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 1sf2_1_C DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA 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 0.000 175.476 175.510 -0.056 0.000 1.280 2 N CA 0.000 53.010 53.050 -0.067 0.000 0.885 2 N CB 0.000 38.466 38.487 -0.034 0.000 1.341 3 S N -0.351 115.301 115.700 -0.080 0.000 2.566 3 S HA 0.502 4.973 4.470 0.001 0.000 0.298 3 S C 0.704 175.250 174.600 -0.089 0.000 1.083 3 S CA -0.517 57.653 58.200 -0.049 0.000 0.978 3 S CB 1.994 65.174 63.200 -0.033 0.000 1.073 3 S HN 0.018 nan 8.310 nan 0.000 0.491 4 N N 1.673 120.361 118.700 -0.020 0.000 2.104 4 N HA -0.147 4.594 4.740 0.001 0.000 0.190 4 N C 1.431 176.925 175.510 -0.027 0.000 1.024 4 N CA 1.428 54.486 53.050 0.012 0.000 0.853 4 N CB -0.531 38.031 38.487 0.124 0.000 1.008 4 N HN 0.687 nan 8.380 nan 0.000 0.424 5 K N 1.638 122.030 120.400 -0.014 0.000 2.032 5 K HA -0.088 4.232 4.320 0.001 0.000 0.209 5 K C 1.752 178.321 176.600 -0.052 0.000 1.048 5 K CA 1.362 57.641 56.287 -0.012 0.000 0.927 5 K CB -0.175 32.322 32.500 -0.005 0.000 0.712 5 K HN 0.253 nan 8.250 nan 0.000 0.441 6 E N -0.107 120.041 120.200 -0.087 0.000 2.110 6 E HA -0.140 4.210 4.350 0.001 0.000 0.193 6 E C 2.009 178.506 176.600 -0.171 0.000 0.988 6 E CA 1.211 57.549 56.400 -0.104 0.000 0.804 6 E CB -0.104 29.537 29.700 -0.098 0.000 0.745 6 E HN 0.243 nan 8.360 nan 0.000 0.458 7 L N 0.223 121.247 121.223 -0.333 0.000 2.093 7 L HA -0.163 4.177 4.340 0.001 0.000 0.208 7 L C 2.490 179.182 176.870 -0.296 0.000 1.085 7 L CA 0.599 55.063 54.840 -0.627 0.000 0.755 7 L CB -0.276 40.779 42.059 -1.673 0.000 0.904 7 L HN 0.230 nan 8.230 nan 0.000 0.435 8 M N -0.595 118.965 119.600 -0.067 0.000 2.159 8 M HA -0.191 4.289 4.480 0.001 0.000 0.263 8 M C 2.240 178.578 176.300 0.065 0.000 1.063 8 M CA 1.679 57.068 55.300 0.148 0.000 1.110 8 M CB -0.915 31.771 32.600 0.143 0.000 1.374 8 M HN 0.349 nan 8.290 nan 0.000 0.411 9 Q N -0.579 119.224 119.800 0.005 0.000 2.079 9 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 9 Q C 2.192 178.195 176.000 0.005 0.000 0.974 9 Q CA 1.156 56.960 55.803 0.002 0.000 0.840 9 Q CB -0.182 28.547 28.738 -0.015 0.000 0.898 9 Q HN 0.496 nan 8.270 nan 0.000 0.430 10 R N 0.475 120.966 120.500 -0.014 0.000 2.081 10 R HA -0.093 4.247 4.340 0.001 0.000 0.235 10 R C 2.392 178.717 176.300 0.041 0.000 1.131 10 R CA 1.118 57.217 56.100 -0.003 0.000 0.960 10 R CB -0.217 30.061 30.300 -0.036 0.000 0.856 10 R HN 0.155 nan 8.270 nan 0.000 0.436 11 R N 0.849 121.402 120.500 0.089 0.000 2.091 11 R HA -0.151 4.189 4.340 0.001 0.000 0.238 11 R C 2.185 178.531 176.300 0.076 0.000 1.136 11 R CA 2.131 58.310 56.100 0.132 0.000 0.959 11 R CB -0.274 30.162 30.300 0.226 0.000 0.856 11 R HN 0.274 nan 8.270 nan 0.000 0.437 12 S N -0.207 115.528 115.700 0.058 0.000 2.442 12 S HA -0.108 4.362 4.470 0.001 0.000 0.236 12 S C 1.565 176.181 174.600 0.027 0.000 1.007 12 S CA 0.824 59.046 58.200 0.036 0.000 0.965 12 S CB 0.086 63.302 63.200 0.027 0.000 0.773 12 S HN 0.383 nan 8.310 nan 0.000 0.504 13 Q N -0.079 119.737 119.800 0.027 0.000 2.384 13 Q HA 0.444 4.785 4.340 0.001 0.000 0.207 13 Q C 1.877 177.891 176.000 0.023 0.000 0.904 13 Q CA 0.953 56.768 55.803 0.020 0.000 0.933 13 Q CB 0.269 29.015 28.738 0.014 0.000 1.077 13 Q HN 0.722 nan 8.270 nan 0.000 0.522 14 A N -0.389 122.450 122.820 0.032 0.000 2.127 14 A HA 0.317 4.638 4.320 0.001 0.000 0.204 14 A C 0.854 178.459 177.584 0.034 0.000 1.243 14 A CA 0.017 52.074 52.037 0.033 0.000 0.887 14 A CB 0.645 19.669 19.000 0.040 0.000 0.933 14 A HN 0.159 nan 8.150 nan 0.000 0.479 15 I N 1.804 122.397 120.570 0.039 0.000 2.530 15 I HA 0.334 4.504 4.170 0.001 0.000 0.297 15 I C -2.298 173.834 176.117 0.026 0.000 1.011 15 I CA -2.498 58.822 61.300 0.034 0.000 1.107 15 I CB 2.075 40.099 38.000 0.040 0.000 1.285 15 I HN 0.073 nan 8.210 nan 0.000 0.436 16 P HA 0.111 nan 4.420 nan 0.000 0.271 16 P C -0.043 177.266 177.300 0.014 0.000 1.218 16 P CA -0.370 62.740 63.100 0.017 0.000 0.780 16 P CB 0.601 32.312 31.700 0.018 0.000 0.901 17 R N 1.333 121.839 120.500 0.010 0.000 2.237 17 R HA -0.024 4.317 4.340 0.001 0.000 0.219 17 R C 2.053 178.355 176.300 0.003 0.000 1.080 17 R CA 1.286 57.389 56.100 0.005 0.000 0.995 17 R CB -1.462 28.838 30.300 0.001 0.000 0.875 17 R HN 0.506 nan 8.270 nan 0.000 0.462 18 G N 1.421 110.226 108.800 0.009 0.000 2.462 18 G HA2 -0.125 3.835 3.960 0.001 0.000 0.220 18 G HA3 -0.125 3.835 3.960 0.001 0.000 0.220 18 G C 0.490 175.402 174.900 0.019 0.000 1.121 18 G CA 0.391 45.499 45.100 0.015 0.000 0.758 18 G HN 0.164 nan 8.290 nan 0.000 0.559 19 V N 1.835 121.757 119.914 0.012 0.000 2.356 19 V HA 0.507 4.628 4.120 0.001 0.000 0.258 19 V C 1.186 177.276 176.094 -0.006 0.000 1.065 19 V CA -0.560 61.745 62.300 0.007 0.000 0.935 19 V CB 0.343 32.168 31.823 0.003 0.000 1.061 19 V HN 0.252 nan 8.190 nan 0.000 0.484 20 G N 3.620 112.415 108.800 -0.009 0.000 2.606 20 G HA2 0.403 4.363 3.960 0.001 0.000 0.252 20 G HA3 0.403 4.363 3.960 0.001 0.000 0.252 20 G C -0.378 174.495 174.900 -0.046 0.000 1.206 20 G CA -0.190 44.892 45.100 -0.029 0.000 0.861 20 G HN 0.611 nan 8.290 nan 0.000 0.561 21 Q N 0.189 119.952 119.800 -0.062 0.000 2.397 21 Q HA 0.298 4.638 4.340 0.001 0.000 0.260 21 Q C 1.060 176.991 176.000 -0.115 0.000 1.002 21 Q CA -0.656 55.100 55.803 -0.077 0.000 0.716 21 Q CB 0.930 29.634 28.738 -0.057 0.000 1.258 21 Q HN 0.311 nan 8.270 nan 0.000 0.477 22 I N 1.724 122.207 120.570 -0.145 0.000 2.163 22 I HA -0.168 4.003 4.170 0.001 0.000 0.243 22 I C 0.400 176.216 176.117 -0.502 0.000 1.085 22 I CA 1.360 62.480 61.300 -0.300 0.000 1.347 22 I CB -0.587 37.248 38.000 -0.275 0.000 1.044 22 I HN 0.575 nan 8.210 nan 0.000 0.408 23 H N 1.737 120.756 119.070 -0.086 0.000 2.609 23 H HA 0.255 4.811 4.556 0.001 0.000 0.344 23 H C -1.935 173.347 175.328 -0.078 0.000 1.040 23 H CA -1.833 54.163 56.048 -0.087 0.000 1.216 23 H CB 1.838 31.523 29.762 -0.127 0.000 1.529 23 H HN 0.005 nan 8.280 nan 0.000 0.519 24 P HA 0.184 nan 4.420 nan 0.000 0.237 24 P C -0.216 177.164 177.300 0.134 0.000 1.723 24 P CA 0.271 63.418 63.100 0.080 0.000 0.882 24 P CB -0.327 31.415 31.700 0.069 0.000 1.810 25 I N 0.282 120.900 120.570 0.079 0.000 2.509 25 I HA 0.361 4.531 4.170 0.001 0.000 0.293 25 I C -0.219 175.938 176.117 0.066 0.000 1.020 25 I CA -1.141 60.208 61.300 0.083 0.000 1.088 25 I CB 1.719 39.643 38.000 -0.126 0.000 1.267 25 I HN -0.180 nan 8.210 nan 0.000 0.430 26 F N 4.204 124.139 119.950 -0.024 0.000 2.361 26 F HA 0.535 5.062 4.527 0.000 0.000 0.364 26 F C 0.689 176.483 175.800 -0.010 0.000 1.117 26 F CA -0.608 57.384 58.000 -0.013 0.000 1.071 26 F CB 1.463 40.467 39.000 0.006 0.000 1.188 26 F HN 0.416 nan 8.300 nan 0.000 0.464 27 A N 2.852 125.700 122.820 0.046 0.000 2.401 27 A HA 0.252 4.573 4.320 0.001 0.000 0.259 27 A C 0.752 178.395 177.584 0.100 0.000 1.103 27 A CA -0.108 51.955 52.037 0.043 0.000 0.789 27 A CB 0.317 19.295 19.000 -0.036 0.000 1.035 27 A HN 0.831 nan 8.150 nan 0.000 0.491 28 D N 0.825 121.303 120.400 0.129 0.000 2.490 28 D HA 0.102 4.743 4.640 0.001 0.000 0.244 28 D C 0.744 177.097 176.300 0.088 0.000 0.979 28 D CA 0.930 54.999 54.000 0.114 0.000 0.924 28 D CB 0.242 41.114 40.800 0.119 0.000 1.075 28 D HN 0.736 nan 8.370 nan 0.000 0.488 29 R N -0.979 119.598 120.500 0.129 0.000 2.752 29 R HA 0.834 5.175 4.340 0.001 0.000 0.271 29 R C -1.650 174.774 176.300 0.208 0.000 1.026 29 R CA -1.121 55.044 56.100 0.107 0.000 0.901 29 R CB 1.448 31.766 30.300 0.029 0.000 1.243 29 R HN -0.016 nan 8.270 nan 0.000 0.463 30 A N 0.335 123.244 122.820 0.149 0.000 2.610 30 A HA 0.652 4.972 4.320 0.001 0.000 0.291 30 A C -1.703 175.995 177.584 0.190 0.000 1.086 30 A CA -0.689 51.412 52.037 0.107 0.000 0.677 30 A CB 2.333 20.993 19.000 -0.566 0.000 1.278 30 A HN 0.797 nan 8.150 nan 0.000 0.414 31 E N 0.996 121.335 120.200 0.231 0.000 2.367 31 E HA 0.372 4.723 4.350 0.001 0.000 0.292 31 E C 0.237 176.951 176.600 0.190 0.000 0.900 31 E CA 0.121 56.661 56.400 0.234 0.000 0.807 31 E CB 0.895 30.773 29.700 0.296 0.000 1.337 31 E HN 0.997 nan 8.360 nan 0.000 0.394 32 N N 2.024 120.844 118.700 0.199 0.000 2.255 32 N HA -0.344 4.396 4.740 0.001 0.000 0.167 32 N C 0.262 175.891 175.510 0.199 0.000 0.511 32 N CA 2.345 55.489 53.050 0.157 0.000 1.462 32 N CB -1.121 37.417 38.487 0.084 0.000 1.370 32 N HN 0.551 nan 8.380 nan 0.000 0.407 33 C N 1.847 121.223 119.300 0.128 0.000 2.974 33 C HA 0.372 4.832 4.460 0.001 0.000 0.282 33 C C 0.285 175.301 174.990 0.044 0.000 1.292 33 C CA -0.421 58.672 59.018 0.126 0.000 1.710 33 C CB -1.238 26.563 27.740 0.101 0.000 2.036 33 C HN 0.253 nan 8.230 nan 0.000 0.629 34 R N 0.580 121.054 120.500 -0.044 0.000 2.474 34 R HA 0.707 5.047 4.340 0.001 0.000 0.295 34 R C -1.172 174.873 176.300 -0.425 0.000 0.980 34 R CA -0.135 55.772 56.100 -0.321 0.000 0.934 34 R CB 1.670 31.683 30.300 -0.478 0.000 1.101 34 R HN 0.014 nan 8.270 nan 0.000 0.469 35 V N 2.413 122.008 119.914 -0.531 0.000 2.709 35 V HA 0.431 4.552 4.120 0.001 0.000 0.308 35 V C -0.809 175.124 176.094 -0.269 0.000 1.062 35 V CA -0.938 61.181 62.300 -0.300 0.000 0.901 35 V CB 2.260 33.965 31.823 -0.196 0.000 1.003 35 V HN 0.677 nan 8.190 nan 0.000 0.425 36 W N 2.720 124.054 121.300 0.056 0.000 2.587 36 W HA 0.442 5.103 4.660 0.001 0.000 0.324 36 W C -0.363 176.228 176.519 0.120 0.000 1.040 36 W CA -0.634 56.777 57.345 0.110 0.000 1.222 36 W CB 2.303 31.787 29.460 0.039 0.000 1.381 36 W HN 0.812 nan 8.180 nan 0.000 0.483 37 D N -0.801 119.835 120.400 0.393 0.000 2.451 37 D HA 0.157 4.797 4.640 0.001 0.000 0.259 37 D C 1.197 177.633 176.300 0.226 0.000 1.201 37 D CA -0.522 53.643 54.000 0.275 0.000 1.028 37 D CB 0.271 41.244 40.800 0.290 0.000 1.095 37 D HN 0.124 nan 8.370 nan 0.000 0.539 38 V N -2.796 117.225 119.914 0.177 0.000 2.867 38 V HA -0.130 3.990 4.120 0.001 0.000 0.260 38 V C 1.197 177.347 176.094 0.094 0.000 1.099 38 V CA 1.455 63.825 62.300 0.117 0.000 1.122 38 V CB -1.203 30.666 31.823 0.076 0.000 0.708 38 V HN 0.550 nan 8.190 nan 0.000 0.490 39 E N 0.717 120.987 120.200 0.117 0.000 2.463 39 E HA 0.365 4.716 4.350 0.001 0.000 0.193 39 E C 1.681 178.341 176.600 0.101 0.000 1.041 39 E CA 0.402 56.855 56.400 0.088 0.000 0.879 39 E CB 0.281 30.030 29.700 0.083 0.000 0.997 39 E HN 0.784 nan 8.360 nan 0.000 0.478 40 G N 2.576 111.465 108.800 0.148 0.000 2.184 40 G HA2 -0.373 3.587 3.960 0.001 0.000 0.264 40 G HA3 -0.373 3.587 3.960 0.001 0.000 0.264 40 G C 0.401 175.437 174.900 0.227 0.000 0.975 40 G CA 0.435 45.646 45.100 0.184 0.000 0.642 40 G HN 0.303 nan 8.290 nan 0.000 0.536 41 R N 0.946 121.535 120.500 0.148 0.000 2.594 41 R HA 0.487 4.827 4.340 0.001 0.000 0.272 41 R C 0.112 176.331 176.300 -0.136 0.000 1.074 41 R CA -0.047 56.031 56.100 -0.036 0.000 1.105 41 R CB 0.392 30.604 30.300 -0.147 0.000 1.008 41 R HN 0.415 nan 8.270 nan 0.000 0.472 42 E N 2.556 122.512 120.200 -0.408 0.000 2.191 42 E HA 0.249 4.599 4.350 0.001 0.000 0.274 42 E C -1.576 174.587 176.600 -0.728 0.000 0.948 42 E CA -0.688 55.325 56.400 -0.644 0.000 0.802 42 E CB 0.853 30.179 29.700 -0.624 0.000 1.137 42 E HN 0.463 nan 8.360 nan 0.000 0.397 43 Y N 1.687 121.717 120.300 -0.450 0.000 2.570 43 Y HA 0.405 4.955 4.550 0.000 0.000 0.345 43 Y C -0.672 175.047 175.900 -0.302 0.000 1.014 43 Y CA -1.127 56.788 58.100 -0.309 0.000 1.063 43 Y CB 1.277 39.589 38.460 -0.246 0.000 1.272 43 Y HN 0.406 nan 8.280 nan 0.000 0.477 44 L N 2.590 123.780 121.223 -0.055 0.000 2.265 44 L HA 0.428 4.769 4.340 0.001 0.000 0.289 44 L C -0.728 176.167 176.870 0.040 0.000 1.033 44 L CA -0.468 54.346 54.840 -0.044 0.000 0.814 44 L CB 0.594 42.588 42.059 -0.109 0.000 1.203 44 L HN 0.584 nan 8.230 nan 0.000 0.423 45 D N 4.059 124.533 120.400 0.125 0.000 2.393 45 D HA 0.102 4.742 4.640 0.001 0.000 0.232 45 D C 0.082 176.586 176.300 0.340 0.000 1.192 45 D CA 0.095 54.198 54.000 0.172 0.000 0.882 45 D CB 0.233 41.135 40.800 0.170 0.000 1.038 45 D HN 0.400 nan 8.370 nan 0.000 0.499 46 F N 1.980 121.919 119.950 -0.018 0.000 2.664 46 F HA 0.314 4.842 4.527 0.000 0.000 0.303 46 F C 1.681 177.479 175.800 -0.005 0.000 1.092 46 F CA -0.317 57.678 58.000 -0.007 0.000 1.305 46 F CB 0.190 39.184 39.000 -0.009 0.000 1.054 46 F HN 0.500 nan 8.300 nan 0.000 0.565 47 A N -0.865 122.038 122.820 0.137 0.000 2.167 47 A HA 0.450 4.770 4.320 0.001 0.000 0.208 47 A C 1.903 179.506 177.584 0.033 0.000 1.198 47 A CA 0.559 52.638 52.037 0.070 0.000 0.863 47 A CB -0.722 18.312 19.000 0.057 0.000 0.904 47 A HN 0.352 nan 8.150 nan 0.000 0.484 48 G N -0.265 108.550 108.800 0.025 0.000 2.390 48 G HA2 0.117 4.078 3.960 0.001 0.000 0.299 48 G HA3 0.117 4.078 3.960 0.001 0.000 0.299 48 G C 1.437 176.298 174.900 -0.066 0.000 1.002 48 G CA 0.845 45.919 45.100 -0.043 0.000 0.979 48 G HN 2.008 nan 8.290 nan 0.000 0.513 49 G N -0.531 108.249 108.800 -0.033 0.000 2.258 49 G HA2 -0.123 3.837 3.960 0.001 0.000 0.274 49 G HA3 -0.123 3.837 3.960 0.001 0.000 0.274 49 G C 0.757 175.643 174.900 -0.023 0.000 1.021 49 G CA 0.390 45.470 45.100 -0.034 0.000 0.798 49 G HN 2.132 nan 8.290 nan 0.000 0.507 50 I N -3.554 117.012 120.570 -0.006 0.000 6.382 50 I HA -0.159 4.011 4.170 0.001 0.000 0.126 50 I C 1.350 177.475 176.117 0.014 0.000 1.824 50 I CA 0.385 61.688 61.300 0.006 0.000 2.038 50 I CB -1.895 36.100 38.000 -0.009 0.000 3.480 50 I HN 2.136 nan 8.210 nan 0.000 0.169 51 A N 1.276 124.107 122.820 0.018 0.000 2.887 51 A HA -0.210 4.110 4.320 0.001 0.000 0.257 51 A C 1.013 178.600 177.584 0.006 0.000 1.372 51 A CA 1.282 53.330 52.037 0.018 0.000 0.879 51 A CB -1.782 17.238 19.000 0.034 0.000 1.082 51 A HN 0.828 nan 8.150 nan 0.000 0.703 52 V N -1.075 118.831 119.914 -0.013 0.000 3.307 52 V HA 0.136 4.256 4.120 0.001 0.000 0.253 52 V C 1.219 177.294 176.094 -0.030 0.000 1.149 52 V CA 1.633 63.924 62.300 -0.015 0.000 1.112 52 V CB 0.087 31.891 31.823 -0.032 0.000 0.777 52 V HN 0.577 nan 8.190 nan 0.000 0.464 53 L N 0.874 122.055 121.223 -0.071 0.000 2.959 53 L HA 0.377 4.718 4.340 0.001 0.000 0.236 53 L C 1.119 177.962 176.870 -0.044 0.000 1.296 53 L CA -0.223 54.561 54.840 -0.094 0.000 1.047 53 L CB -0.109 41.792 42.059 -0.263 0.000 1.395 53 L HN 0.102 nan 8.230 nan 0.000 0.492 54 N N 0.453 119.158 118.700 0.009 0.000 2.289 54 N HA -0.110 4.630 4.740 0.001 0.000 0.184 54 N C 1.659 177.143 175.510 -0.043 0.000 1.016 54 N CA 1.565 54.629 53.050 0.022 0.000 0.872 54 N CB 0.076 38.650 38.487 0.145 0.000 0.973 54 N HN 0.478 nan 8.380 nan 0.000 0.433 55 T N -2.545 111.993 114.554 -0.026 0.000 3.186 55 T HA 0.485 4.835 4.350 0.001 0.000 0.257 55 T C 0.832 175.576 174.700 0.072 0.000 1.029 55 T CA -0.035 62.034 62.100 -0.052 0.000 0.916 55 T CB -0.085 68.726 68.868 -0.095 0.000 1.041 55 T HN 0.297 nan 8.240 nan 0.000 0.562 56 G N 1.345 110.159 108.800 0.024 0.000 2.814 56 G HA2 -0.180 3.780 3.960 0.001 0.000 0.677 56 G HA3 -0.180 3.780 3.960 0.001 0.000 0.677 56 G C -0.755 174.179 174.900 0.056 0.000 1.429 56 G CA -0.942 44.184 45.100 0.045 0.000 0.868 56 G HN 0.601 nan 8.290 nan 0.000 0.553 57 H N 0.492 119.605 119.070 0.072 0.000 2.929 57 H HA 0.216 4.772 4.556 0.000 0.000 0.317 57 H C 1.541 176.931 175.328 0.102 0.000 1.031 57 H CA 0.957 57.051 56.048 0.075 0.000 1.466 57 H CB 0.324 30.128 29.762 0.071 0.000 1.482 57 H HN 0.702 nan 8.280 nan 0.000 0.561 58 L N 3.235 124.600 121.223 0.238 0.000 3.879 58 L HA -0.260 4.081 4.340 0.001 0.000 0.481 58 L C 0.743 177.729 176.870 0.193 0.000 1.232 58 L CA 0.334 55.308 54.840 0.225 0.000 0.736 58 L CB -1.432 40.736 42.059 0.181 0.000 1.511 58 L HN 0.692 nan 8.230 nan 0.000 0.830 59 H N 3.769 122.912 119.070 0.122 0.000 3.107 59 H HA 0.033 4.589 4.556 0.000 0.000 0.301 59 H C -1.181 174.188 175.328 0.069 0.000 0.981 59 H CA -0.807 55.286 56.048 0.075 0.000 1.443 59 H CB 1.254 31.044 29.762 0.046 0.000 1.479 59 H HN 0.170 nan 8.280 nan 0.000 0.564 60 P HA -0.236 nan 4.420 nan 0.000 0.216 60 P C 1.215 178.602 177.300 0.144 0.000 1.154 60 P CA 1.369 64.487 63.100 0.029 0.000 0.865 60 P CB 0.443 32.102 31.700 -0.069 0.000 0.789 61 K N -0.366 120.221 120.400 0.311 0.000 2.097 61 K HA -0.036 4.285 4.320 0.001 0.000 0.206 61 K C 2.237 178.914 176.600 0.128 0.000 1.049 61 K CA 0.790 57.203 56.287 0.210 0.000 0.933 61 K CB -1.200 31.426 32.500 0.211 0.000 0.717 61 K HN 0.139 nan 8.250 nan 0.000 0.442 62 V N 1.009 121.026 119.914 0.172 0.000 2.307 62 V HA -0.180 3.940 4.120 0.001 0.000 0.245 62 V C 2.523 178.626 176.094 0.015 0.000 1.045 62 V CA 1.253 63.584 62.300 0.052 0.000 1.024 62 V CB -0.457 31.424 31.823 0.097 0.000 0.651 62 V HN -0.055 nan 8.190 nan 0.000 0.449 63 V N 0.538 120.511 119.914 0.097 0.000 2.287 63 V HA -0.295 3.825 4.120 0.001 0.000 0.248 63 V C 2.759 178.872 176.094 0.031 0.000 1.053 63 V CA 2.142 64.492 62.300 0.082 0.000 1.027 63 V CB -1.212 30.683 31.823 0.119 0.000 0.646 63 V HN 0.563 nan 8.190 nan 0.000 0.447 64 A N -0.117 122.726 122.820 0.038 0.000 1.940 64 A HA -0.161 4.159 4.320 0.001 0.000 0.219 64 A C 2.418 180.000 177.584 -0.003 0.000 1.176 64 A CA 2.268 54.318 52.037 0.021 0.000 0.631 64 A CB -0.759 18.258 19.000 0.029 0.000 0.814 64 A HN 0.593 nan 8.150 nan 0.000 0.446 65 A N -0.685 122.123 122.820 -0.020 0.000 1.873 65 A HA 0.025 4.345 4.320 0.001 0.000 0.215 65 A C 2.235 179.772 177.584 -0.078 0.000 1.186 65 A CA 1.690 53.700 52.037 -0.045 0.000 0.616 65 A CB -0.978 17.987 19.000 -0.059 0.000 0.823 65 A HN 0.385 nan 8.150 nan 0.000 0.442 66 V N 0.415 120.250 119.914 -0.132 0.000 2.287 66 V HA -0.306 3.814 4.120 0.001 0.000 0.248 66 V C 2.442 178.497 176.094 -0.065 0.000 1.053 66 V CA 2.406 64.604 62.300 -0.171 0.000 1.027 66 V CB -0.904 30.752 31.823 -0.277 0.000 0.646 66 V HN 0.650 nan 8.190 nan 0.000 0.447 67 E N 0.187 120.372 120.200 -0.026 0.000 2.085 67 E HA -0.220 4.131 4.350 0.001 0.000 0.194 67 E C 2.316 178.913 176.600 -0.005 0.000 0.994 67 E CA 1.338 57.738 56.400 -0.001 0.000 0.801 67 E CB -0.344 29.364 29.700 0.013 0.000 0.743 67 E HN 0.621 nan 8.360 nan 0.000 0.453 68 A N 1.176 123.990 122.820 -0.010 0.000 1.902 68 A HA -0.248 4.072 4.320 0.001 0.000 0.217 68 A C 2.150 179.729 177.584 -0.008 0.000 1.181 68 A CA 1.655 53.689 52.037 -0.005 0.000 0.623 68 A CB -0.386 18.611 19.000 -0.004 0.000 0.818 68 A HN 0.114 nan 8.150 nan 0.000 0.443 69 Q N -0.734 119.054 119.800 -0.020 0.000 2.172 69 Q HA -0.050 4.290 4.340 0.001 0.000 0.200 69 Q C 1.731 177.721 176.000 -0.017 0.000 0.964 69 Q CA 1.268 57.058 55.803 -0.021 0.000 0.855 69 Q CB -0.505 28.210 28.738 -0.038 0.000 0.918 69 Q HN 0.472 nan 8.270 nan 0.000 0.444 70 L N 0.357 121.573 121.223 -0.013 0.000 2.349 70 L HA -0.109 4.231 4.340 0.001 0.000 0.220 70 L C 1.284 178.157 176.870 0.005 0.000 1.130 70 L CA 1.746 56.586 54.840 0.000 0.000 0.791 70 L CB -0.153 41.912 42.059 0.011 0.000 0.918 70 L HN 0.122 nan 8.230 nan 0.000 0.444 71 K N -1.278 119.124 120.400 0.003 0.000 2.361 71 K HA -0.007 4.314 4.320 0.001 0.000 0.196 71 K C 1.722 178.325 176.600 0.005 0.000 1.039 71 K CA 0.517 56.808 56.287 0.006 0.000 1.001 71 K CB 0.257 32.761 32.500 0.007 0.000 0.795 71 K HN 0.351 nan 8.250 nan 0.000 0.495 72 K N 0.350 120.751 120.400 0.001 0.000 2.108 72 K HA 0.113 4.433 4.320 0.001 0.000 0.204 72 K C 0.210 176.807 176.600 -0.005 0.000 1.036 72 K CA 0.598 56.885 56.287 0.000 0.000 0.965 72 K CB 0.169 32.669 32.500 0.001 0.000 0.804 72 K HN -0.032 nan 8.250 nan 0.000 0.454 73 L N -3.552 117.659 121.223 -0.018 0.000 2.845 73 L HA 0.253 4.593 4.340 0.001 0.000 0.256 73 L C 0.006 176.850 176.870 -0.044 0.000 0.968 73 L CA -0.634 54.190 54.840 -0.027 0.000 0.944 73 L CB 1.534 43.567 42.059 -0.043 0.000 1.494 73 L HN 0.019 nan 8.230 nan 0.000 0.419 74 S N -1.267 114.426 115.700 -0.012 0.000 2.524 74 S HA 0.420 4.891 4.470 0.001 0.000 0.222 74 S C 0.146 174.781 174.600 0.060 0.000 1.040 74 S CA 0.849 59.055 58.200 0.009 0.000 0.915 74 S CB -0.355 62.871 63.200 0.043 0.000 0.831 74 S HN 1.228 nan 8.310 nan 0.000 0.492 75 H N -0.162 118.874 119.070 -0.056 0.000 3.140 75 H HA 0.460 5.016 4.556 0.000 0.000 0.336 75 H C 0.002 175.342 175.328 0.021 0.000 1.142 75 H CA 0.334 56.377 56.048 -0.008 0.000 1.308 75 H CB 1.475 31.296 29.762 0.099 0.000 1.970 75 H HN 0.075 nan 8.280 nan 0.000 0.521 76 T N 0.644 114.823 114.554 -0.624 0.000 3.028 76 T HA 0.129 4.479 4.350 0.001 0.000 0.262 76 T C 0.278 174.742 174.700 -0.392 0.000 0.916 76 T CA 0.406 62.313 62.100 -0.321 0.000 0.873 76 T CB -0.584 68.258 68.868 -0.044 0.000 1.232 76 T HN 1.180 nan 8.240 nan 0.000 0.529 77 C N 1.754 120.716 119.300 -0.563 0.000 2.173 77 C HA -0.172 4.288 4.460 0.001 0.000 0.274 77 C C 1.062 176.128 174.990 0.127 0.000 0.739 77 C CA -0.534 58.439 59.018 -0.074 0.000 2.963 77 C CB -2.727 25.036 27.740 0.037 0.000 1.685 77 C HN 0.644 nan 8.230 nan 0.000 0.340 78 F N 3.777 123.785 119.950 0.096 0.000 2.085 78 F HA -0.241 4.286 4.527 0.001 0.000 0.299 78 F C 2.285 177.943 175.800 -0.236 0.000 1.096 78 F CA 2.653 60.512 58.000 -0.234 0.000 1.227 78 F CB -0.078 38.575 39.000 -0.577 0.000 0.983 78 F HN 0.870 nan 8.300 nan 0.000 0.482 79 Q N -0.793 119.018 119.800 0.018 0.000 2.439 79 Q HA -0.108 4.232 4.340 0.001 0.000 0.211 79 Q C 1.739 177.663 176.000 -0.127 0.000 0.978 79 Q CA 1.605 57.372 55.803 -0.059 0.000 0.897 79 Q CB -0.595 28.174 28.738 0.050 0.000 0.956 79 Q HN 0.449 nan 8.270 nan 0.000 0.483 80 V N 0.028 119.870 119.914 -0.120 0.000 2.599 80 V HA 0.128 4.248 4.120 0.001 0.000 0.237 80 V C 0.418 176.422 176.094 -0.149 0.000 1.081 80 V CA 0.503 62.744 62.300 -0.098 0.000 1.107 80 V CB 0.435 32.235 31.823 -0.040 0.000 0.808 80 V HN 0.258 nan 8.190 nan 0.000 0.486 81 L N 0.220 121.343 121.223 -0.167 0.000 2.441 81 L HA 0.782 5.123 4.340 0.001 0.000 0.270 81 L C -0.096 176.619 176.870 -0.259 0.000 0.973 81 L CA -0.093 54.646 54.840 -0.168 0.000 0.842 81 L CB 1.271 43.293 42.059 -0.061 0.000 1.239 81 L HN 0.164 nan 8.230 nan 0.000 0.406 82 A N 3.587 126.111 122.820 -0.493 0.000 2.249 82 A HA 0.776 5.096 4.320 0.001 0.000 0.281 82 A C -1.345 176.102 177.584 -0.228 0.000 1.127 82 A CA 0.040 51.565 52.037 -0.854 0.000 0.833 82 A CB 0.471 18.744 19.000 -1.212 0.000 1.140 82 A HN 0.758 nan 8.150 nan 0.000 0.502 83 Y N -3.868 116.447 120.300 0.024 0.000 2.558 83 Y HA 0.516 5.066 4.550 0.000 0.000 0.333 83 Y C 0.377 176.415 175.900 0.230 0.000 1.125 83 Y CA -0.832 57.342 58.100 0.122 0.000 1.039 83 Y CB 0.791 39.330 38.460 0.132 0.000 1.331 83 Y HN 0.704 nan 8.280 nan 0.000 0.456 84 E N 1.138 121.507 120.200 0.282 0.000 2.085 84 E HA -0.122 4.228 4.350 0.001 0.000 0.194 84 E C -1.015 175.732 176.600 0.245 0.000 0.994 84 E CA 1.944 58.474 56.400 0.217 0.000 0.801 84 E CB -0.906 28.882 29.700 0.146 0.000 0.743 84 E HN 0.638 nan 8.360 nan 0.000 0.453 85 P HA -0.202 nan 4.420 nan 0.000 0.216 85 P C 0.913 178.360 177.300 0.245 0.000 1.150 85 P CA 1.194 64.439 63.100 0.242 0.000 0.843 85 P CB -0.129 31.718 31.700 0.245 0.000 0.787 86 Y N 0.067 120.462 120.300 0.159 0.000 2.109 86 Y HA -0.206 4.345 4.550 0.001 0.000 0.285 86 Y C 2.192 178.019 175.900 -0.121 0.000 1.131 86 Y CA 0.847 58.902 58.100 -0.075 0.000 1.121 86 Y CB -0.811 37.373 38.460 -0.460 0.000 0.987 86 Y HN -0.206 nan 8.280 nan 0.000 0.495 87 L N 1.179 122.592 121.223 0.317 0.000 1.989 87 L HA -0.247 4.093 4.340 0.001 0.000 0.211 87 L C 2.268 179.215 176.870 0.128 0.000 1.071 87 L CA 2.523 57.496 54.840 0.222 0.000 0.749 87 L CB -1.173 41.003 42.059 0.195 0.000 0.890 87 L HN 0.453 nan 8.230 nan 0.000 0.431 88 E N -0.904 119.363 120.200 0.110 0.000 2.085 88 E HA -0.276 4.074 4.350 0.001 0.000 0.194 88 E C 2.206 178.824 176.600 0.031 0.000 0.994 88 E CA 1.576 58.015 56.400 0.065 0.000 0.801 88 E CB -0.259 29.479 29.700 0.063 0.000 0.743 88 E HN 0.484 nan 8.360 nan 0.000 0.453 89 L N 0.511 121.745 121.223 0.018 0.000 2.093 89 L HA -0.152 4.188 4.340 0.001 0.000 0.208 89 L C 2.263 179.112 176.870 -0.035 0.000 1.085 89 L CA 1.545 56.369 54.840 -0.027 0.000 0.755 89 L CB -0.610 41.418 42.059 -0.051 0.000 0.904 89 L HN 0.289 nan 8.230 nan 0.000 0.435 90 C N -0.113 119.175 119.300 -0.020 0.000 2.432 90 C HA -0.148 4.312 4.460 0.001 0.000 0.277 90 C C 2.549 177.545 174.990 0.010 0.000 1.249 90 C CA 0.986 60.006 59.018 0.004 0.000 1.725 90 C CB -0.955 26.810 27.740 0.042 0.000 2.028 90 C HN 0.591 nan 8.230 nan 0.000 0.477 91 E N 0.664 120.876 120.200 0.020 0.000 2.058 91 E HA -0.200 4.150 4.350 0.001 0.000 0.194 91 E C 1.939 178.532 176.600 -0.011 0.000 0.997 91 E CA 1.322 57.729 56.400 0.012 0.000 0.801 91 E CB -0.214 29.500 29.700 0.022 0.000 0.746 91 E HN 0.653 nan 8.360 nan 0.000 0.450 92 I N 0.610 121.167 120.570 -0.022 0.000 2.252 92 I HA -0.256 3.915 4.170 0.001 0.000 0.245 92 I C 2.326 178.405 176.117 -0.064 0.000 1.102 92 I CA 0.698 61.974 61.300 -0.041 0.000 1.385 92 I CB -0.150 37.822 38.000 -0.047 0.000 1.064 92 I HN 0.175 nan 8.210 nan 0.000 0.414 93 M N 0.080 119.631 119.600 -0.081 0.000 2.229 93 M HA -0.174 4.306 4.480 0.001 0.000 0.264 93 M C 1.852 178.102 176.300 -0.083 0.000 1.063 93 M CA 1.663 56.893 55.300 -0.117 0.000 1.114 93 M CB -1.752 30.752 32.600 -0.160 0.000 1.387 93 M HN 0.317 nan 8.290 nan 0.000 0.420 94 N N -0.300 118.371 118.700 -0.047 0.000 2.205 94 N HA -0.193 4.547 4.740 0.001 0.000 0.186 94 N C 1.743 177.209 175.510 -0.074 0.000 1.015 94 N CA 0.864 53.889 53.050 -0.043 0.000 0.862 94 N CB 0.054 38.534 38.487 -0.012 0.000 0.986 94 N HN 0.367 nan 8.380 nan 0.000 0.429 95 Q N 0.596 120.357 119.800 -0.066 0.000 2.165 95 Q HA 0.063 4.403 4.340 0.001 0.000 0.197 95 Q C 1.735 177.688 176.000 -0.078 0.000 0.952 95 Q CA 0.870 56.630 55.803 -0.071 0.000 0.848 95 Q CB 0.110 28.818 28.738 -0.050 0.000 0.931 95 Q HN 0.243 nan 8.270 nan 0.000 0.470 96 K N 0.404 120.766 120.400 -0.064 0.000 2.103 96 K HA 0.051 4.371 4.320 0.001 0.000 0.204 96 K C 0.737 177.332 176.600 -0.009 0.000 1.052 96 K CA 0.182 56.453 56.287 -0.026 0.000 0.945 96 K CB -0.259 32.237 32.500 -0.007 0.000 0.722 96 K HN 0.034 nan 8.250 nan 0.000 0.443 97 V N 5.353 125.190 119.914 -0.128 0.000 2.585 97 V HA 0.018 4.138 4.120 0.001 0.000 0.296 97 V C -2.055 173.900 176.094 -0.232 0.000 1.035 97 V CA -1.316 60.792 62.300 -0.320 0.000 1.084 97 V CB 0.526 32.098 31.823 -0.418 0.000 0.953 97 V HN 0.159 nan 8.190 nan 0.000 0.483 98 P HA 0.268 nan 4.420 nan 0.000 0.265 98 P C 0.105 177.250 177.300 -0.259 0.000 1.193 98 P CA 0.464 63.467 63.100 -0.161 0.000 0.765 98 P CB 0.752 32.408 31.700 -0.074 0.000 0.823 99 G N 2.017 110.594 108.800 -0.371 0.000 2.362 99 G HA2 -0.009 3.951 3.960 0.001 0.000 0.189 99 G HA3 -0.009 3.951 3.960 0.001 0.000 0.189 99 G C -0.841 173.457 174.900 -1.003 0.000 1.374 99 G CA -0.747 43.867 45.100 -0.809 0.000 1.140 99 G HN 0.540 nan 8.290 nan 0.000 0.611 100 D N 1.603 121.676 120.400 -0.544 0.000 2.767 100 D HA 0.494 5.135 4.640 0.001 0.000 0.231 100 D C 0.269 176.482 176.300 -0.145 0.000 1.105 100 D CA 0.326 54.162 54.000 -0.273 0.000 1.024 100 D CB -0.820 39.939 40.800 -0.067 0.000 1.123 100 D HN 0.628 nan 8.370 nan 0.000 0.470 101 F N -1.256 118.685 119.950 -0.014 0.000 2.770 101 F HA 0.599 5.126 4.527 0.000 0.000 0.313 101 F C -0.800 174.992 175.800 -0.013 0.000 1.154 101 F CA -1.988 56.005 58.000 -0.013 0.000 0.923 101 F CB 0.054 39.046 39.000 -0.013 0.000 1.301 101 F HN -0.067 nan 8.300 nan 0.000 0.449 102 A N 1.890 124.870 122.820 0.267 0.000 2.540 102 A HA 0.544 4.865 4.320 0.001 0.000 0.239 102 A C -0.277 177.447 177.584 0.232 0.000 1.061 102 A CA -0.024 52.112 52.037 0.165 0.000 0.758 102 A CB -0.042 19.027 19.000 0.115 0.000 0.991 102 A HN 0.708 nan 8.150 nan 0.000 0.502 103 K N 1.337 121.807 120.400 0.117 0.000 2.480 103 K HA 0.593 4.913 4.320 0.001 0.000 0.258 103 K C -1.099 175.542 176.600 0.068 0.000 0.990 103 K CA -0.829 55.527 56.287 0.116 0.000 0.857 103 K CB 2.541 35.080 32.500 0.065 0.000 1.384 103 K HN 0.701 nan 8.250 nan 0.000 0.446 104 K N 0.587 121.027 120.400 0.067 0.000 2.435 104 K HA 0.494 4.814 4.320 0.001 0.000 0.251 104 K C -1.163 175.471 176.600 0.057 0.000 0.954 104 K CA -0.736 55.585 56.287 0.056 0.000 0.820 104 K CB 2.480 35.012 32.500 0.053 0.000 1.292 104 K HN 0.450 nan 8.250 nan 0.000 0.436 105 T N 1.550 116.140 114.554 0.060 0.000 2.893 105 T HA 0.485 4.836 4.350 0.001 0.000 0.291 105 T C -1.572 173.160 174.700 0.055 0.000 1.028 105 T CA -0.670 61.471 62.100 0.068 0.000 0.995 105 T CB 1.256 70.177 68.868 0.089 0.000 1.051 105 T HN 0.357 nan 8.240 nan 0.000 0.470 106 L N 3.371 124.607 121.223 0.022 0.000 2.365 106 L HA 0.726 5.067 4.340 0.001 0.000 0.273 106 L C -1.732 175.076 176.870 -0.103 0.000 1.000 106 L CA -0.608 54.233 54.840 0.002 0.000 0.819 106 L CB 1.140 43.199 42.059 -0.000 0.000 1.284 106 L HN 0.583 nan 8.230 nan 0.000 0.418 107 L N 5.961 127.082 121.223 -0.171 0.000 2.322 107 L HA 0.756 5.097 4.340 0.001 0.000 0.281 107 L C 0.084 176.887 176.870 -0.112 0.000 1.014 107 L CA -0.808 53.857 54.840 -0.292 0.000 0.815 107 L CB 1.650 43.264 42.059 -0.743 0.000 1.247 107 L HN 0.677 nan 8.230 nan 0.000 0.421 108 V N -0.323 119.530 119.914 -0.102 0.000 4.114 108 V HA 0.579 4.699 4.120 0.001 0.000 0.293 108 V C 0.380 176.486 176.094 0.019 0.000 1.371 108 V CA -0.159 62.135 62.300 -0.011 0.000 0.929 108 V CB 1.491 33.294 31.823 -0.033 0.000 1.281 108 V HN 0.708 nan 8.190 nan 0.000 0.468 109 T N 0.508 115.094 114.554 0.052 0.000 3.019 109 T HA 0.267 4.618 4.350 0.001 0.000 0.247 109 T C 0.644 175.375 174.700 0.051 0.000 0.992 109 T CA 0.933 63.082 62.100 0.082 0.000 1.036 109 T CB 0.117 69.079 68.868 0.156 0.000 1.063 109 T HN 1.093 nan 8.240 nan 0.000 0.476 110 T N -1.008 113.567 114.554 0.036 0.000 2.924 110 T HA 0.624 4.974 4.350 0.001 0.000 0.291 110 T C 1.548 176.250 174.700 0.003 0.000 1.045 110 T CA -0.101 62.017 62.100 0.029 0.000 1.015 110 T CB 1.709 70.602 68.868 0.042 0.000 1.103 110 T HN 0.035 nan 8.240 nan 0.000 0.496 111 G N 0.988 109.798 108.800 0.017 0.000 2.469 111 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 111 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 111 G C 1.568 176.473 174.900 0.008 0.000 1.136 111 G CA 1.025 46.133 45.100 0.015 0.000 0.759 111 G HN 0.714 nan 8.290 nan 0.000 0.562 112 S N 0.446 116.152 115.700 0.011 0.000 2.356 112 S HA -0.098 4.372 4.470 0.001 0.000 0.223 112 S C 2.174 176.775 174.600 0.002 0.000 1.032 112 S CA 1.436 59.636 58.200 -0.000 0.000 1.005 112 S CB -0.247 62.952 63.200 -0.001 0.000 0.867 112 S HN 0.603 nan 8.310 nan 0.000 0.449 113 E N 1.123 121.324 120.200 0.001 0.000 2.153 113 E HA -0.102 4.248 4.350 0.001 0.000 0.194 113 E C 2.333 178.912 176.600 -0.036 0.000 0.988 113 E CA 0.881 57.277 56.400 -0.007 0.000 0.811 113 E CB -0.242 29.460 29.700 0.005 0.000 0.746 113 E HN 0.506 nan 8.360 nan 0.000 0.466 114 A N 1.046 123.830 122.820 -0.060 0.000 1.858 114 A HA -0.167 4.153 4.320 0.001 0.000 0.216 114 A C 2.534 180.078 177.584 -0.067 0.000 1.190 114 A CA 1.399 53.371 52.037 -0.107 0.000 0.617 114 A CB -0.779 18.124 19.000 -0.161 0.000 0.827 114 A HN 0.120 nan 8.150 nan 0.000 0.443 115 V N 0.361 120.257 119.914 -0.030 0.000 2.343 115 V HA -0.243 3.877 4.120 0.001 0.000 0.247 115 V C 2.529 178.613 176.094 -0.016 0.000 1.051 115 V CA 2.106 64.397 62.300 -0.015 0.000 1.036 115 V CB -0.864 30.965 31.823 0.010 0.000 0.654 115 V HN 0.536 nan 8.190 nan 0.000 0.451 116 E N 0.452 120.647 120.200 -0.008 0.000 2.070 116 E HA -0.238 4.112 4.350 0.001 0.000 0.197 116 E C 2.125 178.680 176.600 -0.074 0.000 1.004 116 E CA 1.519 57.900 56.400 -0.033 0.000 0.805 116 E CB -0.431 29.258 29.700 -0.017 0.000 0.744 116 E HN 0.640 nan 8.360 nan 0.000 0.451 117 N N 0.396 119.061 118.700 -0.058 0.000 2.216 117 N HA -0.089 4.652 4.740 0.001 0.000 0.183 117 N C 1.875 177.350 175.510 -0.057 0.000 1.017 117 N CA 1.016 54.031 53.050 -0.059 0.000 0.861 117 N CB -0.091 38.365 38.487 -0.051 0.000 0.986 117 N HN 0.086 nan 8.380 nan 0.000 0.428 118 A N 1.134 123.922 122.820 -0.054 0.000 1.883 118 A HA -0.104 4.216 4.320 0.001 0.000 0.217 118 A C 2.544 180.104 177.584 -0.039 0.000 1.186 118 A CA 1.337 53.349 52.037 -0.041 0.000 0.624 118 A CB -0.808 18.172 19.000 -0.033 0.000 0.822 118 A HN 0.098 nan 8.150 nan 0.000 0.444 119 V N 0.127 120.009 119.914 -0.052 0.000 2.307 119 V HA -0.264 3.856 4.120 0.001 0.000 0.245 119 V C 2.458 178.495 176.094 -0.096 0.000 1.045 119 V CA 2.299 64.560 62.300 -0.065 0.000 1.024 119 V CB -0.670 31.098 31.823 -0.092 0.000 0.651 119 V HN 0.539 nan 8.190 nan 0.000 0.449 120 K N -0.202 120.126 120.400 -0.120 0.000 2.063 120 K HA -0.159 4.161 4.320 0.001 0.000 0.208 120 K C 2.060 178.623 176.600 -0.062 0.000 1.048 120 K CA 1.747 57.971 56.287 -0.106 0.000 0.928 120 K CB -0.363 32.080 32.500 -0.095 0.000 0.713 120 K HN 0.397 nan 8.250 nan 0.000 0.442 121 I N 0.958 121.500 120.570 -0.047 0.000 2.179 121 I HA -0.287 3.883 4.170 0.001 0.000 0.242 121 I C 2.538 178.641 176.117 -0.024 0.000 1.088 121 I CA 1.159 62.442 61.300 -0.030 0.000 1.357 121 I CB -0.409 37.578 38.000 -0.022 0.000 1.051 121 I HN 0.160 nan 8.210 nan 0.000 0.409 122 A N 0.813 123.620 122.820 -0.023 0.000 1.933 122 A HA -0.204 4.116 4.320 0.001 0.000 0.218 122 A C 2.383 179.959 177.584 -0.012 0.000 1.175 122 A CA 1.491 53.521 52.037 -0.012 0.000 0.628 122 A CB -0.545 18.455 19.000 -0.000 0.000 0.814 122 A HN 0.333 nan 8.150 nan 0.000 0.444 123 R N -0.625 119.862 120.500 -0.022 0.000 2.075 123 R HA -0.028 4.312 4.340 0.001 0.000 0.232 123 R C 2.463 178.752 176.300 -0.019 0.000 1.126 123 R CA 1.150 57.239 56.100 -0.019 0.000 0.963 123 R CB -0.430 29.848 30.300 -0.035 0.000 0.858 123 R HN 0.500 nan 8.270 nan 0.000 0.435 124 A N 1.183 123.989 122.820 -0.024 0.000 1.930 124 A HA -0.048 4.272 4.320 0.001 0.000 0.217 124 A C 2.313 179.887 177.584 -0.017 0.000 1.175 124 A CA 1.533 53.558 52.037 -0.020 0.000 0.627 124 A CB -0.457 18.531 19.000 -0.021 0.000 0.815 124 A HN 0.382 nan 8.150 nan 0.000 0.443 125 A N -0.567 122.243 122.820 -0.017 0.000 1.968 125 A HA -0.008 4.312 4.320 0.001 0.000 0.217 125 A C 2.264 179.838 177.584 -0.017 0.000 1.169 125 A CA 2.237 54.263 52.037 -0.018 0.000 0.638 125 A CB -0.770 18.219 19.000 -0.019 0.000 0.812 125 A HN 0.756 nan 8.150 nan 0.000 0.446 126 T N -5.740 108.807 114.554 -0.013 0.000 3.001 126 T HA 0.191 4.541 4.350 0.001 0.000 0.251 126 T C 0.471 175.164 174.700 -0.011 0.000 1.040 126 T CA 0.486 62.580 62.100 -0.011 0.000 0.985 126 T CB 0.169 69.035 68.868 -0.003 0.000 1.011 126 T HN 0.246 nan 8.240 nan 0.000 0.509 127 K N 1.097 121.491 120.400 -0.010 0.000 3.167 127 K HA -0.113 4.207 4.320 0.001 0.000 0.272 127 K C -0.434 176.162 176.600 -0.007 0.000 1.137 127 K CA 0.537 56.819 56.287 -0.010 0.000 0.800 127 K CB -1.819 30.674 32.500 -0.012 0.000 1.253 127 K HN 0.636 nan 8.250 nan 0.000 0.497 128 R N -1.181 119.319 120.500 -0.001 0.000 2.837 128 R HA 0.475 4.815 4.340 0.001 0.000 0.271 128 R C 0.721 177.032 176.300 0.019 0.000 0.993 128 R CA -0.699 55.404 56.100 0.005 0.000 0.931 128 R CB 1.409 31.713 30.300 0.008 0.000 1.206 128 R HN -0.067 nan 8.270 nan 0.000 0.474 129 S N -0.453 115.266 115.700 0.032 0.000 2.524 129 S HA 0.143 4.613 4.470 0.001 0.000 0.222 129 S C 0.678 175.354 174.600 0.128 0.000 1.040 129 S CA -0.060 58.180 58.200 0.066 0.000 0.915 129 S CB 0.951 64.195 63.200 0.075 0.000 0.831 129 S HN 0.732 nan 8.310 nan 0.000 0.492 130 G N 1.853 110.730 108.800 0.129 0.000 2.476 130 G HA2 0.524 4.485 3.960 0.001 0.000 0.286 130 G HA3 0.524 4.485 3.960 0.001 0.000 0.286 130 G C -0.331 174.701 174.900 0.221 0.000 1.177 130 G CA -0.191 45.050 45.100 0.234 0.000 0.870 130 G HN 0.299 nan 8.290 nan 0.000 0.528 131 T N -2.176 112.542 114.554 0.272 0.000 2.883 131 T HA 0.681 5.031 4.350 0.001 0.000 0.301 131 T C -0.701 174.105 174.700 0.176 0.000 1.158 131 T CA -0.746 61.470 62.100 0.193 0.000 1.007 131 T CB 1.702 70.685 68.868 0.191 0.000 1.186 131 T HN 0.391 nan 8.240 nan 0.000 0.499 132 I N 1.294 121.912 120.570 0.079 0.000 2.465 132 I HA 0.718 4.888 4.170 0.001 0.000 0.291 132 I C 0.034 176.102 176.117 -0.082 0.000 1.014 132 I CA -1.035 60.251 61.300 -0.023 0.000 1.093 132 I CB 1.790 39.714 38.000 -0.127 0.000 1.267 132 I HN 1.067 nan 8.210 nan 0.000 0.431 133 A N 5.415 128.160 122.820 -0.125 0.000 2.485 133 A HA 0.894 5.214 4.320 0.001 0.000 0.292 133 A C -1.343 176.159 177.584 -0.138 0.000 1.147 133 A CA -0.421 51.621 52.037 0.008 0.000 0.750 133 A CB 1.160 20.222 19.000 0.104 0.000 1.331 133 A HN 0.471 nan 8.150 nan 0.000 0.419 134 F N 0.529 120.607 119.950 0.213 0.000 2.450 134 F HA 0.508 5.035 4.527 0.000 0.000 0.328 134 F C 1.374 177.255 175.800 0.134 0.000 1.068 134 F CA -0.134 57.988 58.000 0.204 0.000 1.007 134 F CB 1.522 40.743 39.000 0.369 0.000 1.251 134 F HN 0.577 nan 8.300 nan 0.000 0.492 135 S N 0.064 115.946 115.700 0.303 0.000 2.549 135 S HA 0.399 4.870 4.470 0.001 0.000 0.286 135 S C 1.016 175.684 174.600 0.114 0.000 1.314 135 S CA -0.105 58.188 58.200 0.155 0.000 1.062 135 S CB 0.553 63.829 63.200 0.125 0.000 0.865 135 S HN 1.531 nan 8.310 nan 0.000 0.498 136 G N 1.260 110.079 108.800 0.032 0.000 2.184 136 G HA2 -0.114 3.847 3.960 0.001 0.000 0.264 136 G HA3 -0.114 3.847 3.960 0.001 0.000 0.264 136 G C 0.404 175.293 174.900 -0.018 0.000 0.975 136 G CA 0.185 45.271 45.100 -0.024 0.000 0.642 136 G HN 1.642 nan 8.290 nan 0.000 0.536 137 A N -0.686 122.147 122.820 0.023 0.000 2.406 137 A HA 0.631 4.951 4.320 0.001 0.000 0.243 137 A C -0.321 177.211 177.584 -0.086 0.000 1.082 137 A CA 0.558 52.560 52.037 -0.059 0.000 0.786 137 A CB 0.586 19.630 19.000 0.074 0.000 1.029 137 A HN 1.536 nan 8.150 nan 0.000 0.495 138 Y N 0.354 120.389 120.300 -0.441 0.000 2.361 138 Y HA 0.483 5.034 4.550 0.000 0.000 0.328 138 Y C 0.029 175.606 175.900 -0.539 0.000 1.044 138 Y CA -0.550 57.344 58.100 -0.342 0.000 1.085 138 Y CB 1.431 39.778 38.460 -0.188 0.000 1.194 138 Y HN 0.772 nan 8.280 nan 0.000 0.438 139 H N 3.574 122.268 119.070 -0.627 0.000 3.398 139 H HA 0.486 5.043 4.556 0.000 0.000 0.260 139 H C 0.483 175.531 175.328 -0.466 0.000 1.189 139 H CA 0.390 56.213 56.048 -0.375 0.000 1.145 139 H CB 1.309 30.972 29.762 -0.164 0.000 1.599 139 H HN 0.850 nan 8.280 nan 0.000 0.615 140 G N 0.804 109.106 108.800 -0.831 0.000 2.340 140 G HA2 -0.052 3.908 3.960 0.001 0.000 0.527 140 G HA3 -0.052 3.908 3.960 0.001 0.000 0.527 140 G C -0.591 174.063 174.900 -0.409 0.000 1.381 140 G CA -1.059 43.766 45.100 -0.458 0.000 1.001 140 G HN 0.147 nan 8.290 nan 0.000 0.626 141 R N 0.113 120.490 120.500 -0.203 0.000 2.633 141 R HA 0.323 4.663 4.340 0.001 0.000 0.348 141 R C 1.008 177.257 176.300 -0.085 0.000 1.100 141 R CA 0.389 56.395 56.100 -0.157 0.000 1.068 141 R CB 0.567 30.806 30.300 -0.100 0.000 1.351 141 R HN 0.774 nan 8.270 nan 0.000 0.575 142 T N -3.613 110.912 114.554 -0.049 0.000 2.881 142 T HA 0.156 4.506 4.350 0.001 0.000 0.278 142 T C 1.022 175.738 174.700 0.026 0.000 0.982 142 T CA -0.597 61.520 62.100 0.028 0.000 0.989 142 T CB 1.290 70.205 68.868 0.078 0.000 1.058 142 T HN 0.120 nan 8.240 nan 0.000 0.529 143 H N -0.622 118.462 119.070 0.024 0.000 2.265 143 H HA -0.087 4.469 4.556 0.000 0.000 0.293 143 H C 1.697 177.029 175.328 0.006 0.000 1.089 143 H CA 2.804 58.863 56.048 0.017 0.000 1.244 143 H CB -0.511 29.271 29.762 0.035 0.000 1.355 143 H HN 0.745 nan 8.280 nan 0.000 0.485 144 Y N 1.038 121.394 120.300 0.094 0.000 2.181 144 Y HA -0.233 4.318 4.550 0.001 0.000 0.288 144 Y C 2.658 178.547 175.900 -0.018 0.000 1.146 144 Y CA 1.830 59.944 58.100 0.022 0.000 1.164 144 Y CB -0.370 38.094 38.460 0.007 0.000 0.982 144 Y HN 0.353 nan 8.280 nan 0.000 0.515 145 T N -1.845 112.749 114.554 0.067 0.000 3.072 145 T HA -0.105 4.245 4.350 0.001 0.000 0.266 145 T C 1.851 176.470 174.700 -0.136 0.000 1.127 145 T CA 1.113 63.194 62.100 -0.031 0.000 1.107 145 T CB -0.516 68.332 68.868 -0.034 0.000 0.910 145 T HN 0.360 nan 8.240 nan 0.000 0.513 146 L N 0.256 121.398 121.223 -0.135 0.000 2.209 146 L HA 0.218 4.559 4.340 0.001 0.000 0.207 146 L C 3.164 179.960 176.870 -0.123 0.000 1.094 146 L CA 0.850 55.610 54.840 -0.134 0.000 0.790 146 L CB -0.563 41.428 42.059 -0.113 0.000 0.932 146 L HN 0.355 nan 8.230 nan 0.000 0.447 147 A N 0.209 122.914 122.820 -0.192 0.000 1.898 147 A HA -0.142 4.178 4.320 0.001 0.000 0.216 147 A C 2.176 179.627 177.584 -0.222 0.000 1.181 147 A CA 1.229 53.122 52.037 -0.240 0.000 0.620 147 A CB -0.570 18.193 19.000 -0.395 0.000 0.819 147 A HN 0.346 nan 8.150 nan 0.000 0.442 148 L N -0.199 120.880 121.223 -0.240 0.000 2.141 148 L HA -0.060 4.281 4.340 0.001 0.000 0.209 148 L C 0.734 177.663 176.870 0.099 0.000 1.094 148 L CA 0.515 55.301 54.840 -0.091 0.000 0.763 148 L CB -0.756 41.246 42.059 -0.095 0.000 0.908 148 L HN 0.182 nan 8.230 nan 0.000 0.437 149 T N 0.528 115.095 114.554 0.021 0.000 2.888 149 T HA 0.171 4.521 4.350 0.001 0.000 0.301 149 T C 0.833 175.565 174.700 0.054 0.000 1.001 149 T CA -0.031 62.073 62.100 0.005 0.000 1.147 149 T CB 1.071 69.868 68.868 -0.119 0.000 0.931 149 T HN 0.336 nan 8.240 nan 0.000 0.541 150 G N 2.964 111.809 108.800 0.075 0.000 3.458 150 G HA2 0.423 4.384 3.960 0.001 0.000 0.256 150 G HA3 0.423 4.384 3.960 0.001 0.000 0.256 150 G C -0.040 174.895 174.900 0.060 0.000 0.938 150 G CA -0.335 44.802 45.100 0.062 0.000 1.890 150 G HN 0.620 nan 8.290 nan 0.000 0.639 151 K N 0.786 121.243 120.400 0.095 0.000 2.592 151 K HA 0.259 4.579 4.320 0.001 0.000 0.265 151 K C 0.056 176.718 176.600 0.104 0.000 1.006 151 K CA -0.664 55.671 56.287 0.080 0.000 0.907 151 K CB 1.121 33.698 32.500 0.128 0.000 1.309 151 K HN -0.091 nan 8.250 nan 0.000 0.452 152 V N 2.184 122.112 119.914 0.023 0.000 2.283 152 V HA -0.011 4.110 4.120 0.001 0.000 0.239 152 V C 0.755 176.837 176.094 -0.021 0.000 1.035 152 V CA 1.207 63.520 62.300 0.022 0.000 1.018 152 V CB -0.428 31.397 31.823 0.002 0.000 0.658 152 V HN 0.832 nan 8.190 nan 0.000 0.459 153 N N 1.614 120.268 118.700 -0.076 0.000 2.499 153 N HA 0.164 4.904 4.740 0.001 0.000 0.281 153 N C -1.714 173.617 175.510 -0.299 0.000 1.098 153 N CA -1.580 51.398 53.050 -0.120 0.000 0.979 153 N CB 1.667 40.117 38.487 -0.061 0.000 1.121 153 N HN 0.046 nan 8.380 nan 0.000 0.466 154 P HA 0.018 nan 4.420 nan 0.000 0.261 154 P C 0.469 177.754 177.300 -0.026 0.000 1.268 154 P CA 0.475 63.483 63.100 -0.154 0.000 0.833 154 P CB 0.009 31.637 31.700 -0.120 0.000 1.231 155 Y N 1.107 121.422 120.300 0.025 0.000 2.181 155 Y HA -0.185 4.365 4.550 0.001 0.000 0.284 155 Y C 1.904 177.791 175.900 -0.021 0.000 1.179 155 Y CA 1.025 59.135 58.100 0.017 0.000 1.179 155 Y CB -0.650 37.836 38.460 0.042 0.000 0.973 155 Y HN 0.049 nan 8.280 nan 0.000 0.519 156 S N -1.362 114.405 115.700 0.113 0.000 2.666 156 S HA 0.365 4.836 4.470 0.001 0.000 0.239 156 S C 0.662 175.268 174.600 0.011 0.000 1.031 156 S CA -0.168 58.053 58.200 0.035 0.000 1.015 156 S CB 0.376 63.587 63.200 0.018 0.000 0.981 156 S HN 0.324 nan 8.310 nan 0.000 0.547 157 A N 1.379 124.203 122.820 0.008 0.000 2.598 157 A HA 0.408 4.729 4.320 0.001 0.000 0.239 157 A C 1.651 179.235 177.584 -0.000 0.000 1.032 157 A CA 0.948 52.983 52.037 -0.003 0.000 0.760 157 A CB -0.896 18.096 19.000 -0.013 0.000 0.946 157 A HN 1.232 nan 8.150 nan 0.000 0.512 158 G N 1.760 110.560 108.800 -0.001 0.000 2.257 158 G HA2 -0.368 3.592 3.960 0.001 0.000 0.267 158 G HA3 -0.368 3.592 3.960 0.001 0.000 0.267 158 G C 0.881 175.784 174.900 0.005 0.000 0.984 158 G CA 1.087 46.188 45.100 0.002 0.000 0.626 158 G HN 0.760 nan 8.290 nan 0.000 0.540 159 M N 0.461 120.062 119.600 0.003 0.000 2.558 159 M HA 0.366 4.846 4.480 0.001 0.000 0.255 159 M C 1.608 177.916 176.300 0.013 0.000 1.113 159 M CA 1.249 56.552 55.300 0.005 0.000 1.097 159 M CB 0.029 32.619 32.600 -0.018 0.000 1.426 159 M HN 1.393 nan 8.290 nan 0.000 0.488 160 G N 1.103 109.908 108.800 0.008 0.000 2.660 160 G HA2 -0.184 3.776 3.960 0.001 0.000 0.247 160 G HA3 -0.184 3.776 3.960 0.001 0.000 0.247 160 G C -0.824 174.079 174.900 0.005 0.000 1.328 160 G CA -1.088 44.017 45.100 0.009 0.000 0.884 160 G HN 0.218 nan 8.290 nan 0.000 0.531 161 L N 0.924 122.149 121.223 0.003 0.000 2.331 161 L HA 0.394 4.734 4.340 0.001 0.000 0.278 161 L C 1.352 178.222 176.870 -0.001 0.000 1.106 161 L CA -0.804 54.031 54.840 -0.009 0.000 0.824 161 L CB 0.868 42.915 42.059 -0.020 0.000 1.142 161 L HN 0.501 nan 8.230 nan 0.000 0.443 162 M N 3.005 122.594 119.600 -0.017 0.000 2.198 162 M HA 0.270 4.750 4.480 0.001 0.000 0.315 162 M C -1.879 174.398 176.300 -0.039 0.000 1.134 162 M CA -1.857 53.440 55.300 -0.006 0.000 1.171 162 M CB -0.718 31.851 32.600 -0.052 0.000 1.413 162 M HN 0.245 nan 8.290 nan 0.000 0.467 163 P HA -0.021 nan 4.420 nan 0.000 0.261 163 P C 0.068 177.276 177.300 -0.152 0.000 1.158 163 P CA 0.448 63.515 63.100 -0.055 0.000 0.758 163 P CB 0.128 31.844 31.700 0.028 0.000 0.763 164 G N 1.347 110.028 108.800 -0.199 0.000 2.563 164 G HA2 0.209 4.170 3.960 0.001 0.000 0.283 164 G HA3 0.209 4.170 3.960 0.001 0.000 0.283 164 G C -0.439 174.327 174.900 -0.224 0.000 1.309 164 G CA -0.535 44.400 45.100 -0.276 0.000 1.022 164 G HN 0.805 nan 8.290 nan 0.000 0.501 165 H N -3.388 115.523 119.070 -0.266 0.000 2.931 165 H HA -0.148 4.408 4.556 0.000 0.000 0.290 165 H C -0.848 174.272 175.328 -0.345 0.000 1.264 165 H CA -0.012 55.895 56.048 -0.235 0.000 1.140 165 H CB -1.690 28.118 29.762 0.076 0.000 1.343 165 H HN 0.266 nan 8.280 nan 0.000 0.403 166 V N 1.662 121.218 119.914 -0.598 0.000 2.482 166 V HA 0.322 4.442 4.120 0.001 0.000 0.295 166 V C -0.326 175.369 176.094 -0.665 0.000 1.026 166 V CA -0.732 61.316 62.300 -0.420 0.000 0.856 166 V CB 0.978 32.584 31.823 -0.362 0.000 1.001 166 V HN 0.187 nan 8.190 nan 0.000 0.424 167 Y N 2.865 123.133 120.300 -0.052 0.000 2.457 167 Y HA 0.778 5.328 4.550 0.000 0.000 0.333 167 Y C 0.335 176.157 175.900 -0.130 0.000 1.119 167 Y CA -0.950 57.103 58.100 -0.079 0.000 1.143 167 Y CB 1.333 39.741 38.460 -0.087 0.000 1.230 167 Y HN 0.513 nan 8.280 nan 0.000 0.469 168 R N 1.523 122.019 120.500 -0.007 0.000 2.294 168 R HA 0.795 5.136 4.340 0.001 0.000 0.319 168 R C -1.099 175.124 176.300 -0.127 0.000 0.984 168 R CA -0.355 55.700 56.100 -0.075 0.000 0.861 168 R CB 0.624 30.904 30.300 -0.033 0.000 1.104 168 R HN 0.834 nan 8.270 nan 0.000 0.451 169 A N 4.218 126.876 122.820 -0.270 0.000 2.346 169 A HA 0.651 4.972 4.320 0.001 0.000 0.313 169 A C -1.071 176.496 177.584 -0.028 0.000 1.140 169 A CA -0.844 51.025 52.037 -0.280 0.000 0.826 169 A CB 0.996 19.596 19.000 -0.667 0.000 1.332 169 A HN 0.637 nan 8.150 nan 0.000 0.457 170 L N 0.912 122.215 121.223 0.132 0.000 2.275 170 L HA 0.295 4.636 4.340 0.001 0.000 0.288 170 L C -0.694 176.438 176.870 0.437 0.000 1.046 170 L CA -0.411 54.572 54.840 0.239 0.000 0.805 170 L CB 0.832 42.967 42.059 0.126 0.000 1.193 170 L HN 0.754 nan 8.230 nan 0.000 0.426 171 Y N 6.034 126.506 120.300 0.286 0.000 2.377 171 Y HA 0.186 4.736 4.550 0.000 0.000 0.330 171 Y C -1.778 174.017 175.900 -0.174 0.000 1.108 171 Y CA -1.742 56.382 58.100 0.039 0.000 1.308 171 Y CB 0.809 39.266 38.460 -0.004 0.000 1.216 171 Y HN 0.356 nan 8.280 nan 0.000 0.518 172 P HA -0.014 nan 4.420 nan 0.000 0.263 172 P C -0.859 176.282 177.300 -0.266 0.000 1.195 172 P CA 0.180 62.945 63.100 -0.558 0.000 0.762 172 P CB 0.618 31.687 31.700 -1.052 0.000 0.799 173 C N 6.367 125.568 119.300 -0.166 0.000 3.354 173 C HA 0.294 4.754 4.460 0.001 0.000 0.314 173 C C -1.622 173.289 174.990 -0.132 0.000 1.019 173 C CA -1.536 57.380 59.018 -0.170 0.000 1.293 173 C CB 0.051 27.648 27.740 -0.238 0.000 1.747 173 C HN 0.374 nan 8.230 nan 0.000 0.580 174 P HA -0.170 nan 4.420 nan 0.000 0.215 174 P C 1.716 178.933 177.300 -0.139 0.000 1.157 174 P CA 1.162 64.203 63.100 -0.099 0.000 0.874 174 P CB 0.072 31.725 31.700 -0.080 0.000 0.790 175 L N -1.116 119.986 121.223 -0.203 0.000 2.137 175 L HA -0.192 4.148 4.340 0.001 0.000 0.213 175 L C 1.267 177.842 176.870 -0.492 0.000 1.085 175 L CA 2.083 56.701 54.840 -0.369 0.000 0.760 175 L CB -1.127 40.711 42.059 -0.369 0.000 0.893 175 L HN 0.193 nan 8.230 nan 0.000 0.434 176 H N -1.123 117.875 119.070 -0.120 0.000 2.475 176 H HA 0.385 4.941 4.556 0.000 0.000 0.276 176 H C 1.363 176.668 175.328 -0.038 0.000 1.126 176 H CA 0.395 56.411 56.048 -0.052 0.000 1.023 176 H CB 0.059 29.809 29.762 -0.020 0.000 1.669 176 H HN 0.362 nan 8.280 nan 0.000 0.573 177 G N 1.547 110.355 108.800 0.014 0.000 2.153 177 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 177 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 177 G C 0.085 174.992 174.900 0.013 0.000 0.994 177 G CA -0.062 45.047 45.100 0.014 0.000 0.698 177 G HN 0.260 nan 8.290 nan 0.000 0.521 178 I N 2.432 123.000 120.570 -0.002 0.000 2.337 178 I HA 0.354 4.524 4.170 0.001 0.000 0.285 178 I C 1.153 177.242 176.117 -0.046 0.000 1.041 178 I CA -0.656 60.637 61.300 -0.012 0.000 1.199 178 I CB 0.372 38.367 38.000 -0.010 0.000 1.370 178 I HN 0.360 nan 8.210 nan 0.000 0.470 179 S N 4.402 120.087 115.700 -0.026 0.000 2.624 179 S HA 0.247 4.717 4.470 0.001 0.000 0.263 179 S C 1.008 175.583 174.600 -0.040 0.000 1.287 179 S CA -0.349 57.833 58.200 -0.030 0.000 0.990 179 S CB 1.561 64.762 63.200 0.001 0.000 0.950 179 S HN 0.582 nan 8.310 nan 0.000 0.561 180 E N 0.424 120.607 120.200 -0.028 0.000 2.110 180 E HA -0.153 4.197 4.350 0.001 0.000 0.193 180 E C 1.203 177.886 176.600 0.139 0.000 0.988 180 E CA 1.363 57.780 56.400 0.029 0.000 0.804 180 E CB -0.166 29.609 29.700 0.124 0.000 0.745 180 E HN 0.653 nan 8.360 nan 0.000 0.458 181 D N 0.857 121.317 120.400 0.100 0.000 2.149 181 D HA -0.156 4.484 4.640 0.001 0.000 0.198 181 D C 1.472 177.837 176.300 0.109 0.000 0.990 181 D CA 0.959 55.025 54.000 0.109 0.000 0.839 181 D CB -0.245 40.600 40.800 0.075 0.000 0.948 181 D HN 0.131 nan 8.370 nan 0.000 0.460 182 D N 0.384 120.830 120.400 0.076 0.000 2.097 182 D HA -0.113 4.527 4.640 0.001 0.000 0.195 182 D C 2.041 178.398 176.300 0.096 0.000 0.989 182 D CA 1.342 55.383 54.000 0.069 0.000 0.827 182 D CB -0.353 40.471 40.800 0.040 0.000 0.966 182 D HN 0.145 nan 8.370 nan 0.000 0.456 183 A N 1.435 124.319 122.820 0.107 0.000 1.865 183 A HA -0.180 4.140 4.320 0.001 0.000 0.217 183 A C 2.236 179.983 177.584 0.271 0.000 1.191 183 A CA 1.129 53.280 52.037 0.191 0.000 0.623 183 A CB -0.640 18.410 19.000 0.084 0.000 0.826 183 A HN 0.122 nan 8.150 nan 0.000 0.444 184 I N -0.004 120.745 120.570 0.298 0.000 2.226 184 I HA -0.244 3.926 4.170 0.001 0.000 0.245 184 I C 2.947 179.131 176.117 0.112 0.000 1.100 184 I CA 1.479 62.886 61.300 0.178 0.000 1.374 184 I CB -1.647 36.461 38.000 0.180 0.000 1.057 184 I HN 0.378 nan 8.210 nan 0.000 0.413 185 A N 0.977 123.897 122.820 0.168 0.000 1.933 185 A HA -0.210 4.110 4.320 0.001 0.000 0.218 185 A C 2.513 180.149 177.584 0.087 0.000 1.175 185 A CA 2.216 54.358 52.037 0.176 0.000 0.628 185 A CB -0.800 18.276 19.000 0.127 0.000 0.814 185 A HN 0.573 nan 8.150 nan 0.000 0.444 186 S N -0.168 115.557 115.700 0.042 0.000 2.423 186 S HA -0.071 4.400 4.470 0.001 0.000 0.231 186 S C 1.814 176.335 174.600 -0.132 0.000 1.014 186 S CA 1.278 59.469 58.200 -0.015 0.000 0.965 186 S CB -0.659 62.547 63.200 0.009 0.000 0.785 186 S HN 0.507 nan 8.310 nan 0.000 0.495 187 I N 1.158 121.603 120.570 -0.209 0.000 2.286 187 I HA -0.113 4.057 4.170 0.001 0.000 0.245 187 I C 2.716 178.420 176.117 -0.689 0.000 1.104 187 I CA 1.225 62.227 61.300 -0.495 0.000 1.397 187 I CB -0.564 37.133 38.000 -0.505 0.000 1.072 187 I HN 0.337 nan 8.210 nan 0.000 0.417 188 H N 0.611 119.535 119.070 -0.244 0.000 2.456 188 H HA -0.139 4.418 4.556 0.000 0.000 0.296 188 H C 2.262 177.554 175.328 -0.061 0.000 1.079 188 H CA 1.187 57.201 56.048 -0.057 0.000 1.322 188 H CB -0.269 29.543 29.762 0.084 0.000 1.388 188 H HN 0.301 nan 8.280 nan 0.000 0.538 189 R N 0.718 121.222 120.500 0.007 0.000 2.081 189 R HA -0.089 4.252 4.340 0.001 0.000 0.235 189 R C 2.325 178.590 176.300 -0.059 0.000 1.131 189 R CA 1.078 57.176 56.100 -0.003 0.000 0.960 189 R CB -0.166 30.129 30.300 -0.008 0.000 0.856 189 R HN 0.192 nan 8.270 nan 0.000 0.436 190 I N 0.011 120.472 120.570 -0.181 0.000 2.179 190 I HA -0.298 3.873 4.170 0.001 0.000 0.242 190 I C 1.938 177.961 176.117 -0.156 0.000 1.088 190 I CA 1.503 62.667 61.300 -0.226 0.000 1.357 190 I CB -0.343 37.443 38.000 -0.357 0.000 1.051 190 I HN 0.191 nan 8.210 nan 0.000 0.409 191 F N 0.895 120.760 119.950 -0.142 0.000 2.161 191 F HA -0.257 4.270 4.527 0.001 0.000 0.300 191 F C 2.503 178.240 175.800 -0.106 0.000 1.089 191 F CA 0.662 58.573 58.000 -0.149 0.000 1.282 191 F CB -0.223 38.709 39.000 -0.115 0.000 1.010 191 F HN 0.005 nan 8.300 nan 0.000 0.485 192 K N 0.108 120.585 120.400 0.128 0.000 2.098 192 K HA -0.013 4.307 4.320 0.001 0.000 0.203 192 K C 1.344 177.956 176.600 0.020 0.000 1.051 192 K CA 1.060 57.385 56.287 0.064 0.000 0.957 192 K CB -0.705 31.834 32.500 0.065 0.000 0.738 192 K HN 0.258 nan 8.250 nan 0.000 0.447 193 N N 0.344 119.046 118.700 0.003 0.000 2.409 193 N HA -0.017 4.723 4.740 0.001 0.000 0.174 193 N C 0.830 176.329 175.510 -0.018 0.000 1.037 193 N CA 0.847 53.895 53.050 -0.002 0.000 0.898 193 N CB 0.445 38.936 38.487 0.008 0.000 1.010 193 N HN 0.154 nan 8.380 nan 0.000 0.445 194 D N -1.132 119.225 120.400 -0.072 0.000 2.318 194 D HA 0.279 4.919 4.640 0.001 0.000 0.294 194 D C -0.371 175.762 176.300 -0.279 0.000 1.091 194 D CA 0.296 54.226 54.000 -0.117 0.000 0.883 194 D CB 1.010 41.782 40.800 -0.047 0.000 1.545 194 D HN 0.092 nan 8.370 nan 0.000 0.513 195 A N 1.195 123.790 122.820 -0.376 0.000 2.497 195 A HA 0.634 4.954 4.320 0.001 0.000 0.280 195 A C -0.405 177.101 177.584 -0.131 0.000 1.065 195 A CA -0.429 51.382 52.037 -0.377 0.000 0.781 195 A CB 1.201 19.700 19.000 -0.836 0.000 1.289 195 A HN 0.081 nan 8.150 nan 0.000 0.415 196 A N 3.820 126.580 122.820 -0.099 0.000 2.466 196 A HA 0.549 4.870 4.320 0.001 0.000 0.238 196 A C -1.262 176.217 177.584 -0.175 0.000 1.074 196 A CA -0.688 51.284 52.037 -0.109 0.000 0.774 196 A CB -0.241 18.686 19.000 -0.122 0.000 1.015 196 A HN 0.537 nan 8.150 nan 0.000 0.498 197 P HA -0.220 nan 4.420 nan 0.000 0.217 197 P C 1.145 178.296 177.300 -0.248 0.000 1.151 197 P CA 1.695 64.392 63.100 -0.671 0.000 0.849 197 P CB 0.071 30.997 31.700 -1.289 0.000 0.787 198 E N -1.001 119.089 120.200 -0.184 0.000 2.515 198 E HA -0.146 4.204 4.350 0.001 0.000 0.201 198 E C 0.373 176.935 176.600 -0.064 0.000 1.071 198 E CA 0.995 57.338 56.400 -0.094 0.000 0.880 198 E CB -0.659 28.995 29.700 -0.076 0.000 0.828 198 E HN 0.302 nan 8.360 nan 0.000 0.540 199 D N 0.336 120.697 120.400 -0.065 0.000 2.500 199 D HA 0.169 4.809 4.640 0.001 0.000 0.217 199 D C -0.080 176.218 176.300 -0.003 0.000 1.159 199 D CA -0.259 53.715 54.000 -0.043 0.000 0.828 199 D CB 0.763 41.519 40.800 -0.074 0.000 1.039 199 D HN 0.117 nan 8.370 nan 0.000 0.512 200 I N 1.736 122.315 120.570 0.015 0.000 2.307 200 I HA 0.228 4.398 4.170 0.001 0.000 0.289 200 I C 1.342 177.498 176.117 0.065 0.000 1.021 200 I CA -0.335 61.011 61.300 0.076 0.000 1.224 200 I CB 1.124 39.217 38.000 0.155 0.000 1.376 200 I HN -0.190 nan 8.210 nan 0.000 0.470 201 A N 5.476 128.338 122.820 0.069 0.000 1.975 201 A HA 0.565 4.886 4.320 0.001 0.000 0.215 201 A C 1.002 178.620 177.584 0.056 0.000 1.170 201 A CA 1.031 53.098 52.037 0.049 0.000 0.656 201 A CB 0.207 19.230 19.000 0.039 0.000 0.821 201 A HN 0.770 nan 8.150 nan 0.000 0.449 202 A N -1.467 121.398 122.820 0.076 0.000 2.610 202 A HA 0.665 4.985 4.320 0.001 0.000 0.291 202 A C -1.392 176.245 177.584 0.089 0.000 1.086 202 A CA -0.453 51.630 52.037 0.075 0.000 0.677 202 A CB 0.563 19.597 19.000 0.057 0.000 1.278 202 A HN 0.212 nan 8.150 nan 0.000 0.414 203 I N 1.387 122.015 120.570 0.097 0.000 2.418 203 I HA 0.419 4.589 4.170 0.001 0.000 0.287 203 I C -0.865 175.347 176.117 0.158 0.000 1.008 203 I CA -0.885 60.487 61.300 0.120 0.000 1.104 203 I CB 1.896 39.982 38.000 0.143 0.000 1.264 203 I HN 0.357 nan 8.210 nan 0.000 0.438 204 V N 7.661 127.670 119.914 0.158 0.000 2.394 204 V HA 0.524 4.644 4.120 0.001 0.000 0.282 204 V C -0.147 176.169 176.094 0.370 0.000 1.031 204 V CA -0.524 61.857 62.300 0.135 0.000 0.881 204 V CB 1.903 33.651 31.823 -0.126 0.000 0.982 204 V HN 0.556 nan 8.190 nan 0.000 0.451 205 I N 2.935 123.713 120.570 0.347 0.000 2.752 205 I HA 0.485 4.655 4.170 0.001 0.000 0.295 205 I C -0.639 175.664 176.117 0.309 0.000 1.219 205 I CA -0.502 61.032 61.300 0.391 0.000 1.030 205 I CB 2.760 40.900 38.000 0.233 0.000 1.259 205 I HN 0.641 nan 8.210 nan 0.000 0.423 206 E N 7.807 128.187 120.200 0.301 0.000 2.167 206 E HA 0.244 4.595 4.350 0.001 0.000 0.284 206 E C -1.954 174.771 176.600 0.208 0.000 1.016 206 E CA -1.522 54.996 56.400 0.196 0.000 0.817 206 E CB 1.309 31.051 29.700 0.070 0.000 1.080 206 E HN 0.389 nan 8.360 nan 0.000 0.397 207 P HA -0.173 nan 4.420 nan 0.000 0.216 207 P C -0.225 177.176 177.300 0.168 0.000 1.154 207 P CA 1.036 64.227 63.100 0.151 0.000 0.865 207 P CB 0.316 32.082 31.700 0.110 0.000 0.789 208 V N 0.043 120.007 119.914 0.084 0.000 2.443 208 V HA 0.170 4.290 4.120 0.001 0.000 0.293 208 V C -0.055 175.991 176.094 -0.080 0.000 1.021 208 V CA -0.801 61.506 62.300 0.012 0.000 0.848 208 V CB 1.511 33.271 31.823 -0.105 0.000 0.998 208 V HN -0.062 nan 8.190 nan 0.000 0.424 209 Q N 2.241 121.952 119.800 -0.149 0.000 2.337 209 Q HA 0.284 4.624 4.340 0.001 0.000 0.270 209 Q C 1.086 177.019 176.000 -0.113 0.000 1.002 209 Q CA 0.543 56.221 55.803 -0.209 0.000 0.888 209 Q CB 1.690 30.186 28.738 -0.404 0.000 1.222 209 Q HN 0.930 nan 8.270 nan 0.000 0.400 210 G N 2.004 110.772 108.800 -0.054 0.000 2.670 210 G HA2 -0.148 3.812 3.960 0.001 0.000 0.219 210 G HA3 -0.148 3.812 3.960 0.001 0.000 0.219 210 G C 0.830 175.812 174.900 0.137 0.000 1.342 210 G CA -0.031 45.115 45.100 0.076 0.000 0.902 210 G HN 0.539 nan 8.290 nan 0.000 0.553 211 E N 1.170 121.365 120.200 -0.008 0.000 2.265 211 E HA -0.074 4.276 4.350 0.001 0.000 0.196 211 E C 2.495 179.049 176.600 -0.077 0.000 0.996 211 E CA 0.898 57.244 56.400 -0.090 0.000 0.832 211 E CB -0.718 28.842 29.700 -0.233 0.000 0.756 211 E HN 0.374 nan 8.360 nan 0.000 0.491 212 G N 0.110 108.873 108.800 -0.061 0.000 2.625 212 G HA2 0.052 4.013 3.960 0.001 0.000 0.214 212 G HA3 0.052 4.013 3.960 0.001 0.000 0.214 212 G C 1.058 175.883 174.900 -0.125 0.000 1.132 212 G CA 0.654 45.702 45.100 -0.087 0.000 0.782 212 G HN 0.438 nan 8.290 nan 0.000 0.538 213 G N -1.501 107.178 108.800 -0.202 0.000 2.164 213 G HA2 -0.099 3.862 3.960 0.001 0.000 0.154 213 G HA3 -0.099 3.862 3.960 0.001 0.000 0.154 213 G C 0.384 174.953 174.900 -0.551 0.000 1.014 213 G CA -0.177 44.618 45.100 -0.509 0.000 0.683 213 G HN 0.656 nan 8.290 nan 0.000 0.500 214 F N -0.974 118.703 119.950 -0.454 0.000 2.983 214 F HA -0.172 4.356 4.527 0.000 0.000 0.288 214 F C 0.308 175.944 175.800 -0.273 0.000 0.980 214 F CA 0.149 57.974 58.000 -0.293 0.000 0.965 214 F CB -2.295 36.572 39.000 -0.222 0.000 0.967 214 F HN 0.490 nan 8.300 nan 0.000 0.800 215 Y N -0.354 119.998 120.300 0.087 0.000 2.331 215 Y HA 0.650 5.200 4.550 0.001 0.000 0.338 215 Y C 0.552 176.521 175.900 0.115 0.000 0.976 215 Y CA -0.696 57.460 58.100 0.093 0.000 1.137 215 Y CB 1.248 39.758 38.460 0.083 0.000 1.172 215 Y HN 0.305 nan 8.280 nan 0.000 0.478 216 A N 2.359 125.346 122.820 0.278 0.000 2.303 216 A HA 0.539 4.859 4.320 0.001 0.000 0.317 216 A C -0.085 177.611 177.584 0.186 0.000 1.149 216 A CA -0.638 51.520 52.037 0.202 0.000 0.822 216 A CB 0.994 20.057 19.000 0.105 0.000 1.131 216 A HN 0.622 nan 8.150 nan 0.000 0.493 217 S N 1.200 116.987 115.700 0.145 0.000 2.562 217 S HA 0.493 4.963 4.470 0.001 0.000 0.275 217 S C 0.528 175.165 174.600 0.061 0.000 1.281 217 S CA 0.043 58.245 58.200 0.002 0.000 1.045 217 S CB 0.309 63.538 63.200 0.048 0.000 0.962 217 S HN 1.567 nan 8.310 nan 0.000 0.503 218 S N 4.119 119.854 115.700 0.058 0.000 2.617 218 S HA 0.440 4.910 4.470 0.001 0.000 0.269 218 S C -2.084 172.580 174.600 0.106 0.000 1.292 218 S CA -1.092 57.154 58.200 0.077 0.000 1.010 218 S CB 0.677 63.914 63.200 0.063 0.000 0.944 218 S HN 0.570 nan 8.310 nan 0.000 0.536 219 P HA -0.028 nan 4.420 nan 0.000 0.216 219 P C 1.650 178.982 177.300 0.055 0.000 1.153 219 P CA 1.858 64.992 63.100 0.057 0.000 0.848 219 P CB -0.241 31.484 31.700 0.040 0.000 0.787 220 A N -0.920 121.939 122.820 0.065 0.000 1.892 220 A HA -0.248 4.072 4.320 0.001 0.000 0.218 220 A C 2.148 179.774 177.584 0.070 0.000 1.188 220 A CA 1.745 53.818 52.037 0.060 0.000 0.631 220 A CB -1.879 17.162 19.000 0.068 0.000 0.822 220 A HN 0.163 nan 8.150 nan 0.000 0.447 221 F N -0.541 119.389 119.950 -0.033 0.000 2.075 221 F HA -0.144 4.383 4.527 0.001 0.000 0.297 221 F C 2.182 177.952 175.800 -0.049 0.000 1.113 221 F CA 2.263 60.230 58.000 -0.055 0.000 1.218 221 F CB -0.340 38.592 39.000 -0.113 0.000 0.984 221 F HN 0.232 nan 8.300 nan 0.000 0.472 222 M N 0.788 120.351 119.600 -0.062 0.000 2.149 222 M HA -0.253 4.227 4.480 0.001 0.000 0.261 222 M C 2.105 178.312 176.300 -0.156 0.000 1.064 222 M CA 1.756 56.975 55.300 -0.135 0.000 1.102 222 M CB -0.731 31.875 32.600 0.009 0.000 1.369 222 M HN 0.313 nan 8.290 nan 0.000 0.408 223 Q N -1.071 118.672 119.800 -0.094 0.000 2.079 223 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 223 Q C 2.147 178.087 176.000 -0.099 0.000 0.974 223 Q CA 1.589 57.352 55.803 -0.067 0.000 0.840 223 Q CB -0.111 28.611 28.738 -0.026 0.000 0.898 223 Q HN 0.512 nan 8.270 nan 0.000 0.430 224 R N -0.109 120.300 120.500 -0.152 0.000 2.092 224 R HA -0.119 4.221 4.340 0.001 0.000 0.231 224 R C 2.177 178.363 176.300 -0.190 0.000 1.119 224 R CA 0.865 56.879 56.100 -0.143 0.000 0.970 224 R CB -0.301 29.913 30.300 -0.143 0.000 0.864 224 R HN 0.169 nan 8.270 nan 0.000 0.440 225 L N 1.038 122.052 121.223 -0.349 0.000 2.093 225 L HA -0.123 4.218 4.340 0.001 0.000 0.208 225 L C 2.365 179.172 176.870 -0.106 0.000 1.085 225 L CA 1.684 56.356 54.840 -0.280 0.000 0.755 225 L CB -0.341 41.470 42.059 -0.413 0.000 0.904 225 L HN -0.081 nan 8.230 nan 0.000 0.435 226 R N 0.024 120.469 120.500 -0.092 0.000 2.081 226 R HA -0.052 4.288 4.340 0.001 0.000 0.235 226 R C 2.141 178.427 176.300 -0.023 0.000 1.131 226 R CA 1.692 57.772 56.100 -0.034 0.000 0.960 226 R CB -0.865 29.421 30.300 -0.024 0.000 0.856 226 R HN 0.441 nan 8.270 nan 0.000 0.436 227 A N 0.766 123.566 122.820 -0.032 0.000 1.877 227 A HA -0.129 4.191 4.320 0.001 0.000 0.216 227 A C 2.268 179.850 177.584 -0.004 0.000 1.186 227 A CA 1.532 53.557 52.037 -0.020 0.000 0.620 227 A CB -0.829 18.160 19.000 -0.017 0.000 0.822 227 A HN 0.440 nan 8.150 nan 0.000 0.443 228 L N -0.528 120.710 121.223 0.025 0.000 2.042 228 L HA -0.242 4.099 4.340 0.001 0.000 0.210 228 L C 2.537 179.498 176.870 0.151 0.000 1.076 228 L CA 2.131 57.039 54.840 0.114 0.000 0.749 228 L CB -0.405 41.723 42.059 0.115 0.000 0.893 228 L HN 0.495 nan 8.230 nan 0.000 0.432 229 C N 0.043 119.400 119.300 0.096 0.000 2.432 229 C HA -0.148 4.313 4.460 0.001 0.000 0.277 229 C C 2.374 177.390 174.990 0.043 0.000 1.249 229 C CA 0.696 59.774 59.018 0.100 0.000 1.725 229 C CB -1.003 26.776 27.740 0.064 0.000 2.028 229 C HN 0.608 nan 8.230 nan 0.000 0.477 230 D N 0.373 120.772 120.400 -0.003 0.000 2.104 230 D HA -0.172 4.468 4.640 0.001 0.000 0.194 230 D C 2.077 178.325 176.300 -0.086 0.000 0.994 230 D CA 1.309 55.285 54.000 -0.040 0.000 0.830 230 D CB -0.593 40.181 40.800 -0.043 0.000 0.959 230 D HN 0.635 nan 8.370 nan 0.000 0.452 231 E N -0.170 119.944 120.200 -0.145 0.000 2.118 231 E HA -0.187 4.163 4.350 0.001 0.000 0.195 231 E C 1.165 177.504 176.600 -0.435 0.000 0.992 231 E CA 0.964 57.176 56.400 -0.313 0.000 0.804 231 E CB 0.149 29.580 29.700 -0.449 0.000 0.741 231 E HN 0.430 nan 8.360 nan 0.000 0.458 232 H N -1.765 117.270 119.070 -0.058 0.000 2.594 232 H HA 0.206 4.762 4.556 0.001 0.000 0.279 232 H C 0.958 176.243 175.328 -0.072 0.000 1.042 232 H CA 0.638 56.627 56.048 -0.100 0.000 1.177 232 H CB 1.212 30.867 29.762 -0.178 0.000 1.524 232 H HN 0.317 nan 8.280 nan 0.000 0.537 233 G N 1.911 110.724 108.800 0.022 0.000 2.221 233 G HA2 -0.278 3.682 3.960 0.001 0.000 0.265 233 G HA3 -0.278 3.682 3.960 0.001 0.000 0.265 233 G C 0.127 175.043 174.900 0.026 0.000 1.041 233 G CA 0.140 45.243 45.100 0.005 0.000 0.807 233 G HN 0.352 nan 8.290 nan 0.000 0.502 234 I N 0.845 121.451 120.570 0.059 0.000 2.396 234 I HA 0.333 4.504 4.170 0.001 0.000 0.292 234 I C 0.884 177.030 176.117 0.049 0.000 0.999 234 I CA -0.923 60.419 61.300 0.070 0.000 1.310 234 I CB 1.114 39.189 38.000 0.126 0.000 1.404 234 I HN -0.019 nan 8.210 nan 0.000 0.496 235 M N 6.482 126.106 119.600 0.040 0.000 2.162 235 M HA 0.201 4.681 4.480 0.001 0.000 0.356 235 M C -0.533 175.796 176.300 0.048 0.000 1.303 235 M CA -0.643 54.674 55.300 0.028 0.000 1.116 235 M CB 0.678 33.288 32.600 0.017 0.000 1.632 235 M HN 0.291 nan 8.290 nan 0.000 0.469 236 L N 6.170 127.420 121.223 0.045 0.000 2.260 236 L HA 0.467 4.807 4.340 0.001 0.000 0.289 236 L C -0.838 176.069 176.870 0.062 0.000 1.057 236 L CA 0.235 55.113 54.840 0.063 0.000 0.811 236 L CB 0.129 42.221 42.059 0.055 0.000 1.184 236 L HN 0.563 nan 8.230 nan 0.000 0.429 237 I N 5.744 126.358 120.570 0.073 0.000 2.330 237 I HA 0.445 4.615 4.170 0.001 0.000 0.289 237 I C 0.170 176.339 176.117 0.087 0.000 1.001 237 I CA -0.563 60.774 61.300 0.061 0.000 1.193 237 I CB 1.500 39.523 38.000 0.039 0.000 1.345 237 I HN 0.772 nan 8.210 nan 0.000 0.461 238 A N 5.047 127.913 122.820 0.076 0.000 2.279 238 A HA 0.251 4.572 4.320 0.001 0.000 0.306 238 A C -0.334 177.319 177.584 0.114 0.000 1.300 238 A CA -0.445 51.652 52.037 0.100 0.000 0.925 238 A CB 0.200 19.243 19.000 0.072 0.000 1.152 238 A HN 0.666 nan 8.150 nan 0.000 0.544 239 D N 2.669 123.167 120.400 0.164 0.000 2.393 239 D HA 0.137 4.778 4.640 0.001 0.000 0.232 239 D C 0.277 176.687 176.300 0.184 0.000 1.192 239 D CA 0.198 54.310 54.000 0.187 0.000 0.882 239 D CB 0.558 41.543 40.800 0.309 0.000 1.038 239 D HN 0.589 nan 8.370 nan 0.000 0.499 240 E N 2.816 123.136 120.200 0.200 0.000 2.569 240 E HA 0.052 4.403 4.350 0.001 0.000 0.205 240 E C 1.612 178.349 176.600 0.228 0.000 1.006 240 E CA -0.117 56.426 56.400 0.238 0.000 0.985 240 E CB 1.016 30.955 29.700 0.398 0.000 1.060 240 E HN 0.317 nan 8.360 nan 0.000 0.460 241 V N 1.082 121.107 119.914 0.185 0.000 2.324 241 V HA -0.319 3.802 4.120 0.001 0.000 0.250 241 V C 2.365 178.525 176.094 0.111 0.000 1.060 241 V CA 2.314 64.708 62.300 0.157 0.000 1.042 241 V CB -0.237 31.663 31.823 0.128 0.000 0.650 241 V HN 0.344 nan 8.190 nan 0.000 0.450 242 Q N -0.646 119.200 119.800 0.078 0.000 2.394 242 Q HA -0.058 4.282 4.340 0.001 0.000 0.218 242 Q C 2.241 178.220 176.000 -0.034 0.000 0.907 242 Q CA 0.932 56.749 55.803 0.023 0.000 0.919 242 Q CB 0.164 28.912 28.738 0.016 0.000 1.051 242 Q HN 0.719 nan 8.270 nan 0.000 0.538 243 S N -0.719 114.965 115.700 -0.026 0.000 2.489 243 S HA 0.121 4.592 4.470 0.001 0.000 0.228 243 S C 1.067 175.633 174.600 -0.058 0.000 0.995 243 S CA 0.215 58.374 58.200 -0.068 0.000 0.934 243 S CB -0.002 63.180 63.200 -0.031 0.000 0.771 243 S HN 0.375 nan 8.310 nan 0.000 0.522 244 G N 0.043 108.832 108.800 -0.018 0.000 2.508 244 G HA2 0.491 4.451 3.960 0.001 0.000 0.278 244 G HA3 0.491 4.451 3.960 0.001 0.000 0.278 244 G C 0.560 175.247 174.900 -0.355 0.000 1.389 244 G CA -0.455 44.530 45.100 -0.192 0.000 1.050 244 G HN 1.343 nan 8.290 nan 0.000 0.522 245 A N -2.416 119.989 122.820 -0.692 0.000 2.791 245 A HA 0.273 4.594 4.320 0.001 0.000 0.292 245 A C 2.045 179.296 177.584 -0.554 0.000 1.487 245 A CA 1.721 53.395 52.037 -0.606 0.000 0.760 245 A CB -1.552 17.285 19.000 -0.270 0.000 1.031 245 A HN 2.976 nan 8.150 nan 0.000 0.503 246 G N -1.599 106.842 108.800 -0.599 0.000 2.168 246 G HA2 -0.373 3.587 3.960 0.001 0.000 0.263 246 G HA3 -0.373 3.587 3.960 0.001 0.000 0.263 246 G C 0.804 175.659 174.900 -0.075 0.000 0.977 246 G CA 1.368 46.268 45.100 -0.333 0.000 0.659 246 G HN 1.589 nan 8.290 nan 0.000 0.533 247 R N 0.898 121.341 120.500 -0.096 0.000 2.159 247 R HA -0.031 4.310 4.340 0.001 0.000 0.237 247 R C 2.720 178.983 176.300 -0.062 0.000 1.131 247 R CA 2.457 58.523 56.100 -0.055 0.000 0.982 247 R CB -0.568 29.677 30.300 -0.090 0.000 0.868 247 R HN 0.701 nan 8.270 nan 0.000 0.453 248 T N -4.433 110.075 114.554 -0.076 0.000 3.163 248 T HA 0.352 4.702 4.350 0.001 0.000 0.252 248 T C 1.197 175.879 174.700 -0.030 0.000 1.056 248 T CA 0.265 62.331 62.100 -0.056 0.000 0.947 248 T CB 0.650 69.484 68.868 -0.055 0.000 1.016 248 T HN 0.335 nan 8.240 nan 0.000 0.554 249 G N 1.251 110.039 108.800 -0.020 0.000 2.284 249 G HA2 -0.186 3.774 3.960 0.001 0.000 0.216 249 G HA3 -0.186 3.774 3.960 0.001 0.000 0.216 249 G C 0.281 175.174 174.900 -0.012 0.000 1.009 249 G CA 0.075 45.173 45.100 -0.003 0.000 0.625 249 G HN 1.179 nan 8.290 nan 0.000 0.501 250 T N -1.345 113.185 114.554 -0.040 0.000 2.924 250 T HA 0.689 5.039 4.350 0.001 0.000 0.291 250 T C 1.147 175.756 174.700 -0.151 0.000 1.045 250 T CA -0.017 62.047 62.100 -0.059 0.000 1.015 250 T CB 2.237 71.091 68.868 -0.023 0.000 1.103 250 T HN 0.709 nan 8.240 nan 0.000 0.496 251 L N 0.059 121.150 121.223 -0.221 0.000 2.013 251 L HA 0.253 4.594 4.340 0.001 0.000 0.212 251 L C -0.121 176.343 176.870 -0.676 0.000 1.073 251 L CA 1.762 56.304 54.840 -0.496 0.000 0.753 251 L CB -0.661 41.135 42.059 -0.438 0.000 0.890 251 L HN 0.727 nan 8.230 nan 0.000 0.432 252 F N -2.564 117.311 119.950 -0.125 0.000 2.540 252 F HA 0.483 5.010 4.527 0.000 0.000 0.317 252 F C 1.093 176.861 175.800 -0.053 0.000 1.104 252 F CA -0.317 57.633 58.000 -0.083 0.000 0.913 252 F CB 1.319 40.277 39.000 -0.071 0.000 1.170 252 F HN -0.140 nan 8.300 nan 0.000 0.450 253 A N 2.993 125.897 122.820 0.141 0.000 1.978 253 A HA -0.158 4.162 4.320 0.001 0.000 0.220 253 A C 2.128 179.765 177.584 0.090 0.000 1.170 253 A CA 1.486 53.570 52.037 0.079 0.000 0.636 253 A CB -0.430 18.608 19.000 0.062 0.000 0.810 253 A HN 0.744 nan 8.150 nan 0.000 0.448 254 M N -0.071 119.599 119.600 0.117 0.000 2.267 254 M HA -0.171 4.310 4.480 0.001 0.000 0.263 254 M C 1.733 178.067 176.300 0.056 0.000 1.063 254 M CA 1.355 56.701 55.300 0.076 0.000 1.090 254 M CB -1.420 31.213 32.600 0.054 0.000 1.392 254 M HN 0.574 nan 8.290 nan 0.000 0.422 255 E N -0.027 120.212 120.200 0.065 0.000 2.160 255 E HA -0.226 4.124 4.350 0.001 0.000 0.195 255 E C 1.658 178.275 176.600 0.028 0.000 0.991 255 E CA 0.996 57.419 56.400 0.038 0.000 0.810 255 E CB -0.241 29.483 29.700 0.040 0.000 0.742 255 E HN 0.668 nan 8.360 nan 0.000 0.466 256 Q N -0.550 119.270 119.800 0.033 0.000 2.403 256 Q HA 0.088 4.428 4.340 0.001 0.000 0.203 256 Q C 1.532 177.551 176.000 0.032 0.000 0.932 256 Q CA 0.186 56.006 55.803 0.028 0.000 0.945 256 Q CB 0.337 29.090 28.738 0.026 0.000 1.045 256 Q HN 0.236 nan 8.270 nan 0.000 0.511 257 M N -1.454 118.168 119.600 0.037 0.000 2.514 257 M HA 0.155 4.635 4.480 0.001 0.000 0.258 257 M C 1.263 177.580 176.300 0.028 0.000 1.119 257 M CA 0.957 56.279 55.300 0.038 0.000 1.111 257 M CB 0.049 32.676 32.600 0.044 0.000 1.390 257 M HN 0.381 nan 8.290 nan 0.000 0.475 258 G N 1.183 109.997 108.800 0.024 0.000 2.176 258 G HA2 -0.186 3.774 3.960 0.001 0.000 0.253 258 G HA3 -0.186 3.774 3.960 0.001 0.000 0.253 258 G C 0.164 175.075 174.900 0.020 0.000 0.979 258 G CA 0.287 45.399 45.100 0.019 0.000 0.641 258 G HN 0.568 nan 8.290 nan 0.000 0.530 259 V N -3.653 116.275 119.914 0.023 0.000 3.188 259 V HA 0.990 5.110 4.120 0.001 0.000 0.305 259 V C -0.079 176.041 176.094 0.042 0.000 1.232 259 V CA -0.667 61.652 62.300 0.032 0.000 1.043 259 V CB 1.511 33.347 31.823 0.022 0.000 1.068 259 V HN 1.864 nan 8.190 nan 0.000 0.439 260 A N 2.439 125.304 122.820 0.074 0.000 2.337 260 A HA 1.016 5.337 4.320 0.001 0.000 0.329 260 A C -2.549 175.106 177.584 0.119 0.000 1.146 260 A CA -1.821 50.273 52.037 0.096 0.000 0.800 260 A CB 1.294 20.382 19.000 0.147 0.000 1.220 260 A HN 0.846 nan 8.150 nan 0.000 0.472 261 P HA 0.270 nan 4.420 nan 0.000 0.278 261 P C -0.526 176.848 177.300 0.125 0.000 1.266 261 P CA -0.250 62.899 63.100 0.082 0.000 0.807 261 P CB 1.228 32.959 31.700 0.051 0.000 1.094 262 D N -0.344 120.101 120.400 0.076 0.000 2.271 262 D HA 0.117 4.757 4.640 0.001 0.000 0.206 262 D C 0.445 176.785 176.300 0.067 0.000 0.967 262 D CA 1.156 55.189 54.000 0.055 0.000 0.867 262 D CB 0.369 41.169 40.800 0.001 0.000 0.960 262 D HN 0.261 nan 8.370 nan 0.000 0.509 263 L N -0.209 121.043 121.223 0.048 0.000 2.455 263 L HA 0.335 4.675 4.340 0.001 0.000 0.264 263 L C -0.683 176.195 176.870 0.013 0.000 0.968 263 L CA -0.411 54.447 54.840 0.029 0.000 0.827 263 L CB 2.789 44.857 42.059 0.016 0.000 1.317 263 L HN -0.361 nan 8.230 nan 0.000 0.407 264 T N 0.303 114.852 114.554 -0.009 0.000 2.861 264 T HA 0.590 4.940 4.350 0.001 0.000 0.287 264 T C -0.355 174.356 174.700 0.018 0.000 1.003 264 T CA -0.610 61.474 62.100 -0.027 0.000 0.977 264 T CB 1.808 70.568 68.868 -0.180 0.000 0.996 264 T HN 0.674 nan 8.240 nan 0.000 0.448 265 T N 0.906 115.488 114.554 0.047 0.000 2.895 265 T HA 0.858 5.208 4.350 0.001 0.000 0.283 265 T C -0.671 174.128 174.700 0.165 0.000 1.014 265 T CA -0.847 61.249 62.100 -0.007 0.000 1.037 265 T CB 0.730 69.589 68.868 -0.014 0.000 1.006 265 T HN 0.534 nan 8.240 nan 0.000 0.468 266 F N -0.641 119.365 119.950 0.093 0.000 2.631 266 F HA 0.965 5.492 4.527 0.000 0.000 0.308 266 F C -0.414 175.438 175.800 0.087 0.000 1.097 266 F CA -1.091 56.998 58.000 0.149 0.000 0.952 266 F CB 1.059 40.218 39.000 0.265 0.000 1.307 266 F HN 1.016 nan 8.300 nan 0.000 0.450 267 A N 1.023 124.022 122.820 0.298 0.000 5.767 267 A HA 0.602 4.922 4.320 0.001 0.000 0.190 267 A C 0.242 177.920 177.584 0.156 0.000 0.899 267 A CA -0.175 51.969 52.037 0.180 0.000 0.816 267 A CB -0.347 18.699 19.000 0.077 0.000 2.140 267 A HN 0.897 nan 8.150 nan 0.000 1.042 268 K N -1.172 119.289 120.400 0.101 0.000 2.026 268 K HA -0.294 4.027 4.320 0.001 0.000 0.145 268 K C 1.573 178.215 176.600 0.070 0.000 0.872 268 K CA 2.115 58.445 56.287 0.071 0.000 0.349 268 K CB -1.650 30.884 32.500 0.057 0.000 0.715 268 K HN 0.546 nan 8.250 nan 0.000 0.815 269 S N 0.732 116.464 115.700 0.052 0.000 2.469 269 S HA -0.094 4.377 4.470 0.001 0.000 0.238 269 S C 1.681 176.317 174.600 0.060 0.000 0.998 269 S CA 1.000 59.231 58.200 0.053 0.000 0.957 269 S CB -0.215 63.012 63.200 0.044 0.000 0.764 269 S HN 0.357 nan 8.310 nan 0.000 0.514 270 I N 1.801 122.403 120.570 0.054 0.000 2.300 270 I HA -0.215 3.956 4.170 0.001 0.000 0.252 270 I C 1.594 177.750 176.117 0.064 0.000 1.119 270 I CA 1.391 62.710 61.300 0.031 0.000 1.384 270 I CB -0.247 37.840 38.000 0.145 0.000 1.062 270 I HN 0.230 nan 8.210 nan 0.000 0.426 271 A N -0.764 122.127 122.820 0.118 0.000 2.594 271 A HA 0.569 4.889 4.320 0.001 0.000 0.287 271 A C 1.453 179.185 177.584 0.247 0.000 1.227 271 A CA 0.184 52.313 52.037 0.154 0.000 0.952 271 A CB -0.870 18.241 19.000 0.185 0.000 1.161 271 A HN 0.718 nan 8.150 nan 0.000 0.524 272 G N -0.590 108.319 108.800 0.181 0.000 2.379 272 G HA2 0.127 4.088 3.960 0.001 0.000 0.297 272 G HA3 0.127 4.088 3.960 0.001 0.000 0.297 272 G C 1.323 176.342 174.900 0.197 0.000 1.004 272 G CA 1.037 46.246 45.100 0.182 0.000 0.921 272 G HN 2.201 nan 8.290 nan 0.000 0.511 273 G N -2.869 105.995 108.800 0.107 0.000 2.141 273 G HA2 0.063 4.023 3.960 0.001 0.000 0.164 273 G HA3 0.063 4.023 3.960 0.001 0.000 0.164 273 G C -0.062 174.574 174.900 -0.441 0.000 1.009 273 G CA -0.017 45.000 45.100 -0.139 0.000 0.677 273 G HN 1.130 nan 8.290 nan 0.000 0.508 274 F N -0.252 119.710 119.950 0.020 0.000 2.565 274 F HA 0.585 5.112 4.527 0.001 0.000 0.313 274 F C -2.238 173.574 175.800 0.019 0.000 1.091 274 F CA -2.698 55.313 58.000 0.018 0.000 0.915 274 F CB 2.102 41.116 39.000 0.023 0.000 1.208 274 F HN -0.166 nan 8.300 nan 0.000 0.453 275 P HA 0.224 nan 4.420 nan 0.000 0.263 275 P C -1.118 176.246 177.300 0.107 0.000 1.276 275 P CA 0.365 63.518 63.100 0.088 0.000 0.986 275 P CB 0.255 31.974 31.700 0.031 0.000 1.105 276 L N 2.771 124.058 121.223 0.106 0.000 2.505 276 L HA 0.827 5.167 4.340 0.001 0.000 0.259 276 L C -1.577 175.341 176.870 0.080 0.000 0.952 276 L CA -0.672 54.225 54.840 0.096 0.000 0.840 276 L CB 2.034 44.163 42.059 0.116 0.000 1.358 276 L HN 0.342 nan 8.230 nan 0.000 0.409 277 A N 1.885 124.711 122.820 0.009 0.000 2.602 277 A HA 1.037 5.357 4.320 0.001 0.000 0.290 277 A C -0.713 176.645 177.584 -0.377 0.000 1.114 277 A CA -0.066 51.897 52.037 -0.123 0.000 0.683 277 A CB 1.550 20.487 19.000 -0.105 0.000 1.281 277 A HN 1.511 nan 8.150 nan 0.000 0.416 278 G N -1.596 106.626 108.800 -0.963 0.000 2.506 278 G HA2 0.635 4.595 3.960 0.001 0.000 0.292 278 G HA3 0.635 4.595 3.960 0.001 0.000 0.292 278 G C -2.024 172.202 174.900 -1.123 0.000 1.425 278 G CA -0.081 44.361 45.100 -1.096 0.000 0.788 278 G HN 1.438 nan 8.290 nan 0.000 0.490 279 V N 0.112 119.728 119.914 -0.496 0.000 2.638 279 V HA 0.740 4.860 4.120 0.001 0.000 0.306 279 V C -0.353 175.743 176.094 0.003 0.000 1.052 279 V CA -0.625 61.551 62.300 -0.208 0.000 0.885 279 V CB 1.890 33.638 31.823 -0.124 0.000 0.999 279 V HN 0.844 nan 8.190 nan 0.000 0.424 280 T N 3.272 117.879 114.554 0.089 0.000 2.812 280 T HA 0.826 5.176 4.350 0.001 0.000 0.282 280 T C 0.153 174.879 174.700 0.043 0.000 0.990 280 T CA -0.309 61.846 62.100 0.092 0.000 0.960 280 T CB 1.712 70.636 68.868 0.094 0.000 0.948 280 T HN 1.127 nan 8.240 nan 0.000 0.438 281 G N 1.315 110.150 108.800 0.059 0.000 2.649 281 G HA2 0.567 4.528 3.960 0.001 0.000 0.290 281 G HA3 0.567 4.528 3.960 0.001 0.000 0.290 281 G C -1.143 173.843 174.900 0.143 0.000 1.426 281 G CA -1.054 44.100 45.100 0.090 0.000 0.794 281 G HN 0.700 nan 8.290 nan 0.000 0.483 282 R N 0.237 120.850 120.500 0.188 0.000 2.494 282 R HA 0.181 4.521 4.340 0.001 0.000 0.291 282 R C 1.752 178.095 176.300 0.072 0.000 0.953 282 R CA 0.725 56.915 56.100 0.150 0.000 1.098 282 R CB 0.461 30.678 30.300 -0.139 0.000 0.911 282 R HN 0.676 nan 8.270 nan 0.000 0.407 283 A N 4.890 127.767 122.820 0.095 0.000 1.884 283 A HA -0.282 4.038 4.320 0.001 0.000 0.219 283 A C 1.714 179.309 177.584 0.019 0.000 1.197 283 A CA 2.061 54.132 52.037 0.056 0.000 0.637 283 A CB -0.419 18.618 19.000 0.062 0.000 0.827 283 A HN 0.889 nan 8.150 nan 0.000 0.450 284 E N -0.434 119.762 120.200 -0.005 0.000 2.118 284 E HA -0.111 4.240 4.350 0.001 0.000 0.195 284 E C 1.966 178.553 176.600 -0.022 0.000 0.992 284 E CA 1.233 57.621 56.400 -0.020 0.000 0.804 284 E CB -0.573 29.102 29.700 -0.043 0.000 0.741 284 E HN 0.384 nan 8.360 nan 0.000 0.458 285 V N 0.572 120.469 119.914 -0.028 0.000 2.307 285 V HA -0.252 3.869 4.120 0.001 0.000 0.245 285 V C 2.148 178.237 176.094 -0.008 0.000 1.045 285 V CA 1.577 63.862 62.300 -0.024 0.000 1.024 285 V CB -0.411 31.394 31.823 -0.030 0.000 0.651 285 V HN 0.318 nan 8.190 nan 0.000 0.449 286 M N -0.338 119.266 119.600 0.005 0.000 2.202 286 M HA -0.168 4.312 4.480 0.001 0.000 0.262 286 M C 1.707 178.012 176.300 0.010 0.000 1.063 286 M CA 1.512 56.819 55.300 0.012 0.000 1.097 286 M CB -1.194 31.422 32.600 0.027 0.000 1.382 286 M HN 0.336 nan 8.290 nan 0.000 0.413 287 D N 0.172 120.576 120.400 0.008 0.000 2.363 287 D HA 0.117 4.757 4.640 0.001 0.000 0.220 287 D C 1.857 178.156 176.300 -0.001 0.000 0.994 287 D CA 0.535 54.539 54.000 0.006 0.000 0.890 287 D CB 0.106 40.910 40.800 0.007 0.000 0.906 287 D HN 0.259 nan 8.370 nan 0.000 0.530 288 A N 0.266 123.083 122.820 -0.006 0.000 1.940 288 A HA -0.106 4.214 4.320 0.001 0.000 0.219 288 A C 1.353 178.932 177.584 -0.009 0.000 1.176 288 A CA 0.592 52.623 52.037 -0.010 0.000 0.631 288 A CB -0.327 18.665 19.000 -0.014 0.000 0.814 288 A HN 0.094 nan 8.150 nan 0.000 0.446 289 V N 0.640 120.550 119.914 -0.007 0.000 2.655 289 V HA 0.347 4.467 4.120 0.001 0.000 0.300 289 V C 1.015 177.107 176.094 -0.004 0.000 1.044 289 V CA -0.387 61.909 62.300 -0.008 0.000 1.095 289 V CB 0.251 32.070 31.823 -0.007 0.000 0.952 289 V HN 0.560 nan 8.190 nan 0.000 0.485 290 A N 8.272 131.089 122.820 -0.006 0.000 2.483 290 A HA 0.435 4.755 4.320 0.001 0.000 0.238 290 A C -1.712 175.872 177.584 -0.001 0.000 1.070 290 A CA -1.014 51.020 52.037 -0.004 0.000 0.770 290 A CB -0.397 18.599 19.000 -0.007 0.000 1.008 290 A HN 0.766 nan 8.150 nan 0.000 0.497 291 P HA 0.148 nan 4.420 nan 0.000 0.262 291 P C 0.822 178.122 177.300 0.000 0.000 1.182 291 P CA 1.483 64.583 63.100 0.001 0.000 0.761 291 P CB 0.534 32.233 31.700 -0.002 0.000 0.795 292 G N 2.648 111.450 108.800 0.004 0.000 2.176 292 G HA2 -0.250 3.710 3.960 0.001 0.000 0.253 292 G HA3 -0.250 3.710 3.960 0.001 0.000 0.253 292 G C 1.042 175.945 174.900 0.005 0.000 0.979 292 G CA 0.219 45.322 45.100 0.004 0.000 0.641 292 G HN 0.769 nan 8.290 nan 0.000 0.530 293 G N -0.373 108.429 108.800 0.003 0.000 2.511 293 G HA2 0.411 4.371 3.960 0.001 0.000 0.217 293 G HA3 0.411 4.371 3.960 0.001 0.000 0.217 293 G C 0.750 175.651 174.900 0.002 0.000 1.133 293 G CA 0.642 45.742 45.100 -0.001 0.000 0.792 293 G HN 0.595 nan 8.290 nan 0.000 0.539 294 L N 0.277 121.507 121.223 0.013 0.000 2.325 294 L HA 0.765 5.105 4.340 0.001 0.000 0.278 294 L C 0.345 177.238 176.870 0.038 0.000 1.023 294 L CA -0.530 54.323 54.840 0.021 0.000 0.811 294 L CB 2.017 44.091 42.059 0.026 0.000 1.249 294 L HN 0.151 nan 8.230 nan 0.000 0.431 295 G N 0.742 109.568 108.800 0.043 0.000 2.377 295 G HA2 0.551 4.512 3.960 0.001 0.000 0.297 295 G HA3 0.551 4.512 3.960 0.001 0.000 0.297 295 G C -1.503 173.433 174.900 0.060 0.000 1.547 295 G CA -0.083 45.054 45.100 0.063 0.000 0.833 295 G HN 0.861 nan 8.290 nan 0.000 0.583 296 G N -1.071 107.779 108.800 0.085 0.000 2.733 296 G HA2 0.577 4.537 3.960 0.001 0.000 0.297 296 G HA3 0.577 4.537 3.960 0.001 0.000 0.297 296 G C 0.453 175.413 174.900 0.099 0.000 1.452 296 G CA 0.772 45.917 45.100 0.075 0.000 0.940 296 G HN 0.833 nan 8.290 nan 0.000 0.547 297 T N 0.890 115.457 114.554 0.022 0.000 2.652 297 T HA -0.155 4.195 4.350 0.001 0.000 0.267 297 T C 1.705 176.528 174.700 0.205 0.000 1.039 297 T CA 1.984 64.091 62.100 0.013 0.000 1.153 297 T CB -0.255 68.456 68.868 -0.263 0.000 0.863 297 T HN 0.485 nan 8.240 nan 0.000 0.428 298 Y N 1.295 121.730 120.300 0.224 0.000 2.523 298 Y HA 0.554 5.105 4.550 0.000 0.000 0.279 298 Y C 1.524 177.580 175.900 0.261 0.000 1.139 298 Y CA -1.192 57.062 58.100 0.257 0.000 1.296 298 Y CB -0.995 37.551 38.460 0.145 0.000 1.045 298 Y HN 0.129 nan 8.280 nan 0.000 0.538 299 A N 0.962 123.998 122.820 0.361 0.000 2.608 299 A HA 0.253 4.573 4.320 0.001 0.000 0.246 299 A C 1.605 179.401 177.584 0.353 0.000 0.998 299 A CA 1.030 53.239 52.037 0.287 0.000 0.796 299 A CB -0.979 18.170 19.000 0.248 0.000 0.895 299 A HN 1.027 nan 8.150 nan 0.000 0.508 300 G N 2.693 111.601 108.800 0.181 0.000 2.350 300 G HA2 -0.292 3.669 3.960 0.001 0.000 0.298 300 G HA3 -0.292 3.669 3.960 0.001 0.000 0.298 300 G C 0.208 175.329 174.900 0.369 0.000 1.037 300 G CA 0.336 45.494 45.100 0.097 0.000 1.074 300 G HN 1.354 nan 8.290 nan 0.000 0.511 301 N N 0.482 119.352 118.700 0.283 0.000 2.359 301 N HA 0.055 4.795 4.740 0.001 0.000 0.261 301 N C -0.270 175.337 175.510 0.162 0.000 1.267 301 N CA -0.505 52.695 53.050 0.249 0.000 0.864 301 N CB 0.864 39.453 38.487 0.171 0.000 1.063 301 N HN 0.080 nan 8.380 nan 0.000 0.474 302 P HA -0.198 nan 4.420 nan 0.000 0.217 302 P C 1.445 178.735 177.300 -0.017 0.000 1.162 302 P CA 1.571 64.608 63.100 -0.106 0.000 0.901 302 P CB 0.194 31.667 31.700 -0.378 0.000 0.793 303 I N -1.307 119.248 120.570 -0.025 0.000 2.226 303 I HA -0.241 3.929 4.170 0.001 0.000 0.245 303 I C 2.287 178.346 176.117 -0.095 0.000 1.100 303 I CA 1.468 62.734 61.300 -0.057 0.000 1.374 303 I CB -0.676 37.309 38.000 -0.025 0.000 1.057 303 I HN -0.084 nan 8.210 nan 0.000 0.413 304 A N -0.334 122.490 122.820 0.006 0.000 1.969 304 A HA -0.194 4.126 4.320 0.001 0.000 0.218 304 A C 2.425 180.013 177.584 0.008 0.000 1.169 304 A CA 1.467 53.526 52.037 0.037 0.000 0.635 304 A CB -1.062 18.018 19.000 0.133 0.000 0.810 304 A HN 0.524 nan 8.150 nan 0.000 0.445 305 C N -0.865 118.454 119.300 0.033 0.000 2.436 305 C HA -0.089 4.371 4.460 0.001 0.000 0.277 305 C C 2.880 177.871 174.990 0.002 0.000 1.241 305 C CA 1.277 60.317 59.018 0.037 0.000 1.721 305 C CB -1.282 26.526 27.740 0.114 0.000 2.043 305 C HN 0.679 nan 8.230 nan 0.000 0.472 306 V N 0.813 120.716 119.914 -0.018 0.000 2.490 306 V HA -0.058 4.063 4.120 0.001 0.000 0.250 306 V C 2.395 178.434 176.094 -0.092 0.000 1.061 306 V CA 2.168 64.443 62.300 -0.041 0.000 1.064 306 V CB -1.432 30.363 31.823 -0.047 0.000 0.670 306 V HN 0.430 nan 8.190 nan 0.000 0.461 307 A N 0.815 123.536 122.820 -0.166 0.000 1.902 307 A HA 0.098 4.418 4.320 0.001 0.000 0.217 307 A C 2.525 180.063 177.584 -0.077 0.000 1.181 307 A CA 2.342 54.246 52.037 -0.221 0.000 0.623 307 A CB -1.100 17.611 19.000 -0.481 0.000 0.818 307 A HN 0.973 nan 8.150 nan 0.000 0.443 308 A N -0.234 122.566 122.820 -0.034 0.000 1.902 308 A HA -0.023 4.298 4.320 0.001 0.000 0.217 308 A C 2.151 179.719 177.584 -0.027 0.000 1.181 308 A CA 1.456 53.489 52.037 -0.007 0.000 0.623 308 A CB -0.641 18.365 19.000 0.009 0.000 0.818 308 A HN 0.462 nan 8.150 nan 0.000 0.443 309 L N -0.944 120.262 121.223 -0.028 0.000 2.083 309 L HA -0.196 4.144 4.340 0.001 0.000 0.209 309 L C 2.626 179.481 176.870 -0.025 0.000 1.083 309 L CA 1.694 56.519 54.840 -0.026 0.000 0.752 309 L CB -0.360 41.692 42.059 -0.011 0.000 0.899 309 L HN 0.415 nan 8.230 nan 0.000 0.433 310 E N -0.134 120.046 120.200 -0.034 0.000 2.112 310 E HA -0.122 4.228 4.350 0.001 0.000 0.190 310 E C 2.135 178.708 176.600 -0.046 0.000 0.979 310 E CA 0.760 57.136 56.400 -0.040 0.000 0.814 310 E CB -0.038 29.632 29.700 -0.051 0.000 0.762 310 E HN 0.151 nan 8.360 nan 0.000 0.460 311 V N 0.710 120.609 119.914 -0.026 0.000 2.392 311 V HA -0.251 3.869 4.120 0.001 0.000 0.249 311 V C 2.307 178.475 176.094 0.124 0.000 1.059 311 V CA 1.570 63.883 62.300 0.022 0.000 1.051 311 V CB -0.421 31.445 31.823 0.072 0.000 0.658 311 V HN 0.307 nan 8.190 nan 0.000 0.455 312 L N -0.798 120.453 121.223 0.047 0.000 2.109 312 L HA -0.147 4.194 4.340 0.001 0.000 0.207 312 L C 2.544 179.449 176.870 0.059 0.000 1.086 312 L CA 1.512 56.373 54.840 0.035 0.000 0.760 312 L CB -0.542 41.485 42.059 -0.053 0.000 0.910 312 L HN 0.258 nan 8.230 nan 0.000 0.437 313 K N -0.336 120.074 120.400 0.016 0.000 2.057 313 K HA -0.123 4.197 4.320 0.001 0.000 0.207 313 K C 2.053 178.652 176.600 -0.002 0.000 1.049 313 K CA 1.126 57.416 56.287 0.005 0.000 0.931 313 K CB -0.232 32.263 32.500 -0.009 0.000 0.714 313 K HN 0.073 nan 8.250 nan 0.000 0.440 314 V N 0.940 120.825 119.914 -0.048 0.000 2.332 314 V HA -0.243 3.877 4.120 0.001 0.000 0.248 314 V C 1.957 177.982 176.094 -0.115 0.000 1.055 314 V CA 1.715 63.928 62.300 -0.145 0.000 1.038 314 V CB -0.529 31.060 31.823 -0.390 0.000 0.651 314 V HN 0.179 nan 8.190 nan 0.000 0.450 315 F N 0.486 120.367 119.950 -0.115 0.000 2.126 315 F HA -0.213 4.314 4.527 0.000 0.000 0.299 315 F C 2.491 178.251 175.800 -0.067 0.000 1.096 315 F CA 2.200 60.144 58.000 -0.093 0.000 1.255 315 F CB -0.172 38.763 39.000 -0.107 0.000 0.997 315 F HN 0.190 nan 8.300 nan 0.000 0.479 316 E N 0.161 120.435 120.200 0.122 0.000 2.033 316 E HA -0.171 4.179 4.350 0.001 0.000 0.189 316 E C 2.055 178.668 176.600 0.023 0.000 0.979 316 E CA 1.433 57.869 56.400 0.060 0.000 0.802 316 E CB -0.329 29.394 29.700 0.038 0.000 0.763 316 E HN 0.423 nan 8.360 nan 0.000 0.449 317 Q N -0.094 119.710 119.800 0.008 0.000 2.170 317 Q HA -0.109 4.231 4.340 0.001 0.000 0.203 317 Q C 1.142 177.136 176.000 -0.009 0.000 0.976 317 Q CA 1.411 57.214 55.803 -0.000 0.000 0.858 317 Q CB 0.011 28.749 28.738 0.001 0.000 0.907 317 Q HN 0.380 nan 8.270 nan 0.000 0.433 318 E N 0.417 120.597 120.200 -0.032 0.000 2.499 318 E HA 0.072 4.422 4.350 0.001 0.000 0.199 318 E C -0.590 175.976 176.600 -0.056 0.000 1.016 318 E CA -0.341 56.033 56.400 -0.044 0.000 0.933 318 E CB 0.343 30.008 29.700 -0.060 0.000 1.050 318 E HN 0.232 nan 8.360 nan 0.000 0.462 319 N N 1.392 120.075 118.700 -0.029 0.000 2.698 319 N HA -0.226 4.515 4.740 0.001 0.000 0.258 319 N C 0.633 176.122 175.510 -0.035 0.000 0.978 319 N CA 0.518 53.562 53.050 -0.010 0.000 0.777 319 N CB -1.009 37.475 38.487 -0.005 0.000 0.907 319 N HN 0.391 nan 8.380 nan 0.000 0.543 320 L N -0.477 120.687 121.223 -0.099 0.000 2.275 320 L HA -0.094 4.247 4.340 0.001 0.000 0.215 320 L C 2.342 179.219 176.870 0.012 0.000 1.119 320 L CA 0.807 55.531 54.840 -0.194 0.000 0.790 320 L CB -0.158 41.441 42.059 -0.766 0.000 0.919 320 L HN 0.347 nan 8.230 nan 0.000 0.443 321 L N -0.595 120.718 121.223 0.151 0.000 2.093 321 L HA -0.222 4.118 4.340 0.001 0.000 0.208 321 L C 2.667 179.569 176.870 0.053 0.000 1.085 321 L CA 1.046 55.968 54.840 0.137 0.000 0.755 321 L CB -0.327 41.795 42.059 0.105 0.000 0.904 321 L HN 0.289 nan 8.230 nan 0.000 0.435 322 Q N 0.713 120.531 119.800 0.031 0.000 2.049 322 Q HA -0.174 4.167 4.340 0.001 0.000 0.198 322 Q C 2.088 178.088 176.000 0.001 0.000 0.971 322 Q CA 1.652 57.463 55.803 0.012 0.000 0.833 322 Q CB 0.017 28.759 28.738 0.007 0.000 0.896 322 Q HN 0.250 nan 8.270 nan 0.000 0.434 323 K N -0.284 120.108 120.400 -0.013 0.000 2.211 323 K HA -0.100 4.220 4.320 0.001 0.000 0.204 323 K C 1.963 178.548 176.600 -0.023 0.000 1.047 323 K CA 0.919 57.191 56.287 -0.025 0.000 0.935 323 K CB -0.211 32.260 32.500 -0.049 0.000 0.728 323 K HN 0.283 nan 8.250 nan 0.000 0.452 324 A N 2.238 125.052 122.820 -0.011 0.000 1.858 324 A HA -0.204 4.117 4.320 0.001 0.000 0.216 324 A C 1.837 179.418 177.584 -0.005 0.000 1.190 324 A CA 1.602 53.637 52.037 -0.004 0.000 0.617 324 A CB -0.495 18.525 19.000 0.033 0.000 0.827 324 A HN 0.246 nan 8.150 nan 0.000 0.443 325 N N 0.586 119.287 118.700 0.002 0.000 2.104 325 N HA -0.149 4.591 4.740 0.001 0.000 0.190 325 N C 1.108 176.618 175.510 -0.001 0.000 1.024 325 N CA 1.701 54.752 53.050 0.002 0.000 0.853 325 N CB -0.498 37.992 38.487 0.005 0.000 1.008 325 N HN 0.466 nan 8.380 nan 0.000 0.424 326 D N 0.916 121.315 120.400 -0.003 0.000 2.117 326 D HA -0.092 4.548 4.640 0.001 0.000 0.198 326 D C 2.103 178.399 176.300 -0.007 0.000 0.982 326 D CA 0.265 54.263 54.000 -0.003 0.000 0.828 326 D CB -0.401 40.396 40.800 -0.004 0.000 0.967 326 D HN 0.131 nan 8.370 nan 0.000 0.464 327 L N 1.191 122.404 121.223 -0.017 0.000 2.042 327 L HA -0.015 4.325 4.340 0.001 0.000 0.210 327 L C 2.159 179.016 176.870 -0.022 0.000 1.076 327 L CA 2.201 57.024 54.840 -0.028 0.000 0.749 327 L CB -1.065 40.963 42.059 -0.051 0.000 0.893 327 L HN 0.055 nan 8.230 nan 0.000 0.432 328 G N -1.341 107.450 108.800 -0.015 0.000 2.446 328 G HA2 -0.367 3.594 3.960 0.001 0.000 0.217 328 G HA3 -0.367 3.594 3.960 0.001 0.000 0.217 328 G C 1.508 176.412 174.900 0.007 0.000 1.168 328 G CA 0.921 46.020 45.100 -0.002 0.000 0.771 328 G HN 0.477 nan 8.290 nan 0.000 0.551 329 Q N 0.627 120.431 119.800 0.006 0.000 2.050 329 Q HA 0.007 4.348 4.340 0.001 0.000 0.202 329 Q C 2.526 178.532 176.000 0.012 0.000 0.980 329 Q CA 1.623 57.432 55.803 0.010 0.000 0.840 329 Q CB -0.281 28.462 28.738 0.009 0.000 0.898 329 Q HN 0.496 nan 8.270 nan 0.000 0.424 330 K N -0.316 120.089 120.400 0.009 0.000 2.097 330 K HA -0.116 4.204 4.320 0.001 0.000 0.206 330 K C 2.127 178.739 176.600 0.021 0.000 1.049 330 K CA 1.277 57.573 56.287 0.014 0.000 0.933 330 K CB -0.208 32.300 32.500 0.013 0.000 0.717 330 K HN 0.235 nan 8.250 nan 0.000 0.442 331 L N 1.071 122.305 121.223 0.018 0.000 2.027 331 L HA -0.202 4.138 4.340 0.001 0.000 0.206 331 L C 2.344 179.231 176.870 0.028 0.000 1.074 331 L CA 1.440 56.298 54.840 0.029 0.000 0.745 331 L CB -0.346 41.721 42.059 0.015 0.000 0.898 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 K N -0.150 120.264 120.400 0.023 0.000 2.063 332 K HA -0.188 4.133 4.320 0.001 0.000 0.208 332 K C 1.747 178.357 176.600 0.017 0.000 1.048 332 K CA 1.569 57.869 56.287 0.022 0.000 0.928 332 K CB -0.214 32.301 32.500 0.025 0.000 0.713 332 K HN 0.294 nan 8.250 nan 0.000 0.442 333 D N 0.115 120.524 120.400 0.016 0.000 2.104 333 D HA -0.133 4.507 4.640 0.001 0.000 0.194 333 D C 1.987 178.293 176.300 0.011 0.000 0.994 333 D CA 1.537 55.545 54.000 0.013 0.000 0.830 333 D CB -0.455 40.354 40.800 0.014 0.000 0.959 333 D HN 0.380 nan 8.370 nan 0.000 0.452 334 G N 0.380 109.190 108.800 0.015 0.000 2.422 334 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 334 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 334 G C 1.818 176.716 174.900 -0.003 0.000 1.140 334 G CA 0.101 45.209 45.100 0.014 0.000 0.775 334 G HN 0.231 nan 8.290 nan 0.000 0.545 335 L N -0.264 120.955 121.223 -0.006 0.000 2.131 335 L HA 0.149 4.489 4.340 0.001 0.000 0.206 335 L C 2.769 179.612 176.870 -0.046 0.000 1.087 335 L CA 0.283 55.099 54.840 -0.040 0.000 0.767 335 L CB -0.222 41.823 42.059 -0.024 0.000 0.917 335 L HN 0.160 nan 8.230 nan 0.000 0.441 336 L N -0.546 120.667 121.223 -0.016 0.000 2.141 336 L HA -0.156 4.185 4.340 0.001 0.000 0.209 336 L C 2.851 179.715 176.870 -0.010 0.000 1.094 336 L CA 0.925 55.760 54.840 -0.007 0.000 0.763 336 L CB -0.616 41.447 42.059 0.007 0.000 0.908 336 L HN 0.236 nan 8.230 nan 0.000 0.437 337 A N 0.595 123.410 122.820 -0.008 0.000 1.883 337 A HA -0.210 4.110 4.320 0.001 0.000 0.217 337 A C 2.169 179.750 177.584 -0.005 0.000 1.186 337 A CA 1.675 53.710 52.037 -0.003 0.000 0.624 337 A CB -0.677 18.325 19.000 0.002 0.000 0.822 337 A HN 0.361 nan 8.150 nan 0.000 0.444 338 I N -0.252 120.305 120.570 -0.022 0.000 2.315 338 I HA -0.246 3.924 4.170 0.001 0.000 0.248 338 I C 2.890 179.007 176.117 0.000 0.000 1.117 338 I CA 0.883 62.173 61.300 -0.017 0.000 1.404 338 I CB -0.340 37.577 38.000 -0.139 0.000 1.071 338 I HN 0.358 nan 8.210 nan 0.000 0.419 339 A N 0.520 123.311 122.820 -0.048 0.000 1.978 339 A HA -0.223 4.097 4.320 0.001 0.000 0.220 339 A C 2.177 179.768 177.584 0.012 0.000 1.170 339 A CA 1.572 53.596 52.037 -0.021 0.000 0.636 339 A CB -0.537 18.455 19.000 -0.014 0.000 0.810 339 A HN 0.456 nan 8.150 nan 0.000 0.448 340 E N -0.802 119.397 120.200 -0.002 0.000 2.204 340 E HA -0.169 4.182 4.350 0.001 0.000 0.194 340 E C 1.889 178.460 176.600 -0.050 0.000 0.989 340 E CA 1.238 57.629 56.400 -0.014 0.000 0.824 340 E CB -0.043 29.649 29.700 -0.013 0.000 0.756 340 E HN 0.686 nan 8.360 nan 0.000 0.477 341 K N 0.106 120.454 120.400 -0.086 0.000 2.361 341 K HA -0.001 4.320 4.320 0.001 0.000 0.194 341 K C -0.147 176.135 176.600 -0.530 0.000 1.032 341 K CA 0.307 56.426 56.287 -0.279 0.000 1.048 341 K CB 0.518 32.831 32.500 -0.310 0.000 0.842 341 K HN 0.066 nan 8.250 nan 0.000 0.526 342 H N 0.062 119.142 119.070 0.017 0.000 3.092 342 H HA 0.166 4.723 4.556 0.000 0.000 0.308 342 H C -2.410 172.955 175.328 0.062 0.000 1.047 342 H CA -1.889 54.199 56.048 0.066 0.000 1.466 342 H CB 2.005 31.842 29.762 0.125 0.000 1.597 342 H HN -0.033 nan 8.280 nan 0.000 0.512 343 P HA -0.143 nan 4.420 nan 0.000 0.219 343 P C 1.133 178.536 177.300 0.172 0.000 1.146 343 P CA 1.025 64.196 63.100 0.117 0.000 0.808 343 P CB 0.565 32.310 31.700 0.075 0.000 0.779 344 E N -0.220 120.114 120.200 0.223 0.000 2.171 344 E HA -0.138 4.212 4.350 0.001 0.000 0.197 344 E C 0.751 177.519 176.600 0.280 0.000 0.997 344 E CA 0.702 57.256 56.400 0.257 0.000 0.810 344 E CB -0.914 28.955 29.700 0.282 0.000 0.738 344 E HN 0.329 nan 8.360 nan 0.000 0.467 345 I N 1.425 122.132 120.570 0.227 0.000 2.349 345 I HA 0.027 4.197 4.170 0.001 0.000 0.302 345 I C 1.289 177.546 176.117 0.233 0.000 1.180 345 I CA -0.053 61.347 61.300 0.167 0.000 1.405 345 I CB 0.394 38.396 38.000 0.003 0.000 1.474 345 I HN 0.077 nan 8.210 nan 0.000 0.632 346 G N 3.794 112.851 108.800 0.428 0.000 2.920 346 G HA2 -0.034 3.926 3.960 0.001 0.000 0.208 346 G HA3 -0.034 3.926 3.960 0.001 0.000 0.208 346 G C 0.038 175.197 174.900 0.431 0.000 1.159 346 G CA 0.257 45.673 45.100 0.527 0.000 0.784 346 G HN 0.605 nan 8.290 nan 0.000 0.535 347 D N -1.210 119.372 120.400 0.303 0.000 2.746 347 D HA 0.254 4.894 4.640 0.001 0.000 0.211 347 D C -1.378 174.998 176.300 0.126 0.000 1.242 347 D CA -0.395 53.725 54.000 0.200 0.000 0.790 347 D CB 1.503 42.438 40.800 0.225 0.000 1.744 347 D HN -0.119 nan 8.370 nan 0.000 0.520 348 V N 4.274 124.242 119.914 0.090 0.000 2.487 348 V HA 0.799 4.919 4.120 0.001 0.000 0.298 348 V C 0.059 176.197 176.094 0.072 0.000 1.028 348 V CA -0.478 61.859 62.300 0.063 0.000 0.860 348 V CB 1.497 33.344 31.823 0.040 0.000 0.991 348 V HN 0.675 nan 8.190 nan 0.000 0.427 349 R N 3.032 123.580 120.500 0.079 0.000 2.766 349 R HA 0.966 5.306 4.340 0.001 0.000 0.270 349 R C -0.336 176.025 176.300 0.101 0.000 1.035 349 R CA -0.651 55.504 56.100 0.091 0.000 0.911 349 R CB 2.166 32.537 30.300 0.120 0.000 1.243 349 R HN 1.215 nan 8.270 nan 0.000 0.460 350 G N 0.347 109.201 108.800 0.090 0.000 2.307 350 G HA2 0.211 4.171 3.960 0.001 0.000 0.348 350 G HA3 0.211 4.171 3.960 0.001 0.000 0.348 350 G C -1.673 173.249 174.900 0.037 0.000 1.603 350 G CA -1.082 44.064 45.100 0.076 0.000 0.961 350 G HN 0.397 nan 8.290 nan 0.000 0.686 351 L N 1.948 123.174 121.223 0.005 0.000 2.309 351 L HA 0.631 4.971 4.340 0.001 0.000 0.282 351 L C 1.600 178.460 176.870 -0.016 0.000 1.036 351 L CA 0.540 55.377 54.840 -0.004 0.000 0.806 351 L CB 1.189 43.239 42.059 -0.015 0.000 1.220 351 L HN 1.839 nan 8.230 nan 0.000 0.429 352 G N 2.957 111.754 108.800 -0.006 0.000 2.651 352 G HA2 -0.390 3.570 3.960 0.001 0.000 0.315 352 G HA3 -0.390 3.570 3.960 0.001 0.000 0.315 352 G C 0.585 175.481 174.900 -0.007 0.000 1.258 352 G CA 0.484 45.579 45.100 -0.008 0.000 1.002 352 G HN 0.924 nan 8.290 nan 0.000 0.551 353 A N -0.715 122.096 122.820 -0.015 0.000 2.460 353 A HA 0.680 5.000 4.320 0.001 0.000 0.258 353 A C 1.153 178.741 177.584 0.006 0.000 1.300 353 A CA 1.045 53.075 52.037 -0.013 0.000 0.913 353 A CB -0.042 18.942 19.000 -0.028 0.000 1.031 353 A HN 0.862 nan 8.150 nan 0.000 0.512 354 M N 1.983 121.572 119.600 -0.019 0.000 3.347 354 M HA 0.327 4.807 4.480 0.001 0.000 0.260 354 M C -1.356 175.036 176.300 0.153 0.000 1.362 354 M CA -0.139 55.123 55.300 -0.065 0.000 1.497 354 M CB -0.329 32.059 32.600 -0.353 0.000 1.080 354 M HN 0.074 nan 8.290 nan 0.000 0.592 355 I N 2.193 122.933 120.570 0.282 0.000 2.498 355 I HA 0.777 4.948 4.170 0.001 0.000 0.301 355 I C 0.111 176.358 176.117 0.217 0.000 0.984 355 I CA -0.618 60.820 61.300 0.230 0.000 1.204 355 I CB 1.115 39.173 38.000 0.096 0.000 1.362 355 I HN 0.594 nan 8.210 nan 0.000 0.471 356 A N 6.500 129.393 122.820 0.122 0.000 2.610 356 A HA 0.879 5.199 4.320 0.001 0.000 0.291 356 A C -1.083 176.491 177.584 -0.017 0.000 1.086 356 A CA -0.553 51.453 52.037 -0.051 0.000 0.677 356 A CB 2.058 20.923 19.000 -0.226 0.000 1.278 356 A HN 0.674 nan 8.150 nan 0.000 0.414 357 I N -1.927 118.614 120.570 -0.048 0.000 2.730 357 I HA 0.836 5.007 4.170 0.001 0.000 0.298 357 I C -0.653 175.444 176.117 -0.034 0.000 1.089 357 I CA -0.551 60.744 61.300 -0.008 0.000 1.041 357 I CB 2.186 40.182 38.000 -0.006 0.000 1.235 357 I HN 0.757 nan 8.210 nan 0.000 0.423 358 E N 5.376 125.570 120.200 -0.011 0.000 2.212 358 E HA 0.644 4.994 4.350 0.001 0.000 0.268 358 E C -1.714 174.761 176.600 -0.209 0.000 0.902 358 E CA -0.855 55.468 56.400 -0.128 0.000 0.779 358 E CB 2.070 31.714 29.700 -0.093 0.000 1.172 358 E HN 0.685 nan 8.360 nan 0.000 0.409 359 L N 4.495 125.529 121.223 -0.314 0.000 2.317 359 L HA 0.553 4.893 4.340 0.001 0.000 0.281 359 L C -0.874 175.765 176.870 -0.386 0.000 1.024 359 L CA -0.781 53.947 54.840 -0.186 0.000 0.810 359 L CB 0.749 42.813 42.059 0.008 0.000 1.240 359 L HN 0.537 nan 8.230 nan 0.000 0.427 360 F N -0.279 119.760 119.950 0.149 0.000 2.577 360 F HA 0.369 4.896 4.527 0.001 0.000 0.318 360 F C 0.259 176.110 175.800 0.084 0.000 1.065 360 F CA -0.924 57.151 58.000 0.125 0.000 0.929 360 F CB 1.569 40.654 39.000 0.143 0.000 1.237 360 F HN 0.385 nan 8.300 nan 0.000 0.468 361 E N 0.986 121.340 120.200 0.256 0.000 2.166 361 E HA 0.150 4.500 4.350 0.001 0.000 0.279 361 E C -1.163 175.508 176.600 0.118 0.000 1.095 361 E CA 0.040 56.527 56.400 0.145 0.000 0.888 361 E CB 0.045 29.805 29.700 0.100 0.000 1.041 361 E HN 0.541 nan 8.360 nan 0.000 0.414 362 D N 2.771 123.230 120.400 0.099 0.000 2.705 362 D HA -0.175 4.465 4.640 0.001 0.000 0.240 362 D C 0.887 177.200 176.300 0.022 0.000 1.137 362 D CA 1.062 55.095 54.000 0.056 0.000 0.677 362 D CB -1.289 39.528 40.800 0.028 0.000 1.049 362 D HN 0.901 nan 8.370 nan 0.000 0.427 363 G N 0.414 109.250 108.800 0.061 0.000 2.256 363 G HA2 -0.392 3.569 3.960 0.001 0.000 0.279 363 G HA3 -0.392 3.569 3.960 0.001 0.000 0.279 363 G C 0.120 174.840 174.900 -0.300 0.000 0.998 363 G CA 0.510 45.578 45.100 -0.054 0.000 0.720 363 G HN 0.640 nan 8.290 nan 0.000 0.521 364 D N 0.193 120.504 120.400 -0.148 0.000 2.359 364 D HA 0.179 4.819 4.640 0.001 0.000 0.250 364 D C 1.471 177.624 176.300 -0.246 0.000 1.264 364 D CA -0.548 53.333 54.000 -0.198 0.000 0.911 364 D CB 0.029 40.801 40.800 -0.047 0.000 1.056 364 D HN 0.350 nan 8.370 nan 0.000 0.499 365 H N 2.809 121.595 119.070 -0.473 0.000 2.561 365 H HA -0.099 4.457 4.556 0.000 0.000 0.289 365 H C 0.635 175.883 175.328 -0.132 0.000 1.054 365 H CA 0.748 56.320 56.048 -0.794 0.000 1.210 365 H CB 0.034 29.407 29.762 -0.648 0.000 1.353 365 H HN 0.474 nan 8.280 nan 0.000 0.601 366 N N 0.100 118.849 118.700 0.081 0.000 2.282 366 N HA 0.019 4.760 4.740 0.001 0.000 0.185 366 N C 0.037 175.618 175.510 0.118 0.000 1.099 366 N CA 0.168 53.285 53.050 0.111 0.000 0.878 366 N CB 0.645 39.158 38.487 0.043 0.000 0.993 366 N HN 0.101 nan 8.380 nan 0.000 0.481 367 K N 1.292 121.803 120.400 0.186 0.000 2.459 367 K HA 0.292 4.612 4.320 0.001 0.000 0.218 367 K C -2.736 174.019 176.600 0.257 0.000 1.067 367 K CA -1.740 54.643 56.287 0.160 0.000 1.045 367 K CB 1.280 33.847 32.500 0.112 0.000 1.623 367 K HN -0.072 nan 8.250 nan 0.000 0.509 368 P HA -0.088 nan 4.420 nan 0.000 0.261 368 P C -0.558 176.784 177.300 0.071 0.000 1.203 368 P CA 0.073 63.251 63.100 0.129 0.000 0.767 368 P CB 0.387 32.136 31.700 0.082 0.000 0.785 369 D N 3.674 124.094 120.400 0.033 0.000 2.608 369 D HA 0.157 4.797 4.640 0.001 0.000 0.224 369 D C 1.299 177.609 176.300 0.017 0.000 1.123 369 D CA -0.017 54.003 54.000 0.034 0.000 1.030 369 D CB 0.001 40.827 40.800 0.044 0.000 1.093 369 D HN 0.224 nan 8.370 nan 0.000 0.497 370 A N 3.223 126.074 122.820 0.051 0.000 1.930 370 A HA -0.169 4.151 4.320 0.001 0.000 0.217 370 A C 2.111 179.701 177.584 0.009 0.000 1.175 370 A CA 1.058 53.136 52.037 0.069 0.000 0.627 370 A CB -0.051 19.043 19.000 0.157 0.000 0.815 370 A HN 0.378 nan 8.150 nan 0.000 0.443 371 K N -0.922 119.476 120.400 -0.004 0.000 2.026 371 K HA -0.127 4.194 4.320 0.001 0.000 0.208 371 K C 1.926 178.492 176.600 -0.057 0.000 1.048 371 K CA 1.420 57.687 56.287 -0.033 0.000 0.929 371 K CB -0.369 32.116 32.500 -0.026 0.000 0.713 371 K HN 0.395 nan 8.250 nan 0.000 0.439 372 L N 1.395 122.585 121.223 -0.056 0.000 2.046 372 L HA -0.168 4.173 4.340 0.001 0.000 0.208 372 L C 1.987 178.771 176.870 -0.144 0.000 1.077 372 L CA 1.946 56.723 54.840 -0.106 0.000 0.747 372 L CB -0.846 41.165 42.059 -0.081 0.000 0.896 372 L HN 0.125 nan 8.230 nan 0.000 0.432 373 T N 0.103 114.603 114.554 -0.089 0.000 2.635 373 T HA -0.233 4.117 4.350 0.001 0.000 0.267 373 T C 1.919 176.563 174.700 -0.093 0.000 1.040 373 T CA 1.671 63.723 62.100 -0.081 0.000 1.156 373 T CB -0.718 68.129 68.868 -0.035 0.000 0.863 373 T HN 0.543 nan 8.240 nan 0.000 0.430 374 A N 1.169 123.940 122.820 -0.081 0.000 1.908 374 A HA -0.179 4.141 4.320 0.001 0.000 0.218 374 A C 2.225 179.748 177.584 -0.101 0.000 1.181 374 A CA 2.043 54.026 52.037 -0.090 0.000 0.627 374 A CB -0.676 18.270 19.000 -0.091 0.000 0.818 374 A HN 0.639 nan 8.150 nan 0.000 0.445 375 E N -0.419 119.711 120.200 -0.117 0.000 2.077 375 E HA -0.174 4.176 4.350 0.001 0.000 0.193 375 E C 1.836 178.342 176.600 -0.157 0.000 0.989 375 E CA 1.228 57.551 56.400 -0.129 0.000 0.800 375 E CB -0.128 29.486 29.700 -0.142 0.000 0.746 375 E HN 0.500 nan 8.360 nan 0.000 0.452 376 I N 0.892 121.331 120.570 -0.219 0.000 2.226 376 I HA -0.228 3.942 4.170 0.001 0.000 0.245 376 I C 2.490 178.539 176.117 -0.114 0.000 1.100 376 I CA 0.827 61.979 61.300 -0.246 0.000 1.374 376 I CB -1.106 36.685 38.000 -0.349 0.000 1.057 376 I HN 0.106 nan 8.210 nan 0.000 0.413 377 V N 1.359 121.229 119.914 -0.074 0.000 2.295 377 V HA -0.275 3.845 4.120 0.001 0.000 0.246 377 V C 2.840 178.944 176.094 0.017 0.000 1.049 377 V CA 1.907 64.202 62.300 -0.008 0.000 1.024 377 V CB -1.139 30.671 31.823 -0.022 0.000 0.648 377 V HN 0.463 nan 8.190 nan 0.000 0.447 378 A N -0.213 122.591 122.820 -0.027 0.000 1.883 378 A HA -0.256 4.065 4.320 0.001 0.000 0.217 378 A C 2.372 179.951 177.584 -0.009 0.000 1.186 378 A CA 2.051 54.080 52.037 -0.013 0.000 0.624 378 A CB -0.532 18.443 19.000 -0.043 0.000 0.822 378 A HN 0.510 nan 8.150 nan 0.000 0.444 379 R N -0.741 119.732 120.500 -0.045 0.000 2.081 379 R HA -0.059 4.281 4.340 0.001 0.000 0.235 379 R C 2.499 178.777 176.300 -0.037 0.000 1.131 379 R CA 1.168 57.238 56.100 -0.050 0.000 0.960 379 R CB -0.453 29.795 30.300 -0.087 0.000 0.856 379 R HN 0.520 nan 8.270 nan 0.000 0.436 380 A N 1.190 123.989 122.820 -0.036 0.000 1.933 380 A HA -0.198 4.123 4.320 0.001 0.000 0.218 380 A C 2.121 179.692 177.584 -0.021 0.000 1.175 380 A CA 1.338 53.350 52.037 -0.041 0.000 0.628 380 A CB -0.502 18.472 19.000 -0.043 0.000 0.814 380 A HN 0.238 nan 8.150 nan 0.000 0.444 381 R N -0.311 120.206 120.500 0.028 0.000 2.081 381 R HA -0.172 4.168 4.340 0.001 0.000 0.235 381 R C 1.134 177.477 176.300 0.072 0.000 1.131 381 R CA 1.832 57.975 56.100 0.072 0.000 0.960 381 R CB -0.393 29.994 30.300 0.146 0.000 0.856 381 R HN 0.407 nan 8.270 nan 0.000 0.436 382 D N 0.483 120.902 120.400 0.032 0.000 2.218 382 D HA -0.113 4.528 4.640 0.001 0.000 0.204 382 D C 0.990 177.273 176.300 -0.029 0.000 0.976 382 D CA 1.208 55.212 54.000 0.008 0.000 0.853 382 D CB 0.072 40.868 40.800 -0.007 0.000 0.939 382 D HN 0.301 nan 8.370 nan 0.000 0.481 383 K N -0.609 119.766 120.400 -0.041 0.000 2.387 383 K HA 0.241 4.561 4.320 0.001 0.000 0.198 383 K C 0.900 177.434 176.600 -0.109 0.000 1.022 383 K CA 0.303 56.545 56.287 -0.074 0.000 1.128 383 K CB 0.970 33.428 32.500 -0.071 0.000 0.853 383 K HN 0.075 nan 8.250 nan 0.000 0.523 384 G N 1.875 110.616 108.800 -0.097 0.000 2.136 384 G HA2 -0.240 3.720 3.960 0.001 0.000 0.242 384 G HA3 -0.240 3.720 3.960 0.001 0.000 0.242 384 G C -0.405 174.467 174.900 -0.048 0.000 0.989 384 G CA -0.098 44.913 45.100 -0.150 0.000 0.682 384 G HN 0.234 nan 8.290 nan 0.000 0.522 385 L N 1.621 122.806 121.223 -0.062 0.000 2.305 385 L HA 0.721 5.061 4.340 0.001 0.000 0.284 385 L C -0.053 176.744 176.870 -0.121 0.000 1.013 385 L CA -1.317 53.433 54.840 -0.150 0.000 0.819 385 L CB 0.897 42.793 42.059 -0.272 0.000 1.227 385 L HN 0.056 nan 8.230 nan 0.000 0.417 386 I N 6.888 127.376 120.570 -0.138 0.000 2.312 386 I HA 0.316 4.486 4.170 0.001 0.000 0.291 386 I C -0.038 176.046 176.117 -0.056 0.000 1.031 386 I CA -0.006 61.148 61.300 -0.243 0.000 1.293 386 I CB 0.475 38.299 38.000 -0.293 0.000 1.403 386 I HN 0.601 nan 8.210 nan 0.000 0.484 387 L N 6.674 127.912 121.223 0.025 0.000 2.283 387 L HA 0.678 5.018 4.340 0.001 0.000 0.259 387 L C -0.598 176.363 176.870 0.153 0.000 1.027 387 L CA -0.889 54.016 54.840 0.107 0.000 0.828 387 L CB 2.622 44.728 42.059 0.078 0.000 1.380 387 L HN 0.302 nan 8.230 nan 0.000 0.425 388 L N 0.042 121.303 121.223 0.063 0.000 2.409 388 L HA 0.554 4.895 4.340 0.001 0.000 0.262 388 L C -0.371 176.461 176.870 -0.065 0.000 0.992 388 L CA -0.397 54.447 54.840 0.008 0.000 0.817 388 L CB 2.419 44.471 42.059 -0.011 0.000 1.350 388 L HN 0.756 nan 8.230 nan 0.000 0.411 389 S N 0.176 115.831 115.700 -0.074 0.000 2.767 389 S HA 0.902 5.373 4.470 0.001 0.000 0.300 389 S C -0.277 174.251 174.600 -0.119 0.000 1.123 389 S CA -0.384 57.757 58.200 -0.098 0.000 0.992 389 S CB 2.131 65.302 63.200 -0.049 0.000 1.138 389 S HN 0.983 nan 8.310 nan 0.000 0.550 390 C N -2.695 116.525 119.300 -0.132 0.000 3.241 390 C HA 0.914 5.374 4.460 0.001 0.000 0.354 390 C C 0.130 175.011 174.990 -0.181 0.000 1.462 390 C CA -0.124 58.807 59.018 -0.144 0.000 1.169 390 C CB 0.078 27.697 27.740 -0.201 0.000 1.618 390 C HN 2.692 nan 8.230 nan 0.000 0.429 391 G N 0.885 109.555 108.800 -0.216 0.000 2.788 391 G HA2 0.190 4.150 3.960 0.001 0.000 0.686 391 G HA3 0.190 4.150 3.960 0.001 0.000 0.686 391 G C -1.669 172.966 174.900 -0.441 0.000 1.147 391 G CA 0.012 44.955 45.100 -0.262 0.000 0.755 391 G HN 0.905 nan 8.290 nan 0.000 0.634 392 P HA -0.136 nan 4.420 nan 0.000 0.221 392 P C 0.763 177.312 177.300 -1.252 0.000 1.145 392 P CA 1.597 64.187 63.100 -0.850 0.000 0.795 392 P CB -0.030 31.147 31.700 -0.871 0.000 0.775 393 Y N -2.665 117.292 120.300 -0.572 0.000 2.555 393 Y HA 0.200 4.751 4.550 0.001 0.000 0.259 393 Y C 0.404 176.093 175.900 -0.352 0.000 1.179 393 Y CA -0.826 56.975 58.100 -0.498 0.000 1.230 393 Y CB -0.451 37.905 38.460 -0.173 0.000 1.146 393 Y HN -0.208 nan 8.280 nan 0.000 0.526 394 Y N -0.161 120.131 120.300 -0.013 0.000 4.236 394 Y HA -0.356 4.194 4.550 0.000 0.000 0.220 394 Y C 0.731 176.601 175.900 -0.050 0.000 1.115 394 Y CA 0.622 58.692 58.100 -0.050 0.000 1.811 394 Y CB -2.357 36.075 38.460 -0.047 0.000 1.581 394 Y HN 0.469 nan 8.280 nan 0.000 0.643 395 N N -0.615 118.100 118.700 0.026 0.000 2.273 395 N HA 0.268 5.008 4.740 0.001 0.000 0.231 395 N C -0.636 174.812 175.510 -0.105 0.000 1.134 395 N CA 0.140 53.170 53.050 -0.034 0.000 0.856 395 N CB 0.502 38.945 38.487 -0.072 0.000 1.068 395 N HN 0.190 nan 8.380 nan 0.000 0.510 396 V N 1.456 121.303 119.914 -0.112 0.000 2.409 396 V HA 0.395 4.515 4.120 0.001 0.000 0.291 396 V C 0.016 176.004 176.094 -0.177 0.000 1.020 396 V CA -0.784 61.416 62.300 -0.167 0.000 0.848 396 V CB 2.089 33.765 31.823 -0.245 0.000 0.990 396 V HN 0.156 nan 8.190 nan 0.000 0.430 397 L N 6.476 127.611 121.223 -0.147 0.000 2.275 397 L HA 0.653 4.993 4.340 0.001 0.000 0.288 397 L C 0.338 177.061 176.870 -0.245 0.000 1.046 397 L CA -0.383 54.379 54.840 -0.130 0.000 0.805 397 L CB 1.174 43.226 42.059 -0.012 0.000 1.193 397 L HN 0.744 nan 8.230 nan 0.000 0.426 398 R N 3.833 124.135 120.500 -0.330 0.000 2.740 398 R HA 0.759 5.099 4.340 0.001 0.000 0.282 398 R C -1.205 174.974 176.300 -0.202 0.000 0.969 398 R CA -0.830 54.950 56.100 -0.533 0.000 0.918 398 R CB 1.900 31.475 30.300 -1.208 0.000 1.175 398 R HN 0.438 nan 8.270 nan 0.000 0.464 399 I N 3.513 124.031 120.570 -0.087 0.000 2.389 399 I HA 0.231 4.401 4.170 0.001 0.000 0.288 399 I C -0.033 176.101 176.117 0.030 0.000 0.999 399 I CA -0.763 60.539 61.300 0.003 0.000 1.129 399 I CB 1.797 39.788 38.000 -0.016 0.000 1.288 399 I HN 0.590 nan 8.210 nan 0.000 0.444 400 L N 7.259 128.483 121.223 0.003 0.000 3.288 400 L HA 0.282 4.623 4.340 0.001 0.000 0.293 400 L C 0.172 177.001 176.870 -0.067 0.000 1.294 400 L CA -0.227 54.626 54.840 0.021 0.000 1.006 400 L CB 1.120 43.226 42.059 0.079 0.000 1.407 400 L HN 0.380 nan 8.230 nan 0.000 0.592 401 V N 1.967 121.749 119.914 -0.220 0.000 2.788 401 V HA 0.123 4.243 4.120 0.001 0.000 0.307 401 V C -1.731 174.265 176.094 -0.163 0.000 1.069 401 V CA -0.930 61.204 62.300 -0.276 0.000 1.173 401 V CB 1.022 32.391 31.823 -0.758 0.000 0.925 401 V HN 0.103 nan 8.190 nan 0.000 0.492 402 P HA 0.014 nan 4.420 nan 0.000 0.264 402 P C 0.730 177.980 177.300 -0.083 0.000 1.179 402 P CA 0.428 63.490 63.100 -0.064 0.000 0.763 402 P CB 0.317 32.004 31.700 -0.022 0.000 0.806 403 L N 1.820 122.993 121.223 -0.083 0.000 2.362 403 L HA -0.095 4.246 4.340 0.001 0.000 0.219 403 L C 1.827 178.640 176.870 -0.094 0.000 1.134 403 L CA 1.521 56.303 54.840 -0.097 0.000 0.807 403 L CB -1.132 40.855 42.059 -0.121 0.000 0.927 403 L HN 0.460 nan 8.230 nan 0.000 0.447 404 T N -2.333 112.177 114.554 -0.074 0.000 3.252 404 T HA 0.118 4.469 4.350 0.001 0.000 0.250 404 T C 0.766 175.455 174.700 -0.019 0.000 1.123 404 T CA -0.283 61.792 62.100 -0.040 0.000 1.006 404 T CB -0.455 68.417 68.868 0.008 0.000 0.992 404 T HN 0.170 nan 8.240 nan 0.000 0.547 405 I N 1.710 122.264 120.570 -0.028 0.000 2.872 405 I HA 0.085 4.255 4.170 0.001 0.000 0.291 405 I C 0.087 176.205 176.117 0.002 0.000 1.216 405 I CA -0.254 61.043 61.300 -0.006 0.000 1.424 405 I CB 0.698 38.682 38.000 -0.027 0.000 1.351 405 I HN 0.238 nan 8.210 nan 0.000 0.592 406 E N 5.509 125.722 120.200 0.021 0.000 2.301 406 E HA 0.039 4.389 4.350 0.001 0.000 0.275 406 E C 0.424 177.040 176.600 0.027 0.000 1.030 406 E CA -0.489 55.923 56.400 0.020 0.000 0.852 406 E CB 0.796 30.510 29.700 0.024 0.000 1.060 406 E HN 0.549 nan 8.360 nan 0.000 0.401 407 D N 2.434 122.845 120.400 0.019 0.000 2.172 407 D HA -0.252 4.388 4.640 0.001 0.000 0.196 407 D C 1.638 177.957 176.300 0.032 0.000 0.999 407 D CA 1.614 55.627 54.000 0.022 0.000 0.856 407 D CB -0.022 40.787 40.800 0.015 0.000 0.934 407 D HN 0.530 nan 8.370 nan 0.000 0.453 408 A N 0.856 123.694 122.820 0.029 0.000 1.969 408 A HA -0.195 4.125 4.320 0.001 0.000 0.218 408 A C 2.138 179.746 177.584 0.041 0.000 1.169 408 A CA 1.133 53.187 52.037 0.028 0.000 0.635 408 A CB -0.452 18.560 19.000 0.020 0.000 0.810 408 A HN 0.217 nan 8.150 nan 0.000 0.445 409 Q N -0.568 119.265 119.800 0.056 0.000 2.172 409 Q HA -0.016 4.325 4.340 0.001 0.000 0.200 409 Q C 1.920 178.013 176.000 0.156 0.000 0.964 409 Q CA 1.076 56.932 55.803 0.089 0.000 0.855 409 Q CB -0.235 28.565 28.738 0.103 0.000 0.918 409 Q HN 0.734 nan 8.270 nan 0.000 0.444 410 I N 0.438 121.089 120.570 0.135 0.000 2.142 410 I HA -0.301 3.869 4.170 0.001 0.000 0.240 410 I C 2.374 178.577 176.117 0.144 0.000 1.078 410 I CA 1.282 62.683 61.300 0.169 0.000 1.343 410 I CB -0.263 37.786 38.000 0.082 0.000 1.046 410 I HN 0.172 nan 8.210 nan 0.000 0.405 411 R N 0.270 120.818 120.500 0.080 0.000 2.083 411 R HA -0.236 4.104 4.340 0.001 0.000 0.237 411 R C 2.322 178.645 176.300 0.038 0.000 1.137 411 R CA 1.560 57.691 56.100 0.052 0.000 0.951 411 R CB -0.500 29.820 30.300 0.032 0.000 0.851 411 R HN 0.475 nan 8.270 nan 0.000 0.434 412 Q N 0.102 119.920 119.800 0.029 0.000 2.077 412 Q HA -0.169 4.171 4.340 0.001 0.000 0.206 412 Q C 2.065 178.031 176.000 -0.057 0.000 0.989 412 Q CA 2.000 57.796 55.803 -0.012 0.000 0.853 412 Q CB -0.292 28.435 28.738 -0.018 0.000 0.907 412 Q HN 0.458 nan 8.270 nan 0.000 0.418 413 G N 1.022 109.794 108.800 -0.047 0.000 2.433 413 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 413 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 413 G C 1.446 176.274 174.900 -0.120 0.000 1.186 413 G CA 0.872 45.815 45.100 -0.262 0.000 0.779 413 G HN 0.325 nan 8.290 nan 0.000 0.543 414 L N -0.042 121.208 121.223 0.044 0.000 2.042 414 L HA -0.090 4.251 4.340 0.001 0.000 0.210 414 L C 2.939 179.814 176.870 0.009 0.000 1.076 414 L CA 1.154 56.023 54.840 0.048 0.000 0.749 414 L CB -0.367 41.732 42.059 0.067 0.000 0.893 414 L HN 0.144 nan 8.230 nan 0.000 0.432 415 E N 0.655 120.854 120.200 -0.002 0.000 2.070 415 E HA -0.230 4.120 4.350 0.001 0.000 0.197 415 E C 2.215 178.806 176.600 -0.015 0.000 1.004 415 E CA 1.529 57.927 56.400 -0.004 0.000 0.805 415 E CB -0.237 29.457 29.700 -0.011 0.000 0.744 415 E HN 0.469 nan 8.360 nan 0.000 0.451 416 I N 0.482 121.021 120.570 -0.052 0.000 2.208 416 I HA -0.300 3.871 4.170 0.001 0.000 0.245 416 I C 2.462 178.564 176.117 -0.025 0.000 1.097 416 I CA 0.960 62.222 61.300 -0.065 0.000 1.363 416 I CB -0.293 37.627 38.000 -0.134 0.000 1.051 416 I HN 0.091 nan 8.210 nan 0.000 0.413 417 I N -0.268 120.294 120.570 -0.013 0.000 2.226 417 I HA -0.304 3.866 4.170 0.001 0.000 0.245 417 I C 2.782 178.986 176.117 0.145 0.000 1.100 417 I CA 1.222 62.570 61.300 0.079 0.000 1.374 417 I CB -0.400 37.646 38.000 0.075 0.000 1.057 417 I HN 0.210 nan 8.210 nan 0.000 0.413 418 S N 0.491 116.232 115.700 0.069 0.000 2.351 418 S HA -0.287 4.184 4.470 0.001 0.000 0.220 418 S C 2.040 176.704 174.600 0.106 0.000 1.035 418 S CA 1.820 60.066 58.200 0.076 0.000 1.031 418 S CB -0.258 62.973 63.200 0.052 0.000 0.928 418 S HN 0.436 nan 8.310 nan 0.000 0.433 419 Q N -0.426 119.413 119.800 0.064 0.000 2.112 419 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 419 Q C 2.573 178.594 176.000 0.036 0.000 0.987 419 Q CA 1.849 57.680 55.803 0.047 0.000 0.858 419 Q CB -0.552 28.194 28.738 0.014 0.000 0.905 419 Q HN 0.630 nan 8.270 nan 0.000 0.420 420 C N -0.385 118.933 119.300 0.030 0.000 2.432 420 C HA -0.137 4.323 4.460 0.001 0.000 0.277 420 C C 2.323 177.248 174.990 -0.109 0.000 1.249 420 C CA 0.503 59.497 59.018 -0.040 0.000 1.725 420 C CB -1.023 26.684 27.740 -0.056 0.000 2.028 420 C HN 0.443 nan 8.230 nan 0.000 0.477 421 F N 1.311 121.146 119.950 -0.193 0.000 2.186 421 F HA -0.105 4.423 4.527 0.000 0.000 0.299 421 F C 2.185 177.803 175.800 -0.303 0.000 1.090 421 F CA 1.762 59.525 58.000 -0.396 0.000 1.307 421 F CB -0.576 37.964 39.000 -0.767 0.000 1.019 421 F HN 0.243 nan 8.300 nan 0.000 0.489 422 D N 0.191 120.650 120.400 0.098 0.000 2.084 422 D HA -0.162 4.478 4.640 0.001 0.000 0.194 422 D C 2.085 178.459 176.300 0.123 0.000 0.990 422 D CA 1.453 55.597 54.000 0.240 0.000 0.826 422 D CB -0.510 40.404 40.800 0.190 0.000 0.971 422 D HN 0.359 nan 8.370 nan 0.000 0.453 423 E N 0.556 120.784 120.200 0.047 0.000 2.150 423 E HA -0.079 4.272 4.350 0.001 0.000 0.193 423 E C 2.013 178.605 176.600 -0.013 0.000 0.985 423 E CA 0.797 57.205 56.400 0.013 0.000 0.814 423 E CB 0.021 29.716 29.700 -0.007 0.000 0.752 423 E HN 0.190 nan 8.360 nan 0.000 0.466 424 A N 1.927 124.714 122.820 -0.055 0.000 1.841 424 A HA -0.147 4.173 4.320 0.001 0.000 0.214 424 A C 1.737 179.306 177.584 -0.024 0.000 1.195 424 A CA 0.903 52.887 52.037 -0.089 0.000 0.611 424 A CB -0.233 18.639 19.000 -0.214 0.000 0.835 424 A HN 0.016 nan 8.150 nan 0.000 0.443 425 K N 0.754 121.174 120.400 0.032 0.000 2.480 425 K HA 0.203 4.524 4.320 0.001 0.000 0.241 425 K C -0.081 176.578 176.600 0.099 0.000 1.261 425 K CA -0.040 56.308 56.287 0.101 0.000 1.193 425 K CB -0.366 32.279 32.500 0.240 0.000 1.598 425 K HN 0.611 nan 8.250 nan 0.000 0.278 426 Q N 0.000 119.831 119.800 0.052 0.000 2.315 426 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 426 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 426 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481