 0.000 2.265 135 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 135 E C 1.893 178.433 176.600 -0.100 0.000 0.996 135 E CA 1.222 57.407 56.400 -0.358 0.000 0.832 135 E CB -0.022 29.352 29.700 -0.544 0.000 0.756 135 E HN 0.707 nan 8.360 nan 0.000 0.491 136 Q N -0.538 119.225 119.800 -0.062 0.000 2.311 136 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 136 Q C 0.594 176.643 176.000 0.082 0.000 0.954 136 Q CA 0.389 56.238 55.803 0.077 0.000 0.885 136 Q CB 0.281 29.031 28.738 0.021 0.000 0.963 136 Q HN 0.141 nan 8.270 nan 0.000 0.471 137 C N 2.470 121.729 119.300 -0.068 0.000 2.246 137 C HA 0.361 4.821 4.460 -0.000 0.000 0.329 137 C C -1.295 173.545 174.990 -0.251 0.000 1.221 137 C CA -2.260 56.688 59.018 -0.117 0.000 1.697 137 C CB 0.500 28.158 27.740 -0.136 0.000 2.312 137 C HN 0.372 nan 8.230 nan 0.000 0.509 138 P HA -0.129 nan 4.420 nan 0.000 0.222 138 P C 1.434 178.542 177.300 -0.321 0.000 1.147 138 P CA 1.855 64.653 63.100 -0.503 0.000 0.790 138 P CB -0.167 31.270 31.700 -0.438 0.000 0.780 139 V N -1.872 117.875 119.914 -0.279 0.000 2.667 139 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 139 V C 2.262 178.126 176.094 -0.383 0.000 1.065 139 V CA 1.324 63.397 62.300 -0.379 0.000 1.083 139 V CB -1.401 30.074 31.823 -0.580 0.000 0.692 139 V HN -0.038 nan 8.190 nan 0.000 0.468 140 K N 0.920 121.145 120.400 -0.291 0.000 2.155 140 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 140 K C 2.408 178.924 176.600 -0.140 0.000 1.052 140 K CA 1.482 57.645 56.287 -0.207 0.000 0.948 140 K CB -0.194 32.194 32.500 -0.187 0.000 0.728 140 K HN 0.581 nan 8.250 nan 0.000 0.448 141 S N 1.053 116.641 115.700 -0.187 0.000 2.371 141 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 141 S C 2.144 176.702 174.600 -0.070 0.000 1.029 141 S CA 1.087 59.195 58.200 -0.154 0.000 0.978 141 S CB -0.123 62.907 63.200 -0.283 0.000 0.833 141 S HN 0.392 nan 8.310 nan 0.000 0.466 142 A N 1.566 124.353 122.820 -0.055 0.000 1.902 142 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 142 A C 2.043 179.756 177.584 0.215 0.000 1.181 142 A CA 1.682 53.765 52.037 0.075 0.000 0.623 142 A CB -0.575 18.533 19.000 0.180 0.000 0.818 142 A HN 0.581 nan 8.150 nan 0.000 0.443 143 E N -0.596 119.758 120.200 0.257 0.000 2.150 143 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 143 E C 1.341 178.136 176.600 0.325 0.000 0.985 143 E CA 1.187 57.810 56.400 0.371 0.000 0.814 143 E CB -0.102 29.762 29.700 0.274 0.000 0.752 143 E HN 0.512 nan 8.360 nan 0.000 0.466 144 D N -0.090 120.410 120.400 0.167 0.000 2.144 144 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 144 D C 1.973 178.370 176.300 0.161 0.000 0.978 144 D CA 0.743 54.825 54.000 0.137 0.000 0.833 144 D CB 0.099 40.929 40.800 0.051 0.000 0.961 144 D HN 0.146 nan 8.370 nan 0.000 0.470 145 Q N -0.258 119.608 119.800 0.111 0.000 2.046 145 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 145 Q C 2.221 178.271 176.000 0.084 0.000 0.975 145 Q CA 0.545 56.390 55.803 0.070 0.000 0.836 145 Q CB -0.390 28.359 28.738 0.018 0.000 0.896 145 Q HN 0.277 nan 8.270 nan 0.000 0.428 146 L N -0.175 121.110 121.223 0.103 0.000 1.971 146 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 146 L C 2.265 179.157 176.870 0.037 0.000 1.072 146 L CA 1.822 56.684 54.840 0.036 0.000 0.758 146 L CB -1.265 40.799 42.059 0.007 0.000 0.889 146 L HN 0.221 nan 8.230 nan 0.000 0.433 147 Y N -0.849 119.516 120.300 0.109 0.000 2.165 147 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 147 Y C 2.427 178.432 175.900 0.176 0.000 1.155 147 Y CA 1.591 59.820 58.100 0.216 0.000 1.164 147 Y CB -0.600 38.002 38.460 0.237 0.000 0.978 147 Y HN 0.237 nan 8.280 nan 0.000 0.513 148 A N 0.056 123.027 122.820 0.251 0.000 2.015 148 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 148 A C 2.094 179.705 177.584 0.045 0.000 1.163 148 A CA 1.732 53.852 52.037 0.139 0.000 0.646 148 A CB -1.106 17.946 19.000 0.085 0.000 0.806 148 A HN 0.660 nan 8.150 nan 0.000 0.448 149 I N -3.153 117.420 120.570 0.005 0.000 3.081 149 I HA 0.001 4.171 4.170 -0.000 0.000 0.274 149 I C 2.226 178.301 176.117 -0.069 0.000 1.178 149 I CA 1.446 62.708 61.300 -0.063 0.000 1.460 149 I CB -0.775 37.199 38.000 -0.043 0.000 1.137 149 I HN 0.220 nan 8.210 nan 0.000 0.443 150 T N -0.335 114.134 114.554 -0.143 0.000 2.857 150 T HA 0.112 4.462 4.350 -0.000 0.000 0.266 150 T C 0.471 175.012 174.700 -0.265 0.000 1.048 150 T CA 0.610 62.516 62.100 -0.323 0.000 1.139 150 T CB -0.506 67.890 68.868 -0.786 0.000 0.874 150 T HN 0.259 nan 8.240 nan 0.000 0.455 151 F N -0.018 120.094 119.950 0.270 0.000 2.618 151 F HA 0.757 5.284 4.527 -0.000 0.000 0.332 151 F C 1.054 176.973 175.800 0.198 0.000 1.061 151 F CA -1.677 56.502 58.000 0.300 0.000 0.974 151 F CB 1.826 40.935 39.000 0.181 0.000 1.310 151 F HN -0.327 nan 8.300 nan 0.000 0.491 152 R N -0.092 120.634 120.500 0.377 0.000 2.616 152 R HA 0.301 4.641 4.340 -0.000 0.000 0.427 152 R C 0.272 176.641 176.300 0.113 0.000 1.030 152 R CA 0.057 56.246 56.100 0.149 0.000 1.133 152 R CB 0.475 30.753 30.300 -0.037 0.000 1.444 152 R HN 0.725 nan 8.270 nan 0.000 0.578 153 K N -2.651 117.826 120.400 0.128 0.000 1.715 153 K HA 0.059 4.379 4.320 -0.000 0.000 0.119 153 K C 0.682 177.299 176.600 0.028 0.000 2.136 153 K CA 0.462 56.789 56.287 0.067 0.000 0.984 153 K CB 0.305 32.840 32.500 0.059 0.000 2.256 153 K HN 0.191 nan 8.250 nan 0.000 0.370 154 G N 0.873 109.680 108.800 0.011 0.000 2.529 154 G HA2 0.092 4.052 3.960 -0.000 0.000 0.220 154 G HA3 0.092 4.052 3.960 -0.000 0.000 0.220 154 G C 0.852 175.650 174.900 -0.170 0.000 1.976 154 G CA -0.229 44.810 45.100 -0.102 0.000 0.789 154 G HN 0.024 nan 8.290 nan 0.000 0.695 155 L N 1.456 122.517 121.223 -0.270 0.000 2.265 155 L HA 0.043 4.383 4.340 -0.000 0.000 0.215 155 L C 2.686 179.603 176.870 0.077 0.000 1.117 155 L CA 0.752 55.398 54.840 -0.323 0.000 0.782 155 L CB -0.150 41.397 42.059 -0.854 0.000 0.914 155 L HN 0.407 nan 8.230 nan 0.000 0.441 156 G N -1.037 107.886 108.800 0.206 0.000 2.920 156 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.208 156 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.208 156 G C 0.464 175.439 174.900 0.125 0.000 1.159 156 G CA -0.299 44.976 45.100 0.291 0.000 0.784 156 G HN 0.213 nan 8.290 nan 0.000 0.535 157 N N 1.561 120.279 118.700 0.030 0.000 2.518 157 N HA 0.248 4.988 4.740 -0.000 0.000 0.266 157 N C -2.556 172.941 175.510 -0.023 0.000 1.196 157 N CA -1.390 51.657 53.050 -0.006 0.000 0.947 157 N CB 1.014 39.477 38.487 -0.039 0.000 1.098 157 N HN -0.026 nan 8.380 nan 0.000 0.450 158 P HA -0.024 nan 4.420 nan 0.000 0.266 158 P C 0.897 178.176 177.300 -0.036 0.000 1.195 158 P CA -0.269 62.824 63.100 -0.011 0.000 0.768 158 P CB 0.632 32.331 31.700 -0.002 0.000 0.838 159 L N 3.861 125.052 121.223 -0.055 0.000 2.179 159 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 159 L C 0.327 177.142 176.870 -0.092 0.000 1.096 159 L CA 1.691 56.482 54.840 -0.082 0.000 0.779 159 L CB -0.243 41.752 42.059 -0.107 0.000 0.922 159 L HN 0.237 nan 8.230 nan 0.000 0.443 160 L N -2.224 118.961 121.223 -0.063 0.000 2.301 160 L HA 0.265 4.605 4.340 -0.000 0.000 0.264 160 L C -0.942 176.028 176.870 0.168 0.000 1.016 160 L CA -1.106 53.689 54.840 -0.076 0.000 0.821 160 L CB 1.251 43.233 42.059 -0.128 0.000 1.346 160 L HN -0.153 nan 8.230 nan 0.000 0.429 161 Y N 1.606 122.096 120.300 0.317 0.000 2.402 161 Y HA 0.060 4.610 4.550 -0.000 0.000 0.333 161 Y C 0.431 176.256 175.900 -0.125 0.000 1.076 161 Y CA -0.045 58.117 58.100 0.104 0.000 1.299 161 Y CB 0.714 39.229 38.460 0.091 0.000 1.197 161 Y HN 0.683 nan 8.280 nan 0.000 0.517 162 D N 2.649 122.579 120.400 -0.783 0.000 2.520 162 D HA 0.141 4.781 4.640 -0.000 0.000 0.223 162 D C 1.384 177.156 176.300 -0.880 0.000 1.186 162 D CA 0.450 53.851 54.000 -0.997 0.000 0.821 162 D CB 0.210 40.484 40.800 -0.877 0.000 1.072 162 D HN 0.892 nan 8.370 nan 0.000 0.518 163 G N 1.241 109.313 108.800 -1.213 0.000 2.184 163 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 163 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 163 G C 1.300 176.003 174.900 -0.329 0.000 0.975 163 G CA 1.230 45.892 45.100 -0.731 0.000 0.642 163 G HN 0.855 nan 8.290 nan 0.000 0.536 164 V N -1.877 117.864 119.914 -0.288 0.000 2.594 164 V HA 0.254 4.374 4.120 -0.000 0.000 0.253 164 V C 0.856 176.896 176.094 -0.090 0.000 1.069 164 V CA 2.451 64.661 62.300 -0.149 0.000 1.082 164 V CB -0.044 31.707 31.823 -0.119 0.000 0.680 164 V HN 0.611 nan 8.190 nan 0.000 0.469 165 E N 1.897 122.047 120.200 -0.084 0.000 2.186 165 E HA 0.330 4.680 4.350 -0.000 0.000 0.255 165 E C -0.244 176.391 176.600 0.057 0.000 0.881 165 E CA -0.861 55.533 56.400 -0.010 0.000 0.752 165 E CB 0.849 30.550 29.700 0.002 0.000 1.176 165 E HN 0.552 nan 8.360 nan 0.000 0.421 166 R N 2.396 122.933 120.500 0.062 0.000 2.522 166 R HA 0.187 4.527 4.340 -0.000 0.000 0.284 166 R C -0.535 175.837 176.300 0.120 0.000 1.032 166 R CA -0.282 55.892 56.100 0.122 0.000 1.049 166 R CB 0.336 30.678 30.300 0.070 0.000 0.956 166 R HN 0.134 nan 8.270 nan 0.000 0.422 167 V N 2.817 122.819 119.914 0.147 0.000 2.448 167 V HA 0.199 4.319 4.120 -0.000 0.000 0.295 167 V C 0.558 176.633 176.094 -0.032 0.000 1.025 167 V CA -0.645 61.665 62.300 0.018 0.000 0.859 167 V CB 1.676 33.453 31.823 -0.075 0.000 0.988 167 V HN 1.027 nan 8.190 nan 0.000 0.431 168 S N 4.946 120.627 115.700 -0.031 0.000 2.707 168 S HA 0.449 4.919 4.470 -0.000 0.000 0.276 168 S C 1.108 175.680 174.600 -0.047 0.000 1.179 168 S CA -0.583 57.600 58.200 -0.029 0.000 0.992 168 S CB 1.141 64.326 63.200 -0.024 0.000 1.030 168 S HN 0.625 nan 8.310 nan 0.000 0.554 169 L N 0.106 121.313 121.223 -0.027 0.000 2.056 169 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 169 L C 2.800 179.591 176.870 -0.132 0.000 1.078 169 L CA 1.970 56.793 54.840 -0.028 0.000 0.749 169 L CB -0.662 41.404 42.059 0.011 0.000 0.901 169 L HN 0.897 nan 8.230 nan 0.000 0.433 170 Q N 0.463 120.196 119.800 -0.112 0.000 2.061 170 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 170 Q C 1.737 177.642 176.000 -0.158 0.000 0.984 170 Q CA 2.254 57.972 55.803 -0.142 0.000 0.846 170 Q CB -0.281 28.402 28.738 -0.091 0.000 0.902 170 Q HN 0.475 nan 8.270 nan 0.000 0.421 171 D N -0.359 119.975 120.400 -0.111 0.000 2.149 171 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 171 D C 1.905 178.138 176.300 -0.112 0.000 0.990 171 D CA 1.335 55.282 54.000 -0.089 0.000 0.839 171 D CB -0.172 40.590 40.800 -0.063 0.000 0.948 171 D HN 0.396 nan 8.370 nan 0.000 0.460 172 I N 0.722 121.194 120.570 -0.164 0.000 2.252 172 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 172 I C 2.304 178.168 176.117 -0.422 0.000 1.102 172 I CA 1.016 62.198 61.300 -0.197 0.000 1.385 172 I CB -0.128 37.791 38.000 -0.137 0.000 1.064 172 I HN -0.090 nan 8.210 nan 0.000 0.414 173 K N 0.502 120.535 120.400 -0.612 0.000 2.148 173 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 173 K C 1.614 177.957 176.600 -0.430 0.000 1.050 173 K CA 1.248 57.058 56.287 -0.795 0.000 0.942 173 K CB -0.097 31.994 32.500 -0.682 0.000 0.724 173 K HN 0.261 nan 8.250 nan 0.000 0.446 174 D N 0.431 120.676 120.400 -0.258 0.000 2.117 174 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 174 D C 1.562 177.787 176.300 -0.124 0.000 0.982 174 D CA 0.872 54.777 54.000 -0.159 0.000 0.828 174 D CB -0.217 40.528 40.800 -0.091 0.000 0.967 174 D HN 0.069 nan 8.370 nan 0.000 0.464 175 F N 1.477 121.289 119.950 -0.231 0.000 2.293 175 F HA -0.056 4.470 4.527 -0.000 0.000 0.300 175 F C 2.100 177.714 175.800 -0.310 0.000 1.086 175 F CA 1.004 58.880 58.000 -0.206 0.000 1.375 175 F CB 0.005 38.913 39.000 -0.154 0.000 1.045 175 F HN -0.087 nan 8.300 nan 0.000 0.516 176 A N -0.210 122.403 122.820 -0.345 0.000 1.898 176 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 176 A C 2.042 179.345 177.584 -0.469 0.000 1.181 176 A CA 1.791 53.481 52.037 -0.579 0.000 0.620 176 A CB -0.839 17.907 19.000 -0.422 0.000 0.819 176 A HN 0.363 nan 8.150 nan 0.000 0.442 177 D N -0.415 119.794 120.400 -0.318 0.000 2.117 177 D HA -0.147 4.492 4.640 -0.000 0.000 0.197 177 D C 1.928 178.095 176.300 -0.222 0.000 0.987 177 D CA 1.572 55.441 54.000 -0.219 0.000 0.829 177 D CB -0.181 40.510 40.800 -0.182 0.000 0.961 177 D HN 0.619 nan 8.370 nan 0.000 0.460 178 K N 0.654 120.882 120.400 -0.286 0.000 2.103 178 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 178 K C 1.864 178.248 176.600 -0.360 0.000 1.052 178 K CA 0.728 56.843 56.287 -0.286 0.000 0.945 178 K CB 0.228 32.559 32.500 -0.281 0.000 0.722 178 K HN -0.071 nan 8.250 nan 0.000 0.443 179 V N 0.404 119.991 119.914 -0.546 0.000 2.575 179 V HA -0.055 4.065 4.120 -0.000 0.000 0.242 179 V C 0.641 176.657 176.094 -0.129 0.000 1.045 179 V CA 0.505 62.510 62.300 -0.491 0.000 1.065 179 V CB -0.137 31.165 31.823 -0.868 0.000 0.717 179 V HN 0.202 nan 8.190 nan 0.000 0.467 180 Y N 2.410 122.614 120.300 -0.159 0.000 2.594 180 Y HA 0.359 4.908 4.550 -0.000 0.000 0.344 180 Y C 0.643 176.507 175.900 -0.059 0.000 1.185 180 Y CA -0.524 57.530 58.100 -0.076 0.000 1.565 180 Y CB -0.110 38.325 38.460 -0.043 0.000 1.415 180 Y HN 0.288 nan 8.280 nan 0.000 0.488 181 T N -2.273 112.346 114.554 0.108 0.000 2.903 181 T HA 0.299 4.648 4.350 -0.000 0.000 0.299 181 T C 0.598 175.330 174.700 0.053 0.000 1.093 181 T CA -1.222 60.909 62.100 0.053 0.000 1.002 181 T CB 2.183 71.052 68.868 0.001 0.000 1.127 181 T HN 0.389 nan 8.240 nan 0.000 0.488 182 K N 0.280 120.707 120.400 0.045 0.000 2.063 182 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 182 K C 1.829 178.453 176.600 0.041 0.000 1.048 182 K CA 1.502 57.814 56.287 0.043 0.000 0.928 182 K CB -0.012 32.510 32.500 0.037 0.000 0.713 182 K HN 0.590 nan 8.250 nan 0.000 0.442 183 E N 0.535 120.750 120.200 0.025 0.000 2.347 183 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 183 E C 0.888 177.502 176.600 0.023 0.000 1.008 183 E CA 0.720 57.130 56.400 0.017 0.000 0.852 183 E CB -0.123 29.573 29.700 -0.006 0.000 0.783 183 E HN 0.199 nan 8.360 nan 0.000 0.505 184 N N 0.189 118.911 118.700 0.037 0.000 2.279 184 N HA 0.083 4.823 4.740 -0.000 0.000 0.226 184 N C -0.722 174.911 175.510 0.205 0.000 1.126 184 N CA -0.067 53.025 53.050 0.069 0.000 0.846 184 N CB 0.119 38.598 38.487 -0.012 0.000 1.050 184 N HN -0.014 nan 8.380 nan 0.000 0.502 185 L N -3.033 118.296 121.223 0.177 0.000 2.469 185 L HA 0.752 5.091 4.340 -0.000 0.000 0.256 185 L C -1.217 175.739 176.870 0.143 0.000 1.006 185 L CA -0.966 53.977 54.840 0.172 0.000 0.832 185 L CB 1.908 44.027 42.059 0.101 0.000 1.421 185 L HN -0.219 nan 8.230 nan 0.000 0.410 186 E N 0.781 121.050 120.200 0.116 0.000 2.224 186 E HA 0.625 4.975 4.350 -0.000 0.000 0.265 186 E C -1.378 175.249 176.600 0.045 0.000 0.878 186 E CA -0.772 55.679 56.400 0.085 0.000 0.759 186 E CB 2.619 32.377 29.700 0.097 0.000 1.164 186 E HN 0.504 nan 8.360 nan 0.000 0.414 187 V N 2.698 122.641 119.914 0.049 0.000 2.320 187 V HA 0.254 4.374 4.120 -0.000 0.000 0.265 187 V C -0.160 175.962 176.094 0.046 0.000 1.048 187 V CA -0.412 61.918 62.300 0.049 0.000 0.865 187 V CB 0.972 32.831 31.823 0.060 0.000 1.043 187 V HN 0.598 nan 8.190 nan 0.000 0.474 188 S N 4.419 120.139 115.700 0.034 0.000 2.429 188 S HA 0.716 5.186 4.470 -0.000 0.000 0.302 188 S C 0.235 174.862 174.600 0.044 0.000 1.115 188 S CA -0.248 57.968 58.200 0.026 0.000 1.095 188 S CB 0.849 64.045 63.200 -0.007 0.000 0.987 188 S HN 0.919 nan 8.310 nan 0.000 0.474 189 G N 2.731 111.559 108.800 0.048 0.000 2.379 189 G HA2 0.565 4.525 3.960 -0.000 0.000 0.327 189 G HA3 0.565 4.525 3.960 -0.000 0.000 0.327 189 G C -1.243 173.669 174.900 0.019 0.000 1.145 189 G CA -0.513 44.622 45.100 0.058 0.000 0.905 189 G HN 0.606 nan 8.290 nan 0.000 0.466 190 E N 1.407 121.602 120.200 -0.010 0.000 2.218 190 E HA 0.358 4.708 4.350 -0.000 0.000 0.263 190 E C 0.418 176.975 176.600 -0.071 0.000 0.879 190 E CA -0.652 55.724 56.400 -0.041 0.000 0.762 190 E CB 0.683 30.349 29.700 -0.057 0.000 1.166 190 E HN 0.441 nan 8.360 nan 0.000 0.415 191 N N 2.616 121.285 118.700 -0.053 0.000 2.780 191 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 191 N C -1.570 173.914 175.510 -0.043 0.000 1.102 191 N CA 0.925 53.938 53.050 -0.062 0.000 0.697 191 N CB -0.789 37.634 38.487 -0.107 0.000 1.028 191 N HN 0.215 nan 8.380 nan 0.000 0.554 192 V N 0.556 120.469 119.914 -0.003 0.000 2.876 192 V HA 0.431 4.551 4.120 -0.000 0.000 0.312 192 V C 0.587 176.711 176.094 0.050 0.000 1.085 192 V CA -0.987 61.340 62.300 0.045 0.000 0.945 192 V CB 2.179 34.056 31.823 0.089 0.000 1.017 192 V HN 0.102 nan 8.190 nan 0.000 0.428 193 V N 0.741 120.695 119.914 0.066 0.000 2.390 193 V HA 0.232 4.351 4.120 -0.000 0.000 0.260 193 V C 1.262 177.380 176.094 0.040 0.000 1.043 193 V CA 0.296 62.624 62.300 0.046 0.000 1.047 193 V CB -0.008 31.842 31.823 0.046 0.000 1.066 193 V HN 1.047 nan 8.190 nan 0.000 0.481 194 E N 4.241 124.456 120.200 0.026 0.000 2.147 194 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 194 E C 2.073 178.671 176.600 -0.004 0.000 1.005 194 E CA 1.918 58.329 56.400 0.019 0.000 0.810 194 E CB 0.010 29.718 29.700 0.014 0.000 0.736 194 E HN 0.968 nan 8.360 nan 0.000 0.460 195 A N 1.169 123.977 122.820 -0.020 0.000 1.877 195 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 195 A C 1.835 179.353 177.584 -0.110 0.000 1.186 195 A CA 1.938 53.944 52.037 -0.052 0.000 0.620 195 A CB -0.490 18.482 19.000 -0.047 0.000 0.822 195 A HN 0.276 nan 8.150 nan 0.000 0.443 196 D N -0.515 119.811 120.400 -0.124 0.000 2.117 196 D HA -0.097 4.542 4.640 -0.000 0.000 0.198 196 D C 1.855 177.995 176.300 -0.266 0.000 0.982 196 D CA 1.122 54.943 54.000 -0.297 0.000 0.828 196 D CB -0.490 40.223 40.800 -0.145 0.000 0.967 196 D HN 0.317 nan 8.370 nan 0.000 0.464 197 L N 1.452 122.676 121.223 0.002 0.000 2.042 197 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 197 L C 1.832 178.736 176.870 0.057 0.000 1.076 197 L CA 1.828 56.739 54.840 0.119 0.000 0.749 197 L CB -0.358 41.775 42.059 0.123 0.000 0.893 197 L HN -0.130 nan 8.230 nan 0.000 0.432 198 K N -0.999 119.396 120.400 -0.009 0.000 2.097 198 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 198 K C 2.296 178.870 176.600 -0.044 0.000 1.049 198 K CA 1.404 57.683 56.287 -0.013 0.000 0.933 198 K CB -0.187 32.299 32.500 -0.022 0.000 0.717 198 K HN 0.311 nan 8.250 nan 0.000 0.442 199 R N 0.465 120.878 120.500 -0.145 0.000 2.062 199 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 199 R C 2.082 178.318 176.300 -0.107 0.000 1.136 199 R CA 1.425 57.404 56.100 -0.202 0.000 0.948 199 R CB -0.223 29.839 30.300 -0.397 0.000 0.845 199 R HN 0.136 nan 8.270 nan 0.000 0.430 200 F N -0.078 119.879 119.950 0.012 0.000 2.171 200 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 200 F C 2.338 178.135 175.800 -0.005 0.000 1.090 200 F CA 0.479 58.482 58.000 0.005 0.000 1.293 200 F CB -0.092 38.919 39.000 0.018 0.000 1.013 200 F HN -0.105 nan 8.300 nan 0.000 0.486 201 V N 0.137 120.156 119.914 0.175 0.000 2.295 201 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 201 V C 1.684 177.810 176.094 0.053 0.000 1.049 201 V CA 2.088 64.445 62.300 0.095 0.000 1.024 201 V CB -0.528 31.339 31.823 0.073 0.000 0.648 201 V HN 0.231 nan 8.190 nan 0.000 0.447 202 D N -0.131 120.293 120.400 0.040 0.000 2.144 202 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 202 D C 2.226 178.534 176.300 0.014 0.000 0.978 202 D CA 1.116 55.126 54.000 0.017 0.000 0.833 202 D CB -0.191 40.612 40.800 0.004 0.000 0.961 202 D HN 0.546 nan 8.370 nan 0.000 0.470 203 E N 0.501 120.726 120.200 0.041 0.000 2.208 203 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 203 E C 1.027 177.630 176.600 0.005 0.000 0.988 203 E CA 0.342 56.764 56.400 0.038 0.000 0.828 203 E CB 0.084 29.843 29.700 0.098 0.000 0.763 203 E HN 0.226 nan 8.360 nan 0.000 0.478 204 S N 0.041 115.745 115.700 0.006 0.000 2.634 204 S HA 0.095 4.565 4.470 -0.000 0.000 0.261 204 S C 0.874 175.411 174.600 -0.105 0.000 1.271 204 S CA -0.602 57.567 58.200 -0.051 0.000 0.985 204 S CB 0.816 63.996 63.200 -0.033 0.000 0.968 204 S HN -0.002 nan 8.310 nan 0.000 0.568 205 L N 0.850 121.964 121.223 -0.182 0.000 2.622 205 L HA 0.099 4.439 4.340 -0.000 0.000 0.233 205 L C 2.109 178.878 176.870 -0.169 0.000 1.156 205 L CA 0.467 55.116 54.840 -0.318 0.000 0.866 205 L CB -0.943 40.761 42.059 -0.593 0.000 0.980 205 L HN 0.589 nan 8.230 nan 0.000 0.448 206 L N -0.112 121.066 121.223 -0.075 0.000 2.042 206 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 206 L C 2.572 179.447 176.870 0.008 0.000 1.076 206 L CA 2.315 57.147 54.840 -0.013 0.000 0.749 206 L CB -0.941 41.118 42.059 -0.001 0.000 0.893 206 L HN 0.567 nan 8.230 nan 0.000 0.432 207 S N -3.068 112.626 115.700 -0.009 0.000 2.489 207 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 207 S C 1.592 176.197 174.600 0.008 0.000 0.995 207 S CA 0.893 59.096 58.200 0.004 0.000 0.934 207 S CB -0.428 62.771 63.200 -0.001 0.000 0.771 207 S HN 0.399 nan 8.310 nan 0.000 0.522 208 T N 2.222 116.764 114.554 -0.020 0.000 3.088 208 T HA 0.308 4.658 4.350 -0.000 0.000 0.259 208 T C 0.597 175.395 174.700 0.164 0.000 1.122 208 T CA -0.051 62.051 62.100 0.005 0.000 1.095 208 T CB -0.342 68.429 68.868 -0.163 0.000 0.930 208 T HN 0.333 nan 8.240 nan 0.000 0.508 209 L N 3.343 124.674 121.223 0.180 0.000 2.483 209 L HA 0.152 4.492 4.340 -0.000 0.000 0.276 209 L C -1.727 175.215 176.870 0.119 0.000 1.213 209 L CA -1.715 53.257 54.840 0.220 0.000 0.843 209 L CB 0.158 42.312 42.059 0.158 0.000 1.107 209 L HN -0.014 nan 8.230 nan 0.000 0.487 210 P HA 0.048 nan 4.420 nan 0.000 0.271 210 P C -0.814 176.502 177.300 0.027 0.000 1.233 210 P CA -0.360 62.764 63.100 0.039 0.000 0.764 210 P CB 0.810 32.513 31.700 0.006 0.000 0.825 211 A N 4.118 126.952 122.820 0.022 0.000 2.522 211 A HA 0.436 4.756 4.320 -0.000 0.000 0.256 211 A C 1.144 178.727 177.584 -0.001 0.000 1.086 211 A CA 0.540 52.585 52.037 0.014 0.000 0.763 211 A CB -0.456 18.550 19.000 0.011 0.000 1.024 211 A HN 0.652 nan 8.150 nan 0.000 0.502 212 G N 1.809 110.605 108.800 -0.007 0.000 3.134 212 G HA2 0.580 4.539 3.960 -0.000 0.000 0.158 212 G HA3 0.580 4.539 3.960 -0.000 0.000 0.158 212 G C -0.417 174.465 174.900 -0.030 0.000 1.334 212 G CA -0.613 44.472 45.100 -0.025 0.000 1.001 212 G HN 0.666 nan 8.290 nan 0.000 0.600 213 K N 0.285 120.656 120.400 -0.048 0.000 2.578 213 K HA 0.405 4.724 4.320 -0.000 0.000 0.250 213 K C -0.830 175.722 176.600 -0.079 0.000 0.955 213 K CA -0.369 55.886 56.287 -0.053 0.000 0.825 213 K CB 2.064 34.534 32.500 -0.050 0.000 1.151 213 K HN 0.411 nan 8.250 nan 0.000 0.432 214 S N 3.307 118.958 115.700 -0.081 0.000 2.596 214 S HA 0.007 4.476 4.470 -0.000 0.000 0.298 214 S C 1.128 175.629 174.600 -0.165 0.000 1.255 214 S CA -0.299 57.822 58.200 -0.132 0.000 1.083 214 S CB 0.090 63.213 63.200 -0.128 0.000 0.837 214 S HN 0.562 nan 8.310 nan 0.000 0.499 215 L N 5.406 126.480 121.223 -0.249 0.000 2.552 215 L HA 0.086 4.425 4.340 -0.000 0.000 0.227 215 L C 0.509 177.301 176.870 -0.130 0.000 1.146 215 L CA -0.118 54.579 54.840 -0.239 0.000 0.858 215 L CB -0.363 41.407 42.059 -0.482 0.000 0.969 215 L HN 0.462 nan 8.230 nan 0.000 0.451 216 V N 0.594 120.381 119.914 -0.211 0.000 2.493 216 V HA -0.073 4.047 4.120 -0.000 0.000 0.292 216 V C 0.852 176.929 176.094 -0.028 0.000 1.016 216 V CA 0.261 62.496 62.300 -0.108 0.000 1.097 216 V CB 0.795 32.452 31.823 -0.277 0.000 0.947 216 V HN 0.231 nan 8.190 nan 0.000 0.479 217 S N 4.155 119.873 115.700 0.030 0.000 2.513 217 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 217 S C 1.023 175.629 174.600 0.009 0.000 1.254 217 S CA -0.549 57.659 58.200 0.014 0.000 1.053 217 S CB 0.805 64.013 63.200 0.015 0.000 0.958 217 S HN 0.850 nan 8.310 nan 0.000 0.491 218 K N 3.060 123.463 120.400 0.006 0.000 2.076 218 K HA -0.010 4.309 4.320 -0.000 0.000 0.204 218 K C 0.705 177.318 176.600 0.020 0.000 1.051 218 K CA 0.722 57.017 56.287 0.013 0.000 0.949 218 K CB -0.243 32.262 32.500 0.008 0.000 0.726 218 K HN 0.758 nan 8.250 nan 0.000 0.443 219 S N 1.314 117.023 115.700 0.014 0.000 2.564 219 S HA 0.101 4.571 4.470 -0.000 0.000 0.278 219 S C -0.370 174.244 174.600 0.023 0.000 1.333 219 S CA -0.749 57.461 58.200 0.017 0.000 1.048 219 S CB 1.117 64.321 63.200 0.006 0.000 0.900 219 S HN 0.154 nan 8.310 nan 0.000 0.505 220 E N 2.598 122.822 120.200 0.040 0.000 2.414 220 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 220 E C -2.054 174.576 176.600 0.051 0.000 1.000 220 E CA -1.115 55.326 56.400 0.069 0.000 0.914 220 E CB -0.134 29.637 29.700 0.118 0.000 0.948 220 E HN 0.503 nan 8.360 nan 0.000 0.444 221 P HA 0.017 nan 4.420 nan 0.000 0.272 221 P C -0.579 176.778 177.300 0.095 0.000 1.230 221 P CA -0.297 62.830 63.100 0.045 0.000 0.788 221 P CB 0.542 32.222 31.700 -0.033 0.000 0.949 222 K N 1.660 122.072 120.400 0.019 0.000 2.355 222 K HA 0.348 4.668 4.320 -0.000 0.000 0.270 222 K C -0.639 175.971 176.600 0.016 0.000 1.003 222 K CA -0.093 56.097 56.287 -0.160 0.000 0.957 222 K CB 0.045 32.428 32.500 -0.194 0.000 0.939 222 K HN 0.435 nan 8.250 nan 0.000 0.482 223 F N 0.654 120.481 119.950 -0.206 0.000 2.664 223 F HA 0.637 5.163 4.527 -0.000 0.000 0.317 223 F C -1.603 173.867 175.800 -0.550 0.000 1.108 223 F CA -1.512 56.376 58.000 -0.186 0.000 0.957 223 F CB 0.742 39.707 39.000 -0.058 0.000 1.365 223 F HN 0.224 nan 8.300 nan 0.000 0.475 224 F N 1.158 121.251 119.950 0.239 0.000 2.577 224 F HA 0.823 5.350 4.527 -0.000 0.000 0.318 224 F C -0.771 175.091 175.800 0.102 0.000 1.065 224 F CA -1.005 57.075 58.000 0.133 0.000 0.929 224 F CB 2.175 41.194 39.000 0.032 0.000 1.237 224 F HN 0.411 nan 8.300 nan 0.000 0.468 225 L N 0.368 121.735 121.223 0.239 0.000 2.371 225 L HA 0.691 5.031 4.340 -0.000 0.000 0.262 225 L C 0.512 177.408 176.870 0.043 0.000 1.006 225 L CA -0.993 53.910 54.840 0.105 0.000 0.818 225 L CB 2.159 44.272 42.059 0.090 0.000 1.354 225 L HN 0.843 nan 8.230 nan 0.000 0.415 226 G N 0.493 109.260 108.800 -0.056 0.000 2.176 226 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.252 226 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.252 226 G C 0.001 174.875 174.900 -0.045 0.000 1.024 226 G CA -0.176 44.853 45.100 -0.118 0.000 0.755 226 G HN 0.526 nan 8.290 nan 0.000 0.507 227 E N 0.479 120.678 120.200 -0.002 0.000 2.277 227 E HA 0.532 4.881 4.350 -0.000 0.000 0.274 227 E C 0.463 177.093 176.600 0.051 0.000 1.022 227 E CA -0.053 56.359 56.400 0.020 0.000 0.853 227 E CB 1.349 31.057 29.700 0.014 0.000 1.086 227 E HN 0.813 nan 8.360 nan 0.000 0.397 228 E N 1.457 121.693 120.200 0.060 0.000 2.343 228 E HA 0.562 4.912 4.350 -0.000 0.000 0.278 228 E C -1.291 175.343 176.600 0.057 0.000 0.910 228 E CA -0.920 55.542 56.400 0.103 0.000 0.757 228 E CB 1.635 31.460 29.700 0.208 0.000 1.218 228 E HN 0.204 nan 8.360 nan 0.000 0.435 229 N N 0.924 119.636 118.700 0.021 0.000 2.324 229 N HA 0.403 5.143 4.740 -0.000 0.000 0.285 229 N C -1.800 173.690 175.510 -0.034 0.000 1.076 229 N CA -0.677 52.374 53.050 0.001 0.000 0.864 229 N CB 1.805 40.285 38.487 -0.012 0.000 1.632 229 N HN 0.496 nan 8.380 nan 0.000 0.478 230 R N 1.434 121.927 120.500 -0.012 0.000 2.494 230 R HA 0.670 5.010 4.340 -0.000 0.000 0.305 230 R C -1.127 175.164 176.300 -0.015 0.000 0.959 230 R CA -0.958 55.122 56.100 -0.034 0.000 0.864 230 R CB 1.908 32.201 30.300 -0.013 0.000 1.159 230 R HN 0.153 nan 8.270 nan 0.000 0.446 231 V N 3.947 123.846 119.914 -0.025 0.000 2.376 231 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 231 V C 0.110 176.230 176.094 0.044 0.000 1.015 231 V CA -0.920 61.384 62.300 0.006 0.000 0.834 231 V CB 1.467 33.280 31.823 -0.016 0.000 1.001 231 V HN 0.674 nan 8.190 nan 0.000 0.428 232 R N 3.716 124.257 120.500 0.068 0.000 2.537 232 R HA 0.484 4.824 4.340 -0.000 0.000 0.280 232 R C -0.919 175.498 176.300 0.195 0.000 1.058 232 R CA 0.121 56.280 56.100 0.097 0.000 1.057 232 R CB 0.579 30.918 30.300 0.066 0.000 0.973 232 R HN 0.587 nan 8.270 nan 0.000 0.438 233 F N 2.712 122.652 119.950 -0.015 0.000 2.615 233 F HA 0.375 4.901 4.527 -0.000 0.000 0.312 233 F C -1.130 174.660 175.800 -0.016 0.000 1.119 233 F CA -0.918 57.071 58.000 -0.018 0.000 0.979 233 F CB 1.213 40.198 39.000 -0.025 0.000 1.266 233 F HN 0.303 nan 8.300 nan 0.000 0.444 234 I N 6.314 126.486 120.570 -0.663 0.000 2.352 234 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 234 I C 0.614 176.262 176.117 -0.782 0.000 1.036 234 I CA 0.518 61.500 61.300 -0.530 0.000 1.336 234 I CB 0.345 38.114 38.000 -0.386 0.000 1.407 234 I HN 0.903 nan 8.210 nan 0.000 0.497 235 G N 5.512 114.123 108.800 -0.315 0.000 2.236 235 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.231 235 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.231 235 G C -1.315 173.629 174.900 0.074 0.000 1.334 235 G CA -0.862 44.160 45.100 -0.131 0.000 1.137 235 G HN 0.428 nan 8.290 nan 0.000 0.482 236 D N 1.031 121.533 120.400 0.169 0.000 2.414 236 D HA 0.546 5.185 4.640 -0.000 0.000 0.242 236 D C 0.541 176.945 176.300 0.174 0.000 1.129 236 D CA 0.548 54.630 54.000 0.136 0.000 0.885 236 D CB 1.300 42.161 40.800 0.102 0.000 1.198 236 D HN 0.407 nan 8.370 nan 0.000 0.437 237 S N 0.292 116.055 115.700 0.105 0.000 2.616 237 S HA 0.586 5.055 4.470 -0.000 0.000 0.277 237 S C -0.484 174.147 174.600 0.051 0.000 1.234 237 S CA -0.777 57.475 58.200 0.086 0.000 1.028 237 S CB 1.728 64.965 63.200 0.062 0.000 0.988 237 S HN 0.300 nan 8.310 nan 0.000 0.522 238 V N 1.176 121.105 119.914 0.024 0.000 2.777 238 V HA 0.831 4.951 4.120 -0.000 0.000 0.306 238 V C -1.173 174.922 176.094 0.003 0.000 1.112 238 V CA -0.602 61.714 62.300 0.026 0.000 0.917 238 V CB 1.437 33.273 31.823 0.021 0.000 1.018 238 V HN 1.018 nan 8.190 nan 0.000 0.426 239 A N 5.364 128.207 122.820 0.038 0.000 2.303 239 A HA 1.037 5.357 4.320 -0.000 0.000 0.320 239 A C -0.059 177.546 177.584 0.035 0.000 1.192 239 A CA 0.041 52.091 52.037 0.021 0.000 0.821 239 A CB 1.413 20.528 19.000 0.191 0.000 1.188 239 A HN 2.270 nan 8.150 nan 0.000 0.492 240 A N 2.195 124.968 122.820 -0.078 0.000 2.515 240 A HA 0.856 5.175 4.320 -0.000 0.000 0.296 240 A C -0.577 176.960 177.584 -0.079 0.000 1.094 240 A CA -0.512 51.434 52.037 -0.151 0.000 0.718 240 A CB 1.017 19.873 19.000 -0.241 0.000 1.307 240 A HN 1.667 nan 8.150 nan 0.000 0.408 241 I N -1.218 119.256 120.570 -0.159 0.000 2.647 241 I HA 0.905 5.075 4.170 -0.000 0.000 0.295 241 I C -0.052 176.010 176.117 -0.092 0.000 1.078 241 I CA -0.914 60.387 61.300 0.002 0.000 1.048 241 I CB 2.424 40.381 38.000 -0.071 0.000 1.239 241 I HN 0.734 nan 8.210 nan 0.000 0.421 242 G N 5.970 114.789 108.800 0.032 0.000 2.566 242 G HA2 0.771 4.730 3.960 -0.000 0.000 0.311 242 G HA3 0.771 4.730 3.960 -0.000 0.000 0.311 242 G C -1.255 173.680 174.900 0.058 0.000 1.322 242 G CA -0.723 44.361 45.100 -0.027 0.000 0.969 242 G HN 0.636 nan 8.290 nan 0.000 0.490 243 I N 2.380 122.982 120.570 0.054 0.000 2.478 243 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 243 I C -2.546 173.444 176.117 -0.211 0.000 1.042 243 I CA -2.267 59.017 61.300 -0.027 0.000 1.067 243 I CB 3.330 41.364 38.000 0.057 0.000 1.233 243 I HN 0.192 nan 8.210 nan 0.000 0.431 244 P HA 0.135 nan 4.420 nan 0.000 0.276 244 P C -0.807 176.226 177.300 -0.445 0.000 1.235 244 P CA -0.242 62.620 63.100 -0.397 0.000 0.772 244 P CB 0.929 32.160 31.700 -0.781 0.000 0.871 245 V N 1.281 121.024 119.914 -0.285 0.000 2.680 245 V HA 0.497 4.617 4.120 -0.000 0.000 0.309 245 V C -0.163 175.894 176.094 -0.061 0.000 1.052 245 V CA -0.910 61.217 62.300 -0.288 0.000 0.908 245 V CB 1.753 33.335 31.823 -0.401 0.000 1.001 245 V HN 0.371 nan 8.190 nan 0.000 0.431 246 N N 2.825 121.525 118.700 -0.000 0.000 2.326 246 N HA 0.160 4.900 4.740 -0.000 0.000 0.239 246 N C 0.533 176.096 175.510 0.089 0.000 1.301 246 N CA -0.270 52.828 53.050 0.078 0.000 0.909 246 N CB 0.985 39.530 38.487 0.096 0.000 1.156 246 N HN 0.691 nan 8.380 nan 0.000 0.462 247 K N 0.672 121.128 120.400 0.093 0.000 2.097 247 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 247 K C 1.758 178.401 176.600 0.072 0.000 1.049 247 K CA 1.393 57.730 56.287 0.084 0.000 0.933 247 K CB -0.063 32.482 32.500 0.075 0.000 0.717 247 K HN 0.549 nan 8.250 nan 0.000 0.442 248 A N 0.428 123.291 122.820 0.073 0.000 2.081 248 A HA -0.005 4.315 4.320 -0.000 0.000 0.214 248 A C 1.941 179.578 177.584 0.088 0.000 1.158 248 A CA 0.875 52.951 52.037 0.065 0.000 0.724 248 A CB -0.007 19.027 19.000 0.057 0.000 0.826 248 A HN 0.182 nan 8.150 nan 0.000 0.463 249 S N -0.127 115.644 115.700 0.118 0.000 2.631 249 S HA 0.084 4.553 4.470 -0.000 0.000 0.217 249 S C 1.602 176.358 174.600 0.259 0.000 0.958 249 S CA 0.439 58.748 58.200 0.182 0.000 0.920 249 S CB -0.701 62.618 63.200 0.197 0.000 0.776 249 S HN 0.621 nan 8.310 nan 0.000 0.517 250 L N -0.469 120.864 121.223 0.183 0.000 2.341 250 L HA 0.340 4.679 4.340 -0.000 0.000 0.214 250 L C 2.218 179.224 176.870 0.227 0.000 1.115 250 L CA 1.185 56.149 54.840 0.206 0.000 0.820 250 L CB -0.831 41.308 42.059 0.133 0.000 0.944 250 L HN 0.278 nan 8.230 nan 0.000 0.452 251 A N 1.403 124.322 122.820 0.166 0.000 1.972 251 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 251 A C 2.362 180.131 177.584 0.309 0.000 1.169 251 A CA 1.685 53.849 52.037 0.212 0.000 0.635 251 A CB -0.573 18.470 19.000 0.072 0.000 0.810 251 A HN 0.808 nan 8.150 nan 0.000 0.446 252 Q N -2.336 117.578 119.800 0.189 0.000 2.187 252 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 252 Q C 1.710 177.662 176.000 -0.080 0.000 0.957 252 Q CA 1.424 57.259 55.803 0.053 0.000 0.857 252 Q CB -0.553 28.180 28.738 -0.009 0.000 0.929 252 Q HN 0.638 nan 8.270 nan 0.000 0.453 253 Y N 1.272 121.569 120.300 -0.004 0.000 2.439 253 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 253 Y C 2.393 178.325 175.900 0.054 0.000 1.130 253 Y CA 1.063 59.104 58.100 -0.098 0.000 1.254 253 Y CB 0.266 38.704 38.460 -0.036 0.000 1.000 253 Y HN 0.183 nan 8.280 nan 0.000 0.554 254 E N -0.051 120.309 120.200 0.267 0.000 2.072 254 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 254 E C 2.437 179.116 176.600 0.132 0.000 0.982 254 E CA 1.410 57.964 56.400 0.257 0.000 0.803 254 E CB -0.339 29.602 29.700 0.400 0.000 0.755 254 E HN 0.392 nan 8.360 nan 0.000 0.453 255 V N 0.031 119.978 119.914 0.056 0.000 2.871 255 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 255 V C 2.224 178.322 176.094 0.006 0.000 1.082 255 V CA 1.058 63.337 62.300 -0.035 0.000 1.105 255 V CB -0.303 31.462 31.823 -0.098 0.000 0.713 255 V HN 0.133 nan 8.190 nan 0.000 0.473 256 L N 1.852 123.033 121.223 -0.070 0.000 2.027 256 L HA 0.183 4.523 4.340 -0.000 0.000 0.206 256 L C 2.664 179.603 176.870 0.115 0.000 1.074 256 L CA 2.525 57.275 54.840 -0.150 0.000 0.745 256 L CB -1.272 40.396 42.059 -0.651 0.000 0.898 256 L HN 0.304 nan 8.230 nan 0.000 0.433 257 A N -0.408 122.558 122.820 0.245 0.000 1.940 257 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 257 A C 2.097 179.790 177.584 0.180 0.000 1.176 257 A CA 2.230 54.452 52.037 0.310 0.000 0.631 257 A CB -1.058 18.112 19.000 0.283 0.000 0.814 257 A HN 0.705 nan 8.150 nan 0.000 0.446 258 N N -2.309 116.487 118.700 0.159 0.000 2.300 258 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 258 N C 1.636 177.280 175.510 0.224 0.000 1.016 258 N CA 1.194 54.352 53.050 0.179 0.000 0.876 258 N CB -0.254 38.319 38.487 0.143 0.000 0.979 258 N HN 0.656 nan 8.380 nan 0.000 0.432 259 Y N 1.749 122.084 120.300 0.059 0.000 2.109 259 Y HA -0.041 4.509 4.550 -0.000 0.000 0.285 259 Y C 1.725 177.630 175.900 0.008 0.000 1.131 259 Y CA 1.296 59.402 58.100 0.009 0.000 1.121 259 Y CB -0.464 37.977 38.460 -0.031 0.000 0.987 259 Y HN -0.051 nan 8.280 nan 0.000 0.495 260 L N -0.467 120.744 121.223 -0.020 0.000 2.349 260 L HA -0.205 4.134 4.340 -0.000 0.000 0.220 260 L C 1.840 178.656 176.870 -0.090 0.000 1.130 260 L CA 1.704 56.480 54.840 -0.107 0.000 0.791 260 L CB -0.610 41.503 42.059 0.089 0.000 0.918 260 L HN 0.296 nan 8.230 nan 0.000 0.444 261 T N -1.693 112.844 114.554 -0.027 0.000 3.014 261 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 261 T C 1.060 175.751 174.700 -0.014 0.000 1.060 261 T CA 0.335 62.435 62.100 0.000 0.000 1.040 261 T CB 0.228 69.129 68.868 0.054 0.000 0.971 261 T HN 0.421 nan 8.240 nan 0.000 0.497 262 S N 0.844 116.510 115.700 -0.057 0.000 2.681 262 S HA 0.639 5.109 4.470 -0.000 0.000 0.270 262 S C 1.414 175.885 174.600 -0.215 0.000 1.209 262 S CA -0.317 57.798 58.200 -0.143 0.000 0.988 262 S CB 1.148 64.137 63.200 -0.353 0.000 1.006 262 S HN 0.169 nan 8.310 nan 0.000 0.558 263 A N -0.108 122.573 122.820 -0.231 0.000 2.252 263 A HA 0.287 4.607 4.320 -0.000 0.000 0.207 263 A C 1.498 178.964 177.584 -0.196 0.000 1.194 263 A CA 0.093 52.021 52.037 -0.181 0.000 0.809 263 A CB -1.012 17.903 19.000 -0.141 0.000 0.814 263 A HN 0.774 nan 8.150 nan 0.000 0.482 264 L N -1.034 120.036 121.223 -0.255 0.000 2.509 264 L HA 0.108 4.448 4.340 -0.000 0.000 0.222 264 L C 1.114 177.819 176.870 -0.274 0.000 1.123 264 L CA 0.337 55.063 54.840 -0.190 0.000 0.856 264 L CB 0.169 42.171 42.059 -0.096 0.000 0.985 264 L HN 0.358 nan 8.230 nan 0.000 0.456 265 S N -0.442 114.969 115.700 -0.483 0.000 2.478 265 S HA 0.207 4.677 4.470 -0.000 0.000 0.312 265 S C 0.798 175.247 174.600 -0.252 0.000 1.094 265 S CA -0.641 57.231 58.200 -0.545 0.000 1.081 265 S CB 1.409 64.011 63.200 -0.996 0.000 1.007 265 S HN 0.172 nan 8.310 nan 0.000 0.475 266 E N 2.331 122.449 120.200 -0.136 0.000 2.338 266 E HA -0.101 4.248 4.350 -0.000 0.000 0.197 266 E C 0.908 177.467 176.600 -0.069 0.000 1.007 266 E CA 0.887 57.240 56.400 -0.079 0.000 0.849 266 E CB -0.171 29.507 29.700 -0.037 0.000 0.774 266 E HN 0.683 nan 8.360 nan 0.000 0.506 267 L N -1.511 119.663 121.223 -0.081 0.000 2.685 267 L HA 0.196 4.536 4.340 -0.000 0.000 0.233 267 L C 1.714 178.548 176.870 -0.060 0.000 1.173 267 L CA 0.146 54.957 54.840 -0.049 0.000 0.961 267 L CB -0.111 41.938 42.059 -0.017 0.000 1.217 267 L HN -0.135 nan 8.230 nan 0.000 0.478 268 S N -0.463 115.179 115.700 -0.096 0.000 2.406 268 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 268 S C 1.823 176.397 174.600 -0.043 0.000 1.020 268 S CA 0.638 58.788 58.200 -0.082 0.000 0.965 268 S CB -0.976 62.152 63.200 -0.120 0.000 0.798 268 S HN 0.458 nan 8.310 nan 0.000 0.488 269 G N 0.335 109.110 108.800 -0.041 0.000 2.956 269 G HA2 0.276 4.236 3.960 -0.000 0.000 0.207 269 G HA3 0.276 4.236 3.960 -0.000 0.000 0.207 269 G C 0.868 175.761 174.900 -0.011 0.000 1.162 269 G CA 0.117 45.203 45.100 -0.024 0.000 0.796 269 G HN 0.460 nan 8.290 nan 0.000 0.527 270 L N 0.405 121.623 121.223 -0.008 0.000 2.664 270 L HA 0.445 4.784 4.340 -0.000 0.000 0.233 270 L C 0.676 177.556 176.870 0.016 0.000 1.113 270 L CA 0.063 54.906 54.840 0.005 0.000 0.896 270 L CB 0.398 42.460 42.059 0.004 0.000 1.163 270 L HN 0.309 nan 8.230 nan 0.000 0.497 271 I N -5.277 115.301 120.570 0.014 0.000 2.436 271 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 271 I C 0.662 176.800 176.117 0.036 0.000 1.010 271 I CA -0.306 61.013 61.300 0.031 0.000 1.098 271 I CB 1.916 39.934 38.000 0.031 0.000 1.266 271 I HN -0.222 nan 8.210 nan 0.000 0.434 272 S N 3.463 119.196 115.700 0.055 0.000 2.345 272 S HA -0.067 4.403 4.470 -0.000 0.000 0.220 272 S C 0.877 175.507 174.600 0.050 0.000 1.031 272 S CA 1.156 59.383 58.200 0.044 0.000 0.996 272 S CB -0.098 63.128 63.200 0.044 0.000 0.882 272 S HN 0.818 nan 8.310 nan 0.000 0.445 273 S N -0.866 114.898 115.700 0.107 0.000 2.556 273 S HA 0.718 5.188 4.470 -0.000 0.000 0.271 273 S C -1.961 172.730 174.600 0.153 0.000 1.135 273 S CA -0.273 58.001 58.200 0.123 0.000 0.858 273 S CB 1.809 65.069 63.200 0.099 0.000 1.114 273 S HN 0.500 nan 8.310 nan 0.000 0.468 274 A N 3.346 126.201 122.820 0.059 0.000 2.491 274 A HA 0.763 5.082 4.320 -0.000 0.000 0.293 274 A C -1.035 176.490 177.584 -0.098 0.000 1.047 274 A CA -0.814 51.166 52.037 -0.096 0.000 0.735 274 A CB 1.031 19.996 19.000 -0.058 0.000 1.281 274 A HN 0.984 nan 8.150 nan 0.000 0.398 275 K N 0.702 120.966 120.400 -0.227 0.000 2.533 275 K HA 0.838 5.158 4.320 -0.000 0.000 0.284 275 K C -1.871 174.656 176.600 -0.122 0.000 1.025 275 K CA -0.938 55.294 56.287 -0.092 0.000 0.900 275 K CB 1.653 34.155 32.500 0.005 0.000 1.519 275 K HN 0.755 nan 8.250 nan 0.000 0.432 276 L N 1.650 122.901 121.223 0.047 0.000 2.372 276 L HA 0.403 4.743 4.340 -0.000 0.000 0.273 276 L C -1.626 175.285 176.870 0.068 0.000 0.989 276 L CA -0.193 54.717 54.840 0.118 0.000 0.841 276 L CB 1.423 43.624 42.059 0.236 0.000 1.225 276 L HN 0.573 nan 8.230 nan 0.000 0.414 277 D N 5.098 125.536 120.400 0.063 0.000 2.339 277 D HA 0.189 4.829 4.640 -0.000 0.000 0.256 277 D C -0.383 175.804 176.300 -0.188 0.000 1.214 277 D CA 0.193 54.169 54.000 -0.041 0.000 0.877 277 D CB 0.856 41.737 40.800 0.135 0.000 1.111 277 D HN 0.443 nan 8.370 nan 0.000 0.478 278 K N 2.704 122.930 120.400 -0.290 0.000 2.234 278 K HA 0.423 4.743 4.320 -0.000 0.000 0.277 278 K C -0.390 175.960 176.600 -0.416 0.000 1.038 278 K CA -0.429 55.727 56.287 -0.218 0.000 0.888 278 K CB 1.043 33.511 32.500 -0.052 0.000 1.091 278 K HN 0.210 nan 8.250 nan 0.000 0.467 279 F N -0.417 119.589 119.950 0.095 0.000 2.594 279 F HA 0.185 4.712 4.527 -0.000 0.000 0.335 279 F C 1.913 177.757 175.800 0.073 0.000 1.058 279 F CA -0.971 57.076 58.000 0.079 0.000 0.981 279 F CB 1.502 40.522 39.000 0.034 0.000 1.289 279 F HN 0.579 nan 8.300 nan 0.000 0.490 280 T N -3.664 111.053 114.554 0.270 0.000 3.007 280 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 280 T C 0.568 175.348 174.700 0.135 0.000 1.107 280 T CA 1.385 63.587 62.100 0.170 0.000 1.118 280 T CB -0.409 68.546 68.868 0.145 0.000 0.889 280 T HN 0.680 nan 8.240 nan 0.000 0.506 281 D N 0.052 120.539 120.400 0.146 0.000 2.462 281 D HA 0.447 5.087 4.640 -0.000 0.000 0.221 281 D C 1.012 177.381 176.300 0.116 0.000 1.173 281 D CA 0.019 54.077 54.000 0.097 0.000 0.831 281 D CB 0.456 41.282 40.800 0.045 0.000 1.001 281 D HN 0.601 nan 8.370 nan 0.000 0.499 282 G N -0.723 108.179 108.800 0.170 0.000 2.302 282 G HA2 0.396 4.356 3.960 -0.000 0.000 0.264 282 G HA3 0.396 4.356 3.960 -0.000 0.000 0.264 282 G C -0.767 174.302 174.900 0.282 0.000 1.335 282 G CA -0.336 44.873 45.100 0.181 0.000 0.982 282 G HN 0.648 nan 8.290 nan 0.000 0.473 283 G N -1.762 107.200 108.800 0.270 0.000 2.550 283 G HA2 0.703 4.663 3.960 -0.000 0.000 0.293 283 G HA3 0.703 4.663 3.960 -0.000 0.000 0.293 283 G C -2.290 172.774 174.900 0.272 0.000 1.402 283 G CA 0.046 45.352 45.100 0.344 0.000 0.784 283 G HN 1.743 nan 8.290 nan 0.000 0.482 284 L N 0.326 121.696 121.223 0.246 0.000 2.439 284 L HA 0.750 5.090 4.340 -0.000 0.000 0.270 284 L C -1.403 175.503 176.870 0.061 0.000 0.972 284 L CA -0.922 53.977 54.840 0.099 0.000 0.836 284 L CB 1.562 43.602 42.059 -0.032 0.000 1.255 284 L HN 0.558 nan 8.230 nan 0.000 0.404 285 F N 4.540 124.421 119.950 -0.115 0.000 2.420 285 F HA 0.645 5.172 4.527 -0.000 0.000 0.352 285 F C 0.166 175.907 175.800 -0.098 0.000 1.108 285 F CA 0.041 58.002 58.000 -0.065 0.000 1.162 285 F CB 0.986 39.961 39.000 -0.041 0.000 1.118 285 F HN 0.649 nan 8.300 nan 0.000 0.510 286 T N 5.931 120.028 114.554 -0.761 0.000 2.841 286 T HA 0.610 4.959 4.350 -0.000 0.000 0.283 286 T C -1.235 172.868 174.700 -0.996 0.000 1.000 286 T CA -0.830 60.835 62.100 -0.724 0.000 0.977 286 T CB 1.577 70.249 68.868 -0.328 0.000 0.979 286 T HN 0.824 nan 8.240 nan 0.000 0.446 287 L N 3.519 124.179 121.223 -0.939 0.000 2.406 287 L HA 0.766 5.106 4.340 -0.000 0.000 0.272 287 L C -1.944 174.529 176.870 -0.663 0.000 0.980 287 L CA -1.044 53.444 54.840 -0.586 0.000 0.831 287 L CB 1.127 43.056 42.059 -0.217 0.000 1.253 287 L HN 0.740 nan 8.230 nan 0.000 0.406 288 F N 4.077 123.980 119.950 -0.077 0.000 2.532 288 F HA 0.611 5.138 4.527 -0.000 0.000 0.321 288 F C -0.224 175.561 175.800 -0.025 0.000 1.089 288 F CA -0.917 57.055 58.000 -0.047 0.000 0.926 288 F CB 2.146 41.110 39.000 -0.060 0.000 1.168 288 F HN -0.013 nan 8.300 nan 0.000 0.459 289 V N 3.625 123.636 119.914 0.163 0.000 2.349 289 V HA 0.483 4.603 4.120 -0.000 0.000 0.284 289 V C -0.439 175.711 176.094 0.093 0.000 1.014 289 V CA -0.688 61.673 62.300 0.102 0.000 0.826 289 V CB 1.413 33.283 31.823 0.079 0.000 1.009 289 V HN 0.751 nan 8.190 nan 0.000 0.431 290 R N 3.404 123.947 120.500 0.071 0.000 2.562 290 R HA 0.731 5.071 4.340 -0.000 0.000 0.298 290 R C -1.601 174.720 176.300 0.035 0.000 0.961 290 R CA -0.367 55.760 56.100 0.045 0.000 0.881 290 R CB 1.937 32.249 30.300 0.019 0.000 1.159 290 R HN 0.815 nan 8.270 nan 0.000 0.450 291 D N 1.216 121.638 120.400 0.036 0.000 2.685 291 D HA 0.047 4.687 4.640 -0.000 0.000 0.236 291 D C 0.168 176.489 176.300 0.035 0.000 1.233 291 D CA -0.457 53.562 54.000 0.031 0.000 0.760 291 D CB 1.754 42.571 40.800 0.030 0.000 1.410 291 D HN 0.561 nan 8.370 nan 0.000 0.439 292 Q N 0.271 120.088 119.800 0.028 0.000 2.152 292 Q HA -0.051 4.288 4.340 -0.000 0.000 0.206 292 Q C 0.129 176.145 176.000 0.026 0.000 0.985 292 Q CA 1.402 57.220 55.803 0.026 0.000 0.863 292 Q CB -0.090 28.658 28.738 0.017 0.000 0.904 292 Q HN 0.534 nan 8.270 nan 0.000 0.422 293 D N -1.279 119.136 120.400 0.025 0.000 2.350 293 D HA 0.075 4.715 4.640 -0.000 0.000 0.245 293 D C 0.417 176.735 176.300 0.030 0.000 1.036 293 D CA 0.006 54.021 54.000 0.025 0.000 0.848 293 D CB 1.649 42.460 40.800 0.019 0.000 1.307 293 D HN -0.009 nan 8.370 nan 0.000 0.469 294 S N 1.930 117.648 115.700 0.031 0.000 2.400 294 S HA -0.181 4.288 4.470 -0.000 0.000 0.232 294 S C 2.065 176.686 174.600 0.034 0.000 1.025 294 S CA 0.978 59.198 58.200 0.034 0.000 0.993 294 S CB -0.603 62.616 63.200 0.031 0.000 0.808 294 S HN 0.645 nan 8.310 nan 0.000 0.478 295 A N 1.434 124.272 122.820 0.030 0.000 1.940 295 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 295 A C 2.401 180.003 177.584 0.030 0.000 1.176 295 A CA 1.767 53.822 52.037 0.029 0.000 0.631 295 A CB -1.043 17.972 19.000 0.025 0.000 0.814 295 A HN 0.479 nan 8.150 nan 0.000 0.446 296 V N -0.585 119.346 119.914 0.028 0.000 2.453 296 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 296 V C 2.521 178.636 176.094 0.034 0.000 1.048 296 V CA 1.718 64.035 62.300 0.028 0.000 1.049 296 V CB -0.532 31.305 31.823 0.024 0.000 0.672 296 V HN 0.366 nan 8.190 nan 0.000 0.457 297 V N -0.116 119.823 119.914 0.040 0.000 2.427 297 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 297 V C 2.523 178.653 176.094 0.060 0.000 1.051 297 V CA 2.158 64.489 62.300 0.051 0.000 1.048 297 V CB -0.591 31.265 31.823 0.054 0.000 0.666 297 V HN 0.540 nan 8.190 nan 0.000 0.456 298 S N 0.199 115.931 115.700 0.054 0.000 2.338 298 S HA -0.180 4.290 4.470 -0.000 0.000 0.218 298 S C 2.249 176.877 174.600 0.047 0.000 1.032 298 S CA 1.771 60.005 58.200 0.057 0.000 0.999 298 S CB -0.360 62.870 63.200 0.050 0.000 0.905 298 S HN 0.598 nan 8.310 nan 0.000 0.439 299 S N 2.173 117.895 115.700 0.038 0.000 2.383 299 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 299 S C 1.719 176.337 174.600 0.029 0.000 1.030 299 S CA 1.201 59.419 58.200 0.030 0.000 1.002 299 S CB -0.527 62.688 63.200 0.025 0.000 0.829 299 S HN 0.416 nan 8.310 nan 0.000 0.467 300 N N 1.431 120.150 118.700 0.032 0.000 2.051 300 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 300 N C 1.620 177.150 175.510 0.033 0.000 1.049 300 N CA 0.785 53.853 53.050 0.030 0.000 0.845 300 N CB -0.635 37.871 38.487 0.032 0.000 1.031 300 N HN 0.228 nan 8.380 nan 0.000 0.425 301 I N 1.411 122.010 120.570 0.047 0.000 2.335 301 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 301 I C 1.982 178.113 176.117 0.023 0.000 1.129 301 I CA 1.370 62.699 61.300 0.048 0.000 1.402 301 I CB -0.169 37.895 38.000 0.106 0.000 1.069 301 I HN 0.101 nan 8.210 nan 0.000 0.424 302 K N 0.065 120.480 120.400 0.026 0.000 2.026 302 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 302 K C 2.287 178.895 176.600 0.014 0.000 1.048 302 K CA 1.209 57.505 56.287 0.016 0.000 0.929 302 K CB -0.126 32.388 32.500 0.023 0.000 0.713 302 K HN 0.090 nan 8.250 nan 0.000 0.439 303 K N 0.713 121.123 120.400 0.017 0.000 2.148 303 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 303 K C 1.968 178.577 176.600 0.015 0.000 1.050 303 K CA 0.735 57.032 56.287 0.016 0.000 0.942 303 K CB 0.027 32.536 32.500 0.016 0.000 0.724 303 K HN 0.156 nan 8.250 nan 0.000 0.446 304 I N 0.845 121.423 120.570 0.012 0.000 2.163 304 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 304 I C 2.454 178.569 176.117 -0.003 0.000 1.081 304 I CA 0.929 62.235 61.300 0.011 0.000 1.353 304 I CB -1.245 36.760 38.000 0.008 0.000 1.054 304 I HN -0.126 nan 8.210 nan 0.000 0.407 305 V N 1.521 121.416 119.914 -0.031 0.000 2.343 305 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 305 V C 2.879 178.973 176.094 -0.000 0.000 1.051 305 V CA 1.826 64.092 62.300 -0.057 0.000 1.036 305 V CB -1.176 30.611 31.823 -0.061 0.000 0.654 305 V HN 0.461 nan 8.190 nan 0.000 0.451 306 A N 0.100 122.928 122.820 0.012 0.000 1.883 306 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 306 A C 1.954 179.549 177.584 0.018 0.000 1.186 306 A CA 2.314 54.362 52.037 0.019 0.000 0.624 306 A CB -0.737 18.273 19.000 0.017 0.000 0.822 306 A HN 0.538 nan 8.150 nan 0.000 0.444 307 D N -0.375 120.038 120.400 0.022 0.000 2.219 307 D HA -0.027 4.612 4.640 -0.000 0.000 0.205 307 D C 1.776 178.102 176.300 0.043 0.000 0.970 307 D CA 0.637 54.657 54.000 0.032 0.000 0.851 307 D CB -0.172 40.653 40.800 0.041 0.000 0.943 307 D HN 0.457 nan 8.370 nan 0.000 0.488 308 L N 0.289 121.539 121.223 0.046 0.000 2.240 308 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 308 L C 2.134 179.001 176.870 -0.005 0.000 1.106 308 L CA 0.598 55.480 54.840 0.070 0.000 0.793 308 L CB -0.104 42.019 42.059 0.107 0.000 0.927 308 L HN -0.099 nan 8.230 nan 0.000 0.446 309 K N 0.717 121.112 120.400 -0.008 0.000 2.209 309 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 309 K C 1.189 177.758 176.600 -0.052 0.000 1.048 309 K CA 0.689 56.960 56.287 -0.027 0.000 0.940 309 K CB -0.197 32.306 32.500 0.005 0.000 0.729 309 K HN 0.141 nan 8.250 nan 0.000 0.451 310 K N 1.866 122.246 120.400 -0.033 0.000 2.150 310 K HA 0.061 4.380 4.320 -0.000 0.000 0.261 310 K C -0.398 176.167 176.600 -0.058 0.000 1.127 310 K CA -0.028 56.237 56.287 -0.036 0.000 0.989 310 K CB -0.092 32.401 32.500 -0.011 0.000 1.475 310 K HN 0.023 nan 8.250 nan 0.000 0.391 311 G N 5.669 114.405 108.800 -0.108 0.000 2.198 311 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.280 311 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.280 311 G C -0.128 174.715 174.900 -0.095 0.000 0.954 311 G CA 0.233 45.241 45.100 -0.154 0.000 1.281 311 G HN 0.670 nan 8.290 nan 0.000 0.373 312 K N 1.849 122.213 120.400 -0.060 0.000 2.477 312 K HA 0.552 4.872 4.320 -0.000 0.000 0.255 312 K C -0.914 175.620 176.600 -0.110 0.000 0.952 312 K CA -0.816 55.436 56.287 -0.059 0.000 0.826 312 K CB 2.542 35.027 32.500 -0.025 0.000 1.331 312 K HN 0.293 nan 8.250 nan 0.000 0.437 313 D N 1.385 121.681 120.400 -0.174 0.000 1.671 313 D HA 0.014 4.654 4.640 -0.000 0.000 0.578 313 D C 1.047 177.199 176.300 -0.247 0.000 1.050 313 D CA 0.776 54.575 54.000 -0.335 0.000 1.185 313 D CB 0.231 40.880 40.800 -0.252 0.000 2.086 313 D HN 0.561 nan 8.370 nan 0.000 0.429 314 L N 0.780 121.922 121.223 -0.136 0.000 5.394 314 L HA -0.394 3.946 4.340 -0.000 0.000 0.428 314 L C 0.559 177.383 176.870 -0.077 0.000 0.929 314 L CA 1.539 56.328 54.840 -0.085 0.000 1.462 314 L CB -2.017 40.005 42.059 -0.062 0.000 1.520 314 L HN 0.482 nan 8.230 nan 0.000 0.636 315 S N -4.289 111.343 115.700 -0.113 0.000 3.696 315 S HA -0.100 4.370 4.470 -0.000 0.000 0.302 315 S C -1.015 173.559 174.600 -0.042 0.000 1.182 315 S CA 0.499 58.650 58.200 -0.081 0.000 0.857 315 S CB -2.148 61.025 63.200 -0.046 0.000 0.960 315 S HN 0.424 nan 8.310 nan 0.000 0.559 316 P HA 0.353 nan 4.420 nan 0.000 0.233 316 P C 0.978 178.292 177.300 0.023 0.000 1.167 316 P CA 1.155 64.256 63.100 0.002 0.000 0.770 316 P CB -0.067 31.642 31.700 0.016 0.000 0.837 317 A N -1.288 121.553 122.820 0.035 0.000 2.684 317 A HA 0.211 4.531 4.320 -0.000 0.000 0.288 317 A C 1.399 179.011 177.584 0.047 0.000 1.337 317 A CA -0.085 52.003 52.037 0.086 0.000 0.946 317 A CB -1.168 17.936 19.000 0.173 0.000 1.093 317 A HN 0.043 nan 8.150 nan 0.000 0.543 318 I N -0.312 120.264 120.570 0.009 0.000 2.494 318 I HA -0.047 4.123 4.170 -0.000 0.000 0.250 318 I C 1.636 177.727 176.117 -0.042 0.000 1.112 318 I CA 1.080 62.357 61.300 -0.039 0.000 1.438 318 I CB -0.001 37.991 38.000 -0.013 0.000 1.111 318 I HN 0.349 nan 8.210 nan 0.000 0.431 319 N N -0.837 117.873 118.700 0.017 0.000 2.457 319 N HA -0.174 4.565 4.740 -0.000 0.000 0.180 319 N C 1.695 177.233 175.510 0.046 0.000 1.050 319 N CA 0.853 53.917 53.050 0.024 0.000 0.906 319 N CB -0.132 38.380 38.487 0.041 0.000 0.968 319 N HN 0.450 nan 8.380 nan 0.000 0.445 320 Y N 1.343 121.603 120.300 -0.067 0.000 2.206 320 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 320 Y C 2.731 178.569 175.900 -0.103 0.000 1.123 320 Y CA 1.261 59.325 58.100 -0.060 0.000 1.142 320 Y CB -0.290 38.148 38.460 -0.036 0.000 1.006 320 Y HN -0.081 nan 8.280 nan 0.000 0.518 321 T N 0.070 114.561 114.554 -0.106 0.000 2.881 321 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 321 T C 1.766 176.207 174.700 -0.432 0.000 1.068 321 T CA 1.662 63.572 62.100 -0.317 0.000 1.131 321 T CB -0.199 68.417 68.868 -0.420 0.000 0.871 321 T HN 0.330 nan 8.240 nan 0.000 0.479 322 K N 0.272 120.482 120.400 -0.317 0.000 2.062 322 K HA 0.076 4.395 4.320 -0.000 0.000 0.205 322 K C 2.205 178.747 176.600 -0.096 0.000 1.051 322 K CA 0.791 56.979 56.287 -0.165 0.000 0.941 322 K CB -0.258 32.213 32.500 -0.048 0.000 0.719 322 K HN 0.270 nan 8.250 nan 0.000 0.440 323 L N 1.398 122.537 121.223 -0.139 0.000 2.027 323 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 323 L C 1.929 178.692 176.870 -0.179 0.000 1.074 323 L CA 1.832 56.591 54.840 -0.136 0.000 0.745 323 L CB -0.332 41.641 42.059 -0.144 0.000 0.898 323 L HN -0.013 nan 8.230 nan 0.000 0.433 324 K N 0.531 120.748 120.400 -0.305 0.000 2.063 324 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 324 K C 1.956 178.480 176.600 -0.127 0.000 1.048 324 K CA 1.591 57.714 56.287 -0.274 0.000 0.928 324 K CB -0.382 31.888 32.500 -0.384 0.000 0.713 324 K HN 0.370 nan 8.250 nan 0.000 0.442 325 N N -0.463 118.184 118.700 -0.087 0.000 2.512 325 N HA -0.074 4.665 4.740 -0.000 0.000 0.183 325 N C 0.944 176.482 175.510 0.047 0.000 1.073 325 N CA 0.771 53.840 53.050 0.033 0.000 0.911 325 N CB 0.160 38.750 38.487 0.172 0.000 0.964 325 N HN 0.194 nan 8.380 nan 0.000 0.447 326 A N 0.501 123.325 122.820 0.008 0.000 2.208 326 A HA 0.025 4.345 4.320 -0.000 0.000 0.209 326 A C 1.676 179.258 177.584 -0.004 0.000 1.161 326 A CA 0.281 52.326 52.037 0.014 0.000 0.782 326 A CB -0.257 18.746 19.000 0.005 0.000 0.816 326 A HN 0.216 nan 8.150 nan 0.000 0.477 327 V N -2.401 117.501 119.914 -0.020 0.000 3.513 327 V HA 0.147 4.267 4.120 -0.000 0.000 0.311 327 V C 0.177 176.264 176.094 -0.012 0.000 1.218 327 V CA 0.366 62.652 62.300 -0.023 0.000 1.266 327 V CB -0.973 30.828 31.823 -0.037 0.000 1.074 327 V HN 0.326 nan 8.190 nan 0.000 0.421 328 Q N 1.291 121.090 119.800 -0.001 0.000 2.916 328 Q HA 0.410 4.750 4.340 -0.000 0.000 0.314 328 Q C 0.955 176.954 176.000 -0.003 0.000 1.194 328 Q CA 0.110 55.914 55.803 0.001 0.000 1.079 328 Q CB -0.043 28.704 28.738 0.014 0.000 1.322 328 Q HN 0.705 nan 8.270 nan 0.000 0.500 329 N N 0.211 118.905 118.700 -0.010 0.000 2.250 329 N HA -0.143 4.597 4.740 -0.000 0.000 0.181 329 N C 0.636 176.135 175.510 -0.018 0.000 1.017 329 N CA 0.985 54.026 53.050 -0.014 0.000 0.866 329 N CB 0.496 38.972 38.487 -0.019 0.000 0.985 329 N HN 0.386 nan 8.380 nan 0.000 0.429 330 E N 0.786 120.973 120.200 -0.022 0.000 2.285 330 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 330 E C 0.606 177.190 176.600 -0.026 0.000 0.997 330 E CA 0.201 56.584 56.400 -0.028 0.000 0.845 330 E CB -0.172 29.509 29.700 -0.032 0.000 0.782 330 E HN -0.065 nan 8.360 nan 0.000 0.491 331 S N 0.654 116.342 115.700 -0.020 0.000 2.455 331 S HA 0.192 4.662 4.470 -0.000 0.000 0.278 331 S C 0.276 174.869 174.600 -0.011 0.000 1.216 331 S CA -0.648 57.540 58.200 -0.019 0.000 1.055 331 S CB 0.510 63.706 63.200 -0.008 0.000 0.939 331 S HN 0.100 nan 8.310 nan 0.000 0.494 332 V N 4.874 124.779 119.914 -0.016 0.000 3.039 332 V HA 0.278 4.397 4.120 -0.000 0.000 0.369 332 V C 0.480 176.580 176.094 0.009 0.000 1.344 332 V CA 0.120 62.418 62.300 -0.003 0.000 1.270 332 V CB -0.456 31.364 31.823 -0.005 0.000 1.284 332 V HN 0.944 nan 8.190 nan 0.000 0.518 333 S N -1.320 114.390 115.700 0.016 0.000 2.589 333 S HA 0.160 4.630 4.470 -0.000 0.000 0.210 333 S C 0.035 174.671 174.600 0.059 0.000 0.803 333 S CA -0.154 58.073 58.200 0.046 0.000 1.061 333 S CB -0.051 63.184 63.200 0.060 0.000 1.637 333 S HN 0.443 nan 8.310 nan 0.000 0.462 334 S N 1.389 117.114 115.700 0.041 0.000 2.565 334 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 334 S C -1.595 173.027 174.600 0.036 0.000 1.309 334 S CA -0.714 57.509 58.200 0.039 0.000 1.043 334 S CB -0.268 62.949 63.200 0.028 0.000 0.939 334 S HN 0.343 nan 8.310 nan 0.000 0.504 335 P HA 0.188 nan 4.420 nan 0.000 0.302 335 P C -0.498 176.790 177.300 -0.020 0.000 1.301 335 P CA -0.481 62.630 63.100 0.019 0.000 0.770 335 P CB 0.024 31.736 31.700 0.020 0.000 1.458 336 I N -0.092 120.450 120.570 -0.047 0.000 2.556 336 I HA 0.031 4.201 4.170 -0.000 0.000 0.284 336 I C 1.638 177.637 176.117 -0.197 0.000 1.114 336 I CA 0.678 61.923 61.300 -0.091 0.000 1.418 336 I CB -0.007 37.945 38.000 -0.080 0.000 1.394 336 I HN 0.417 nan 8.210 nan 0.000 0.552 337 E N 5.243 125.340 120.200 -0.172 0.000 2.075 337 E HA -0.023 4.326 4.350 -0.000 0.000 0.193 337 E C 1.741 178.187 176.600 -0.258 0.000 0.950 337 E CA 0.123 56.386 56.400 -0.228 0.000 0.859 337 E CB 0.101 29.756 29.700 -0.075 0.000 0.846 337 E HN 0.515 nan 8.360 nan 0.000 0.467 338 L N 2.272 123.426 121.223 -0.115 0.000 2.302 338 L HA -0.266 4.073 4.340 -0.000 0.000 0.218 338 L C 1.793 178.624 176.870 -0.065 0.000 1.100 338 L CA 1.593 56.398 54.840 -0.057 0.000 0.774 338 L CB -1.760 40.282 42.059 -0.028 0.000 0.896 338 L HN 0.355 nan 8.230 nan 0.000 0.439 339 N N -0.657 117.949 118.700 -0.158 0.000 2.223 339 N HA -0.198 4.541 4.740 -0.000 0.000 0.185 339 N C 1.713 177.222 175.510 -0.002 0.000 1.016 339 N CA 0.699 53.681 53.050 -0.113 0.000 0.863 339 N CB -0.133 38.252 38.487 -0.170 0.000 0.983 339 N HN 0.195 nan 8.380 nan 0.000 0.429 340 F N 1.641 121.608 119.950 0.028 0.000 2.202 340 F HA -0.115 4.411 4.527 -0.000 0.000 0.301 340 F C 0.876 176.688 175.800 0.019 0.000 1.082 340 F CA 0.731 58.745 58.000 0.024 0.000 1.313 340 F CB -0.819 38.195 39.000 0.024 0.000 1.024 340 F HN -0.045 nan 8.300 nan 0.000 0.495 341 D N 0.473 120.992 120.400 0.198 0.000 2.941 341 D HA 0.399 5.039 4.640 -0.000 0.000 0.236 341 D C 0.379 176.729 176.300 0.082 0.000 1.147 341 D CA 0.452 54.522 54.000 0.116 0.000 0.975 341 D CB -0.289 40.560 40.800 0.083 0.000 1.162 341 D HN 0.257 nan 8.370 nan 0.000 0.444 342 A N -0.447 122.428 122.820 0.091 0.000 2.799 342 A HA 0.605 4.925 4.320 -0.000 0.000 0.308 342 A C -0.745 176.875 177.584 0.060 0.000 1.108 342 A CA -0.484 51.590 52.037 0.062 0.000 0.600 342 A CB 0.241 19.273 19.000 0.054 0.000 1.452 342 A HN 0.632 nan 8.150 nan 0.000 0.617 343 V N -1.743 118.197 119.914 0.043 0.000 4.015 343 V HA -0.205 3.915 4.120 -0.000 0.000 0.524 343 V C 0.361 176.461 176.094 0.010 0.000 0.686 343 V CA 2.265 64.583 62.300 0.029 0.000 2.034 343 V CB -1.819 30.029 31.823 0.042 0.000 2.413 343 V HN 1.856 nan 8.190 nan 0.000 0.515 344 K N 0.861 121.255 120.400 -0.010 0.000 2.391 344 K HA 0.438 4.758 4.320 -0.000 0.000 0.197 344 K C 0.123 176.690 176.600 -0.056 0.000 1.087 344 K CA 0.209 56.476 56.287 -0.034 0.000 1.012 344 K CB 0.741 33.224 32.500 -0.029 0.000 0.925 344 K HN 0.740 nan 8.250 nan 0.000 0.547 345 D N 0.285 120.660 120.400 -0.042 0.000 2.340 345 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 345 D C -1.954 174.337 176.300 -0.016 0.000 1.001 345 D CA -0.469 53.501 54.000 -0.051 0.000 0.888 345 D CB 1.733 42.496 40.800 -0.061 0.000 1.310 345 D HN 0.123 nan 8.370 nan 0.000 0.474 346 F N 1.626 121.460 119.950 -0.193 0.000 2.561 346 F HA 0.362 4.889 4.527 -0.000 0.000 0.313 346 F C 0.021 175.715 175.800 -0.177 0.000 1.126 346 F CA -0.731 57.128 58.000 -0.235 0.000 0.918 346 F CB 1.125 39.926 39.000 -0.332 0.000 1.199 346 F HN 0.186 nan 8.300 nan 0.000 0.444 347 K N 4.091 123.772 120.400 -1.198 0.000 3.860 347 K HA 0.619 4.939 4.320 -0.000 0.000 0.165 347 K C -1.303 174.578 176.600 -1.198 0.000 1.146 347 K CA -0.079 55.693 56.287 -0.859 0.000 1.673 347 K CB -0.057 32.160 32.500 -0.473 0.000 2.306 347 K HN 0.808 nan 8.250 nan 0.000 0.504 348 L N 0.128 120.917 121.223 -0.724 0.000 5.152 348 L HA 0.246 4.586 4.340 -0.000 0.000 0.244 348 L C -0.410 176.418 176.870 -0.069 0.000 1.146 348 L CA 0.417 55.062 54.840 -0.324 0.000 1.166 348 L CB 0.386 42.365 42.059 -0.133 0.000 1.793 348 L HN 0.796 nan 8.230 nan 0.000 0.550 349 G N 2.625 111.441 108.800 0.027 0.000 3.329 349 G HA2 0.360 4.320 3.960 -0.000 0.000 0.180 349 G HA3 0.360 4.320 3.960 -0.000 0.000 0.180 349 G C -0.417 174.582 174.900 0.166 0.000 1.640 349 G CA -0.437 44.704 45.100 0.068 0.000 1.018 349 G HN 0.369 nan 8.290 nan 0.000 0.581 350 K N 0.347 120.808 120.400 0.102 0.000 2.185 350 K HA 0.481 4.800 4.320 -0.000 0.000 0.271 350 K C -0.829 175.854 176.600 0.139 0.000 1.013 350 K CA -0.094 56.208 56.287 0.025 0.000 0.943 350 K CB 1.170 33.659 32.500 -0.018 0.000 0.998 350 K HN 0.455 nan 8.250 nan 0.000 0.468 351 F N -1.545 118.424 119.950 0.032 0.000 2.789 351 F HA 0.475 5.002 4.527 -0.000 0.000 0.319 351 F C -0.761 175.065 175.800 0.043 0.000 1.168 351 F CA -1.297 56.722 58.000 0.033 0.000 0.934 351 F CB 1.022 40.063 39.000 0.068 0.000 1.375 351 F HN 0.185 nan 8.300 nan 0.000 0.480 352 N N 0.236 119.119 118.700 0.304 0.000 2.370 352 N HA 0.378 5.118 4.740 -0.000 0.000 0.303 352 N C -2.106 173.642 175.510 0.397 0.000 1.103 352 N CA -0.371 52.795 53.050 0.195 0.000 0.848 352 N CB 2.366 40.892 38.487 0.065 0.000 1.235 352 N HN 0.831 nan 8.380 nan 0.000 0.496 353 Y N 0.519 120.905 120.300 0.143 0.000 2.512 353 Y HA 0.569 5.119 4.550 -0.000 0.000 0.348 353 Y C -1.104 174.837 175.900 0.068 0.000 0.990 353 Y CA -0.841 57.351 58.100 0.154 0.000 1.033 353 Y CB 1.281 39.886 38.460 0.240 0.000 1.259 353 Y HN 0.294 nan 8.280 nan 0.000 0.461 354 V N 1.565 121.091 119.914 -0.646 0.000 2.888 354 V HA 1.002 5.121 4.120 -0.000 0.000 0.309 354 V C -1.233 174.390 176.094 -0.786 0.000 1.114 354 V CA -0.646 61.316 62.300 -0.564 0.000 0.940 354 V CB 1.185 32.873 31.823 -0.225 0.000 1.021 354 V HN 1.240 nan 8.190 nan 0.000 0.426 355 A N 3.669 126.181 122.820 -0.513 0.000 2.304 355 A HA 0.896 5.216 4.320 -0.000 0.000 0.314 355 A C -0.777 176.709 177.584 -0.165 0.000 1.187 355 A CA -0.674 51.164 52.037 -0.333 0.000 0.810 355 A CB 1.602 20.455 19.000 -0.245 0.000 1.183 355 A HN 1.422 nan 8.150 nan 0.000 0.487 356 V N 2.693 122.540 119.914 -0.112 0.000 2.487 356 V HA 0.825 4.944 4.120 -0.000 0.000 0.298 356 V C 0.837 176.943 176.094 0.019 0.000 1.028 356 V CA 0.744 63.002 62.300 -0.071 0.000 0.860 356 V CB 0.615 32.348 31.823 -0.150 0.000 0.991 356 V HN 2.013 nan 8.190 nan 0.000 0.427 357 G N 4.702 113.570 108.800 0.114 0.000 2.637 357 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.211 357 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.211 357 G C -0.089 174.872 174.900 0.102 0.000 1.213 357 G CA 0.078 45.294 45.100 0.194 0.000 1.207 357 G HN 0.658 nan 8.290 nan 0.000 0.559 358 D N 1.738 122.177 120.400 0.066 0.000 2.982 358 D HA 0.391 5.031 4.640 -0.000 0.000 0.238 358 D C 2.118 178.427 176.300 0.016 0.000 1.168 358 D CA 0.648 54.669 54.000 0.036 0.000 0.947 358 D CB -0.001 40.818 40.800 0.032 0.000 1.147 358 D HN 0.307 nan 8.370 nan 0.000 0.450 359 V N 0.462 120.380 119.914 0.007 0.000 2.277 359 V HA -0.340 3.780 4.120 -0.000 0.000 0.255 359 V C 2.490 178.557 176.094 -0.045 0.000 1.074 359 V CA 2.124 64.401 62.300 -0.037 0.000 1.058 359 V CB -0.661 31.150 31.823 -0.020 0.000 0.656 359 V HN 0.440 nan 8.190 nan 0.000 0.449 360 S N -0.272 115.435 115.700 0.012 0.000 2.440 360 S HA -0.161 4.308 4.470 -0.000 0.000 0.238 360 S C 1.141 175.771 174.600 0.049 0.000 1.010 360 S CA 1.885 60.115 58.200 0.049 0.000 0.972 360 S CB -0.480 62.752 63.200 0.053 0.000 0.774 360 S HN 0.840 nan 8.310 nan 0.000 0.501 361 N N -0.071 118.642 118.700 0.022 0.000 2.433 361 N HA 0.341 5.081 4.740 -0.000 0.000 0.270 361 N C -1.430 174.089 175.510 0.015 0.000 1.354 361 N CA -0.263 52.806 53.050 0.032 0.000 0.889 361 N CB 0.904 39.411 38.487 0.035 0.000 1.285 361 N HN 0.133 nan 8.380 nan 0.000 0.503 362 L N 0.646 121.849 121.223 -0.033 0.000 2.319 362 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 362 L C -2.205 174.623 176.870 -0.071 0.000 1.011 362 L CA -2.535 52.288 54.840 -0.028 0.000 0.818 362 L CB 1.154 43.190 42.059 -0.038 0.000 1.316 362 L HN -0.058 nan 8.230 nan 0.000 0.432 363 P HA 0.212 nan 4.420 nan 0.000 0.271 363 P C -1.367 175.946 177.300 0.021 0.000 1.218 363 P CA 0.066 63.197 63.100 0.052 0.000 0.780 363 P CB 0.309 32.040 31.700 0.053 0.000 0.901 364 Y N 0.489 120.841 120.300 0.087 0.000 2.458 364 Y HA 0.184 4.734 4.550 -0.000 0.000 0.322 364 Y C 1.524 177.378 175.900 -0.077 0.000 1.259 364 Y CA -0.597 57.568 58.100 0.107 0.000 1.302 364 Y CB 0.428 38.928 38.460 0.068 0.000 1.314 364 Y HN 0.188 nan 8.280 nan 0.000 0.509 365 L N 1.043 122.333 121.223 0.110 0.000 2.083 365 L HA -0.161 4.178 4.340 -0.000 0.000 0.209 365 L C 1.412 178.248 176.870 -0.058 0.000 1.083 365 L CA 1.801 56.581 54.840 -0.100 0.000 0.752 365 L CB -0.806 41.247 42.059 -0.010 0.000 0.899 365 L HN 0.676 nan 8.230 nan 0.000 0.433 366 D N 0.354 120.767 120.400 0.022 0.000 2.158 366 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 366 D C 1.464 177.764 176.300 0.001 0.000 0.995 366 D CA 1.704 55.704 54.000 0.000 0.000 0.846 366 D CB -0.099 40.701 40.800 0.000 0.000 0.941 366 D HN 0.709 nan 8.370 nan 0.000 0.456 367 E N -0.125 120.090 120.200 0.024 0.000 2.349 367 E HA 0.183 4.533 4.350 -0.000 0.000 0.201 367 E C 0.387 176.990 176.600 0.006 0.000 1.087 367 E CA -0.130 56.284 56.400 0.024 0.000 1.128 367 E CB 0.147 29.882 29.700 0.058 0.000 1.188 367 E HN 0.228 nan 8.360 nan 0.000 0.445 368 L N 0.000 121.219 121.223 -0.007 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.849 54.840 0.016 0.000 0.813 368 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502