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 1szs_1_D DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGQA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEV QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.496 175.510 -0.023 0.000 1.280 2 N CA 0.000 53.033 53.050 -0.027 0.000 0.885 2 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 3 S N 0.152 115.822 115.700 -0.050 0.000 2.572 3 S HA 0.451 4.921 4.470 -0.000 0.000 0.274 3 S C 0.200 174.763 174.600 -0.061 0.000 1.150 3 S CA -0.512 57.669 58.200 -0.033 0.000 0.944 3 S CB 0.950 64.131 63.200 -0.032 0.000 1.071 3 S HN 0.468 nan 8.310 nan 0.000 0.479 4 N N 3.554 122.258 118.700 0.006 0.000 2.104 4 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 4 N C 1.315 176.825 175.510 0.001 0.000 1.024 4 N CA 1.462 54.541 53.050 0.048 0.000 0.853 4 N CB -0.227 38.345 38.487 0.141 0.000 1.008 4 N HN 0.686 nan 8.380 nan 0.000 0.424 5 K N 0.921 121.322 120.400 0.002 0.000 2.097 5 K HA -0.105 4.214 4.320 -0.000 0.000 0.205 5 K C 1.931 178.502 176.600 -0.049 0.000 1.050 5 K CA 0.797 57.082 56.287 -0.003 0.000 0.938 5 K CB -0.053 32.449 32.500 0.004 0.000 0.718 5 K HN 0.310 nan 8.250 nan 0.000 0.442 6 E N 1.266 121.418 120.200 -0.080 0.000 2.077 6 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 6 E C 1.913 178.406 176.600 -0.177 0.000 0.989 6 E CA 0.901 57.239 56.400 -0.103 0.000 0.800 6 E CB 0.028 29.669 29.700 -0.098 0.000 0.746 6 E HN 0.227 nan 8.360 nan 0.000 0.452 7 L N 0.128 121.151 121.223 -0.333 0.000 2.093 7 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 7 L C 2.685 179.331 176.870 -0.374 0.000 1.085 7 L CA 0.553 55.004 54.840 -0.648 0.000 0.755 7 L CB -0.315 40.802 42.059 -1.569 0.000 0.904 7 L HN 0.287 nan 8.230 nan 0.000 0.435 8 M N -0.549 118.985 119.600 -0.110 0.000 2.117 8 M HA -0.224 4.256 4.480 -0.000 0.000 0.262 8 M C 2.318 178.643 176.300 0.041 0.000 1.065 8 M CA 1.661 57.029 55.300 0.113 0.000 1.114 8 M CB -0.955 31.719 32.600 0.125 0.000 1.361 8 M HN 0.225 nan 8.290 nan 0.000 0.408 9 Q N 0.649 120.442 119.800 -0.012 0.000 2.084 9 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 9 Q C 1.991 177.985 176.000 -0.010 0.000 0.978 9 Q CA 1.884 57.681 55.803 -0.010 0.000 0.844 9 Q CB -0.163 28.561 28.738 -0.024 0.000 0.898 9 Q HN 0.426 nan 8.270 nan 0.000 0.426 10 R N -0.519 119.960 120.500 -0.035 0.000 2.092 10 R HA -0.036 4.303 4.340 -0.000 0.000 0.231 10 R C 2.476 178.788 176.300 0.019 0.000 1.119 10 R CA 1.257 57.343 56.100 -0.023 0.000 0.970 10 R CB -0.309 29.956 30.300 -0.058 0.000 0.864 10 R HN 0.233 nan 8.270 nan 0.000 0.440 11 R N 0.904 121.438 120.500 0.057 0.000 2.083 11 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 11 R C 2.207 178.547 176.300 0.068 0.000 1.137 11 R CA 2.149 58.319 56.100 0.116 0.000 0.951 11 R CB -0.230 30.204 30.300 0.223 0.000 0.851 11 R HN 0.275 nan 8.270 nan 0.000 0.434 12 S N -0.140 115.589 115.700 0.050 0.000 2.442 12 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 12 S C 1.652 176.266 174.600 0.022 0.000 1.007 12 S CA 0.741 58.960 58.200 0.031 0.000 0.965 12 S CB 0.056 63.270 63.200 0.022 0.000 0.773 12 S HN 0.360 nan 8.310 nan 0.000 0.504 13 Q N 0.425 120.237 119.800 0.020 0.000 2.376 13 Q HA 0.398 4.738 4.340 -0.000 0.000 0.206 13 Q C 1.964 177.975 176.000 0.018 0.000 0.921 13 Q CA 1.141 56.953 55.803 0.014 0.000 0.911 13 Q CB -0.117 28.626 28.738 0.008 0.000 1.032 13 Q HN 0.738 nan 8.270 nan 0.000 0.510 14 A N -0.442 122.394 122.820 0.026 0.000 2.324 14 A HA 0.326 4.646 4.320 -0.000 0.000 0.220 14 A C 0.762 178.366 177.584 0.032 0.000 1.209 14 A CA -0.082 51.972 52.037 0.028 0.000 0.918 14 A CB 0.677 19.695 19.000 0.031 0.000 0.959 14 A HN 0.149 nan 8.150 nan 0.000 0.507 15 I N 1.836 122.428 120.570 0.036 0.000 2.509 15 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 15 I C -2.390 173.743 176.117 0.027 0.000 1.020 15 I CA -2.433 58.888 61.300 0.035 0.000 1.088 15 I CB 2.313 40.340 38.000 0.046 0.000 1.267 15 I HN 0.040 nan 8.210 nan 0.000 0.430 16 P HA 0.087 nan 4.420 nan 0.000 0.268 16 P C 0.093 177.401 177.300 0.013 0.000 1.205 16 P CA -0.346 62.764 63.100 0.016 0.000 0.771 16 P CB 0.616 32.326 31.700 0.017 0.000 0.858 17 R N 1.431 121.935 120.500 0.007 0.000 2.293 17 R HA -0.026 4.313 4.340 -0.000 0.000 0.219 17 R C 1.913 178.211 176.300 -0.004 0.000 1.091 17 R CA 1.299 57.399 56.100 0.001 0.000 1.004 17 R CB -1.363 28.934 30.300 -0.004 0.000 0.865 17 R HN 0.507 nan 8.270 nan 0.000 0.469 18 G N 1.182 109.983 108.800 0.002 0.000 2.471 18 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 18 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 18 G C 0.433 175.337 174.900 0.007 0.000 1.125 18 G CA 0.192 45.294 45.100 0.003 0.000 0.775 18 G HN 0.163 nan 8.290 nan 0.000 0.548 19 V N 1.985 121.902 119.914 0.006 0.000 2.356 19 V HA 0.476 4.595 4.120 -0.000 0.000 0.258 19 V C 1.287 177.374 176.094 -0.012 0.000 1.065 19 V CA -0.550 61.752 62.300 0.004 0.000 0.935 19 V CB 0.234 32.060 31.823 0.005 0.000 1.061 19 V HN 0.249 nan 8.190 nan 0.000 0.484 20 G N 3.780 112.569 108.800 -0.018 0.000 2.699 20 G HA2 0.373 4.333 3.960 -0.000 0.000 0.246 20 G HA3 0.373 4.333 3.960 -0.000 0.000 0.246 20 G C -0.332 174.535 174.900 -0.056 0.000 1.219 20 G CA -0.080 44.996 45.100 -0.040 0.000 0.866 20 G HN 0.634 nan 8.290 nan 0.000 0.572 21 Q N -0.326 119.428 119.800 -0.076 0.000 2.483 21 Q HA 0.271 4.611 4.340 -0.000 0.000 0.245 21 Q C 0.759 176.678 176.000 -0.135 0.000 0.902 21 Q CA -0.620 55.126 55.803 -0.096 0.000 0.767 21 Q CB 0.954 29.649 28.738 -0.072 0.000 1.341 21 Q HN 0.282 nan 8.270 nan 0.000 0.453 22 I N 1.545 122.003 120.570 -0.187 0.000 2.202 22 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 22 I C 0.399 176.231 176.117 -0.474 0.000 1.091 22 I CA 1.179 62.273 61.300 -0.343 0.000 1.368 22 I CB -0.510 37.228 38.000 -0.436 0.000 1.058 22 I HN 0.571 nan 8.210 nan 0.000 0.410 23 H N 2.460 121.466 119.070 -0.107 0.000 2.587 23 H HA 0.250 4.806 4.556 -0.000 0.000 0.325 23 H C -1.836 173.426 175.328 -0.111 0.000 1.012 23 H CA -2.090 53.889 56.048 -0.116 0.000 1.213 23 H CB 1.341 31.006 29.762 -0.162 0.000 1.431 23 H HN 0.042 nan 8.280 nan 0.000 0.492 24 P HA 0.137 nan 4.420 nan 0.000 0.249 24 P C -0.196 177.166 177.300 0.103 0.000 1.686 24 P CA 0.340 63.473 63.100 0.055 0.000 0.873 24 P CB -0.351 31.382 31.700 0.056 0.000 1.828 25 I N 0.207 120.796 120.570 0.031 0.000 2.545 25 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 25 I C -0.223 175.888 176.117 -0.010 0.000 1.040 25 I CA -1.140 60.184 61.300 0.040 0.000 1.068 25 I CB 1.702 39.605 38.000 -0.162 0.000 1.251 25 I HN -0.204 nan 8.210 nan 0.000 0.424 26 F N 4.438 124.367 119.950 -0.035 0.000 2.385 26 F HA 0.559 5.086 4.527 -0.000 0.000 0.360 26 F C 0.737 176.528 175.800 -0.015 0.000 1.122 26 F CA -0.561 57.427 58.000 -0.021 0.000 1.090 26 F CB 1.408 40.408 39.000 -0.000 0.000 1.150 26 F HN 0.415 nan 8.300 nan 0.000 0.472 27 A N 2.674 125.521 122.820 0.046 0.000 2.388 27 A HA 0.292 4.612 4.320 -0.000 0.000 0.257 27 A C 0.636 178.280 177.584 0.100 0.000 1.095 27 A CA -0.055 52.006 52.037 0.040 0.000 0.791 27 A CB 0.392 19.364 19.000 -0.047 0.000 1.029 27 A HN 0.839 nan 8.150 nan 0.000 0.489 28 D N 0.431 120.905 120.400 0.124 0.000 2.597 28 D HA 0.157 4.797 4.640 -0.000 0.000 0.261 28 D C 0.610 176.973 176.300 0.105 0.000 1.023 28 D CA 0.677 54.746 54.000 0.115 0.000 0.927 28 D CB 0.360 41.232 40.800 0.119 0.000 1.168 28 D HN 0.595 nan 8.370 nan 0.000 0.491 29 R N -0.558 120.042 120.500 0.166 0.000 2.799 29 R HA 0.859 5.199 4.340 -0.000 0.000 0.270 29 R C -1.455 174.995 176.300 0.251 0.000 1.010 29 R CA -0.990 55.219 56.100 0.183 0.000 0.916 29 R CB 2.427 32.824 30.300 0.161 0.000 1.228 29 R HN 0.043 nan 8.270 nan 0.000 0.469 30 A N 0.792 123.714 122.820 0.170 0.000 2.612 30 A HA 0.623 4.943 4.320 -0.000 0.000 0.293 30 A C -1.769 175.895 177.584 0.133 0.000 1.075 30 A CA -0.583 51.430 52.037 -0.040 0.000 0.680 30 A CB 2.303 20.838 19.000 -0.775 0.000 1.279 30 A HN 0.730 nan 8.150 nan 0.000 0.411 31 E N 1.239 121.523 120.200 0.140 0.000 2.406 31 E HA 0.409 4.759 4.350 -0.000 0.000 0.297 31 E C 0.208 176.909 176.600 0.169 0.000 0.917 31 E CA 0.102 56.631 56.400 0.214 0.000 0.795 31 E CB 0.998 30.869 29.700 0.285 0.000 1.285 31 E HN 1.054 nan 8.360 nan 0.000 0.400 32 N N 1.935 120.743 118.700 0.180 0.000 1.629 32 N HA -0.350 4.390 4.740 -0.000 0.000 0.153 32 N C 0.221 175.826 175.510 0.158 0.000 0.652 32 N CA 2.370 55.496 53.050 0.127 0.000 1.156 32 N CB -1.151 37.378 38.487 0.070 0.000 1.324 32 N HN 0.571 nan 8.380 nan 0.000 0.449 33 C N 1.660 121.017 119.300 0.096 0.000 2.855 33 C HA 0.350 4.809 4.460 -0.000 0.000 0.279 33 C C 0.426 175.421 174.990 0.008 0.000 1.270 33 C CA -0.344 58.731 59.018 0.095 0.000 1.702 33 C CB -1.346 26.446 27.740 0.088 0.000 1.949 33 C HN 0.244 nan 8.230 nan 0.000 0.618 34 R N 0.444 120.873 120.500 -0.117 0.000 2.532 34 R HA 0.712 5.052 4.340 -0.000 0.000 0.295 34 R C -1.183 174.726 176.300 -0.652 0.000 0.968 34 R CA -0.176 55.650 56.100 -0.456 0.000 0.916 34 R CB 1.775 31.666 30.300 -0.682 0.000 1.124 34 R HN 0.010 nan 8.270 nan 0.000 0.463 35 V N 2.296 121.778 119.914 -0.719 0.000 2.709 35 V HA 0.456 4.575 4.120 -0.000 0.000 0.308 35 V C -0.870 174.925 176.094 -0.498 0.000 1.062 35 V CA -0.892 61.103 62.300 -0.509 0.000 0.901 35 V CB 2.318 33.964 31.823 -0.295 0.000 1.003 35 V HN 0.661 nan 8.190 nan 0.000 0.425 36 W N 2.782 124.110 121.300 0.047 0.000 2.656 36 W HA 0.435 5.095 4.660 -0.000 0.000 0.327 36 W C -0.404 176.181 176.519 0.110 0.000 1.041 36 W CA -0.740 56.665 57.345 0.099 0.000 1.229 36 W CB 2.254 31.732 29.460 0.030 0.000 1.397 36 W HN 0.808 nan 8.180 nan 0.000 0.479 37 D N -0.665 119.958 120.400 0.371 0.000 2.478 37 D HA 0.149 4.789 4.640 -0.000 0.000 0.269 37 D C 1.202 177.632 176.300 0.217 0.000 1.232 37 D CA -0.504 53.651 54.000 0.259 0.000 1.059 37 D CB 0.159 41.120 40.800 0.268 0.000 1.104 37 D HN 0.119 nan 8.370 nan 0.000 0.566 38 V N -2.934 117.084 119.914 0.173 0.000 3.026 38 V HA -0.094 4.026 4.120 -0.000 0.000 0.265 38 V C 1.214 177.364 176.094 0.094 0.000 1.121 38 V CA 1.355 63.725 62.300 0.118 0.000 1.142 38 V CB -1.170 30.702 31.823 0.082 0.000 0.730 38 V HN 0.529 nan 8.190 nan 0.000 0.503 39 E N 0.780 121.049 120.200 0.115 0.000 2.465 39 E HA 0.356 4.706 4.350 -0.000 0.000 0.191 39 E C 1.674 178.327 176.600 0.090 0.000 1.053 39 E CA 0.416 56.866 56.400 0.085 0.000 0.869 39 E CB 0.270 30.020 29.700 0.083 0.000 0.977 39 E HN 0.798 nan 8.360 nan 0.000 0.483 40 G N 2.579 111.456 108.800 0.128 0.000 2.179 40 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 40 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 40 G C 0.364 175.382 174.900 0.197 0.000 0.977 40 G CA 0.314 45.497 45.100 0.138 0.000 0.641 40 G HN 0.290 nan 8.290 nan 0.000 0.533 41 R N 1.007 121.603 120.500 0.161 0.000 2.438 41 R HA 0.484 4.824 4.340 -0.000 0.000 0.287 41 R C 0.140 176.412 176.300 -0.047 0.000 1.077 41 R CA -0.212 55.895 56.100 0.012 0.000 1.034 41 R CB 0.406 30.640 30.300 -0.111 0.000 0.993 41 R HN 0.400 nan 8.270 nan 0.000 0.459 42 E N 3.269 123.334 120.200 -0.225 0.000 2.197 42 E HA 0.177 4.527 4.350 -0.000 0.000 0.281 42 E C -1.518 174.687 176.600 -0.658 0.000 0.995 42 E CA -0.558 55.570 56.400 -0.452 0.000 0.808 42 E CB 0.686 30.251 29.700 -0.225 0.000 1.093 42 E HN 0.466 nan 8.360 nan 0.000 0.394 43 Y N 2.344 122.386 120.300 -0.430 0.000 2.499 43 Y HA 0.345 4.894 4.550 -0.000 0.000 0.347 43 Y C -0.512 175.196 175.900 -0.320 0.000 0.987 43 Y CA -1.163 56.749 58.100 -0.312 0.000 1.044 43 Y CB 1.326 39.625 38.460 -0.268 0.000 1.245 43 Y HN 0.424 nan 8.280 nan 0.000 0.461 44 L N 3.248 124.414 121.223 -0.094 0.000 2.257 44 L HA 0.359 4.699 4.340 -0.000 0.000 0.290 44 L C -0.510 176.367 176.870 0.011 0.000 1.044 44 L CA -0.462 54.328 54.840 -0.082 0.000 0.810 44 L CB 0.329 42.290 42.059 -0.164 0.000 1.193 44 L HN 0.593 nan 8.230 nan 0.000 0.425 45 D N 4.214 124.671 120.400 0.095 0.000 2.422 45 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 45 D C 0.149 176.641 176.300 0.320 0.000 1.190 45 D CA 0.070 54.158 54.000 0.148 0.000 0.905 45 D CB 0.135 41.019 40.800 0.141 0.000 1.034 45 D HN 0.399 nan 8.370 nan 0.000 0.507 46 F N 2.024 121.955 119.950 -0.030 0.000 2.693 46 F HA 0.312 4.839 4.527 -0.000 0.000 0.303 46 F C 1.755 177.547 175.800 -0.013 0.000 1.097 46 F CA -0.321 57.669 58.000 -0.017 0.000 1.330 46 F CB 0.082 39.073 39.000 -0.016 0.000 1.067 46 F HN 0.505 nan 8.300 nan 0.000 0.565 47 A N -0.853 122.038 122.820 0.120 0.000 2.085 47 A HA 0.456 4.776 4.320 -0.000 0.000 0.208 47 A C 1.963 179.555 177.584 0.014 0.000 1.191 47 A CA 0.638 52.708 52.037 0.054 0.000 0.799 47 A CB -0.692 18.343 19.000 0.058 0.000 0.877 47 A HN 0.411 nan 8.150 nan 0.000 0.473 48 G N -0.834 107.969 108.800 0.006 0.000 2.283 48 G HA2 0.129 4.089 3.960 -0.000 0.000 0.280 48 G HA3 0.129 4.089 3.960 -0.000 0.000 0.280 48 G C 1.459 176.308 174.900 -0.085 0.000 1.029 48 G CA 0.847 45.911 45.100 -0.059 0.000 0.840 48 G HN 2.052 nan 8.290 nan 0.000 0.505 49 G N -1.046 107.727 108.800 -0.046 0.000 2.179 49 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.257 49 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.257 49 G C 0.334 175.213 174.900 -0.036 0.000 1.010 49 G CA 1.291 46.363 45.100 -0.046 0.000 0.736 49 G HN 2.122 nan 8.290 nan 0.000 0.513 50 Q N -3.103 116.683 119.800 -0.024 0.000 2.418 50 Q HA 0.014 4.354 4.340 -0.000 0.000 0.293 50 Q C 1.050 177.047 176.000 -0.005 0.000 1.398 50 Q CA 1.588 57.380 55.803 -0.019 0.000 0.720 50 Q CB -1.438 27.281 28.738 -0.032 0.000 1.100 50 Q HN 2.470 nan 8.270 nan 0.000 0.381 51 A N -1.452 121.369 122.820 0.001 0.000 2.887 51 A HA -0.240 4.080 4.320 -0.000 0.000 0.257 51 A C 0.618 178.202 177.584 -0.001 0.000 1.372 51 A CA 1.225 53.269 52.037 0.012 0.000 0.879 51 A CB -1.805 17.221 19.000 0.044 0.000 1.082 51 A HN 0.774 nan 8.150 nan 0.000 0.703 52 V N -0.947 118.952 119.914 -0.024 0.000 3.590 52 V HA 0.175 4.295 4.120 -0.000 0.000 0.265 52 V C 1.217 177.284 176.094 -0.044 0.000 1.239 52 V CA 1.481 63.767 62.300 -0.023 0.000 1.117 52 V CB 0.146 31.946 31.823 -0.038 0.000 0.818 52 V HN 0.570 nan 8.190 nan 0.000 0.451 53 L N 0.656 121.829 121.223 -0.082 0.000 3.100 53 L HA 0.354 4.694 4.340 -0.000 0.000 0.259 53 L C 1.203 178.034 176.870 -0.064 0.000 1.316 53 L CA -0.222 54.549 54.840 -0.116 0.000 0.992 53 L CB -0.035 41.852 42.059 -0.287 0.000 1.390 53 L HN 0.146 nan 8.230 nan 0.000 0.550 54 N N 0.391 119.088 118.700 -0.005 0.000 2.272 54 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 54 N C 1.686 177.155 175.510 -0.068 0.000 1.014 54 N CA 1.726 54.781 53.050 0.007 0.000 0.870 54 N CB -0.022 38.555 38.487 0.150 0.000 0.975 54 N HN 0.442 nan 8.380 nan 0.000 0.433 55 T N -2.664 111.860 114.554 -0.050 0.000 3.163 55 T HA 0.481 4.831 4.350 -0.000 0.000 0.252 55 T C 0.832 175.561 174.700 0.049 0.000 1.056 55 T CA -0.020 62.037 62.100 -0.071 0.000 0.947 55 T CB -0.071 68.733 68.868 -0.106 0.000 1.016 55 T HN 0.320 nan 8.240 nan 0.000 0.554 56 G N 1.384 110.182 108.800 -0.003 0.000 2.787 56 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.685 56 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.685 56 G C -0.740 174.169 174.900 0.015 0.000 1.437 56 G CA -0.961 44.144 45.100 0.008 0.000 0.872 56 G HN 0.597 nan 8.290 nan 0.000 0.566 57 H N 0.599 119.696 119.070 0.045 0.000 2.964 57 H HA 0.185 4.741 4.556 -0.000 0.000 0.328 57 H C 1.573 176.952 175.328 0.084 0.000 1.030 57 H CA 1.038 57.115 56.048 0.048 0.000 1.445 57 H CB 0.293 30.077 29.762 0.037 0.000 1.449 57 H HN 0.722 nan 8.280 nan 0.000 0.581 58 L N 3.161 124.514 121.223 0.217 0.000 3.895 58 L HA -0.260 4.080 4.340 -0.000 0.000 0.511 58 L C 0.786 177.773 176.870 0.195 0.000 1.222 58 L CA 0.348 55.321 54.840 0.220 0.000 0.739 58 L CB -1.433 40.739 42.059 0.187 0.000 1.425 58 L HN 0.689 nan 8.230 nan 0.000 0.817 59 H N 3.928 123.069 119.070 0.119 0.000 3.070 59 H HA 0.029 4.584 4.556 -0.000 0.000 0.313 59 H C -1.191 174.181 175.328 0.073 0.000 0.997 59 H CA -0.721 55.372 56.048 0.074 0.000 1.438 59 H CB 1.314 31.103 29.762 0.045 0.000 1.455 59 H HN 0.174 nan 8.280 nan 0.000 0.575 60 P HA -0.215 nan 4.420 nan 0.000 0.217 60 P C 1.194 178.585 177.300 0.152 0.000 1.151 60 P CA 1.326 64.443 63.100 0.029 0.000 0.849 60 P CB 0.454 32.114 31.700 -0.067 0.000 0.787 61 K N -0.254 120.357 120.400 0.352 0.000 2.057 61 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 61 K C 2.252 178.936 176.600 0.141 0.000 1.050 61 K CA 0.854 57.279 56.287 0.231 0.000 0.935 61 K CB -1.282 31.348 32.500 0.216 0.000 0.715 61 K HN 0.115 nan 8.250 nan 0.000 0.439 62 V N 1.283 121.305 119.914 0.179 0.000 2.343 62 V HA -0.189 3.930 4.120 -0.000 0.000 0.247 62 V C 2.547 178.661 176.094 0.034 0.000 1.051 62 V CA 1.331 63.673 62.300 0.070 0.000 1.036 62 V CB -0.488 31.414 31.823 0.132 0.000 0.654 62 V HN -0.039 nan 8.190 nan 0.000 0.451 63 V N 0.361 120.344 119.914 0.115 0.000 2.343 63 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 63 V C 2.733 178.849 176.094 0.037 0.000 1.051 63 V CA 2.068 64.424 62.300 0.094 0.000 1.036 63 V CB -1.108 30.794 31.823 0.131 0.000 0.654 63 V HN 0.561 nan 8.190 nan 0.000 0.451 64 A N -0.068 122.778 122.820 0.042 0.000 1.902 64 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 64 A C 2.434 180.017 177.584 -0.002 0.000 1.181 64 A CA 2.148 54.199 52.037 0.024 0.000 0.623 64 A CB -0.805 18.215 19.000 0.032 0.000 0.818 64 A HN 0.578 nan 8.150 nan 0.000 0.443 65 A N -0.616 122.195 122.820 -0.016 0.000 1.877 65 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 65 A C 2.248 179.787 177.584 -0.076 0.000 1.186 65 A CA 1.839 53.852 52.037 -0.042 0.000 0.620 65 A CB -1.005 17.964 19.000 -0.053 0.000 0.822 65 A HN 0.396 nan 8.150 nan 0.000 0.443 66 V N 0.060 119.896 119.914 -0.130 0.000 2.295 66 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 66 V C 2.446 178.494 176.094 -0.076 0.000 1.049 66 V CA 2.412 64.605 62.300 -0.178 0.000 1.024 66 V CB -0.819 30.820 31.823 -0.306 0.000 0.648 66 V HN 0.657 nan 8.190 nan 0.000 0.447 67 E N -0.004 120.176 120.200 -0.033 0.000 2.077 67 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 67 E C 2.314 178.909 176.600 -0.008 0.000 0.989 67 E CA 1.278 57.675 56.400 -0.005 0.000 0.800 67 E CB -0.342 29.365 29.700 0.012 0.000 0.746 67 E HN 0.612 nan 8.360 nan 0.000 0.452 68 A N 1.041 123.854 122.820 -0.012 0.000 1.902 68 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 68 A C 2.144 179.721 177.584 -0.011 0.000 1.181 68 A CA 1.727 53.760 52.037 -0.007 0.000 0.623 68 A CB -0.428 18.569 19.000 -0.005 0.000 0.818 68 A HN 0.127 nan 8.150 nan 0.000 0.443 69 Q N -0.810 118.975 119.800 -0.025 0.000 2.172 69 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 69 Q C 1.737 177.723 176.000 -0.024 0.000 0.964 69 Q CA 1.281 57.068 55.803 -0.028 0.000 0.855 69 Q CB -0.488 28.221 28.738 -0.049 0.000 0.918 69 Q HN 0.464 nan 8.270 nan 0.000 0.444 70 L N 0.369 121.580 121.223 -0.020 0.000 2.265 70 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 70 L C 1.405 178.275 176.870 0.001 0.000 1.117 70 L CA 1.725 56.561 54.840 -0.006 0.000 0.782 70 L CB -0.172 41.889 42.059 0.004 0.000 0.914 70 L HN 0.117 nan 8.230 nan 0.000 0.441 71 K N -1.230 119.171 120.400 0.001 0.000 2.365 71 K HA -0.039 4.281 4.320 -0.000 0.000 0.197 71 K C 1.715 178.318 176.600 0.005 0.000 1.042 71 K CA 0.545 56.835 56.287 0.005 0.000 0.987 71 K CB 0.255 32.758 32.500 0.006 0.000 0.779 71 K HN 0.360 nan 8.250 nan 0.000 0.484 72 K N 0.273 120.673 120.400 0.000 0.000 2.102 72 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 72 K C 0.177 176.775 176.600 -0.003 0.000 1.031 72 K CA 0.595 56.883 56.287 0.001 0.000 0.962 72 K CB 0.196 32.697 32.500 0.002 0.000 0.811 72 K HN -0.041 nan 8.250 nan 0.000 0.453 73 L N -3.381 117.832 121.223 -0.018 0.000 2.789 73 L HA 0.276 4.616 4.340 -0.000 0.000 0.258 73 L C 0.045 176.890 176.870 -0.042 0.000 0.966 73 L CA -0.633 54.193 54.840 -0.022 0.000 0.916 73 L CB 1.570 43.609 42.059 -0.033 0.000 1.475 73 L HN 0.032 nan 8.230 nan 0.000 0.418 74 S N -1.115 114.581 115.700 -0.007 0.000 2.505 74 S HA 0.406 4.876 4.470 -0.000 0.000 0.216 74 S C 0.177 174.812 174.600 0.058 0.000 1.018 74 S CA 0.887 59.092 58.200 0.009 0.000 0.911 74 S CB -0.399 62.825 63.200 0.041 0.000 0.818 74 S HN 1.204 nan 8.310 nan 0.000 0.497 75 H N -0.356 118.681 119.070 -0.055 0.000 3.121 75 H HA 0.460 5.016 4.556 -0.000 0.000 0.337 75 H C 0.034 175.380 175.328 0.030 0.000 1.198 75 H CA 0.305 56.350 56.048 -0.004 0.000 1.274 75 H CB 1.442 31.263 29.762 0.100 0.000 1.954 75 H HN 0.065 nan 8.280 nan 0.000 0.531 76 T N 0.456 114.681 114.554 -0.547 0.000 3.029 76 T HA 0.125 4.475 4.350 -0.000 0.000 0.256 76 T C 0.282 174.760 174.700 -0.369 0.000 0.914 76 T CA 0.423 62.364 62.100 -0.266 0.000 0.880 76 T CB -0.556 68.311 68.868 -0.001 0.000 1.246 76 T HN 1.181 nan 8.240 nan 0.000 0.523 77 C N 1.833 120.795 119.300 -0.564 0.000 2.485 77 C HA -0.168 4.292 4.460 -0.000 0.000 0.285 77 C C 1.059 176.104 174.990 0.092 0.000 0.796 77 C CA -0.526 58.429 59.018 -0.105 0.000 2.852 77 C CB -2.818 24.933 27.740 0.018 0.000 1.629 77 C HN 0.642 nan 8.230 nan 0.000 0.379 78 F N 3.160 123.155 119.950 0.076 0.000 2.085 78 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 78 F C 1.992 177.654 175.800 -0.229 0.000 1.096 78 F CA 2.778 60.637 58.000 -0.235 0.000 1.227 78 F CB -0.080 38.588 39.000 -0.553 0.000 0.983 78 F HN 0.831 nan 8.300 nan 0.000 0.482 79 Q N -0.417 119.380 119.800 -0.005 0.000 2.368 79 Q HA -0.136 4.203 4.340 -0.000 0.000 0.210 79 Q C 2.061 177.982 176.000 -0.130 0.000 0.982 79 Q CA 1.553 57.318 55.803 -0.064 0.000 0.884 79 Q CB -0.477 28.278 28.738 0.029 0.000 0.933 79 Q HN 0.424 nan 8.270 nan 0.000 0.460 80 V N -1.085 118.756 119.914 -0.121 0.000 2.490 80 V HA 0.108 4.228 4.120 -0.000 0.000 0.238 80 V C 0.648 176.646 176.094 -0.159 0.000 1.056 80 V CA 0.687 62.926 62.300 -0.102 0.000 1.075 80 V CB 0.203 32.000 31.823 -0.043 0.000 0.746 80 V HN 0.174 nan 8.190 nan 0.000 0.479 81 L N 0.187 121.303 121.223 -0.177 0.000 2.381 81 L HA 0.713 5.053 4.340 -0.000 0.000 0.274 81 L C -0.101 176.569 176.870 -0.333 0.000 0.988 81 L CA -0.508 54.216 54.840 -0.193 0.000 0.824 81 L CB 1.724 43.742 42.059 -0.068 0.000 1.263 81 L HN 0.265 nan 8.230 nan 0.000 0.410 82 A N 3.322 125.800 122.820 -0.570 0.000 2.267 82 A HA 0.699 5.019 4.320 -0.000 0.000 0.271 82 A C -1.166 176.241 177.584 -0.296 0.000 1.131 82 A CA 0.132 51.568 52.037 -1.001 0.000 0.818 82 A CB 0.492 18.848 19.000 -1.073 0.000 1.118 82 A HN 0.662 nan 8.150 nan 0.000 0.501 83 Y N -4.018 116.312 120.300 0.050 0.000 2.558 83 Y HA 0.490 5.040 4.550 -0.000 0.000 0.333 83 Y C 0.275 176.323 175.900 0.246 0.000 1.125 83 Y CA -0.858 57.327 58.100 0.142 0.000 1.039 83 Y CB 0.534 39.081 38.460 0.144 0.000 1.331 83 Y HN 0.708 nan 8.280 nan 0.000 0.456 84 E N 1.215 121.595 120.200 0.302 0.000 2.085 84 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 84 E C -1.108 175.643 176.600 0.251 0.000 0.994 84 E CA 1.868 58.404 56.400 0.226 0.000 0.801 84 E CB -0.906 28.885 29.700 0.151 0.000 0.743 84 E HN 0.598 nan 8.360 nan 0.000 0.453 85 P HA -0.200 nan 4.420 nan 0.000 0.216 85 P C 1.017 178.469 177.300 0.254 0.000 1.150 85 P CA 1.129 64.378 63.100 0.248 0.000 0.837 85 P CB -0.108 31.733 31.700 0.235 0.000 0.786 86 Y N 0.101 120.509 120.300 0.181 0.000 2.114 86 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 86 Y C 2.181 178.004 175.900 -0.129 0.000 1.143 86 Y CA 0.844 58.898 58.100 -0.076 0.000 1.135 86 Y CB -0.795 37.356 38.460 -0.515 0.000 0.980 86 Y HN -0.209 nan 8.280 nan 0.000 0.499 87 L N 1.086 122.475 121.223 0.275 0.000 2.012 87 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 87 L C 2.231 179.172 176.870 0.118 0.000 1.073 87 L CA 2.375 57.331 54.840 0.194 0.000 0.748 87 L CB -1.010 41.155 42.059 0.177 0.000 0.891 87 L HN 0.399 nan 8.230 nan 0.000 0.431 88 E N -0.749 119.515 120.200 0.107 0.000 2.110 88 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 88 E C 2.321 178.939 176.600 0.030 0.000 0.988 88 E CA 1.268 57.707 56.400 0.064 0.000 0.804 88 E CB -0.200 29.540 29.700 0.067 0.000 0.745 88 E HN 0.603 nan 8.360 nan 0.000 0.458 89 L N 0.228 121.462 121.223 0.019 0.000 2.056 89 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 89 L C 2.439 179.287 176.870 -0.036 0.000 1.078 89 L CA 1.128 55.953 54.840 -0.024 0.000 0.749 89 L CB -0.270 41.759 42.059 -0.049 0.000 0.901 89 L HN 0.412 nan 8.230 nan 0.000 0.433 90 C N 0.228 119.514 119.300 -0.023 0.000 2.413 90 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 90 C C 2.496 177.486 174.990 0.000 0.000 1.236 90 C CA 0.943 59.960 59.018 -0.002 0.000 1.735 90 C CB -0.913 26.851 27.740 0.041 0.000 2.031 90 C HN 0.552 nan 8.230 nan 0.000 0.474 91 E N 0.622 120.828 120.200 0.011 0.000 2.077 91 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 91 E C 1.923 178.510 176.600 -0.021 0.000 0.989 91 E CA 1.279 57.681 56.400 0.003 0.000 0.800 91 E CB -0.195 29.514 29.700 0.015 0.000 0.746 91 E HN 0.660 nan 8.360 nan 0.000 0.452 92 I N 0.617 121.169 120.570 -0.030 0.000 2.252 92 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 92 I C 2.353 178.423 176.117 -0.080 0.000 1.102 92 I CA 0.688 61.959 61.300 -0.049 0.000 1.385 92 I CB -0.186 37.785 38.000 -0.047 0.000 1.064 92 I HN 0.155 nan 8.210 nan 0.000 0.414 93 M N 0.288 119.825 119.600 -0.105 0.000 2.159 93 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 93 M C 1.900 178.119 176.300 -0.134 0.000 1.063 93 M CA 1.764 56.964 55.300 -0.166 0.000 1.110 93 M CB -1.743 30.721 32.600 -0.228 0.000 1.374 93 M HN 0.322 nan 8.290 nan 0.000 0.411 94 N N 0.402 119.053 118.700 -0.081 0.000 2.149 94 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 94 N C 1.695 177.147 175.510 -0.098 0.000 1.019 94 N CA 1.478 54.486 53.050 -0.070 0.000 0.857 94 N CB -0.073 38.396 38.487 -0.030 0.000 0.997 94 N HN 0.602 nan 8.380 nan 0.000 0.426 95 Q N 0.356 120.105 119.800 -0.086 0.000 2.250 95 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 95 Q C 1.306 177.246 176.000 -0.100 0.000 0.941 95 Q CA 0.565 56.315 55.803 -0.089 0.000 0.872 95 Q CB 0.119 28.821 28.738 -0.061 0.000 0.965 95 Q HN 0.183 nan 8.270 nan 0.000 0.480 96 K N 0.923 121.266 120.400 -0.096 0.000 2.186 96 K HA 0.130 4.450 4.320 -0.000 0.000 0.202 96 K C 0.471 177.022 176.600 -0.082 0.000 1.052 96 K CA 0.213 56.458 56.287 -0.070 0.000 0.965 96 K CB 0.369 32.843 32.500 -0.043 0.000 0.746 96 K HN 0.027 nan 8.250 nan 0.000 0.457 97 V N 5.391 125.188 119.914 -0.195 0.000 2.585 97 V HA 0.018 4.138 4.120 -0.000 0.000 0.296 97 V C -1.981 173.958 176.094 -0.258 0.000 1.035 97 V CA -1.369 60.716 62.300 -0.357 0.000 1.084 97 V CB 0.632 32.163 31.823 -0.486 0.000 0.953 97 V HN 0.169 nan 8.190 nan 0.000 0.483 98 P HA 0.272 nan 4.420 nan 0.000 0.267 98 P C 0.043 177.164 177.300 -0.298 0.000 1.200 98 P CA 0.373 63.363 63.100 -0.182 0.000 0.772 98 P CB 0.789 32.437 31.700 -0.087 0.000 0.855 99 G N 1.562 110.106 108.800 -0.427 0.000 2.400 99 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.199 99 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.199 99 G C -0.988 173.249 174.900 -1.104 0.000 1.383 99 G CA -0.742 43.763 45.100 -0.992 0.000 1.117 99 G HN 0.563 nan 8.290 nan 0.000 0.621 100 D N 1.574 121.605 120.400 -0.616 0.000 2.688 100 D HA 0.545 5.184 4.640 -0.000 0.000 0.228 100 D C 0.288 176.535 176.300 -0.088 0.000 1.116 100 D CA 0.259 54.094 54.000 -0.275 0.000 1.023 100 D CB -0.725 40.039 40.800 -0.060 0.000 1.100 100 D HN 0.585 nan 8.370 nan 0.000 0.487 101 F N -1.003 118.935 119.950 -0.019 0.000 2.807 101 F HA 0.598 5.125 4.527 -0.000 0.000 0.316 101 F C -0.796 174.993 175.800 -0.018 0.000 1.162 101 F CA -1.935 56.054 58.000 -0.017 0.000 0.910 101 F CB 0.132 39.122 39.000 -0.017 0.000 1.314 101 F HN -0.070 nan 8.300 nan 0.000 0.454 102 A N 1.624 124.595 122.820 0.251 0.000 2.511 102 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 102 A C -0.366 177.339 177.584 0.202 0.000 1.069 102 A CA -0.202 51.922 52.037 0.145 0.000 0.763 102 A CB 0.004 19.065 19.000 0.102 0.000 1.001 102 A HN 0.698 nan 8.150 nan 0.000 0.498 103 K N 1.532 121.991 120.400 0.098 0.000 2.444 103 K HA 0.616 4.935 4.320 -0.000 0.000 0.252 103 K C -0.961 175.673 176.600 0.058 0.000 0.993 103 K CA -0.824 55.522 56.287 0.099 0.000 0.847 103 K CB 2.457 34.983 32.500 0.042 0.000 1.340 103 K HN 0.679 nan 8.250 nan 0.000 0.446 104 K N 0.535 120.970 120.400 0.059 0.000 2.395 104 K HA 0.469 4.789 4.320 -0.000 0.000 0.247 104 K C -1.166 175.466 176.600 0.054 0.000 0.973 104 K CA -0.757 55.561 56.287 0.051 0.000 0.828 104 K CB 2.449 34.980 32.500 0.050 0.000 1.272 104 K HN 0.450 nan 8.250 nan 0.000 0.439 105 T N 1.802 116.392 114.554 0.059 0.000 2.848 105 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 105 T C -1.386 173.351 174.700 0.062 0.000 0.995 105 T CA -0.657 61.487 62.100 0.073 0.000 0.970 105 T CB 1.023 69.943 68.868 0.087 0.000 0.976 105 T HN 0.326 nan 8.240 nan 0.000 0.441 106 L N 4.538 125.782 121.223 0.034 0.000 2.307 106 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 106 L C -1.407 175.411 176.870 -0.087 0.000 1.023 106 L CA -0.472 54.379 54.840 0.017 0.000 0.810 106 L CB 0.630 42.693 42.059 0.006 0.000 1.231 106 L HN 0.579 nan 8.230 nan 0.000 0.423 107 L N 6.238 127.362 121.223 -0.165 0.000 2.317 107 L HA 0.705 5.045 4.340 -0.000 0.000 0.281 107 L C 0.197 176.996 176.870 -0.118 0.000 1.024 107 L CA -0.721 53.938 54.840 -0.301 0.000 0.810 107 L CB 1.590 43.186 42.059 -0.772 0.000 1.240 107 L HN 0.694 nan 8.230 nan 0.000 0.427 108 V N -0.272 119.580 119.914 -0.104 0.000 6.094 108 V HA 0.570 4.690 4.120 -0.000 0.000 0.284 108 V C 0.327 176.436 176.094 0.023 0.000 1.600 108 V CA -0.063 62.234 62.300 -0.006 0.000 0.675 108 V CB 1.446 33.258 31.823 -0.019 0.000 1.453 108 V HN 0.714 nan 8.190 nan 0.000 0.402 109 T N 0.414 114.996 114.554 0.046 0.000 3.115 109 T HA 0.273 4.622 4.350 -0.000 0.000 0.256 109 T C 0.648 175.375 174.700 0.045 0.000 0.970 109 T CA 0.877 63.022 62.100 0.075 0.000 1.010 109 T CB 0.237 69.195 68.868 0.150 0.000 1.151 109 T HN 1.077 nan 8.240 nan 0.000 0.479 110 T N -0.824 113.751 114.554 0.035 0.000 2.950 110 T HA 0.631 4.981 4.350 -0.000 0.000 0.288 110 T C 1.568 176.270 174.700 0.003 0.000 1.035 110 T CA -0.024 62.094 62.100 0.029 0.000 1.028 110 T CB 1.645 70.540 68.868 0.046 0.000 1.109 110 T HN 0.071 nan 8.240 nan 0.000 0.514 111 G N 0.783 109.594 108.800 0.017 0.000 2.422 111 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 111 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 111 G C 1.726 176.634 174.900 0.013 0.000 1.146 111 G CA 1.138 46.247 45.100 0.016 0.000 0.769 111 G HN 1.010 nan 8.290 nan 0.000 0.547 112 S N 0.482 116.193 115.700 0.019 0.000 2.383 112 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 112 S C 1.948 176.555 174.600 0.012 0.000 1.026 112 S CA 1.469 59.675 58.200 0.011 0.000 0.981 112 S CB -0.280 62.926 63.200 0.010 0.000 0.818 112 S HN 0.561 nan 8.310 nan 0.000 0.472 113 E N 1.772 121.978 120.200 0.009 0.000 2.072 113 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 113 E C 2.478 179.060 176.600 -0.029 0.000 0.985 113 E CA 0.933 57.334 56.400 0.001 0.000 0.801 113 E CB -0.433 29.273 29.700 0.011 0.000 0.750 113 E HN 0.691 nan 8.360 nan 0.000 0.452 114 A N 1.044 123.829 122.820 -0.058 0.000 1.883 114 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 114 A C 2.519 180.066 177.584 -0.062 0.000 1.186 114 A CA 1.474 53.448 52.037 -0.105 0.000 0.624 114 A CB -0.786 18.112 19.000 -0.169 0.000 0.822 114 A HN 0.124 nan 8.150 nan 0.000 0.444 115 V N 0.214 120.112 119.914 -0.026 0.000 2.343 115 V HA -0.226 3.893 4.120 -0.000 0.000 0.247 115 V C 2.526 178.615 176.094 -0.009 0.000 1.051 115 V CA 2.041 64.334 62.300 -0.012 0.000 1.036 115 V CB -0.815 31.014 31.823 0.010 0.000 0.654 115 V HN 0.535 nan 8.190 nan 0.000 0.451 116 E N 0.521 120.721 120.200 0.000 0.000 2.049 116 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 116 E C 2.121 178.682 176.600 -0.065 0.000 1.007 116 E CA 1.522 57.909 56.400 -0.022 0.000 0.809 116 E CB -0.436 29.258 29.700 -0.010 0.000 0.749 116 E HN 0.622 nan 8.360 nan 0.000 0.450 117 N N 0.417 119.087 118.700 -0.050 0.000 2.188 117 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 117 N C 1.817 177.298 175.510 -0.049 0.000 1.018 117 N CA 1.026 54.045 53.050 -0.051 0.000 0.858 117 N CB -0.098 38.364 38.487 -0.042 0.000 0.989 117 N HN 0.098 nan 8.380 nan 0.000 0.426 118 A N 0.958 123.751 122.820 -0.045 0.000 1.902 118 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 118 A C 2.529 180.095 177.584 -0.031 0.000 1.181 118 A CA 1.172 53.190 52.037 -0.031 0.000 0.623 118 A CB -0.696 18.290 19.000 -0.024 0.000 0.818 118 A HN 0.093 nan 8.150 nan 0.000 0.443 119 V N -0.118 119.770 119.914 -0.042 0.000 2.358 119 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 119 V C 2.451 178.492 176.094 -0.088 0.000 1.047 119 V CA 2.310 64.580 62.300 -0.051 0.000 1.035 119 V CB -0.637 31.151 31.823 -0.060 0.000 0.658 119 V HN 0.539 nan 8.190 nan 0.000 0.452 120 K N -0.213 120.118 120.400 -0.115 0.000 2.032 120 K HA -0.153 4.166 4.320 -0.000 0.000 0.209 120 K C 2.009 178.574 176.600 -0.059 0.000 1.048 120 K CA 1.746 57.971 56.287 -0.104 0.000 0.927 120 K CB -0.314 32.130 32.500 -0.094 0.000 0.712 120 K HN 0.381 nan 8.250 nan 0.000 0.441 121 I N 0.539 121.084 120.570 -0.043 0.000 2.252 121 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 121 I C 2.365 178.469 176.117 -0.021 0.000 1.102 121 I CA 1.066 62.350 61.300 -0.026 0.000 1.385 121 I CB -0.247 37.742 38.000 -0.017 0.000 1.064 121 I HN 0.172 nan 8.210 nan 0.000 0.414 122 A N 0.681 123.490 122.820 -0.019 0.000 1.930 122 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 122 A C 2.374 179.952 177.584 -0.010 0.000 1.175 122 A CA 1.324 53.356 52.037 -0.008 0.000 0.627 122 A CB -0.480 18.523 19.000 0.005 0.000 0.815 122 A HN 0.304 nan 8.150 nan 0.000 0.443 123 R N -0.536 119.952 120.500 -0.019 0.000 2.075 123 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 123 R C 2.467 178.756 176.300 -0.019 0.000 1.126 123 R CA 1.211 57.300 56.100 -0.018 0.000 0.963 123 R CB -0.432 29.846 30.300 -0.035 0.000 0.858 123 R HN 0.494 nan 8.270 nan 0.000 0.435 124 A N 1.071 123.877 122.820 -0.024 0.000 1.969 124 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 124 A C 2.304 179.878 177.584 -0.017 0.000 1.169 124 A CA 1.573 53.597 52.037 -0.020 0.000 0.635 124 A CB -0.474 18.513 19.000 -0.021 0.000 0.810 124 A HN 0.395 nan 8.150 nan 0.000 0.445 125 A N -0.438 122.372 122.820 -0.017 0.000 1.897 125 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 125 A C 2.353 179.926 177.584 -0.019 0.000 1.181 125 A CA 2.268 54.294 52.037 -0.018 0.000 0.620 125 A CB -0.993 17.996 19.000 -0.020 0.000 0.821 125 A HN 0.734 nan 8.150 nan 0.000 0.443 126 T N -4.469 110.075 114.554 -0.015 0.000 3.057 126 T HA 0.147 4.497 4.350 -0.000 0.000 0.254 126 T C 0.587 175.278 174.700 -0.015 0.000 1.094 126 T CA 0.602 62.693 62.100 -0.015 0.000 1.088 126 T CB -0.130 68.733 68.868 -0.008 0.000 0.934 126 T HN 0.408 nan 8.240 nan 0.000 0.497 127 K N 1.080 121.471 120.400 -0.014 0.000 3.117 127 K HA -0.139 4.181 4.320 -0.000 0.000 0.269 127 K C -0.447 176.145 176.600 -0.013 0.000 1.098 127 K CA 0.501 56.779 56.287 -0.014 0.000 0.785 127 K CB -1.491 30.999 32.500 -0.016 0.000 1.242 127 K HN 0.598 nan 8.250 nan 0.000 0.491 128 R N -1.009 119.486 120.500 -0.008 0.000 2.854 128 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 128 R C 0.648 176.954 176.300 0.009 0.000 0.994 128 R CA -0.701 55.397 56.100 -0.004 0.000 0.945 128 R CB 1.486 31.785 30.300 -0.002 0.000 1.194 128 R HN -0.062 nan 8.270 nan 0.000 0.476 129 S N -0.412 115.298 115.700 0.017 0.000 2.505 129 S HA 0.143 4.613 4.470 -0.000 0.000 0.216 129 S C 0.660 175.326 174.600 0.111 0.000 1.018 129 S CA -0.069 58.159 58.200 0.046 0.000 0.911 129 S CB 0.934 64.155 63.200 0.036 0.000 0.818 129 S HN 0.735 nan 8.310 nan 0.000 0.497 130 G N 1.801 110.674 108.800 0.121 0.000 2.476 130 G HA2 0.522 4.482 3.960 -0.000 0.000 0.286 130 G HA3 0.522 4.482 3.960 -0.000 0.000 0.286 130 G C -0.305 174.731 174.900 0.228 0.000 1.177 130 G CA -0.202 45.042 45.100 0.240 0.000 0.870 130 G HN 0.295 nan 8.290 nan 0.000 0.528 131 T N -2.129 112.592 114.554 0.278 0.000 2.883 131 T HA 0.693 5.043 4.350 -0.000 0.000 0.301 131 T C -0.652 174.166 174.700 0.196 0.000 1.158 131 T CA -0.759 61.464 62.100 0.206 0.000 1.007 131 T CB 1.709 70.699 68.868 0.204 0.000 1.186 131 T HN 0.374 nan 8.240 nan 0.000 0.499 132 I N 1.255 121.891 120.570 0.110 0.000 2.509 132 I HA 0.719 4.889 4.170 -0.000 0.000 0.293 132 I C 0.073 176.168 176.117 -0.037 0.000 1.020 132 I CA -1.041 60.270 61.300 0.019 0.000 1.088 132 I CB 1.839 39.793 38.000 -0.076 0.000 1.267 132 I HN 1.068 nan 8.210 nan 0.000 0.430 133 A N 5.344 128.115 122.820 -0.081 0.000 2.435 133 A HA 0.883 5.202 4.320 -0.000 0.000 0.296 133 A C -1.413 176.120 177.584 -0.085 0.000 1.147 133 A CA -0.415 51.651 52.037 0.048 0.000 0.775 133 A CB 1.165 20.241 19.000 0.128 0.000 1.340 133 A HN 0.475 nan 8.150 nan 0.000 0.427 134 F N 0.588 120.660 119.950 0.204 0.000 2.483 134 F HA 0.487 5.014 4.527 -0.000 0.000 0.329 134 F C 1.329 177.210 175.800 0.135 0.000 1.064 134 F CA -0.132 57.988 58.000 0.200 0.000 0.986 134 F CB 1.743 40.959 39.000 0.360 0.000 1.218 134 F HN 0.584 nan 8.300 nan 0.000 0.484 135 S N 0.347 116.225 115.700 0.297 0.000 2.552 135 S HA 0.364 4.834 4.470 -0.000 0.000 0.289 135 S C 1.046 175.725 174.600 0.132 0.000 1.304 135 S CA -0.077 58.222 58.200 0.166 0.000 1.063 135 S CB 0.391 63.676 63.200 0.141 0.000 0.848 135 S HN 1.548 nan 8.310 nan 0.000 0.499 136 G N 1.351 110.184 108.800 0.055 0.000 2.168 136 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.263 136 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.263 136 G C 0.389 175.278 174.900 -0.020 0.000 0.977 136 G CA 0.177 45.278 45.100 0.002 0.000 0.659 136 G HN 1.652 nan 8.290 nan 0.000 0.533 137 A N -0.695 122.125 122.820 0.001 0.000 2.406 137 A HA 0.628 4.948 4.320 -0.000 0.000 0.243 137 A C -0.300 177.182 177.584 -0.170 0.000 1.082 137 A CA 0.468 52.438 52.037 -0.110 0.000 0.786 137 A CB 0.585 19.588 19.000 0.004 0.000 1.029 137 A HN 1.527 nan 8.150 nan 0.000 0.495 138 Y N 0.412 120.408 120.300 -0.508 0.000 2.354 138 Y HA 0.501 5.051 4.550 -0.000 0.000 0.330 138 Y C 0.094 175.637 175.900 -0.594 0.000 1.011 138 Y CA -0.540 57.298 58.100 -0.436 0.000 1.099 138 Y CB 1.429 39.700 38.460 -0.314 0.000 1.179 138 Y HN 0.768 nan 8.280 nan 0.000 0.442 139 H N 3.569 122.224 119.070 -0.691 0.000 3.398 139 H HA 0.485 5.041 4.556 -0.000 0.000 0.260 139 H C 0.503 175.541 175.328 -0.483 0.000 1.189 139 H CA 0.409 56.216 56.048 -0.402 0.000 1.145 139 H CB 1.296 30.952 29.762 -0.178 0.000 1.599 139 H HN 0.854 nan 8.280 nan 0.000 0.615 140 G N 0.643 108.932 108.800 -0.853 0.000 2.347 140 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.477 140 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.477 140 G C -0.391 174.306 174.900 -0.338 0.000 1.349 140 G CA -0.983 43.857 45.100 -0.432 0.000 1.000 140 G HN 0.135 nan 8.290 nan 0.000 0.605 141 R N -0.202 120.226 120.500 -0.120 0.000 2.468 141 R HA 0.266 4.606 4.340 -0.000 0.000 0.280 141 R C 1.196 177.485 176.300 -0.018 0.000 0.963 141 R CA 0.545 56.615 56.100 -0.050 0.000 1.083 141 R CB 0.524 30.839 30.300 0.025 0.000 1.200 141 R HN 0.769 nan 8.270 nan 0.000 0.541 142 T N -3.154 111.402 114.554 0.004 0.000 2.874 142 T HA 0.119 4.469 4.350 -0.000 0.000 0.281 142 T C 0.979 175.723 174.700 0.074 0.000 0.994 142 T CA -0.553 61.589 62.100 0.070 0.000 1.015 142 T CB 1.242 70.171 68.868 0.103 0.000 1.028 142 T HN 0.092 nan 8.240 nan 0.000 0.523 143 H N -0.462 118.635 119.070 0.046 0.000 2.289 143 H HA -0.096 4.459 4.556 -0.000 0.000 0.294 143 H C 1.663 177.014 175.328 0.038 0.000 1.095 143 H CA 2.798 58.870 56.048 0.039 0.000 1.256 143 H CB -0.530 29.263 29.762 0.051 0.000 1.359 143 H HN 0.765 nan 8.280 nan 0.000 0.487 144 Y N 0.973 121.336 120.300 0.105 0.000 2.200 144 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 144 Y C 2.676 178.574 175.900 -0.003 0.000 1.137 144 Y CA 1.768 59.889 58.100 0.035 0.000 1.163 144 Y CB -0.290 38.182 38.460 0.021 0.000 0.988 144 Y HN 0.362 nan 8.280 nan 0.000 0.518 145 T N -1.787 112.827 114.554 0.100 0.000 2.995 145 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 145 T C 1.894 176.526 174.700 -0.113 0.000 1.091 145 T CA 1.255 63.352 62.100 -0.007 0.000 1.128 145 T CB -0.658 68.204 68.868 -0.009 0.000 0.891 145 T HN 0.365 nan 8.240 nan 0.000 0.492 146 L N 0.538 121.697 121.223 -0.106 0.000 2.156 146 L HA 0.115 4.454 4.340 -0.000 0.000 0.208 146 L C 3.214 180.016 176.870 -0.114 0.000 1.095 146 L CA 0.971 55.745 54.840 -0.110 0.000 0.770 146 L CB -0.635 41.374 42.059 -0.085 0.000 0.914 146 L HN 0.376 nan 8.230 nan 0.000 0.439 147 A N 0.186 122.900 122.820 -0.177 0.000 1.898 147 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 147 A C 2.206 179.661 177.584 -0.215 0.000 1.181 147 A CA 1.168 53.067 52.037 -0.231 0.000 0.620 147 A CB -0.553 18.215 19.000 -0.386 0.000 0.819 147 A HN 0.333 nan 8.150 nan 0.000 0.442 148 L N -0.226 120.858 121.223 -0.232 0.000 2.093 148 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 148 L C 0.870 177.796 176.870 0.092 0.000 1.085 148 L CA 0.607 55.404 54.840 -0.071 0.000 0.755 148 L CB -0.890 41.140 42.059 -0.049 0.000 0.904 148 L HN 0.180 nan 8.230 nan 0.000 0.435 149 T N 0.683 115.232 114.554 -0.007 0.000 2.867 149 T HA 0.124 4.474 4.350 -0.000 0.000 0.297 149 T C 0.801 175.506 174.700 0.009 0.000 0.989 149 T CA 0.149 62.206 62.100 -0.072 0.000 1.159 149 T CB 0.849 69.587 68.868 -0.215 0.000 0.928 149 T HN 0.373 nan 8.240 nan 0.000 0.538 150 G N 3.386 112.205 108.800 0.033 0.000 3.636 150 G HA2 0.430 4.390 3.960 -0.000 0.000 0.260 150 G HA3 0.430 4.390 3.960 -0.000 0.000 0.260 150 G C -0.078 174.861 174.900 0.065 0.000 1.014 150 G CA -0.323 44.807 45.100 0.049 0.000 1.797 150 G HN 0.641 nan 8.290 nan 0.000 0.637 151 K N 1.001 121.463 120.400 0.104 0.000 2.575 151 K HA 0.168 4.488 4.320 -0.000 0.000 0.271 151 K C 0.073 176.756 176.600 0.139 0.000 1.013 151 K CA -0.651 55.709 56.287 0.121 0.000 0.939 151 K CB 1.031 33.667 32.500 0.227 0.000 1.328 151 K HN -0.071 nan 8.250 nan 0.000 0.450 152 V N 1.875 121.816 119.914 0.045 0.000 2.379 152 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 152 V C 0.727 176.807 176.094 -0.024 0.000 1.035 152 V CA 1.012 63.327 62.300 0.024 0.000 1.035 152 V CB -0.373 31.451 31.823 0.001 0.000 0.673 152 V HN 0.718 nan 8.190 nan 0.000 0.457 153 N N 1.099 119.756 118.700 -0.071 0.000 2.426 153 N HA 0.251 4.991 4.740 -0.000 0.000 0.275 153 N C -1.647 173.684 175.510 -0.298 0.000 1.019 153 N CA -1.910 51.062 53.050 -0.129 0.000 0.941 153 N CB 1.975 40.425 38.487 -0.063 0.000 1.123 153 N HN 0.022 nan 8.380 nan 0.000 0.486 154 P HA 0.029 nan 4.420 nan 0.000 0.259 154 P C 0.608 177.810 177.300 -0.164 0.000 1.233 154 P CA 0.437 63.380 63.100 -0.261 0.000 0.827 154 P CB 0.164 31.733 31.700 -0.219 0.000 1.154 155 Y N 2.214 122.537 120.300 0.039 0.000 2.133 155 Y HA -0.234 4.316 4.550 -0.000 0.000 0.279 155 Y C 1.944 177.840 175.900 -0.007 0.000 1.209 155 Y CA 1.428 59.554 58.100 0.043 0.000 1.152 155 Y CB -0.881 37.634 38.460 0.091 0.000 0.961 155 Y HN 0.150 nan 8.280 nan 0.000 0.512 156 S N -1.567 114.190 115.700 0.095 0.000 2.941 156 S HA 0.621 5.091 4.470 -0.000 0.000 0.251 156 S C 0.069 174.663 174.600 -0.011 0.000 1.029 156 S CA -0.402 57.808 58.200 0.016 0.000 1.062 156 S CB -0.035 63.160 63.200 -0.008 0.000 0.977 156 S HN 0.324 nan 8.310 nan 0.000 0.552 157 A N 0.953 123.763 122.820 -0.017 0.000 2.477 157 A HA 0.592 4.911 4.320 -0.000 0.000 0.246 157 A C 1.604 179.176 177.584 -0.020 0.000 1.078 157 A CA 0.379 52.401 52.037 -0.025 0.000 0.770 157 A CB -0.903 18.072 19.000 -0.041 0.000 1.011 157 A HN 1.762 nan 8.150 nan 0.000 0.494 158 G N 1.358 110.148 108.800 -0.017 0.000 2.189 158 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 158 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 158 G C 0.628 175.523 174.900 -0.008 0.000 0.975 158 G CA 1.079 46.172 45.100 -0.012 0.000 0.644 158 G HN 0.754 nan 8.290 nan 0.000 0.537 159 M N 0.337 119.929 119.600 -0.013 0.000 2.428 159 M HA 0.438 4.918 4.480 -0.000 0.000 0.239 159 M C 1.409 177.710 176.300 0.002 0.000 1.121 159 M CA 0.974 56.269 55.300 -0.009 0.000 1.019 159 M CB 0.504 33.082 32.600 -0.036 0.000 1.485 159 M HN 1.339 nan 8.290 nan 0.000 0.484 160 G N 1.274 110.072 108.800 -0.002 0.000 2.685 160 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.387 160 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.387 160 G C -0.778 174.120 174.900 -0.004 0.000 1.324 160 G CA -1.148 43.953 45.100 0.002 0.000 0.878 160 G HN 0.210 nan 8.290 nan 0.000 0.527 161 L N 0.788 122.008 121.223 -0.005 0.000 2.410 161 L HA 0.302 4.642 4.340 -0.000 0.000 0.273 161 L C 1.400 178.265 176.870 -0.007 0.000 1.152 161 L CA -0.549 54.281 54.840 -0.017 0.000 0.855 161 L CB 0.537 42.580 42.059 -0.026 0.000 1.129 161 L HN 0.510 nan 8.230 nan 0.000 0.463 162 M N 3.167 122.751 119.600 -0.027 0.000 2.197 162 M HA 0.317 4.797 4.480 -0.000 0.000 0.305 162 M C -1.848 174.430 176.300 -0.035 0.000 1.162 162 M CA -2.104 53.187 55.300 -0.014 0.000 1.099 162 M CB -0.577 31.987 32.600 -0.060 0.000 1.430 162 M HN 0.253 nan 8.290 nan 0.000 0.481 163 P HA 0.001 nan 4.420 nan 0.000 0.265 163 P C 0.031 177.246 177.300 -0.141 0.000 1.167 163 P CA 0.371 63.450 63.100 -0.035 0.000 0.760 163 P CB 0.203 31.944 31.700 0.067 0.000 0.783 164 G N 0.693 109.379 108.800 -0.190 0.000 2.543 164 G HA2 0.228 4.188 3.960 -0.000 0.000 0.290 164 G HA3 0.228 4.188 3.960 -0.000 0.000 0.290 164 G C -0.476 174.266 174.900 -0.264 0.000 1.310 164 G CA -0.558 44.354 45.100 -0.313 0.000 1.025 164 G HN 0.805 nan 8.290 nan 0.000 0.502 165 H N -3.460 115.459 119.070 -0.251 0.000 2.903 165 H HA -0.157 4.398 4.556 -0.000 0.000 0.285 165 H C -0.611 174.483 175.328 -0.391 0.000 1.231 165 H CA 0.026 55.909 56.048 -0.274 0.000 1.135 165 H CB -1.648 28.149 29.762 0.059 0.000 1.328 165 H HN 0.251 nan 8.280 nan 0.000 0.388 166 V N 1.520 121.111 119.914 -0.538 0.000 2.444 166 V HA 0.362 4.482 4.120 -0.000 0.000 0.294 166 V C -0.165 175.560 176.094 -0.615 0.000 1.022 166 V CA -0.629 61.439 62.300 -0.386 0.000 0.850 166 V CB 0.982 32.602 31.823 -0.338 0.000 0.992 166 V HN 0.175 nan 8.190 nan 0.000 0.426 167 Y N 3.108 123.388 120.300 -0.034 0.000 2.457 167 Y HA 0.754 5.304 4.550 -0.000 0.000 0.333 167 Y C 0.288 176.122 175.900 -0.110 0.000 1.119 167 Y CA -1.015 57.049 58.100 -0.059 0.000 1.143 167 Y CB 1.374 39.800 38.460 -0.057 0.000 1.230 167 Y HN 0.493 nan 8.280 nan 0.000 0.469 168 R N 1.582 122.091 120.500 0.015 0.000 2.295 168 R HA 0.778 5.118 4.340 -0.000 0.000 0.324 168 R C -1.121 175.113 176.300 -0.110 0.000 0.968 168 R CA -0.337 55.728 56.100 -0.058 0.000 0.837 168 R CB 0.501 30.785 30.300 -0.026 0.000 1.133 168 R HN 0.818 nan 8.270 nan 0.000 0.450 169 A N 4.481 127.150 122.820 -0.251 0.000 2.299 169 A HA 0.631 4.951 4.320 -0.000 0.000 0.332 169 A C -0.929 176.611 177.584 -0.073 0.000 1.131 169 A CA -0.832 51.027 52.037 -0.297 0.000 0.844 169 A CB 0.892 19.452 19.000 -0.733 0.000 1.251 169 A HN 0.664 nan 8.150 nan 0.000 0.486 170 L N 1.041 122.315 121.223 0.085 0.000 2.276 170 L HA 0.278 4.618 4.340 -0.000 0.000 0.286 170 L C -0.636 176.479 176.870 0.407 0.000 1.061 170 L CA -0.443 54.521 54.840 0.207 0.000 0.807 170 L CB 0.726 42.847 42.059 0.104 0.000 1.177 170 L HN 0.753 nan 8.230 nan 0.000 0.429 171 Y N 5.958 126.418 120.300 0.267 0.000 2.377 171 Y HA 0.179 4.729 4.550 -0.000 0.000 0.330 171 Y C -1.781 174.018 175.900 -0.168 0.000 1.108 171 Y CA -1.755 56.375 58.100 0.050 0.000 1.308 171 Y CB 0.742 39.211 38.460 0.014 0.000 1.216 171 Y HN 0.356 nan 8.280 nan 0.000 0.518 172 P HA 0.002 nan 4.420 nan 0.000 0.267 172 P C -0.833 176.290 177.300 -0.295 0.000 1.205 172 P CA 0.121 62.874 63.100 -0.579 0.000 0.765 172 P CB 0.754 31.838 31.700 -1.027 0.000 0.828 173 C N 6.019 125.207 119.300 -0.187 0.000 3.238 173 C HA 0.268 4.728 4.460 -0.000 0.000 0.308 173 C C -1.652 173.255 174.990 -0.138 0.000 0.971 173 C CA -1.320 57.587 59.018 -0.185 0.000 1.207 173 C CB -0.171 27.399 27.740 -0.284 0.000 1.696 173 C HN 0.375 nan 8.230 nan 0.000 0.609 174 P HA -0.172 nan 4.420 nan 0.000 0.216 174 P C 1.728 178.974 177.300 -0.090 0.000 1.154 174 P CA 1.176 64.233 63.100 -0.071 0.000 0.865 174 P CB 0.109 31.782 31.700 -0.047 0.000 0.789 175 L N -0.991 120.143 121.223 -0.148 0.000 2.103 175 L HA -0.201 4.138 4.340 -0.000 0.000 0.215 175 L C 1.345 177.964 176.870 -0.419 0.000 1.080 175 L CA 2.082 56.750 54.840 -0.286 0.000 0.764 175 L CB -1.064 40.783 42.059 -0.354 0.000 0.890 175 L HN 0.186 nan 8.230 nan 0.000 0.435 176 H N -1.024 118.000 119.070 -0.076 0.000 2.472 176 H HA 0.388 4.944 4.556 -0.000 0.000 0.287 176 H C 1.364 176.676 175.328 -0.027 0.000 1.112 176 H CA 0.381 56.406 56.048 -0.038 0.000 1.021 176 H CB -0.057 29.690 29.762 -0.026 0.000 1.635 176 H HN 0.400 nan 8.280 nan 0.000 0.559 177 G N 1.355 110.178 108.800 0.038 0.000 2.148 177 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 177 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 177 G C 0.108 175.016 174.900 0.013 0.000 0.981 177 G CA -0.067 45.049 45.100 0.026 0.000 0.670 177 G HN 0.276 nan 8.290 nan 0.000 0.528 178 I N 2.461 123.027 120.570 -0.006 0.000 2.330 178 I HA 0.368 4.538 4.170 -0.000 0.000 0.286 178 I C 1.102 177.185 176.117 -0.057 0.000 1.025 178 I CA -0.619 60.669 61.300 -0.021 0.000 1.197 178 I CB 0.508 38.495 38.000 -0.022 0.000 1.358 178 I HN 0.345 nan 8.210 nan 0.000 0.467 179 S N 4.456 120.134 115.700 -0.037 0.000 2.645 179 S HA 0.284 4.754 4.470 -0.000 0.000 0.266 179 S C 0.969 175.530 174.600 -0.064 0.000 1.258 179 S CA -0.498 57.677 58.200 -0.043 0.000 0.990 179 S CB 1.583 64.779 63.200 -0.007 0.000 0.967 179 S HN 0.581 nan 8.310 nan 0.000 0.556 180 E N 0.456 120.624 120.200 -0.054 0.000 2.153 180 E HA -0.164 4.185 4.350 -0.000 0.000 0.194 180 E C 1.030 177.694 176.600 0.106 0.000 0.988 180 E CA 1.358 57.752 56.400 -0.010 0.000 0.811 180 E CB -0.184 29.575 29.700 0.097 0.000 0.746 180 E HN 0.640 nan 8.360 nan 0.000 0.466 181 D N 0.839 121.286 120.400 0.080 0.000 2.117 181 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 181 D C 1.518 177.872 176.300 0.090 0.000 0.982 181 D CA 0.875 54.933 54.000 0.096 0.000 0.828 181 D CB -0.241 40.599 40.800 0.067 0.000 0.967 181 D HN 0.085 nan 8.370 nan 0.000 0.464 182 D N 0.400 120.832 120.400 0.054 0.000 2.123 182 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 182 D C 1.990 178.329 176.300 0.066 0.000 0.992 182 D CA 1.312 55.340 54.000 0.047 0.000 0.833 182 D CB -0.270 40.544 40.800 0.023 0.000 0.954 182 D HN 0.149 nan 8.370 nan 0.000 0.455 183 A N 1.232 124.089 122.820 0.063 0.000 1.877 183 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 183 A C 2.242 179.967 177.584 0.234 0.000 1.186 183 A CA 0.993 53.107 52.037 0.128 0.000 0.620 183 A CB -0.524 18.449 19.000 -0.044 0.000 0.822 183 A HN 0.128 nan 8.150 nan 0.000 0.443 184 I N -0.073 120.662 120.570 0.275 0.000 2.252 184 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 184 I C 2.938 179.133 176.117 0.130 0.000 1.102 184 I CA 1.395 62.818 61.300 0.205 0.000 1.385 184 I CB -1.612 36.520 38.000 0.219 0.000 1.064 184 I HN 0.367 nan 8.210 nan 0.000 0.414 185 A N 1.274 124.186 122.820 0.153 0.000 1.940 185 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 185 A C 2.533 180.154 177.584 0.062 0.000 1.176 185 A CA 2.314 54.437 52.037 0.144 0.000 0.631 185 A CB -0.817 18.243 19.000 0.100 0.000 0.814 185 A HN 0.567 nan 8.150 nan 0.000 0.446 186 S N -0.198 115.516 115.700 0.024 0.000 2.423 186 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 186 S C 1.813 176.318 174.600 -0.158 0.000 1.014 186 S CA 1.306 59.483 58.200 -0.037 0.000 0.965 186 S CB -0.672 62.519 63.200 -0.014 0.000 0.785 186 S HN 0.505 nan 8.310 nan 0.000 0.495 187 I N 1.139 121.569 120.570 -0.234 0.000 2.233 187 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 187 I C 2.752 178.396 176.117 -0.787 0.000 1.093 187 I CA 1.242 62.219 61.300 -0.538 0.000 1.380 187 I CB -0.560 37.131 38.000 -0.516 0.000 1.067 187 I HN 0.330 nan 8.210 nan 0.000 0.413 188 H N 0.624 119.497 119.070 -0.328 0.000 2.421 188 H HA -0.142 4.413 4.556 -0.000 0.000 0.298 188 H C 2.273 177.523 175.328 -0.130 0.000 1.087 188 H CA 1.235 57.185 56.048 -0.162 0.000 1.330 188 H CB -0.269 29.512 29.762 0.031 0.000 1.388 188 H HN 0.291 nan 8.280 nan 0.000 0.526 189 R N 0.684 121.162 120.500 -0.036 0.000 2.081 189 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 189 R C 2.351 178.606 176.300 -0.075 0.000 1.131 189 R CA 1.086 57.171 56.100 -0.026 0.000 0.960 189 R CB -0.189 30.097 30.300 -0.023 0.000 0.856 189 R HN 0.196 nan 8.270 nan 0.000 0.436 190 I N -0.035 120.418 120.570 -0.195 0.000 2.179 190 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 190 I C 1.910 177.942 176.117 -0.141 0.000 1.088 190 I CA 1.509 62.679 61.300 -0.216 0.000 1.357 190 I CB -0.307 37.495 38.000 -0.331 0.000 1.051 190 I HN 0.201 nan 8.210 nan 0.000 0.409 191 F N 0.768 120.631 119.950 -0.145 0.000 2.126 191 F HA -0.302 4.225 4.527 -0.000 0.000 0.299 191 F C 2.617 178.356 175.800 -0.102 0.000 1.096 191 F CA 1.023 58.931 58.000 -0.153 0.000 1.255 191 F CB -0.249 38.670 39.000 -0.135 0.000 0.997 191 F HN 0.006 nan 8.300 nan 0.000 0.479 192 K N 0.609 121.084 120.400 0.126 0.000 2.076 192 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 192 K C 1.466 178.080 176.600 0.023 0.000 1.051 192 K CA 1.331 57.658 56.287 0.067 0.000 0.949 192 K CB -0.189 32.350 32.500 0.064 0.000 0.726 192 K HN 0.095 nan 8.250 nan 0.000 0.443 193 N N -0.245 118.457 118.700 0.004 0.000 2.387 193 N HA -0.020 4.720 4.740 -0.000 0.000 0.176 193 N C 0.453 175.954 175.510 -0.016 0.000 1.022 193 N CA 1.053 54.102 53.050 -0.002 0.000 0.883 193 N CB 0.413 38.903 38.487 0.005 0.000 1.019 193 N HN 0.241 nan 8.380 nan 0.000 0.435 194 D N -0.397 119.961 120.400 -0.070 0.000 2.434 194 D HA 0.218 4.857 4.640 -0.000 0.000 0.288 194 D C -0.198 175.936 176.300 -0.277 0.000 1.083 194 D CA 0.277 54.208 54.000 -0.114 0.000 0.903 194 D CB 1.472 42.242 40.800 -0.050 0.000 1.476 194 D HN 0.030 nan 8.370 nan 0.000 0.502 195 A N 0.982 123.579 122.820 -0.372 0.000 2.429 195 A HA 0.659 4.979 4.320 -0.000 0.000 0.289 195 A C -0.525 176.981 177.584 -0.130 0.000 1.043 195 A CA -0.447 51.376 52.037 -0.358 0.000 0.722 195 A CB 1.488 20.043 19.000 -0.742 0.000 1.243 195 A HN 0.071 nan 8.150 nan 0.000 0.415 196 A N 3.730 126.484 122.820 -0.109 0.000 2.425 196 A HA 0.587 4.906 4.320 -0.000 0.000 0.242 196 A C -1.397 176.059 177.584 -0.214 0.000 1.077 196 A CA -0.935 51.027 52.037 -0.125 0.000 0.781 196 A CB -0.237 18.692 19.000 -0.117 0.000 1.020 196 A HN 0.544 nan 8.150 nan 0.000 0.494 197 P HA -0.234 nan 4.420 nan 0.000 0.216 197 P C 1.196 178.319 177.300 -0.296 0.000 1.150 197 P CA 1.783 64.427 63.100 -0.759 0.000 0.843 197 P CB 0.017 30.957 31.700 -1.266 0.000 0.787 198 E N -0.823 119.253 120.200 -0.206 0.000 2.463 198 E HA -0.181 4.169 4.350 -0.000 0.000 0.201 198 E C 0.557 177.109 176.600 -0.080 0.000 1.045 198 E CA 0.985 57.320 56.400 -0.108 0.000 0.872 198 E CB -0.632 29.017 29.700 -0.085 0.000 0.797 198 E HN 0.244 nan 8.360 nan 0.000 0.538 199 D N 0.395 120.743 120.400 -0.087 0.000 2.433 199 D HA 0.155 4.795 4.640 -0.000 0.000 0.211 199 D C -0.142 176.149 176.300 -0.015 0.000 1.114 199 D CA -0.148 53.818 54.000 -0.057 0.000 0.837 199 D CB 0.631 41.384 40.800 -0.079 0.000 0.984 199 D HN 0.154 nan 8.370 nan 0.000 0.505 200 I N 1.660 122.227 120.570 -0.004 0.000 2.307 200 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 200 I C 1.368 177.518 176.117 0.055 0.000 1.021 200 I CA -0.394 60.943 61.300 0.062 0.000 1.224 200 I CB 1.055 39.131 38.000 0.127 0.000 1.376 200 I HN -0.198 nan 8.210 nan 0.000 0.470 201 A N 5.433 128.291 122.820 0.063 0.000 1.970 201 A HA 0.496 4.816 4.320 -0.000 0.000 0.216 201 A C 1.031 178.649 177.584 0.056 0.000 1.170 201 A CA 1.106 53.170 52.037 0.045 0.000 0.645 201 A CB 0.179 19.201 19.000 0.036 0.000 0.816 201 A HN 0.781 nan 8.150 nan 0.000 0.447 202 A N -1.444 121.426 122.820 0.083 0.000 2.612 202 A HA 0.654 4.974 4.320 -0.000 0.000 0.293 202 A C -1.281 176.367 177.584 0.106 0.000 1.075 202 A CA -0.454 51.634 52.037 0.085 0.000 0.680 202 A CB 0.617 19.657 19.000 0.067 0.000 1.279 202 A HN 0.202 nan 8.150 nan 0.000 0.411 203 I N 1.568 122.208 120.570 0.117 0.000 2.389 203 I HA 0.426 4.595 4.170 -0.000 0.000 0.288 203 I C -0.804 175.423 176.117 0.184 0.000 0.999 203 I CA -0.881 60.508 61.300 0.149 0.000 1.129 203 I CB 1.885 39.992 38.000 0.178 0.000 1.288 203 I HN 0.363 nan 8.210 nan 0.000 0.444 204 V N 7.737 127.764 119.914 0.188 0.000 2.394 204 V HA 0.521 4.640 4.120 -0.000 0.000 0.282 204 V C -0.129 176.179 176.094 0.356 0.000 1.031 204 V CA -0.522 61.864 62.300 0.144 0.000 0.881 204 V CB 1.895 33.654 31.823 -0.106 0.000 0.982 204 V HN 0.550 nan 8.190 nan 0.000 0.451 205 I N 2.956 123.718 120.570 0.321 0.000 2.827 205 I HA 0.505 4.674 4.170 -0.000 0.000 0.298 205 I C -0.734 175.563 176.117 0.301 0.000 1.235 205 I CA -0.572 60.945 61.300 0.362 0.000 1.021 205 I CB 2.919 41.028 38.000 0.183 0.000 1.259 205 I HN 0.640 nan 8.210 nan 0.000 0.427 206 E N 7.570 127.942 120.200 0.287 0.000 2.081 206 E HA 0.255 4.604 4.350 -0.000 0.000 0.281 206 E C -1.970 174.753 176.600 0.204 0.000 0.986 206 E CA -1.567 54.949 56.400 0.193 0.000 0.796 206 E CB 1.292 31.033 29.700 0.068 0.000 1.085 206 E HN 0.381 nan 8.360 nan 0.000 0.398 207 P HA -0.179 nan 4.420 nan 0.000 0.217 207 P C -0.246 177.161 177.300 0.178 0.000 1.148 207 P CA 1.030 64.229 63.100 0.164 0.000 0.834 207 P CB 0.291 32.060 31.700 0.116 0.000 0.783 208 V N -0.256 119.719 119.914 0.101 0.000 2.488 208 V HA 0.156 4.275 4.120 -0.000 0.000 0.293 208 V C -0.122 175.945 176.094 -0.044 0.000 1.027 208 V CA -0.845 61.475 62.300 0.033 0.000 0.862 208 V CB 1.546 33.313 31.823 -0.093 0.000 1.008 208 V HN -0.098 nan 8.190 nan 0.000 0.428 209 Q N 2.057 121.790 119.800 -0.112 0.000 2.337 209 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 209 Q C 1.099 177.089 176.000 -0.017 0.000 1.002 209 Q CA 0.654 56.357 55.803 -0.167 0.000 0.888 209 Q CB 1.736 30.260 28.738 -0.358 0.000 1.222 209 Q HN 0.930 nan 8.270 nan 0.000 0.400 210 G N 1.674 110.491 108.800 0.028 0.000 2.682 210 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.221 210 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.221 210 G C 1.063 176.006 174.900 0.072 0.000 1.386 210 G CA 0.309 45.519 45.100 0.184 0.000 0.909 210 G HN 0.658 nan 8.290 nan 0.000 0.558 211 E N 1.060 121.222 120.200 -0.062 0.000 2.160 211 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 211 E C 2.367 178.903 176.600 -0.107 0.000 0.991 211 E CA 1.584 57.897 56.400 -0.145 0.000 0.810 211 E CB -0.940 28.604 29.700 -0.261 0.000 0.742 211 E HN 0.270 nan 8.360 nan 0.000 0.466 212 G N -0.904 107.853 108.800 -0.073 0.000 2.535 212 G HA2 0.031 3.991 3.960 -0.000 0.000 0.218 212 G HA3 0.031 3.991 3.960 -0.000 0.000 0.218 212 G C 1.018 175.863 174.900 -0.091 0.000 1.122 212 G CA 0.575 45.635 45.100 -0.068 0.000 0.769 212 G HN 0.740 nan 8.290 nan 0.000 0.549 213 G N -1.497 107.183 108.800 -0.201 0.000 2.148 213 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.120 213 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.120 213 G C 0.333 174.923 174.900 -0.517 0.000 1.034 213 G CA -0.202 44.611 45.100 -0.478 0.000 0.710 213 G HN 0.605 nan 8.290 nan 0.000 0.495 214 F N -0.967 118.739 119.950 -0.407 0.000 2.969 214 F HA -0.182 4.345 4.527 -0.000 0.000 0.273 214 F C 0.355 175.994 175.800 -0.269 0.000 0.986 214 F CA 0.210 58.043 58.000 -0.278 0.000 0.926 214 F CB -2.304 36.564 39.000 -0.219 0.000 0.887 214 F HN 0.508 nan 8.300 nan 0.000 0.816 215 Y N -0.457 119.904 120.300 0.101 0.000 2.331 215 Y HA 0.638 5.188 4.550 -0.000 0.000 0.338 215 Y C 0.518 176.497 175.900 0.132 0.000 0.992 215 Y CA -0.672 57.490 58.100 0.103 0.000 1.121 215 Y CB 1.315 39.838 38.460 0.104 0.000 1.184 215 Y HN 0.282 nan 8.280 nan 0.000 0.469 216 A N 2.503 125.501 122.820 0.296 0.000 2.312 216 A HA 0.634 4.953 4.320 -0.000 0.000 0.326 216 A C -0.285 177.417 177.584 0.197 0.000 1.172 216 A CA -0.673 51.494 52.037 0.216 0.000 0.821 216 A CB 0.740 19.801 19.000 0.101 0.000 1.166 216 A HN 0.666 nan 8.150 nan 0.000 0.493 217 S N 0.723 116.523 115.700 0.166 0.000 2.592 217 S HA 0.457 4.927 4.470 -0.000 0.000 0.271 217 S C 0.823 175.469 174.600 0.076 0.000 1.326 217 S CA -0.073 58.150 58.200 0.038 0.000 1.024 217 S CB 0.804 64.065 63.200 0.103 0.000 0.921 217 S HN 1.110 nan 8.310 nan 0.000 0.527 218 S N 2.113 117.862 115.700 0.080 0.000 2.646 218 S HA 0.391 4.861 4.470 -0.000 0.000 0.276 218 S C -2.278 172.381 174.600 0.099 0.000 1.222 218 S CA -1.302 56.946 58.200 0.080 0.000 1.014 218 S CB 0.915 64.156 63.200 0.069 0.000 0.991 218 S HN 0.287 nan 8.310 nan 0.000 0.533 219 P HA -0.039 nan 4.420 nan 0.000 0.215 219 P C 1.613 178.936 177.300 0.038 0.000 1.153 219 P CA 1.936 65.062 63.100 0.044 0.000 0.853 219 P CB -0.206 31.513 31.700 0.032 0.000 0.788 220 A N -1.075 121.777 122.820 0.053 0.000 1.908 220 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 220 A C 2.125 179.743 177.584 0.056 0.000 1.181 220 A CA 1.615 53.681 52.037 0.049 0.000 0.627 220 A CB -1.846 17.190 19.000 0.060 0.000 0.818 220 A HN 0.177 nan 8.150 nan 0.000 0.445 221 F N -0.498 119.432 119.950 -0.033 0.000 2.113 221 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 221 F C 2.100 177.872 175.800 -0.048 0.000 1.103 221 F CA 2.086 60.054 58.000 -0.053 0.000 1.248 221 F CB -0.309 38.623 39.000 -0.113 0.000 0.999 221 F HN 0.229 nan 8.300 nan 0.000 0.475 222 M N 0.839 120.337 119.600 -0.170 0.000 2.149 222 M HA -0.231 4.248 4.480 -0.000 0.000 0.261 222 M C 2.110 178.284 176.300 -0.209 0.000 1.064 222 M CA 1.783 56.948 55.300 -0.225 0.000 1.102 222 M CB -0.690 31.889 32.600 -0.036 0.000 1.369 222 M HN 0.308 nan 8.290 nan 0.000 0.408 223 Q N -1.040 118.685 119.800 -0.126 0.000 2.119 223 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 223 Q C 2.164 178.098 176.000 -0.109 0.000 0.972 223 Q CA 1.530 57.283 55.803 -0.083 0.000 0.847 223 Q CB -0.132 28.585 28.738 -0.036 0.000 0.903 223 Q HN 0.515 nan 8.270 nan 0.000 0.433 224 R N -0.050 120.354 120.500 -0.159 0.000 2.092 224 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 224 R C 2.166 178.363 176.300 -0.171 0.000 1.119 224 R CA 0.825 56.848 56.100 -0.128 0.000 0.970 224 R CB -0.248 29.988 30.300 -0.105 0.000 0.864 224 R HN 0.164 nan 8.270 nan 0.000 0.440 225 L N 0.959 121.973 121.223 -0.347 0.000 2.093 225 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 225 L C 2.298 179.104 176.870 -0.107 0.000 1.085 225 L CA 1.684 56.354 54.840 -0.284 0.000 0.755 225 L CB -0.341 41.424 42.059 -0.490 0.000 0.904 225 L HN -0.088 nan 8.230 nan 0.000 0.435 226 R N 0.082 120.522 120.500 -0.100 0.000 2.075 226 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 226 R C 2.104 178.392 176.300 -0.020 0.000 1.126 226 R CA 1.655 57.733 56.100 -0.038 0.000 0.963 226 R CB -0.785 29.497 30.300 -0.030 0.000 0.858 226 R HN 0.429 nan 8.270 nan 0.000 0.435 227 A N 0.718 123.522 122.820 -0.026 0.000 1.898 227 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 227 A C 2.227 179.816 177.584 0.008 0.000 1.181 227 A CA 1.322 53.351 52.037 -0.013 0.000 0.620 227 A CB -0.700 18.294 19.000 -0.010 0.000 0.819 227 A HN 0.439 nan 8.150 nan 0.000 0.442 228 L N -0.522 120.727 121.223 0.043 0.000 2.046 228 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 228 L C 2.494 179.465 176.870 0.167 0.000 1.077 228 L CA 2.053 56.977 54.840 0.139 0.000 0.747 228 L CB -0.436 41.711 42.059 0.147 0.000 0.896 228 L HN 0.472 nan 8.230 nan 0.000 0.432 229 C N 0.307 119.672 119.300 0.109 0.000 2.432 229 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 229 C C 2.319 177.334 174.990 0.041 0.000 1.249 229 C CA 0.811 59.892 59.018 0.105 0.000 1.725 229 C CB -1.040 26.741 27.740 0.068 0.000 2.028 229 C HN 0.616 nan 8.230 nan 0.000 0.477 230 D N 0.393 120.790 120.400 -0.004 0.000 2.123 230 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 230 D C 2.066 178.316 176.300 -0.084 0.000 0.992 230 D CA 1.471 55.446 54.000 -0.042 0.000 0.833 230 D CB -0.639 40.135 40.800 -0.044 0.000 0.954 230 D HN 0.692 nan 8.370 nan 0.000 0.455 231 E N -0.242 119.876 120.200 -0.136 0.000 2.153 231 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 231 E C 1.071 177.414 176.600 -0.428 0.000 0.988 231 E CA 0.991 57.214 56.400 -0.295 0.000 0.811 231 E CB 0.103 29.565 29.700 -0.396 0.000 0.746 231 E HN 0.406 nan 8.360 nan 0.000 0.466 232 H N -1.446 117.589 119.070 -0.058 0.000 2.594 232 H HA 0.220 4.776 4.556 -0.000 0.000 0.279 232 H C 1.007 176.282 175.328 -0.089 0.000 1.042 232 H CA 0.588 56.568 56.048 -0.113 0.000 1.177 232 H CB 1.209 30.844 29.762 -0.211 0.000 1.524 232 H HN 0.370 nan 8.280 nan 0.000 0.537 233 G N 1.822 110.626 108.800 0.007 0.000 2.179 233 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 233 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 233 G C 0.203 175.111 174.900 0.014 0.000 1.010 233 G CA 0.210 45.306 45.100 -0.007 0.000 0.736 233 G HN 0.348 nan 8.290 nan 0.000 0.513 234 I N 1.114 121.713 120.570 0.049 0.000 2.428 234 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 234 I C 1.021 177.165 176.117 0.046 0.000 1.019 234 I CA -0.845 60.491 61.300 0.060 0.000 1.351 234 I CB 0.978 39.046 38.000 0.114 0.000 1.412 234 I HN -0.022 nan 8.210 nan 0.000 0.513 235 M N 6.368 125.991 119.600 0.038 0.000 2.200 235 M HA 0.202 4.681 4.480 -0.000 0.000 0.355 235 M C -0.544 175.787 176.300 0.053 0.000 1.283 235 M CA -0.596 54.721 55.300 0.028 0.000 1.124 235 M CB 0.706 33.317 32.600 0.018 0.000 1.625 235 M HN 0.295 nan 8.290 nan 0.000 0.463 236 L N 5.867 127.119 121.223 0.050 0.000 2.257 236 L HA 0.481 4.820 4.340 -0.000 0.000 0.290 236 L C -0.873 176.038 176.870 0.069 0.000 1.044 236 L CA 0.183 55.065 54.840 0.071 0.000 0.810 236 L CB 0.167 42.262 42.059 0.059 0.000 1.193 236 L HN 0.563 nan 8.230 nan 0.000 0.425 237 I N 5.595 126.213 120.570 0.080 0.000 2.330 237 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 237 I C 0.173 176.345 176.117 0.091 0.000 1.001 237 I CA -0.557 60.783 61.300 0.067 0.000 1.193 237 I CB 1.544 39.570 38.000 0.042 0.000 1.345 237 I HN 0.768 nan 8.210 nan 0.000 0.461 238 A N 4.903 127.775 122.820 0.087 0.000 2.279 238 A HA 0.276 4.596 4.320 -0.000 0.000 0.306 238 A C -0.397 177.264 177.584 0.128 0.000 1.300 238 A CA -0.426 51.679 52.037 0.113 0.000 0.925 238 A CB 0.227 19.283 19.000 0.094 0.000 1.152 238 A HN 0.666 nan 8.150 nan 0.000 0.544 239 D N 2.633 123.135 120.400 0.170 0.000 2.411 239 D HA 0.162 4.801 4.640 -0.000 0.000 0.225 239 D C 0.242 176.659 176.300 0.194 0.000 1.156 239 D CA 0.099 54.212 54.000 0.189 0.000 0.874 239 D CB 0.569 41.544 40.800 0.291 0.000 1.034 239 D HN 0.564 nan 8.370 nan 0.000 0.502 240 E N 2.922 123.251 120.200 0.215 0.000 2.585 240 E HA 0.055 4.405 4.350 -0.000 0.000 0.206 240 E C 1.511 178.250 176.600 0.232 0.000 1.007 240 E CA -0.122 56.427 56.400 0.247 0.000 1.028 240 E CB 0.999 30.955 29.700 0.427 0.000 1.087 240 E HN 0.324 nan 8.360 nan 0.000 0.455 241 V N 0.948 120.975 119.914 0.189 0.000 2.392 241 V HA -0.307 3.812 4.120 -0.000 0.000 0.249 241 V C 2.353 178.514 176.094 0.112 0.000 1.059 241 V CA 2.192 64.586 62.300 0.157 0.000 1.051 241 V CB -0.199 31.700 31.823 0.127 0.000 0.658 241 V HN 0.336 nan 8.190 nan 0.000 0.455 242 Q N -0.591 119.262 119.800 0.087 0.000 2.387 242 Q HA -0.068 4.272 4.340 -0.000 0.000 0.212 242 Q C 2.313 178.303 176.000 -0.017 0.000 0.925 242 Q CA 0.989 56.817 55.803 0.042 0.000 0.901 242 Q CB 0.151 28.920 28.738 0.051 0.000 1.020 242 Q HN 0.728 nan 8.270 nan 0.000 0.545 243 S N -0.461 115.228 115.700 -0.018 0.000 2.453 243 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 243 S C 1.108 175.648 174.600 -0.099 0.000 1.005 243 S CA 0.278 58.434 58.200 -0.074 0.000 0.949 243 S CB -0.254 62.926 63.200 -0.034 0.000 0.774 243 S HN 0.384 nan 8.310 nan 0.000 0.510 244 G N 0.137 108.896 108.800 -0.070 0.000 2.588 244 G HA2 0.468 4.428 3.960 -0.000 0.000 0.278 244 G HA3 0.468 4.428 3.960 -0.000 0.000 0.278 244 G C 0.575 175.201 174.900 -0.457 0.000 1.307 244 G CA -0.429 44.475 45.100 -0.326 0.000 1.016 244 G HN 1.346 nan 8.290 nan 0.000 0.503 245 A N -2.247 120.072 122.820 -0.834 0.000 2.745 245 A HA 0.256 4.576 4.320 -0.000 0.000 0.296 245 A C 2.075 179.303 177.584 -0.593 0.000 1.500 245 A CA 1.869 53.506 52.037 -0.668 0.000 0.766 245 A CB -1.446 17.375 19.000 -0.299 0.000 1.030 245 A HN 2.999 nan 8.150 nan 0.000 0.489 246 G N -1.614 106.808 108.800 -0.630 0.000 2.225 246 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.254 246 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.254 246 G C 0.901 175.748 174.900 -0.089 0.000 0.988 246 G CA 1.257 46.151 45.100 -0.344 0.000 0.625 246 G HN 1.519 nan 8.290 nan 0.000 0.527 247 R N 1.105 121.539 120.500 -0.110 0.000 2.133 247 R HA -0.082 4.258 4.340 -0.000 0.000 0.247 247 R C 2.807 179.046 176.300 -0.101 0.000 1.151 247 R CA 2.838 58.887 56.100 -0.085 0.000 0.971 247 R CB -0.723 29.504 30.300 -0.120 0.000 0.866 247 R HN 0.772 nan 8.270 nan 0.000 0.447 248 T N -4.456 110.027 114.554 -0.118 0.000 3.107 248 T HA 0.309 4.659 4.350 -0.000 0.000 0.249 248 T C 1.225 175.888 174.700 -0.062 0.000 1.096 248 T CA 0.424 62.465 62.100 -0.098 0.000 1.012 248 T CB 0.625 69.436 68.868 -0.095 0.000 0.977 248 T HN 0.382 nan 8.240 nan 0.000 0.527 249 G N 1.020 109.791 108.800 -0.049 0.000 2.238 249 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 249 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 249 G C 0.271 175.152 174.900 -0.032 0.000 0.996 249 G CA 0.123 45.209 45.100 -0.024 0.000 0.632 249 G HN 1.195 nan 8.290 nan 0.000 0.503 250 T N -1.779 112.736 114.554 -0.066 0.000 2.916 250 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 250 T C 1.125 175.718 174.700 -0.179 0.000 1.064 250 T CA -0.002 62.052 62.100 -0.078 0.000 1.011 250 T CB 2.107 70.952 68.868 -0.038 0.000 1.152 250 T HN 0.756 nan 8.240 nan 0.000 0.510 251 L N -0.221 120.868 121.223 -0.222 0.000 2.042 251 L HA 0.309 4.649 4.340 -0.000 0.000 0.210 251 L C -0.297 176.144 176.870 -0.714 0.000 1.076 251 L CA 1.701 56.256 54.840 -0.475 0.000 0.749 251 L CB -0.556 41.291 42.059 -0.354 0.000 0.893 251 L HN 0.696 nan 8.230 nan 0.000 0.432 252 F N -2.607 117.259 119.950 -0.140 0.000 2.551 252 F HA 0.501 5.028 4.527 -0.000 0.000 0.316 252 F C 1.024 176.786 175.800 -0.063 0.000 1.089 252 F CA -0.334 57.610 58.000 -0.094 0.000 0.915 252 F CB 1.329 40.282 39.000 -0.078 0.000 1.186 252 F HN -0.198 nan 8.300 nan 0.000 0.456 253 A N 2.502 125.385 122.820 0.105 0.000 2.019 253 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 253 A C 2.047 179.677 177.584 0.077 0.000 1.164 253 A CA 1.296 53.367 52.037 0.056 0.000 0.644 253 A CB -0.420 18.602 19.000 0.036 0.000 0.805 253 A HN 0.722 nan 8.150 nan 0.000 0.449 254 M N -0.457 119.210 119.600 0.111 0.000 2.279 254 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 254 M C 1.791 178.122 176.300 0.051 0.000 1.062 254 M CA 1.067 56.412 55.300 0.075 0.000 1.099 254 M CB -1.264 31.375 32.600 0.065 0.000 1.394 254 M HN 0.557 nan 8.290 nan 0.000 0.426 255 E N 0.311 120.546 120.200 0.057 0.000 2.118 255 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 255 E C 1.559 178.171 176.600 0.020 0.000 0.992 255 E CA 1.117 57.535 56.400 0.030 0.000 0.804 255 E CB 0.035 29.754 29.700 0.031 0.000 0.741 255 E HN 0.629 nan 8.360 nan 0.000 0.458 256 Q N -0.948 118.866 119.800 0.024 0.000 2.444 256 Q HA 0.037 4.376 4.340 -0.000 0.000 0.206 256 Q C 1.331 177.345 176.000 0.023 0.000 0.948 256 Q CA 0.151 55.965 55.803 0.018 0.000 0.946 256 Q CB 0.366 29.112 28.738 0.014 0.000 1.027 256 Q HN 0.222 nan 8.270 nan 0.000 0.513 257 M N -1.584 118.033 119.600 0.028 0.000 2.509 257 M HA 0.181 4.661 4.480 -0.000 0.000 0.250 257 M C 1.225 177.537 176.300 0.019 0.000 1.132 257 M CA 0.747 56.063 55.300 0.028 0.000 1.080 257 M CB 0.092 32.713 32.600 0.034 0.000 1.408 257 M HN 0.348 nan 8.290 nan 0.000 0.484 258 G N 1.362 110.171 108.800 0.016 0.000 2.179 258 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 258 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 258 G C 0.186 175.095 174.900 0.015 0.000 0.977 258 G CA 0.415 45.523 45.100 0.013 0.000 0.641 258 G HN 0.557 nan 8.290 nan 0.000 0.533 259 V N -3.639 116.286 119.914 0.019 0.000 3.147 259 V HA 0.985 5.105 4.120 -0.000 0.000 0.306 259 V C -0.031 176.088 176.094 0.042 0.000 1.209 259 V CA -0.715 61.602 62.300 0.029 0.000 1.023 259 V CB 1.597 33.429 31.823 0.015 0.000 1.059 259 V HN 1.807 nan 8.190 nan 0.000 0.435 260 A N 2.894 125.761 122.820 0.078 0.000 2.337 260 A HA 1.017 5.337 4.320 -0.000 0.000 0.329 260 A C -2.508 175.157 177.584 0.135 0.000 1.146 260 A CA -1.813 50.287 52.037 0.104 0.000 0.800 260 A CB 1.277 20.367 19.000 0.150 0.000 1.220 260 A HN 0.832 nan 8.150 nan 0.000 0.472 261 P HA 0.280 nan 4.420 nan 0.000 0.279 261 P C -0.507 176.883 177.300 0.150 0.000 1.276 261 P CA -0.264 62.896 63.100 0.100 0.000 0.801 261 P CB 1.202 32.943 31.700 0.069 0.000 1.127 262 D N -0.577 119.875 120.400 0.086 0.000 2.213 262 D HA 0.119 4.759 4.640 -0.000 0.000 0.205 262 D C 0.483 176.831 176.300 0.080 0.000 0.961 262 D CA 1.190 55.225 54.000 0.059 0.000 0.853 262 D CB 0.349 41.147 40.800 -0.003 0.000 0.967 262 D HN 0.257 nan 8.370 nan 0.000 0.496 263 L N -0.152 121.107 121.223 0.060 0.000 2.422 263 L HA 0.358 4.698 4.340 -0.000 0.000 0.264 263 L C -0.713 176.176 176.870 0.032 0.000 0.984 263 L CA -0.413 54.453 54.840 0.042 0.000 0.819 263 L CB 2.780 44.855 42.059 0.026 0.000 1.330 263 L HN -0.352 nan 8.230 nan 0.000 0.410 264 T N 0.206 114.769 114.554 0.015 0.000 2.881 264 T HA 0.519 4.869 4.350 -0.000 0.000 0.290 264 T C -0.341 174.393 174.700 0.057 0.000 1.000 264 T CA -0.613 61.492 62.100 0.009 0.000 0.978 264 T CB 1.777 70.565 68.868 -0.133 0.000 0.997 264 T HN 0.667 nan 8.240 nan 0.000 0.443 265 T N 1.114 115.712 114.554 0.074 0.000 2.867 265 T HA 0.839 5.188 4.350 -0.000 0.000 0.282 265 T C -0.539 174.257 174.700 0.159 0.000 1.000 265 T CA -0.818 61.285 62.100 0.005 0.000 1.042 265 T CB 0.504 69.368 68.868 -0.007 0.000 0.973 265 T HN 0.512 nan 8.240 nan 0.000 0.465 266 F N -0.174 119.834 119.950 0.097 0.000 2.626 266 F HA 0.990 5.517 4.527 -0.000 0.000 0.311 266 F C -0.276 175.580 175.800 0.095 0.000 1.088 266 F CA -1.098 56.997 58.000 0.159 0.000 0.949 266 F CB 1.120 40.288 39.000 0.281 0.000 1.322 266 F HN 1.000 nan 8.300 nan 0.000 0.461 267 A N 0.719 123.707 122.820 0.281 0.000 5.813 267 A HA 0.542 4.861 4.320 -0.000 0.000 0.186 267 A C 0.231 177.906 177.584 0.151 0.000 0.898 267 A CA -0.200 51.932 52.037 0.159 0.000 0.822 267 A CB -0.492 18.542 19.000 0.056 0.000 2.156 267 A HN 0.894 nan 8.150 nan 0.000 1.053 268 K N -1.080 119.378 120.400 0.095 0.000 2.026 268 K HA -0.295 4.025 4.320 -0.000 0.000 0.145 268 K C 1.511 178.154 176.600 0.072 0.000 0.872 268 K CA 2.159 58.487 56.287 0.068 0.000 0.349 268 K CB -1.586 30.946 32.500 0.054 0.000 0.715 268 K HN 0.541 nan 8.250 nan 0.000 0.815 269 S N 0.542 116.276 115.700 0.057 0.000 2.547 269 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 269 S C 1.602 176.247 174.600 0.075 0.000 0.980 269 S CA 0.862 59.097 58.200 0.057 0.000 0.941 269 S CB -0.195 63.031 63.200 0.043 0.000 0.763 269 S HN 0.331 nan 8.310 nan 0.000 0.532 270 I N 1.715 122.339 120.570 0.090 0.000 2.264 270 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 270 I C 1.721 177.900 176.117 0.104 0.000 1.111 270 I CA 1.177 62.528 61.300 0.084 0.000 1.382 270 I CB -0.271 37.859 38.000 0.216 0.000 1.060 270 I HN 0.218 nan 8.210 nan 0.000 0.418 271 A N -0.607 122.300 122.820 0.144 0.000 2.535 271 A HA 0.544 4.863 4.320 -0.000 0.000 0.273 271 A C 1.556 179.300 177.584 0.266 0.000 1.267 271 A CA 0.223 52.370 52.037 0.182 0.000 0.940 271 A CB -0.980 18.149 19.000 0.215 0.000 1.101 271 A HN 0.675 nan 8.150 nan 0.000 0.521 272 G N -0.863 108.048 108.800 0.185 0.000 2.361 272 G HA2 0.115 4.075 3.960 -0.000 0.000 0.294 272 G HA3 0.115 4.075 3.960 -0.000 0.000 0.294 272 G C 1.297 176.289 174.900 0.153 0.000 1.004 272 G CA 1.014 46.215 45.100 0.170 0.000 0.870 272 G HN 2.151 nan 8.290 nan 0.000 0.510 273 G N -2.893 105.941 108.800 0.056 0.000 2.148 273 G HA2 0.082 4.041 3.960 -0.000 0.000 0.157 273 G HA3 0.082 4.041 3.960 -0.000 0.000 0.157 273 G C -0.051 174.520 174.900 -0.549 0.000 1.012 273 G CA -0.035 44.930 45.100 -0.225 0.000 0.677 273 G HN 1.093 nan 8.290 nan 0.000 0.506 274 F N -0.059 119.905 119.950 0.023 0.000 2.565 274 F HA 0.591 5.118 4.527 -0.000 0.000 0.313 274 F C -2.288 173.524 175.800 0.020 0.000 1.091 274 F CA -2.727 55.285 58.000 0.020 0.000 0.915 274 F CB 2.062 41.077 39.000 0.025 0.000 1.208 274 F HN -0.193 nan 8.300 nan 0.000 0.453 275 P HA 0.223 nan 4.420 nan 0.000 0.263 275 P C -1.137 176.227 177.300 0.106 0.000 1.247 275 P CA 0.380 63.532 63.100 0.087 0.000 0.876 275 P CB 0.329 32.050 31.700 0.036 0.000 0.928 276 L N 3.199 124.482 121.223 0.099 0.000 2.545 276 L HA 0.799 5.139 4.340 -0.000 0.000 0.258 276 L C -1.569 175.337 176.870 0.060 0.000 0.942 276 L CA -0.613 54.279 54.840 0.087 0.000 0.855 276 L CB 1.946 44.075 42.059 0.117 0.000 1.374 276 L HN 0.376 nan 8.230 nan 0.000 0.411 277 A N 1.997 124.803 122.820 -0.022 0.000 2.593 277 A HA 1.043 5.363 4.320 -0.000 0.000 0.290 277 A C -0.714 176.610 177.584 -0.432 0.000 1.126 277 A CA -0.049 51.886 52.037 -0.170 0.000 0.695 277 A CB 1.655 20.581 19.000 -0.123 0.000 1.290 277 A HN 1.452 nan 8.150 nan 0.000 0.414 278 G N -1.549 106.650 108.800 -1.002 0.000 2.559 278 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 278 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 278 G C -2.067 172.219 174.900 -1.025 0.000 1.424 278 G CA -0.198 44.233 45.100 -1.116 0.000 0.786 278 G HN 1.396 nan 8.290 nan 0.000 0.485 279 V N 0.392 120.051 119.914 -0.426 0.000 2.525 279 V HA 0.676 4.796 4.120 -0.000 0.000 0.299 279 V C -0.373 175.750 176.094 0.048 0.000 1.034 279 V CA -0.578 61.631 62.300 -0.151 0.000 0.863 279 V CB 1.746 33.515 31.823 -0.091 0.000 0.999 279 V HN 0.827 nan 8.190 nan 0.000 0.423 280 T N 3.559 118.195 114.554 0.137 0.000 2.792 280 T HA 0.841 5.191 4.350 -0.000 0.000 0.280 280 T C 0.212 174.939 174.700 0.045 0.000 0.990 280 T CA -0.264 61.898 62.100 0.103 0.000 0.960 280 T CB 1.714 70.621 68.868 0.066 0.000 0.939 280 T HN 1.100 nan 8.240 nan 0.000 0.439 281 G N 1.311 110.147 108.800 0.060 0.000 2.600 281 G HA2 0.525 4.484 3.960 -0.000 0.000 0.293 281 G HA3 0.525 4.484 3.960 -0.000 0.000 0.293 281 G C -1.175 173.815 174.900 0.150 0.000 1.408 281 G CA -1.099 44.060 45.100 0.099 0.000 0.782 281 G HN 0.693 nan 8.290 nan 0.000 0.482 282 R N 0.348 120.970 120.500 0.203 0.000 2.526 282 R HA 0.158 4.498 4.340 -0.000 0.000 0.319 282 R C 1.754 178.098 176.300 0.073 0.000 0.888 282 R CA 0.763 56.950 56.100 0.146 0.000 1.127 282 R CB 0.275 30.493 30.300 -0.137 0.000 0.888 282 R HN 0.708 nan 8.270 nan 0.000 0.410 283 A N 5.174 128.054 122.820 0.099 0.000 1.903 283 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 283 A C 1.833 179.431 177.584 0.024 0.000 1.191 283 A CA 1.982 54.055 52.037 0.059 0.000 0.638 283 A CB -0.456 18.582 19.000 0.063 0.000 0.823 283 A HN 0.935 nan 8.150 nan 0.000 0.451 284 E N 0.159 120.362 120.200 0.004 0.000 2.204 284 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 284 E C 1.897 178.488 176.600 -0.016 0.000 0.989 284 E CA 1.487 57.881 56.400 -0.010 0.000 0.824 284 E CB -0.904 28.781 29.700 -0.025 0.000 0.756 284 E HN 0.370 nan 8.360 nan 0.000 0.477 285 V N 1.590 121.492 119.914 -0.021 0.000 2.323 285 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 285 V C 2.649 178.740 176.094 -0.005 0.000 1.041 285 V CA 1.750 64.038 62.300 -0.020 0.000 1.025 285 V CB -0.449 31.357 31.823 -0.028 0.000 0.656 285 V HN 0.204 nan 8.190 nan 0.000 0.451 286 M N -0.251 119.353 119.600 0.008 0.000 2.149 286 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 286 M C 1.649 177.956 176.300 0.011 0.000 1.064 286 M CA 1.583 56.892 55.300 0.014 0.000 1.102 286 M CB -1.232 31.385 32.600 0.028 0.000 1.369 286 M HN 0.300 nan 8.290 nan 0.000 0.408 287 D N 0.251 120.657 120.400 0.010 0.000 2.363 287 D HA 0.142 4.782 4.640 -0.000 0.000 0.226 287 D C 1.685 177.985 176.300 0.001 0.000 1.020 287 D CA 0.351 54.356 54.000 0.008 0.000 0.892 287 D CB 0.070 40.876 40.800 0.010 0.000 0.900 287 D HN 0.269 nan 8.370 nan 0.000 0.531 288 A N -0.133 122.685 122.820 -0.004 0.000 2.067 288 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 288 A C 1.197 178.777 177.584 -0.008 0.000 1.158 288 A CA 0.366 52.398 52.037 -0.008 0.000 0.661 288 A CB 0.145 19.137 19.000 -0.013 0.000 0.801 288 A HN 0.068 nan 8.150 nan 0.000 0.452 289 V N 0.824 120.735 119.914 -0.005 0.000 2.461 289 V HA 0.476 4.595 4.120 -0.000 0.000 0.275 289 V C 0.828 176.921 176.094 -0.002 0.000 1.047 289 V CA -0.540 61.757 62.300 -0.006 0.000 0.955 289 V CB 0.661 32.481 31.823 -0.005 0.000 0.988 289 V HN 0.487 nan 8.190 nan 0.000 0.471 290 A N 8.291 131.109 122.820 -0.004 0.000 2.445 290 A HA 0.512 4.832 4.320 -0.000 0.000 0.242 290 A C -1.924 175.660 177.584 -0.001 0.000 1.075 290 A CA -1.040 50.995 52.037 -0.003 0.000 0.777 290 A CB -0.404 18.593 19.000 -0.006 0.000 1.013 290 A HN 0.715 nan 8.150 nan 0.000 0.493 291 P HA 0.153 nan 4.420 nan 0.000 0.264 291 P C 0.984 178.284 177.300 -0.001 0.000 1.179 291 P CA 1.635 64.735 63.100 0.001 0.000 0.763 291 P CB 0.452 32.149 31.700 -0.004 0.000 0.806 292 G N 2.092 110.894 108.800 0.003 0.000 2.217 292 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 292 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 292 G C 1.123 176.025 174.900 0.004 0.000 0.990 292 G CA 0.260 45.362 45.100 0.003 0.000 0.627 292 G HN 0.802 nan 8.290 nan 0.000 0.522 293 G N -0.217 108.586 108.800 0.004 0.000 2.623 293 G HA2 0.456 4.416 3.960 -0.000 0.000 0.214 293 G HA3 0.456 4.416 3.960 -0.000 0.000 0.214 293 G C 0.613 175.516 174.900 0.004 0.000 1.138 293 G CA 0.726 45.826 45.100 0.000 0.000 0.794 293 G HN 0.603 nan 8.290 nan 0.000 0.535 294 L N -0.422 120.811 121.223 0.017 0.000 2.362 294 L HA 0.789 5.129 4.340 -0.000 0.000 0.271 294 L C 0.477 177.375 176.870 0.047 0.000 1.002 294 L CA -0.424 54.432 54.840 0.027 0.000 0.818 294 L CB 2.311 44.389 42.059 0.032 0.000 1.298 294 L HN 0.200 nan 8.230 nan 0.000 0.420 295 G N 0.708 109.540 108.800 0.054 0.000 2.441 295 G HA2 0.582 4.542 3.960 -0.000 0.000 0.225 295 G HA3 0.582 4.542 3.960 -0.000 0.000 0.225 295 G C -0.858 174.092 174.900 0.084 0.000 1.200 295 G CA 0.079 45.227 45.100 0.081 0.000 0.947 295 G HN 1.028 nan 8.290 nan 0.000 0.484 296 G N -2.080 106.772 108.800 0.086 0.000 2.462 296 G HA2 0.479 4.439 3.960 -0.000 0.000 0.424 296 G HA3 0.479 4.439 3.960 -0.000 0.000 0.424 296 G C 0.466 175.429 174.900 0.106 0.000 1.573 296 G CA 0.643 45.790 45.100 0.080 0.000 0.913 296 G HN 1.273 nan 8.290 nan 0.000 0.672 297 T N 1.375 115.945 114.554 0.027 0.000 2.635 297 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 297 T C 1.815 176.659 174.700 0.239 0.000 1.040 297 T CA 2.579 64.695 62.100 0.028 0.000 1.156 297 T CB -0.216 68.508 68.868 -0.239 0.000 0.863 297 T HN 0.535 nan 8.240 nan 0.000 0.430 298 Y N 1.265 121.711 120.300 0.243 0.000 2.490 298 Y HA 0.576 5.126 4.550 -0.000 0.000 0.281 298 Y C 1.465 177.523 175.900 0.263 0.000 1.174 298 Y CA -1.305 56.961 58.100 0.275 0.000 1.295 298 Y CB -1.012 37.543 38.460 0.159 0.000 1.062 298 Y HN 0.143 nan 8.280 nan 0.000 0.522 299 A N 0.832 123.874 122.820 0.370 0.000 2.600 299 A HA 0.281 4.601 4.320 -0.000 0.000 0.244 299 A C 1.600 179.395 177.584 0.352 0.000 1.016 299 A CA 0.941 53.156 52.037 0.297 0.000 0.778 299 A CB -0.853 18.308 19.000 0.269 0.000 0.920 299 A HN 0.988 nan 8.150 nan 0.000 0.513 300 G N 2.659 111.558 108.800 0.165 0.000 2.371 300 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.299 300 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.299 300 G C 0.228 175.331 174.900 0.339 0.000 1.014 300 G CA 0.366 45.507 45.100 0.069 0.000 1.097 300 G HN 1.328 nan 8.290 nan 0.000 0.512 301 N N 0.506 119.360 118.700 0.257 0.000 2.359 301 N HA 0.041 4.781 4.740 -0.000 0.000 0.261 301 N C -0.318 175.271 175.510 0.132 0.000 1.267 301 N CA -0.456 52.725 53.050 0.220 0.000 0.864 301 N CB 0.887 39.464 38.487 0.149 0.000 1.063 301 N HN 0.088 nan 8.380 nan 0.000 0.474 302 P HA -0.177 nan 4.420 nan 0.000 0.215 302 P C 1.395 178.670 177.300 -0.042 0.000 1.163 302 P CA 1.188 64.209 63.100 -0.132 0.000 0.894 302 P CB 0.193 31.656 31.700 -0.395 0.000 0.791 303 I N -0.397 120.144 120.570 -0.049 0.000 2.179 303 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 303 I C 2.375 178.415 176.117 -0.128 0.000 1.088 303 I CA 1.655 62.902 61.300 -0.090 0.000 1.357 303 I CB -1.568 36.395 38.000 -0.061 0.000 1.051 303 I HN -0.124 nan 8.210 nan 0.000 0.409 304 A N -0.903 121.905 122.820 -0.020 0.000 1.969 304 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 304 A C 2.456 180.044 177.584 0.007 0.000 1.169 304 A CA 1.669 53.720 52.037 0.023 0.000 0.635 304 A CB -1.278 17.803 19.000 0.135 0.000 0.810 304 A HN 0.537 nan 8.150 nan 0.000 0.445 305 C N -0.877 118.439 119.300 0.026 0.000 2.453 305 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 305 C C 2.873 177.865 174.990 0.003 0.000 1.262 305 C CA 1.227 60.265 59.018 0.033 0.000 1.718 305 C CB -1.205 26.596 27.740 0.101 0.000 2.031 305 C HN 0.674 nan 8.230 nan 0.000 0.480 306 V N 0.523 120.422 119.914 -0.025 0.000 2.515 306 V HA -0.019 4.101 4.120 -0.000 0.000 0.250 306 V C 2.425 178.468 176.094 -0.086 0.000 1.058 306 V CA 2.075 64.348 62.300 -0.045 0.000 1.064 306 V CB -1.447 30.344 31.823 -0.053 0.000 0.675 306 V HN 0.408 nan 8.190 nan 0.000 0.461 307 A N 0.998 123.722 122.820 -0.160 0.000 1.877 307 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 307 A C 2.545 180.104 177.584 -0.043 0.000 1.186 307 A CA 2.515 54.440 52.037 -0.186 0.000 0.620 307 A CB -1.202 17.560 19.000 -0.396 0.000 0.822 307 A HN 0.970 nan 8.150 nan 0.000 0.443 308 A N -0.271 122.546 122.820 -0.005 0.000 1.883 308 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 308 A C 2.183 179.764 177.584 -0.004 0.000 1.186 308 A CA 1.575 53.624 52.037 0.020 0.000 0.624 308 A CB -0.677 18.345 19.000 0.036 0.000 0.822 308 A HN 0.477 nan 8.150 nan 0.000 0.444 309 L N -1.063 120.152 121.223 -0.012 0.000 2.083 309 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 309 L C 2.666 179.527 176.870 -0.014 0.000 1.083 309 L CA 1.681 56.513 54.840 -0.013 0.000 0.752 309 L CB -0.394 41.663 42.059 -0.005 0.000 0.899 309 L HN 0.386 nan 8.230 nan 0.000 0.433 310 E N -0.119 120.068 120.200 -0.022 0.000 2.107 310 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 310 E C 2.152 178.729 176.600 -0.039 0.000 0.982 310 E CA 0.862 57.244 56.400 -0.031 0.000 0.809 310 E CB -0.113 29.563 29.700 -0.039 0.000 0.756 310 E HN 0.158 nan 8.360 nan 0.000 0.459 311 V N 0.627 120.534 119.914 -0.012 0.000 2.332 311 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 311 V C 2.355 178.528 176.094 0.130 0.000 1.055 311 V CA 1.660 63.981 62.300 0.034 0.000 1.038 311 V CB -0.455 31.425 31.823 0.094 0.000 0.651 311 V HN 0.296 nan 8.190 nan 0.000 0.450 312 L N -0.604 120.658 121.223 0.065 0.000 2.046 312 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 312 L C 2.566 179.478 176.870 0.070 0.000 1.077 312 L CA 1.782 56.653 54.840 0.052 0.000 0.747 312 L CB -0.662 41.380 42.059 -0.028 0.000 0.896 312 L HN 0.273 nan 8.230 nan 0.000 0.432 313 K N -0.395 120.020 120.400 0.024 0.000 2.097 313 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 313 K C 2.048 178.648 176.600 -0.000 0.000 1.049 313 K CA 1.109 57.403 56.287 0.011 0.000 0.933 313 K CB -0.265 32.232 32.500 -0.005 0.000 0.717 313 K HN 0.088 nan 8.250 nan 0.000 0.442 314 V N 0.813 120.697 119.914 -0.050 0.000 2.407 314 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 314 V C 1.882 177.905 176.094 -0.119 0.000 1.055 314 V CA 1.610 63.819 62.300 -0.151 0.000 1.049 314 V CB -0.488 31.089 31.823 -0.410 0.000 0.662 314 V HN 0.178 nan 8.190 nan 0.000 0.455 315 F N -0.002 119.884 119.950 -0.107 0.000 2.171 315 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 315 F C 2.553 178.317 175.800 -0.060 0.000 1.090 315 F CA 1.756 59.705 58.000 -0.084 0.000 1.293 315 F CB -0.101 38.841 39.000 -0.095 0.000 1.013 315 F HN 0.117 nan 8.300 nan 0.000 0.486 316 E N 0.243 120.515 120.200 0.120 0.000 2.008 316 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 316 E C 2.204 178.818 176.600 0.024 0.000 0.986 316 E CA 1.241 57.677 56.400 0.060 0.000 0.807 316 E CB -0.530 29.193 29.700 0.039 0.000 0.766 316 E HN 0.479 nan 8.360 nan 0.000 0.450 317 Q N 0.162 119.968 119.800 0.010 0.000 2.181 317 Q HA -0.138 4.202 4.340 -0.000 0.000 0.205 317 Q C 1.374 177.372 176.000 -0.003 0.000 0.980 317 Q CA 1.132 56.937 55.803 0.004 0.000 0.862 317 Q CB -0.034 28.707 28.738 0.005 0.000 0.905 317 Q HN 0.315 nan 8.270 nan 0.000 0.429 318 E N 0.137 120.322 120.200 -0.024 0.000 2.476 318 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 318 E C -0.307 176.266 176.600 -0.045 0.000 1.029 318 E CA -0.317 56.062 56.400 -0.035 0.000 0.896 318 E CB 0.073 29.743 29.700 -0.050 0.000 1.012 318 E HN 0.307 nan 8.360 nan 0.000 0.475 319 N N 1.195 119.882 118.700 -0.021 0.000 2.725 319 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 319 N C 0.804 176.302 175.510 -0.020 0.000 1.103 319 N CA -0.249 52.798 53.050 -0.005 0.000 0.707 319 N CB -0.709 37.775 38.487 -0.005 0.000 1.043 319 N HN 0.261 nan 8.380 nan 0.000 0.553 320 L N 0.028 121.208 121.223 -0.072 0.000 2.131 320 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 320 L C 2.398 179.299 176.870 0.050 0.000 1.092 320 L CA 1.111 55.865 54.840 -0.143 0.000 0.759 320 L CB -0.361 41.304 42.059 -0.657 0.000 0.903 320 L HN 0.371 nan 8.230 nan 0.000 0.435 321 L N -0.430 120.905 121.223 0.187 0.000 2.042 321 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 321 L C 2.731 179.635 176.870 0.057 0.000 1.076 321 L CA 1.237 56.164 54.840 0.144 0.000 0.749 321 L CB -0.476 41.642 42.059 0.098 0.000 0.893 321 L HN 0.309 nan 8.230 nan 0.000 0.432 322 Q N 0.804 120.627 119.800 0.037 0.000 2.079 322 Q HA -0.192 4.147 4.340 -0.000 0.000 0.200 322 Q C 2.071 178.074 176.000 0.004 0.000 0.974 322 Q CA 1.724 57.536 55.803 0.015 0.000 0.840 322 Q CB -0.032 28.712 28.738 0.010 0.000 0.898 322 Q HN 0.301 nan 8.270 nan 0.000 0.430 323 K N -0.374 120.023 120.400 -0.005 0.000 2.097 323 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 323 K C 2.029 178.618 176.600 -0.019 0.000 1.049 323 K CA 1.030 57.306 56.287 -0.019 0.000 0.933 323 K CB -0.257 32.218 32.500 -0.042 0.000 0.717 323 K HN 0.286 nan 8.250 nan 0.000 0.442 324 A N 2.032 124.848 122.820 -0.007 0.000 1.902 324 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 324 A C 1.815 179.392 177.584 -0.012 0.000 1.181 324 A CA 1.616 53.648 52.037 -0.007 0.000 0.623 324 A CB -0.417 18.598 19.000 0.025 0.000 0.818 324 A HN 0.230 nan 8.150 nan 0.000 0.443 325 N N 0.454 119.152 118.700 -0.004 0.000 2.142 325 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 325 N C 1.088 176.594 175.510 -0.006 0.000 1.023 325 N CA 1.495 54.541 53.050 -0.006 0.000 0.852 325 N CB -0.409 38.077 38.487 -0.001 0.000 0.998 325 N HN 0.452 nan 8.380 nan 0.000 0.424 326 D N 0.881 121.278 120.400 -0.006 0.000 2.117 326 D HA -0.104 4.535 4.640 -0.000 0.000 0.198 326 D C 2.100 178.396 176.300 -0.007 0.000 0.982 326 D CA 0.370 54.368 54.000 -0.004 0.000 0.828 326 D CB -0.363 40.435 40.800 -0.004 0.000 0.967 326 D HN 0.142 nan 8.370 nan 0.000 0.464 327 L N 1.055 122.269 121.223 -0.016 0.000 2.046 327 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 327 L C 2.150 179.007 176.870 -0.022 0.000 1.077 327 L CA 2.238 57.063 54.840 -0.025 0.000 0.747 327 L CB -0.922 41.108 42.059 -0.048 0.000 0.896 327 L HN 0.042 nan 8.230 nan 0.000 0.432 328 G N -1.436 107.352 108.800 -0.020 0.000 2.422 328 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 328 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 328 G C 1.508 176.408 174.900 -0.000 0.000 1.146 328 G CA 0.824 45.917 45.100 -0.013 0.000 0.769 328 G HN 0.466 nan 8.290 nan 0.000 0.547 329 Q N 0.602 120.402 119.800 0.001 0.000 2.046 329 Q HA 0.028 4.367 4.340 -0.000 0.000 0.200 329 Q C 2.534 178.541 176.000 0.011 0.000 0.975 329 Q CA 1.519 57.326 55.803 0.007 0.000 0.836 329 Q CB -0.214 28.527 28.738 0.006 0.000 0.896 329 Q HN 0.476 nan 8.270 nan 0.000 0.428 330 K N -0.291 120.115 120.400 0.011 0.000 2.057 330 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 330 K C 2.112 178.728 176.600 0.026 0.000 1.049 330 K CA 1.353 57.651 56.287 0.018 0.000 0.931 330 K CB -0.238 32.273 32.500 0.019 0.000 0.714 330 K HN 0.222 nan 8.250 nan 0.000 0.440 331 L N 1.158 122.395 121.223 0.023 0.000 2.056 331 L HA -0.188 4.151 4.340 -0.000 0.000 0.207 331 L C 2.309 179.199 176.870 0.033 0.000 1.078 331 L CA 1.361 56.224 54.840 0.037 0.000 0.749 331 L CB -0.307 41.765 42.059 0.022 0.000 0.901 331 L HN 0.141 nan 8.230 nan 0.000 0.433 332 K N -0.312 120.102 120.400 0.024 0.000 2.097 332 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 332 K C 1.635 178.245 176.600 0.017 0.000 1.050 332 K CA 1.175 57.475 56.287 0.021 0.000 0.938 332 K CB -0.136 32.376 32.500 0.020 0.000 0.718 332 K HN 0.277 nan 8.250 nan 0.000 0.442 333 D N 0.320 120.731 120.400 0.018 0.000 2.117 333 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 333 D C 1.982 178.291 176.300 0.015 0.000 0.982 333 D CA 1.235 55.244 54.000 0.015 0.000 0.828 333 D CB -0.373 40.436 40.800 0.015 0.000 0.967 333 D HN 0.324 nan 8.370 nan 0.000 0.464 334 G N 0.651 109.464 108.800 0.022 0.000 2.408 334 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 334 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 334 G C 1.784 176.691 174.900 0.012 0.000 1.150 334 G CA 0.209 45.324 45.100 0.024 0.000 0.776 334 G HN 0.241 nan 8.290 nan 0.000 0.542 335 L N -0.225 121.003 121.223 0.008 0.000 2.109 335 L HA 0.102 4.441 4.340 -0.000 0.000 0.207 335 L C 2.792 179.635 176.870 -0.044 0.000 1.086 335 L CA 0.302 55.129 54.840 -0.023 0.000 0.760 335 L CB -0.325 41.729 42.059 -0.008 0.000 0.910 335 L HN 0.156 nan 8.230 nan 0.000 0.437 336 L N -0.304 120.909 121.223 -0.017 0.000 2.093 336 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 336 L C 2.882 179.744 176.870 -0.014 0.000 1.085 336 L CA 0.991 55.822 54.840 -0.014 0.000 0.755 336 L CB -0.648 41.412 42.059 0.002 0.000 0.904 336 L HN 0.225 nan 8.230 nan 0.000 0.435 337 A N 0.480 123.296 122.820 -0.007 0.000 1.877 337 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 337 A C 2.196 179.779 177.584 -0.002 0.000 1.186 337 A CA 1.598 53.635 52.037 -0.000 0.000 0.620 337 A CB -0.672 18.333 19.000 0.008 0.000 0.822 337 A HN 0.363 nan 8.150 nan 0.000 0.443 338 I N -0.154 120.404 120.570 -0.020 0.000 2.286 338 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 338 I C 2.834 178.938 176.117 -0.022 0.000 1.115 338 I CA 0.967 62.254 61.300 -0.021 0.000 1.392 338 I CB -0.315 37.605 38.000 -0.133 0.000 1.065 338 I HN 0.339 nan 8.210 nan 0.000 0.418 339 A N 0.461 123.234 122.820 -0.079 0.000 2.070 339 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 339 A C 2.121 179.696 177.584 -0.014 0.000 1.159 339 A CA 1.365 53.364 52.037 -0.062 0.000 0.656 339 A CB -0.547 18.421 19.000 -0.054 0.000 0.800 339 A HN 0.476 nan 8.150 nan 0.000 0.453 340 E N -0.246 119.947 120.200 -0.012 0.000 2.268 340 E HA -0.137 4.212 4.350 -0.000 0.000 0.195 340 E C 1.358 177.930 176.600 -0.047 0.000 0.995 340 E CA 1.093 57.483 56.400 -0.017 0.000 0.836 340 E CB -0.045 29.648 29.700 -0.011 0.000 0.763 340 E HN 0.635 nan 8.360 nan 0.000 0.491 341 K N -0.285 120.071 120.400 -0.075 0.000 2.355 341 K HA 0.127 4.446 4.320 -0.000 0.000 0.198 341 K C 0.063 176.361 176.600 -0.504 0.000 1.039 341 K CA 0.164 56.300 56.287 -0.251 0.000 1.075 341 K CB 0.729 33.062 32.500 -0.277 0.000 0.870 341 K HN 0.094 nan 8.250 nan 0.000 0.540 342 H N 0.389 119.432 119.070 -0.045 0.000 2.854 342 H HA 0.152 4.708 4.556 -0.000 0.000 0.275 342 H C -2.363 172.956 175.328 -0.016 0.000 1.198 342 H CA -1.819 54.214 56.048 -0.024 0.000 1.489 342 H CB 1.715 31.426 29.762 -0.086 0.000 1.519 342 H HN -0.137 nan 8.280 nan 0.000 0.503 343 P HA -0.170 nan 4.420 nan 0.000 0.218 343 P C 1.151 178.541 177.300 0.150 0.000 1.146 343 P CA 1.159 64.319 63.100 0.099 0.000 0.813 343 P CB 0.532 32.280 31.700 0.079 0.000 0.778 344 E N -0.502 119.805 120.200 0.178 0.000 2.209 344 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 344 E C 0.665 177.355 176.600 0.150 0.000 0.993 344 E CA 0.554 57.075 56.400 0.202 0.000 0.819 344 E CB -0.768 29.073 29.700 0.236 0.000 0.745 344 E HN 0.330 nan 8.360 nan 0.000 0.477 345 I N 1.239 121.856 120.570 0.078 0.000 2.372 345 I HA 0.025 4.195 4.170 -0.000 0.000 0.298 345 I C 1.370 177.533 176.117 0.077 0.000 1.137 345 I CA -0.075 61.221 61.300 -0.008 0.000 1.314 345 I CB 0.687 38.603 38.000 -0.140 0.000 1.444 345 I HN 0.083 nan 8.210 nan 0.000 0.541 346 G N 4.075 112.949 108.800 0.123 0.000 2.777 346 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.211 346 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.211 346 G C 0.053 175.133 174.900 0.300 0.000 1.149 346 G CA 0.248 45.590 45.100 0.403 0.000 0.785 346 G HN 0.580 nan 8.290 nan 0.000 0.536 347 D N -1.224 119.238 120.400 0.103 0.000 2.836 347 D HA 0.394 5.034 4.640 -0.000 0.000 0.215 347 D C -1.365 174.951 176.300 0.027 0.000 1.255 347 D CA -0.362 53.689 54.000 0.085 0.000 0.822 347 D CB 2.091 42.951 40.800 0.101 0.000 1.656 347 D HN -0.124 nan 8.370 nan 0.000 0.511 348 V N 4.237 124.175 119.914 0.039 0.000 2.443 348 V HA 0.730 4.850 4.120 -0.000 0.000 0.293 348 V C -0.081 176.038 176.094 0.043 0.000 1.021 348 V CA -0.542 61.774 62.300 0.026 0.000 0.848 348 V CB 1.387 33.220 31.823 0.016 0.000 0.998 348 V HN 0.670 nan 8.190 nan 0.000 0.424 349 R N 3.079 123.609 120.500 0.051 0.000 2.795 349 R HA 0.959 5.299 4.340 -0.000 0.000 0.268 349 R C -0.355 175.983 176.300 0.064 0.000 1.041 349 R CA -0.649 55.488 56.100 0.061 0.000 0.927 349 R CB 2.267 32.617 30.300 0.082 0.000 1.235 349 R HN 1.211 nan 8.270 nan 0.000 0.463 350 G N 0.564 109.392 108.800 0.046 0.000 2.306 350 G HA2 0.177 4.136 3.960 -0.000 0.000 0.340 350 G HA3 0.177 4.136 3.960 -0.000 0.000 0.340 350 G C -1.485 173.407 174.900 -0.013 0.000 1.630 350 G CA -1.048 44.059 45.100 0.013 0.000 0.937 350 G HN 0.389 nan 8.290 nan 0.000 0.693 351 L N 2.174 123.366 121.223 -0.052 0.000 2.312 351 L HA 0.576 4.916 4.340 -0.000 0.000 0.281 351 L C 1.722 178.555 176.870 -0.061 0.000 1.070 351 L CA 0.734 55.547 54.840 -0.046 0.000 0.805 351 L CB 1.007 43.035 42.059 -0.052 0.000 1.174 351 L HN 1.762 nan 8.230 nan 0.000 0.434 352 G N 3.051 111.828 108.800 -0.038 0.000 2.660 352 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.321 352 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.321 352 G C 0.571 175.447 174.900 -0.040 0.000 1.246 352 G CA 0.486 45.564 45.100 -0.037 0.000 1.000 352 G HN 0.929 nan 8.290 nan 0.000 0.550 353 A N -0.786 122.004 122.820 -0.051 0.000 2.545 353 A HA 0.693 5.013 4.320 -0.000 0.000 0.277 353 A C 1.068 178.619 177.584 -0.055 0.000 1.301 353 A CA 0.966 52.974 52.037 -0.048 0.000 0.935 353 A CB -0.019 18.950 19.000 -0.051 0.000 1.093 353 A HN 0.760 nan 8.150 nan 0.000 0.519 354 M N 2.032 121.562 119.600 -0.116 0.000 3.347 354 M HA 0.319 4.799 4.480 -0.000 0.000 0.260 354 M C -1.346 174.903 176.300 -0.084 0.000 1.362 354 M CA -0.144 54.995 55.300 -0.268 0.000 1.497 354 M CB -0.295 31.978 32.600 -0.546 0.000 1.080 354 M HN 0.090 nan 8.290 nan 0.000 0.592 355 I N 2.197 122.873 120.570 0.176 0.000 2.392 355 I HA 0.718 4.888 4.170 -0.000 0.000 0.295 355 I C 0.131 176.433 176.117 0.309 0.000 0.985 355 I CA -0.602 60.820 61.300 0.204 0.000 1.221 355 I CB 0.979 39.031 38.000 0.087 0.000 1.366 355 I HN 0.555 nan 8.210 nan 0.000 0.467 356 A N 6.996 129.939 122.820 0.204 0.000 2.594 356 A HA 0.917 5.237 4.320 -0.000 0.000 0.291 356 A C -0.883 176.703 177.584 0.004 0.000 1.105 356 A CA -0.569 51.495 52.037 0.044 0.000 0.694 356 A CB 2.259 21.247 19.000 -0.019 0.000 1.291 356 A HN 0.693 nan 8.150 nan 0.000 0.410 357 I N -1.963 118.580 120.570 -0.045 0.000 2.730 357 I HA 0.829 4.998 4.170 -0.000 0.000 0.298 357 I C -0.686 175.368 176.117 -0.104 0.000 1.089 357 I CA -0.561 60.710 61.300 -0.048 0.000 1.041 357 I CB 2.222 40.204 38.000 -0.029 0.000 1.235 357 I HN 0.746 nan 8.210 nan 0.000 0.423 358 E N 5.474 125.578 120.200 -0.160 0.000 2.187 358 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 358 E C -1.678 174.616 176.600 -0.511 0.000 0.896 358 E CA -0.806 55.405 56.400 -0.315 0.000 0.766 358 E CB 1.948 31.457 29.700 -0.318 0.000 1.142 358 E HN 0.677 nan 8.360 nan 0.000 0.408 359 L N 5.153 126.124 121.223 -0.420 0.000 2.289 359 L HA 0.511 4.850 4.340 -0.000 0.000 0.285 359 L C -0.693 175.950 176.870 -0.378 0.000 1.049 359 L CA -0.623 54.043 54.840 -0.291 0.000 0.804 359 L CB 0.585 42.629 42.059 -0.025 0.000 1.195 359 L HN 0.545 nan 8.230 nan 0.000 0.428 360 F N 0.208 120.246 119.950 0.147 0.000 2.551 360 F HA 0.345 4.872 4.527 -0.000 0.000 0.316 360 F C 0.370 176.242 175.800 0.120 0.000 1.089 360 F CA -0.988 57.098 58.000 0.143 0.000 0.915 360 F CB 1.851 40.961 39.000 0.182 0.000 1.186 360 F HN 0.429 nan 8.300 nan 0.000 0.456 361 E N 1.377 121.755 120.200 0.297 0.000 2.366 361 E HA 0.044 4.394 4.350 -0.000 0.000 0.266 361 E C -0.718 175.983 176.600 0.169 0.000 1.015 361 E CA 0.361 56.872 56.400 0.185 0.000 0.906 361 E CB 0.245 30.023 29.700 0.132 0.000 0.979 361 E HN 0.586 nan 8.360 nan 0.000 0.443 362 D N 2.469 122.954 120.400 0.142 0.000 2.983 362 D HA -0.211 4.429 4.640 -0.000 0.000 0.225 362 D C 0.735 177.109 176.300 0.122 0.000 1.174 362 D CA 1.399 55.465 54.000 0.109 0.000 0.831 362 D CB -1.312 39.531 40.800 0.070 0.000 1.104 362 D HN 0.888 nan 8.370 nan 0.000 0.421 363 G N 0.225 109.149 108.800 0.206 0.000 2.179 363 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 363 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 363 G C -0.205 174.772 174.900 0.127 0.000 1.010 363 G CA 0.258 45.505 45.100 0.245 0.000 0.736 363 G HN 0.609 nan 8.290 nan 0.000 0.513 364 D N -0.975 119.474 120.400 0.083 0.000 2.347 364 D HA 0.435 5.075 4.640 -0.000 0.000 0.235 364 D C 1.446 177.584 176.300 -0.270 0.000 1.149 364 D CA -0.631 53.316 54.000 -0.088 0.000 0.850 364 D CB 0.045 40.825 40.800 -0.034 0.000 1.061 364 D HN 0.435 nan 8.370 nan 0.000 0.487 365 H N 2.561 121.215 119.070 -0.693 0.000 2.539 365 H HA -0.104 4.452 4.556 -0.000 0.000 0.292 365 H C 0.691 175.755 175.328 -0.439 0.000 1.069 365 H CA 0.369 55.758 56.048 -1.097 0.000 1.244 365 H CB 0.426 29.796 29.762 -0.652 0.000 1.365 365 H HN 0.411 nan 8.280 nan 0.000 0.575 366 N N 0.685 119.318 118.700 -0.112 0.000 2.325 366 N HA -0.000 4.740 4.740 -0.000 0.000 0.182 366 N C -0.077 175.423 175.510 -0.016 0.000 1.088 366 N CA 0.438 53.464 53.050 -0.039 0.000 0.879 366 N CB 0.572 39.035 38.487 -0.041 0.000 0.983 366 N HN 0.303 nan 8.380 nan 0.000 0.471 367 K N 1.640 122.065 120.400 0.042 0.000 2.432 367 K HA 0.347 4.667 4.320 -0.000 0.000 0.226 367 K C -2.674 174.079 176.600 0.255 0.000 1.057 367 K CA -1.602 54.747 56.287 0.103 0.000 1.034 367 K CB 1.518 34.071 32.500 0.088 0.000 1.561 367 K HN -0.092 nan 8.250 nan 0.000 0.492 368 P HA -0.085 nan 4.420 nan 0.000 0.266 368 P C -0.660 176.762 177.300 0.204 0.000 1.195 368 P CA 0.072 63.357 63.100 0.309 0.000 0.768 368 P CB 0.519 32.348 31.700 0.214 0.000 0.838 369 D N 2.516 123.017 120.400 0.168 0.000 2.485 369 D HA 0.280 4.920 4.640 -0.000 0.000 0.256 369 D C 0.994 177.347 176.300 0.087 0.000 1.141 369 D CA -0.456 53.614 54.000 0.117 0.000 0.942 369 D CB 0.238 41.105 40.800 0.112 0.000 1.003 369 D HN 0.205 nan 8.370 nan 0.000 0.507 370 A N 3.490 126.376 122.820 0.109 0.000 1.969 370 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 370 A C 2.011 179.618 177.584 0.038 0.000 1.169 370 A CA 1.087 53.189 52.037 0.107 0.000 0.635 370 A CB -0.016 19.084 19.000 0.166 0.000 0.810 370 A HN 0.419 nan 8.150 nan 0.000 0.445 371 K N -0.856 119.560 120.400 0.026 0.000 2.025 371 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 371 K C 1.911 178.497 176.600 -0.023 0.000 1.049 371 K CA 1.264 57.548 56.287 -0.005 0.000 0.933 371 K CB -0.380 32.120 32.500 0.001 0.000 0.714 371 K HN 0.374 nan 8.250 nan 0.000 0.438 372 L N 1.620 122.838 121.223 -0.010 0.000 2.042 372 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 372 L C 1.957 178.772 176.870 -0.091 0.000 1.076 372 L CA 1.964 56.778 54.840 -0.043 0.000 0.749 372 L CB -0.839 41.222 42.059 0.004 0.000 0.893 372 L HN 0.128 nan 8.230 nan 0.000 0.432 373 T N -0.043 114.481 114.554 -0.050 0.000 2.708 373 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 373 T C 1.911 176.561 174.700 -0.083 0.000 1.037 373 T CA 1.463 63.526 62.100 -0.063 0.000 1.146 373 T CB -0.602 68.253 68.868 -0.021 0.000 0.865 373 T HN 0.533 nan 8.240 nan 0.000 0.435 374 A N 1.167 123.947 122.820 -0.066 0.000 1.933 374 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 374 A C 2.211 179.741 177.584 -0.091 0.000 1.175 374 A CA 1.811 53.802 52.037 -0.078 0.000 0.628 374 A CB -0.562 18.393 19.000 -0.075 0.000 0.814 374 A HN 0.608 nan 8.150 nan 0.000 0.444 375 E N -0.326 119.813 120.200 -0.100 0.000 2.072 375 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 375 E C 1.793 178.298 176.600 -0.158 0.000 0.985 375 E CA 1.074 57.406 56.400 -0.114 0.000 0.801 375 E CB -0.102 29.529 29.700 -0.114 0.000 0.750 375 E HN 0.503 nan 8.360 nan 0.000 0.452 376 I N 0.936 121.371 120.570 -0.225 0.000 2.226 376 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 376 I C 2.472 178.493 176.117 -0.160 0.000 1.100 376 I CA 0.783 61.906 61.300 -0.296 0.000 1.374 376 I CB -1.017 36.711 38.000 -0.454 0.000 1.057 376 I HN 0.096 nan 8.210 nan 0.000 0.413 377 V N 1.393 121.245 119.914 -0.103 0.000 2.343 377 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 377 V C 2.817 178.912 176.094 0.001 0.000 1.051 377 V CA 1.854 64.135 62.300 -0.031 0.000 1.036 377 V CB -1.052 30.749 31.823 -0.037 0.000 0.654 377 V HN 0.456 nan 8.190 nan 0.000 0.451 378 A N -0.146 122.653 122.820 -0.035 0.000 1.873 378 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 378 A C 2.375 179.946 177.584 -0.021 0.000 1.186 378 A CA 1.769 53.797 52.037 -0.015 0.000 0.616 378 A CB -0.484 18.494 19.000 -0.037 0.000 0.823 378 A HN 0.492 nan 8.150 nan 0.000 0.442 379 R N -0.529 119.935 120.500 -0.060 0.000 2.073 379 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 379 R C 2.511 178.776 176.300 -0.059 0.000 1.134 379 R CA 1.251 57.311 56.100 -0.066 0.000 0.952 379 R CB -0.530 29.707 30.300 -0.106 0.000 0.850 379 R HN 0.508 nan 8.270 nan 0.000 0.433 380 A N 1.365 124.144 122.820 -0.070 0.000 1.908 380 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 380 A C 2.158 179.717 177.584 -0.041 0.000 1.181 380 A CA 1.332 53.328 52.037 -0.068 0.000 0.627 380 A CB -0.535 18.423 19.000 -0.070 0.000 0.818 380 A HN 0.154 nan 8.150 nan 0.000 0.445 381 R N -0.136 120.364 120.500 0.001 0.000 2.081 381 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 381 R C 1.201 177.541 176.300 0.066 0.000 1.131 381 R CA 1.920 58.042 56.100 0.037 0.000 0.960 381 R CB -0.642 29.706 30.300 0.081 0.000 0.856 381 R HN 0.461 nan 8.270 nan 0.000 0.436 382 D N 0.583 121.000 120.400 0.029 0.000 2.221 382 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 382 D C 1.054 177.338 176.300 -0.028 0.000 0.982 382 D CA 1.192 55.198 54.000 0.011 0.000 0.857 382 D CB 0.028 40.825 40.800 -0.005 0.000 0.934 382 D HN 0.258 nan 8.370 nan 0.000 0.475 383 K N -0.616 119.757 120.400 -0.045 0.000 2.437 383 K HA 0.245 4.565 4.320 -0.000 0.000 0.198 383 K C 0.827 177.359 176.600 -0.114 0.000 1.024 383 K CA 0.249 56.490 56.287 -0.077 0.000 1.148 383 K CB 0.776 33.229 32.500 -0.077 0.000 0.860 383 K HN 0.073 nan 8.250 nan 0.000 0.515 384 G N 1.752 110.489 108.800 -0.104 0.000 2.160 384 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.244 384 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.244 384 G C -0.546 174.310 174.900 -0.074 0.000 1.022 384 G CA -0.109 44.889 45.100 -0.171 0.000 0.741 384 G HN 0.217 nan 8.290 nan 0.000 0.508 385 L N 1.109 122.295 121.223 -0.061 0.000 2.349 385 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 385 L C -0.238 176.558 176.870 -0.123 0.000 0.996 385 L CA -1.370 53.379 54.840 -0.152 0.000 0.825 385 L CB 1.145 43.050 42.059 -0.256 0.000 1.243 385 L HN 0.056 nan 8.230 nan 0.000 0.412 386 I N 6.675 127.164 120.570 -0.135 0.000 2.312 386 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 386 I C -0.151 175.958 176.117 -0.014 0.000 1.031 386 I CA -0.077 61.088 61.300 -0.225 0.000 1.293 386 I CB 0.656 38.480 38.000 -0.293 0.000 1.403 386 I HN 0.569 nan 8.210 nan 0.000 0.484 387 L N 6.669 127.935 121.223 0.072 0.000 2.301 387 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 387 L C -0.505 176.463 176.870 0.164 0.000 1.016 387 L CA -0.831 54.087 54.840 0.130 0.000 0.821 387 L CB 2.719 44.826 42.059 0.080 0.000 1.346 387 L HN 0.318 nan 8.230 nan 0.000 0.429 388 L N 0.513 121.764 121.223 0.046 0.000 2.370 388 L HA 0.562 4.902 4.340 -0.000 0.000 0.266 388 L C -0.229 176.580 176.870 -0.102 0.000 1.002 388 L CA -0.341 54.481 54.840 -0.031 0.000 0.818 388 L CB 2.439 44.465 42.059 -0.056 0.000 1.325 388 L HN 0.779 nan 8.230 nan 0.000 0.418 389 S N 0.557 116.188 115.700 -0.115 0.000 2.766 389 S HA 0.882 5.352 4.470 -0.000 0.000 0.307 389 S C -0.324 174.179 174.600 -0.161 0.000 1.121 389 S CA -0.443 57.677 58.200 -0.133 0.000 0.980 389 S CB 2.154 65.308 63.200 -0.077 0.000 1.159 389 S HN 0.945 nan 8.310 nan 0.000 0.546 390 C N -2.494 116.703 119.300 -0.172 0.000 3.253 390 C HA 0.946 5.406 4.460 -0.000 0.000 0.361 390 C C 0.200 175.067 174.990 -0.206 0.000 1.498 390 C CA -0.076 58.830 59.018 -0.186 0.000 1.163 390 C CB 0.111 27.686 27.740 -0.273 0.000 1.687 390 C HN 2.679 nan 8.230 nan 0.000 0.430 391 G N 0.726 109.382 108.800 -0.240 0.000 2.712 391 G HA2 0.174 4.134 3.960 -0.000 0.000 0.686 391 G HA3 0.174 4.134 3.960 -0.000 0.000 0.686 391 G C -1.804 172.798 174.900 -0.498 0.000 1.181 391 G CA 0.007 44.939 45.100 -0.281 0.000 0.762 391 G HN 0.867 nan 8.290 nan 0.000 0.641 392 P HA -0.097 nan 4.420 nan 0.000 0.222 392 P C 0.719 177.173 177.300 -1.410 0.000 1.147 392 P CA 1.525 64.066 63.100 -0.932 0.000 0.790 392 P CB -0.009 31.161 31.700 -0.883 0.000 0.780 393 Y N -2.474 117.526 120.300 -0.500 0.000 2.636 393 Y HA 0.220 4.770 4.550 -0.000 0.000 0.260 393 Y C 0.300 176.095 175.900 -0.175 0.000 1.177 393 Y CA -0.828 57.067 58.100 -0.342 0.000 1.209 393 Y CB -0.548 37.858 38.460 -0.089 0.000 1.166 393 Y HN -0.221 nan 8.280 nan 0.000 0.531 394 Y N 0.228 120.519 120.300 -0.015 0.000 3.721 394 Y HA -0.345 4.205 4.550 -0.000 0.000 0.218 394 Y C 0.580 176.465 175.900 -0.026 0.000 1.188 394 Y CA 0.652 58.728 58.100 -0.040 0.000 1.607 394 Y CB -2.285 36.151 38.460 -0.040 0.000 1.496 394 Y HN 0.487 nan 8.280 nan 0.000 0.626 395 N N -1.100 117.636 118.700 0.059 0.000 2.338 395 N HA 0.300 5.040 4.740 -0.000 0.000 0.251 395 N C -0.809 174.655 175.510 -0.077 0.000 1.199 395 N CA 0.047 53.107 53.050 0.017 0.000 0.879 395 N CB 0.429 38.945 38.487 0.048 0.000 1.159 395 N HN 0.162 nan 8.380 nan 0.000 0.514 396 V N 1.403 121.254 119.914 -0.105 0.000 2.448 396 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 396 V C -0.114 175.871 176.094 -0.182 0.000 1.025 396 V CA -0.747 61.451 62.300 -0.171 0.000 0.859 396 V CB 2.102 33.776 31.823 -0.248 0.000 0.988 396 V HN 0.149 nan 8.190 nan 0.000 0.431 397 L N 6.406 127.537 121.223 -0.154 0.000 2.282 397 L HA 0.648 4.988 4.340 -0.000 0.000 0.288 397 L C 0.351 177.087 176.870 -0.222 0.000 1.033 397 L CA -0.450 54.307 54.840 -0.138 0.000 0.807 397 L CB 1.232 43.273 42.059 -0.031 0.000 1.209 397 L HN 0.723 nan 8.230 nan 0.000 0.423 398 R N 3.545 123.846 120.500 -0.332 0.000 2.732 398 R HA 0.789 5.129 4.340 -0.000 0.000 0.278 398 R C -1.064 175.125 176.300 -0.185 0.000 0.976 398 R CA -0.837 54.963 56.100 -0.500 0.000 0.963 398 R CB 1.762 31.299 30.300 -1.272 0.000 1.150 398 R HN 0.409 nan 8.270 nan 0.000 0.478 399 I N 2.725 123.274 120.570 -0.035 0.000 2.382 399 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 399 I C -0.016 176.110 176.117 0.016 0.000 1.002 399 I CA -0.510 60.787 61.300 -0.004 0.000 1.135 399 I CB 1.697 39.682 38.000 -0.025 0.000 1.288 399 I HN 0.547 nan 8.210 nan 0.000 0.448 400 L N 7.195 128.398 121.223 -0.033 0.000 3.202 400 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 400 L C 0.264 177.072 176.870 -0.105 0.000 1.268 400 L CA -0.247 54.585 54.840 -0.013 0.000 1.034 400 L CB 1.006 43.092 42.059 0.046 0.000 1.407 400 L HN 0.380 nan 8.230 nan 0.000 0.581 401 V N 1.861 121.611 119.914 -0.274 0.000 2.901 401 V HA 0.088 4.208 4.120 -0.000 0.000 0.307 401 V C -1.719 174.260 176.094 -0.191 0.000 1.084 401 V CA -0.884 61.222 62.300 -0.323 0.000 1.184 401 V CB 0.977 32.290 31.823 -0.849 0.000 0.941 401 V HN 0.085 nan 8.190 nan 0.000 0.493 402 P HA 0.030 nan 4.420 nan 0.000 0.266 402 P C 0.710 177.952 177.300 -0.095 0.000 1.193 402 P CA 0.370 63.420 63.100 -0.083 0.000 0.770 402 P CB 0.318 31.991 31.700 -0.045 0.000 0.836 403 L N 1.609 122.775 121.223 -0.096 0.000 2.465 403 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 403 L C 1.808 178.618 176.870 -0.100 0.000 1.145 403 L CA 1.381 56.158 54.840 -0.105 0.000 0.834 403 L CB -1.076 40.903 42.059 -0.135 0.000 0.944 403 L HN 0.474 nan 8.230 nan 0.000 0.451 404 T N -2.473 112.033 114.554 -0.081 0.000 3.148 404 T HA 0.085 4.435 4.350 -0.000 0.000 0.253 404 T C 0.870 175.558 174.700 -0.021 0.000 1.134 404 T CA -0.275 61.797 62.100 -0.046 0.000 1.051 404 T CB -0.273 68.593 68.868 -0.005 0.000 0.959 404 T HN 0.164 nan 8.240 nan 0.000 0.525 405 I N 2.203 122.759 120.570 -0.023 0.000 2.815 405 I HA 0.023 4.193 4.170 -0.000 0.000 0.291 405 I C 0.151 176.275 176.117 0.010 0.000 1.209 405 I CA -0.023 61.280 61.300 0.004 0.000 1.431 405 I CB 0.556 38.556 38.000 0.001 0.000 1.351 405 I HN 0.145 nan 8.210 nan 0.000 0.585 406 E N 6.014 126.230 120.200 0.026 0.000 2.349 406 E HA 0.053 4.402 4.350 -0.000 0.000 0.262 406 E C 0.556 177.175 176.600 0.032 0.000 1.088 406 E CA -0.327 56.087 56.400 0.023 0.000 0.899 406 E CB 0.702 30.416 29.700 0.024 0.000 1.044 406 E HN 0.570 nan 8.360 nan 0.000 0.420 407 D N 1.384 121.798 120.400 0.024 0.000 2.123 407 D HA -0.191 4.448 4.640 -0.000 0.000 0.196 407 D C 1.515 177.836 176.300 0.036 0.000 0.992 407 D CA 1.658 55.674 54.000 0.028 0.000 0.833 407 D CB 0.126 40.937 40.800 0.020 0.000 0.954 407 D HN 0.483 nan 8.370 nan 0.000 0.455 408 A N 0.949 123.788 122.820 0.031 0.000 1.908 408 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 408 A C 2.161 179.768 177.584 0.038 0.000 1.181 408 A CA 1.518 53.572 52.037 0.028 0.000 0.627 408 A CB -0.491 18.522 19.000 0.021 0.000 0.818 408 A HN 0.084 nan 8.150 nan 0.000 0.445 409 Q N -0.198 119.633 119.800 0.052 0.000 2.224 409 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 409 Q C 1.854 177.938 176.000 0.139 0.000 0.970 409 Q CA 1.099 56.948 55.803 0.077 0.000 0.865 409 Q CB -0.445 28.349 28.738 0.093 0.000 0.922 409 Q HN 0.772 nan 8.270 nan 0.000 0.445 410 I N -0.031 120.621 120.570 0.137 0.000 2.179 410 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 410 I C 2.165 178.364 176.117 0.136 0.000 1.088 410 I CA 1.192 62.600 61.300 0.179 0.000 1.357 410 I CB -0.223 37.837 38.000 0.099 0.000 1.051 410 I HN 0.178 nan 8.210 nan 0.000 0.409 411 R N 0.390 120.936 120.500 0.076 0.000 2.083 411 R HA -0.259 4.081 4.340 -0.000 0.000 0.237 411 R C 2.301 178.619 176.300 0.029 0.000 1.137 411 R CA 1.851 57.980 56.100 0.048 0.000 0.951 411 R CB -0.539 29.779 30.300 0.031 0.000 0.851 411 R HN 0.495 nan 8.270 nan 0.000 0.434 412 Q N 0.266 120.075 119.800 0.015 0.000 2.084 412 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 412 Q C 2.040 177.989 176.000 -0.086 0.000 0.978 412 Q CA 1.864 57.650 55.803 -0.030 0.000 0.844 412 Q CB -0.256 28.460 28.738 -0.036 0.000 0.898 412 Q HN 0.408 nan 8.270 nan 0.000 0.426 413 G N 1.090 109.829 108.800 -0.102 0.000 2.418 413 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 413 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 413 G C 1.396 176.214 174.900 -0.137 0.000 1.158 413 G CA 0.827 45.723 45.100 -0.340 0.000 0.771 413 G HN 0.326 nan 8.290 nan 0.000 0.545 414 L N -0.065 121.175 121.223 0.028 0.000 2.083 414 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 414 L C 2.910 179.792 176.870 0.019 0.000 1.083 414 L CA 0.901 55.773 54.840 0.054 0.000 0.752 414 L CB -0.280 41.823 42.059 0.074 0.000 0.899 414 L HN 0.111 nan 8.230 nan 0.000 0.433 415 E N 0.620 120.821 120.200 0.000 0.000 2.051 415 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 415 E C 2.266 178.858 176.600 -0.013 0.000 0.991 415 E CA 1.378 57.778 56.400 -0.001 0.000 0.799 415 E CB -0.176 29.518 29.700 -0.009 0.000 0.748 415 E HN 0.454 nan 8.360 nan 0.000 0.449 416 I N 0.684 121.222 120.570 -0.054 0.000 2.163 416 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 416 I C 2.477 178.571 176.117 -0.040 0.000 1.085 416 I CA 1.005 62.262 61.300 -0.071 0.000 1.347 416 I CB -0.307 37.611 38.000 -0.138 0.000 1.044 416 I HN 0.090 nan 8.210 nan 0.000 0.408 417 I N -0.188 120.370 120.570 -0.021 0.000 2.226 417 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 417 I C 2.792 179.001 176.117 0.154 0.000 1.100 417 I CA 1.377 62.716 61.300 0.065 0.000 1.374 417 I CB -0.405 37.661 38.000 0.110 0.000 1.057 417 I HN 0.216 nan 8.210 nan 0.000 0.413 418 S N 0.332 116.093 115.700 0.101 0.000 2.359 418 S HA -0.278 4.192 4.470 -0.000 0.000 0.224 418 S C 2.010 176.674 174.600 0.106 0.000 1.035 418 S CA 1.771 60.033 58.200 0.103 0.000 1.018 418 S CB -0.168 63.071 63.200 0.066 0.000 0.876 418 S HN 0.463 nan 8.310 nan 0.000 0.448 419 Q N -0.538 119.296 119.800 0.058 0.000 2.119 419 Q HA -0.062 4.277 4.340 -0.000 0.000 0.201 419 Q C 2.530 178.535 176.000 0.010 0.000 0.972 419 Q CA 1.555 57.380 55.803 0.037 0.000 0.847 419 Q CB -0.360 28.382 28.738 0.007 0.000 0.903 419 Q HN 0.621 nan 8.270 nan 0.000 0.433 420 C N -0.163 119.120 119.300 -0.029 0.000 2.425 420 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 420 C C 2.226 177.088 174.990 -0.212 0.000 1.280 420 C CA 0.521 59.459 59.018 -0.134 0.000 1.744 420 C CB -0.974 26.642 27.740 -0.208 0.000 1.989 420 C HN 0.438 nan 8.230 nan 0.000 0.491 421 F N 1.314 121.144 119.950 -0.200 0.000 2.163 421 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 421 F C 2.218 177.906 175.800 -0.187 0.000 1.094 421 F CA 1.661 59.429 58.000 -0.387 0.000 1.290 421 F CB -0.501 37.938 39.000 -0.936 0.000 1.017 421 F HN 0.201 nan 8.300 nan 0.000 0.483 422 D N 0.243 120.732 120.400 0.149 0.000 2.097 422 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 422 D C 1.940 178.321 176.300 0.136 0.000 0.989 422 D CA 1.382 55.537 54.000 0.258 0.000 0.827 422 D CB -0.481 40.433 40.800 0.189 0.000 0.966 422 D HN 0.383 nan 8.370 nan 0.000 0.456 423 E N 0.231 120.464 120.200 0.056 0.000 2.347 423 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 423 E C 1.804 178.405 176.600 0.002 0.000 1.008 423 E CA 0.502 56.914 56.400 0.021 0.000 0.852 423 E CB 0.108 29.805 29.700 -0.006 0.000 0.783 423 E HN 0.174 nan 8.360 nan 0.000 0.505 424 A N 1.867 124.676 122.820 -0.017 0.000 2.072 424 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 424 A C 1.982 179.580 177.584 0.024 0.000 1.156 424 A CA 0.883 52.896 52.037 -0.039 0.000 0.701 424 A CB -0.162 18.758 19.000 -0.134 0.000 0.816 424 A HN 0.173 nan 8.150 nan 0.000 0.458 425 K N -0.400 120.050 120.400 0.084 0.000 2.361 425 K HA 0.161 4.481 4.320 -0.000 0.000 0.194 425 K C 0.664 177.306 176.600 0.070 0.000 1.032 425 K CA -0.184 56.165 56.287 0.104 0.000 1.048 425 K CB -0.024 32.584 32.500 0.180 0.000 0.842 425 K HN 0.509 nan 8.250 nan 0.000 0.526 426 Q N 0.000 119.835 119.800 0.058 0.000 2.315 426 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 426 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 426 Q CB 0.000 28.758 28.738 0.033 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481