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 1ec8_1_D DATA FIRST_RESID 5 DATA SEQUENCE FTTPVVTEMQ VIPVAGHDSM LMNLSGAHAP FFTRNIVIIK DNSGHTGVGE DATA SEQUENCE IPGGEKIRKT LEDAIPLVVG KTLGEYKNVL TLVRNTFADR DAGGRGLQTF DATA SEQUENCE DLRTTIHVVT GIEAAMLDLL GQHLGVNVAS LLGDGQQRSE VEMLGYLFFV DATA SEQUENCE GNRKATPLPY QSQPDDSCDW YRLRHEEAMT PDAVVRLAEA AYEKYGFNDF DATA SEQUENCE KLKGGVLAGE EEAESIVALA QRFPQARITL DPNGAWSLNE AIKIGKYLKG DATA SEQUENCE SLAYAEDPCG AEQGFSGREV MAEFRRATGL PTATNMIATD WRQMGHTLSL DATA SEQUENCE QSVDIPLADP HFWTMQGSVR VAQMCHEFGL TWGSHSNNHF DISLAMFTHV DATA SEQUENCE AAAAPGKITA IDTHWIWQEG NQRLTKEPFE IKGGLVQVPE KPGLGVEIDM DATA SEQUENCE DQVMKAHELY QKHGLGARDD AMGMQYLIPG WTFDNKRPCM VR 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.847 175.800 0.079 0.000 0.967 5 F CA 0.000 58.033 58.000 0.055 0.000 1.383 5 F CB 0.000 39.021 39.000 0.036 0.000 1.145 6 T N 0.469 115.132 114.554 0.182 0.000 2.860 6 T HA 0.556 4.923 4.350 0.028 0.000 0.299 6 T C 0.468 175.231 174.700 0.105 0.000 1.045 6 T CA 0.434 62.604 62.100 0.117 0.000 1.071 6 T CB 0.382 69.280 68.868 0.050 0.000 0.985 6 T HN -0.005 nan 8.240 nan 0.000 0.537 7 T N 4.643 119.200 114.554 0.006 0.000 2.779 7 T HA 0.569 4.936 4.350 0.028 0.000 0.280 7 T C -2.325 172.234 174.700 -0.234 0.000 0.987 7 T CA -0.735 61.262 62.100 -0.173 0.000 0.966 7 T CB 1.308 70.151 68.868 -0.040 0.000 0.933 7 T HN 0.494 nan 8.240 nan 0.000 0.442 8 P HA 0.178 nan 4.420 nan 0.000 0.269 8 P C -0.872 176.346 177.300 -0.138 0.000 1.211 8 P CA -0.387 62.567 63.100 -0.244 0.000 0.781 8 P CB 0.471 32.010 31.700 -0.269 0.000 0.877 9 V N 2.845 122.708 119.914 -0.085 0.000 2.588 9 V HA 0.270 4.407 4.120 0.028 0.000 0.304 9 V C -0.490 175.586 176.094 -0.030 0.000 1.042 9 V CA -1.025 61.248 62.300 -0.045 0.000 0.877 9 V CB 2.153 33.958 31.823 -0.030 0.000 0.996 9 V HN 0.227 nan 8.190 nan 0.000 0.425 10 V N 6.686 126.592 119.914 -0.012 0.000 2.493 10 V HA 0.114 4.251 4.120 0.028 0.000 0.292 10 V C 1.738 177.829 176.094 -0.004 0.000 1.016 10 V CA 1.244 63.542 62.300 -0.003 0.000 1.097 10 V CB 0.686 32.516 31.823 0.012 0.000 0.947 10 V HN 1.145 nan 8.190 nan 0.000 0.479 11 T N 1.451 116.001 114.554 -0.007 0.000 3.033 11 T HA 0.162 4.529 4.350 0.028 0.000 0.248 11 T C 0.398 175.096 174.700 -0.003 0.000 1.040 11 T CA 0.475 62.570 62.100 -0.007 0.000 1.133 11 T CB 0.218 69.078 68.868 -0.013 0.000 0.895 11 T HN 0.821 nan 8.240 nan 0.000 0.465 12 E N 0.021 120.220 120.200 -0.002 0.000 2.430 12 E HA 0.603 4.970 4.350 0.028 0.000 0.279 12 E C -1.502 175.097 176.600 -0.001 0.000 1.003 12 E CA -1.299 55.100 56.400 -0.002 0.000 0.801 12 E CB 1.898 31.595 29.700 -0.006 0.000 1.313 12 E HN 0.318 nan 8.360 nan 0.000 0.459 13 M N 1.669 121.266 119.600 -0.003 0.000 2.371 13 M HA 0.339 4.836 4.480 0.028 0.000 0.287 13 M C -2.218 174.072 176.300 -0.017 0.000 1.149 13 M CA -0.270 55.026 55.300 -0.006 0.000 0.929 13 M CB 2.570 35.173 32.600 0.005 0.000 1.683 13 M HN 0.713 nan 8.290 nan 0.000 0.470 14 Q N 3.324 123.107 119.800 -0.028 0.000 2.345 14 Q HA 0.694 5.051 4.340 0.028 0.000 0.275 14 Q C -2.296 173.669 176.000 -0.058 0.000 1.063 14 Q CA -0.835 54.941 55.803 -0.045 0.000 0.819 14 Q CB 3.029 31.732 28.738 -0.058 0.000 1.356 14 Q HN 0.744 nan 8.270 nan 0.000 0.418 15 V N 5.844 125.716 119.914 -0.070 0.000 2.417 15 V HA 0.620 4.757 4.120 0.028 0.000 0.291 15 V C -1.161 174.852 176.094 -0.134 0.000 1.024 15 V CA -0.470 61.779 62.300 -0.086 0.000 0.861 15 V CB 1.263 33.044 31.823 -0.070 0.000 0.985 15 V HN 0.792 nan 8.190 nan 0.000 0.436 16 I N 9.023 129.492 120.570 -0.168 0.000 2.439 16 I HA 0.437 4.624 4.170 0.028 0.000 0.283 16 I C -2.561 173.393 176.117 -0.270 0.000 1.023 16 I CA -1.986 59.159 61.300 -0.259 0.000 1.100 16 I CB 2.328 40.157 38.000 -0.285 0.000 1.238 16 I HN 0.463 nan 8.210 nan 0.000 0.445 17 P HA 0.222 nan 4.420 nan 0.000 0.281 17 P C -0.620 176.364 177.300 -0.527 0.000 1.252 17 P CA -0.100 62.638 63.100 -0.604 0.000 0.778 17 P CB 1.564 32.625 31.700 -1.065 0.000 0.895 18 V N -0.270 119.376 119.914 -0.448 0.000 3.141 18 V HA 1.006 5.143 4.120 0.028 0.000 0.312 18 V C -0.932 175.105 176.094 -0.094 0.000 1.157 18 V CA -1.436 60.747 62.300 -0.195 0.000 1.041 18 V CB 1.634 33.321 31.823 -0.227 0.000 1.071 18 V HN 0.721 nan 8.190 nan 0.000 0.441 19 A N 0.146 122.946 122.820 -0.034 0.000 2.556 19 A HA 1.069 5.406 4.320 0.028 0.000 0.294 19 A C -0.139 177.345 177.584 -0.167 0.000 1.091 19 A CA -0.152 51.811 52.037 -0.123 0.000 0.704 19 A CB 1.673 20.626 19.000 -0.080 0.000 1.300 19 A HN 2.207 nan 8.150 nan 0.000 0.406 20 G N -0.835 107.617 108.800 -0.581 0.000 2.866 20 G HA2 0.605 4.582 3.960 0.028 0.000 0.289 20 G HA3 0.605 4.582 3.960 0.028 0.000 0.289 20 G C -1.551 173.125 174.900 -0.374 0.000 1.396 20 G CA -0.632 44.233 45.100 -0.392 0.000 0.848 20 G HN 0.828 nan 8.290 nan 0.000 0.515 21 H N -0.537 118.665 119.070 0.220 0.000 2.467 21 H HA 0.637 5.210 4.556 0.028 0.000 0.331 21 H C -0.772 174.722 175.328 0.276 0.000 1.120 21 H CA -0.063 56.094 56.048 0.181 0.000 1.270 21 H CB 2.055 31.876 29.762 0.097 0.000 1.466 21 H HN 0.459 nan 8.280 nan 0.000 0.504 22 D N -0.036 120.523 120.400 0.265 0.000 2.552 22 D HA 0.366 5.023 4.640 0.028 0.000 0.239 22 D C -0.566 175.837 176.300 0.172 0.000 1.139 22 D CA -0.588 53.528 54.000 0.194 0.000 0.914 22 D CB 1.757 42.653 40.800 0.159 0.000 1.461 22 D HN 0.468 nan 8.370 nan 0.000 0.462 23 S N 0.403 116.123 115.700 0.033 0.000 2.681 23 S HA 0.256 4.743 4.470 0.028 0.000 0.270 23 S C 0.703 175.167 174.600 -0.227 0.000 1.209 23 S CA -0.673 57.488 58.200 -0.066 0.000 0.988 23 S CB 0.680 63.789 63.200 -0.152 0.000 1.006 23 S HN 0.570 nan 8.310 nan 0.000 0.558 24 M N 2.327 121.639 119.600 -0.480 0.000 3.706 24 M HA 0.210 4.707 4.480 0.028 0.000 0.204 24 M C -1.245 174.784 176.300 -0.452 0.000 1.455 24 M CA -0.141 54.834 55.300 -0.541 0.000 1.659 24 M CB -0.999 31.077 32.600 -0.872 0.000 1.076 24 M HN 0.447 nan 8.290 nan 0.000 0.577 25 L N 2.811 123.635 121.223 -0.665 0.000 2.455 25 L HA 0.134 4.491 4.340 0.028 0.000 0.272 25 L C 0.201 176.768 176.870 -0.504 0.000 1.174 25 L CA -0.068 54.203 54.840 -0.949 0.000 0.869 25 L CB 0.158 40.979 42.059 -2.064 0.000 1.130 25 L HN 0.427 nan 8.230 nan 0.000 0.474 26 M N 3.731 123.238 119.600 -0.155 0.000 2.314 26 M HA 0.384 4.881 4.480 0.028 0.000 0.342 26 M C -0.161 176.256 176.300 0.194 0.000 1.171 26 M CA -0.214 55.108 55.300 0.036 0.000 1.098 26 M CB 1.095 33.759 32.600 0.107 0.000 1.559 26 M HN 0.810 nan 8.290 nan 0.000 0.459 27 N N -0.127 118.697 118.700 0.206 0.000 3.179 27 N HA 0.303 5.060 4.740 0.028 0.000 0.250 27 N C -0.268 175.421 175.510 0.298 0.000 1.507 27 N CA -0.869 52.351 53.050 0.283 0.000 0.883 27 N CB 1.000 39.710 38.487 0.371 0.000 1.435 27 N HN 0.326 nan 8.380 nan 0.000 0.532 28 L N 0.279 121.695 121.223 0.321 0.000 2.131 28 L HA 0.151 4.508 4.340 0.028 0.000 0.210 28 L C 1.685 178.948 176.870 0.655 0.000 1.092 28 L CA 1.729 56.802 54.840 0.389 0.000 0.759 28 L CB -0.635 41.594 42.059 0.283 0.000 0.903 28 L HN 0.761 nan 8.230 nan 0.000 0.435 29 S N -0.635 115.407 115.700 0.570 0.000 2.515 29 S HA 0.287 4.774 4.470 0.028 0.000 0.231 29 S C 0.942 175.867 174.600 0.542 0.000 0.987 29 S CA 0.612 59.131 58.200 0.532 0.000 0.936 29 S CB -0.289 63.091 63.200 0.300 0.000 0.766 29 S HN 0.840 nan 8.310 nan 0.000 0.528 30 G N 0.340 109.330 108.800 0.317 0.000 2.204 30 G HA2 0.322 4.299 3.960 0.028 0.000 0.153 30 G HA3 0.322 4.299 3.960 0.028 0.000 0.153 30 G C -1.229 173.623 174.900 -0.080 0.000 1.295 30 G CA -0.370 44.617 45.100 -0.187 0.000 1.257 30 G HN 0.689 nan 8.290 nan 0.000 0.495 31 A N -0.197 122.565 122.820 -0.097 0.000 2.343 31 A HA 0.799 5.136 4.320 0.028 0.000 0.316 31 A C -0.182 177.472 177.584 0.116 0.000 1.104 31 A CA -0.342 51.689 52.037 -0.009 0.000 0.768 31 A CB 0.460 19.424 19.000 -0.061 0.000 1.213 31 A HN 0.807 nan 8.150 nan 0.000 0.456 32 H N 0.900 119.909 119.070 -0.101 0.000 2.871 32 H HA 0.286 4.859 4.556 0.028 0.000 0.355 32 H C 0.962 176.310 175.328 0.033 0.000 1.092 32 H CA 0.372 56.363 56.048 -0.095 0.000 1.420 32 H CB 1.002 30.640 29.762 -0.207 0.000 1.400 32 H HN 0.851 nan 8.280 nan 0.000 0.604 33 A N 4.101 126.981 122.820 0.100 0.000 2.287 33 A HA 0.163 4.500 4.320 0.028 0.000 0.273 33 A C -1.430 176.099 177.584 -0.092 0.000 1.091 33 A CA -1.445 50.596 52.037 0.008 0.000 0.817 33 A CB 0.120 19.093 19.000 -0.044 0.000 1.069 33 A HN 0.522 nan 8.150 nan 0.000 0.492 34 P HA -0.043 nan 4.420 nan 0.000 0.219 34 P C -0.351 176.453 177.300 -0.827 0.000 1.146 34 P CA 1.311 63.861 63.100 -0.916 0.000 0.808 34 P CB -0.028 30.809 31.700 -1.438 0.000 0.779 35 F N -1.161 118.672 119.950 -0.195 0.000 2.561 35 F HA 0.499 5.043 4.527 0.028 0.000 0.321 35 F C 0.225 175.976 175.800 -0.082 0.000 1.065 35 F CA -1.451 56.423 58.000 -0.210 0.000 0.934 35 F CB 1.083 39.875 39.000 -0.347 0.000 1.215 35 F HN -0.263 nan 8.300 nan 0.000 0.471 36 F N -0.576 119.401 119.950 0.045 0.000 2.579 36 F HA 0.904 5.448 4.527 0.029 0.000 0.324 36 F C -0.466 175.370 175.800 0.061 0.000 1.058 36 F CA -1.011 56.969 58.000 -0.032 0.000 0.944 36 F CB 1.419 40.335 39.000 -0.142 0.000 1.245 36 F HN 0.508 nan 8.300 nan 0.000 0.477 37 T N 0.496 115.097 114.554 0.078 0.000 2.932 37 T HA 0.871 5.237 4.350 0.028 0.000 0.289 37 T C -0.671 174.118 174.700 0.148 0.000 1.039 37 T CA -0.939 61.196 62.100 0.059 0.000 1.024 37 T CB 2.074 71.032 68.868 0.150 0.000 1.090 37 T HN 0.841 nan 8.240 nan 0.000 0.496 38 R N 1.044 121.595 120.500 0.085 0.000 2.752 38 R HA 0.464 4.821 4.340 0.028 0.000 0.271 38 R C -1.459 174.816 176.300 -0.042 0.000 1.026 38 R CA -0.851 55.312 56.100 0.105 0.000 0.901 38 R CB 1.459 31.948 30.300 0.314 0.000 1.243 38 R HN 0.826 nan 8.270 nan 0.000 0.463 39 N N 0.342 119.028 118.700 -0.024 0.000 2.354 39 N HA 0.420 5.177 4.740 0.028 0.000 0.287 39 N C -0.776 174.707 175.510 -0.044 0.000 1.016 39 N CA -0.599 52.404 53.050 -0.078 0.000 0.871 39 N CB 1.502 39.952 38.487 -0.062 0.000 1.299 39 N HN 0.241 nan 8.380 nan 0.000 0.482 40 I N 2.425 122.940 120.570 -0.091 0.000 2.353 40 I HA 0.345 4.532 4.170 0.028 0.000 0.293 40 I C -0.130 175.948 176.117 -0.065 0.000 0.992 40 I CA -0.797 60.458 61.300 -0.076 0.000 1.268 40 I CB 1.063 38.991 38.000 -0.119 0.000 1.387 40 I HN 0.205 nan 8.210 nan 0.000 0.478 41 V N 7.741 127.633 119.914 -0.036 0.000 2.459 41 V HA 0.519 4.656 4.120 0.028 0.000 0.295 41 V C -0.009 176.066 176.094 -0.032 0.000 1.029 41 V CA -0.517 61.766 62.300 -0.029 0.000 0.874 41 V CB 2.130 33.951 31.823 -0.003 0.000 0.985 41 V HN 0.466 nan 8.190 nan 0.000 0.438 42 I N 6.018 126.567 120.570 -0.036 0.000 2.447 42 I HA 0.564 4.751 4.170 0.028 0.000 0.287 42 I C -0.682 175.423 176.117 -0.020 0.000 1.023 42 I CA -0.170 61.111 61.300 -0.032 0.000 1.083 42 I CB 1.833 39.808 38.000 -0.042 0.000 1.245 42 I HN 0.385 nan 8.210 nan 0.000 0.434 43 I N 5.789 126.352 120.570 -0.011 0.000 2.545 43 I HA 0.497 4.684 4.170 0.028 0.000 0.292 43 I C -0.637 175.483 176.117 0.004 0.000 1.040 43 I CA -0.820 60.479 61.300 -0.002 0.000 1.068 43 I CB 2.108 40.111 38.000 0.004 0.000 1.251 43 I HN 0.489 nan 8.210 nan 0.000 0.424 44 K N 3.465 123.869 120.400 0.006 0.000 2.328 44 K HA 0.601 4.938 4.320 0.028 0.000 0.246 44 K C -1.601 175.003 176.600 0.006 0.000 0.955 44 K CA -0.958 55.336 56.287 0.012 0.000 0.817 44 K CB 2.309 34.813 32.500 0.007 0.000 1.208 44 K HN 0.621 nan 8.250 nan 0.000 0.432 45 D N -0.515 119.888 120.400 0.005 0.000 2.527 45 D HA 0.045 4.702 4.640 0.028 0.000 0.233 45 D C 0.461 176.731 176.300 -0.049 0.000 1.063 45 D CA -0.864 53.123 54.000 -0.021 0.000 0.880 45 D CB 0.720 41.504 40.800 -0.026 0.000 1.457 45 D HN 0.498 nan 8.370 nan 0.000 0.475 46 N N 0.324 118.989 118.700 -0.059 0.000 2.651 46 N HA -0.202 4.555 4.740 0.028 0.000 0.193 46 N C 0.896 176.347 175.510 -0.099 0.000 1.149 46 N CA 1.256 54.267 53.050 -0.065 0.000 0.933 46 N CB -0.569 37.886 38.487 -0.054 0.000 0.974 46 N HN 0.549 nan 8.380 nan 0.000 0.448 47 S N -0.762 114.849 115.700 -0.148 0.000 2.540 47 S HA 0.473 4.960 4.470 0.028 0.000 0.218 47 S C 1.312 175.716 174.600 -0.327 0.000 0.977 47 S CA 0.104 58.160 58.200 -0.240 0.000 0.918 47 S CB -0.207 62.811 63.200 -0.303 0.000 0.806 47 S HN 0.678 nan 8.310 nan 0.000 0.496 48 G N 1.153 109.839 108.800 -0.190 0.000 2.149 48 G HA2 -0.148 3.829 3.960 0.028 0.000 0.235 48 G HA3 -0.148 3.829 3.960 0.028 0.000 0.235 48 G C -0.172 174.726 174.900 -0.003 0.000 1.018 48 G CA -0.001 45.034 45.100 -0.108 0.000 0.728 48 G HN 0.600 nan 8.290 nan 0.000 0.508 49 H N -0.245 118.819 119.070 -0.010 0.000 2.567 49 H HA 0.772 5.345 4.556 0.028 0.000 0.345 49 H C 0.069 175.388 175.328 -0.014 0.000 1.169 49 H CA -0.086 55.957 56.048 -0.008 0.000 1.227 49 H CB 1.760 31.520 29.762 -0.003 0.000 1.607 49 H HN 0.116 nan 8.280 nan 0.000 0.534 50 T N 1.114 115.738 114.554 0.118 0.000 2.848 50 T HA 0.579 4.946 4.350 0.028 0.000 0.285 50 T C 0.218 174.919 174.700 0.001 0.000 0.995 50 T CA -0.817 61.308 62.100 0.041 0.000 0.970 50 T CB 1.578 70.458 68.868 0.021 0.000 0.976 50 T HN 0.727 nan 8.240 nan 0.000 0.441 51 G N 1.185 109.982 108.800 -0.006 0.000 2.482 51 G HA2 0.739 4.715 3.960 0.028 0.000 0.317 51 G HA3 0.739 4.715 3.960 0.028 0.000 0.317 51 G C -0.715 174.168 174.900 -0.028 0.000 1.241 51 G CA -0.764 44.319 45.100 -0.027 0.000 0.967 51 G HN 0.860 nan 8.290 nan 0.000 0.482 52 V N -0.899 118.993 119.914 -0.037 0.000 3.102 52 V HA 1.063 5.200 4.120 0.028 0.000 0.312 52 V C 0.111 176.190 176.094 -0.026 0.000 1.135 52 V CA -0.454 61.827 62.300 -0.033 0.000 1.022 52 V CB 1.665 33.463 31.823 -0.041 0.000 1.056 52 V HN 1.479 nan 8.190 nan 0.000 0.436 53 G N 0.598 109.391 108.800 -0.011 0.000 2.704 53 G HA2 0.673 4.650 3.960 0.028 0.000 0.293 53 G HA3 0.673 4.650 3.960 0.028 0.000 0.293 53 G C -1.835 173.089 174.900 0.040 0.000 1.421 53 G CA -0.445 44.665 45.100 0.017 0.000 0.870 53 G HN 1.137 nan 8.290 nan 0.000 0.492 54 E N 0.163 120.421 120.200 0.097 0.000 2.292 54 E HA 0.659 5.026 4.350 0.028 0.000 0.272 54 E C -0.834 175.906 176.600 0.233 0.000 0.881 54 E CA -0.807 55.676 56.400 0.139 0.000 0.754 54 E CB 2.155 31.953 29.700 0.163 0.000 1.201 54 E HN 0.693 nan 8.360 nan 0.000 0.425 55 I N -0.967 119.707 120.570 0.173 0.000 3.354 55 I HA 0.633 4.820 4.170 0.028 0.000 0.316 55 I C -2.750 173.380 176.117 0.022 0.000 1.182 55 I CA -3.250 58.155 61.300 0.175 0.000 0.942 55 I CB 1.803 39.924 38.000 0.202 0.000 1.299 55 I HN 0.257 nan 8.210 nan 0.000 0.473 56 P HA 0.131 nan 4.420 nan 0.000 0.267 56 P C -0.146 177.111 177.300 -0.070 0.000 1.200 56 P CA 0.238 63.245 63.100 -0.156 0.000 0.772 56 P CB 0.385 31.866 31.700 -0.365 0.000 0.855 57 G N 1.049 109.835 108.800 -0.023 0.000 2.507 57 G HA2 0.571 4.548 3.960 0.028 0.000 0.271 57 G HA3 0.571 4.548 3.960 0.028 0.000 0.271 57 G C -0.214 174.694 174.900 0.014 0.000 1.189 57 G CA -0.170 44.926 45.100 -0.006 0.000 0.859 57 G HN 0.764 nan 8.290 nan 0.000 0.542 58 G N -0.056 108.767 108.800 0.038 0.000 2.343 58 G HA2 0.296 4.273 3.960 0.028 0.000 0.298 58 G HA3 0.296 4.273 3.960 0.028 0.000 0.298 58 G C 0.084 175.024 174.900 0.067 0.000 1.644 58 G CA 0.364 45.505 45.100 0.068 0.000 0.958 58 G HN 0.709 nan 8.290 nan 0.000 0.702 59 E N 0.816 121.069 120.200 0.088 0.000 2.072 59 E HA -0.020 4.347 4.350 0.028 0.000 0.191 59 E C 2.720 179.343 176.600 0.039 0.000 0.985 59 E CA 2.813 59.258 56.400 0.075 0.000 0.801 59 E CB -0.148 29.603 29.700 0.084 0.000 0.750 59 E HN 0.917 nan 8.360 nan 0.000 0.452 60 K N 1.058 121.482 120.400 0.039 0.000 2.020 60 K HA -0.144 4.193 4.320 0.028 0.000 0.212 60 K C 2.308 178.909 176.600 0.000 0.000 1.050 60 K CA 1.895 58.196 56.287 0.024 0.000 0.929 60 K CB -1.327 31.196 32.500 0.039 0.000 0.714 60 K HN 0.317 nan 8.250 nan 0.000 0.443 61 I N -0.040 120.540 120.570 0.016 0.000 2.163 61 I HA -0.277 3.910 4.170 0.028 0.000 0.243 61 I C 2.985 179.083 176.117 -0.031 0.000 1.085 61 I CA 1.620 62.923 61.300 0.005 0.000 1.347 61 I CB -0.163 37.859 38.000 0.037 0.000 1.044 61 I HN 0.407 nan 8.210 nan 0.000 0.408 62 R N 1.410 121.897 120.500 -0.022 0.000 2.083 62 R HA -0.260 4.097 4.340 0.028 0.000 0.237 62 R C 2.307 178.579 176.300 -0.047 0.000 1.137 62 R CA 2.124 58.200 56.100 -0.040 0.000 0.951 62 R CB -0.152 30.130 30.300 -0.031 0.000 0.851 62 R HN 0.159 nan 8.270 nan 0.000 0.434 63 K N -0.208 120.171 120.400 -0.035 0.000 2.057 63 K HA -0.054 4.283 4.320 0.028 0.000 0.206 63 K C 1.843 178.380 176.600 -0.106 0.000 1.050 63 K CA 2.176 58.438 56.287 -0.043 0.000 0.935 63 K CB -0.266 32.227 32.500 -0.012 0.000 0.715 63 K HN 0.119 nan 8.250 nan 0.000 0.439 64 T N 1.389 115.843 114.554 -0.166 0.000 2.720 64 T HA -0.137 4.230 4.350 0.028 0.000 0.268 64 T C 1.715 176.176 174.700 -0.397 0.000 1.037 64 T CA 1.554 63.419 62.100 -0.391 0.000 1.144 64 T CB -0.254 68.361 68.868 -0.422 0.000 0.864 64 T HN 0.126 nan 8.240 nan 0.000 0.444 65 L N 0.610 121.708 121.223 -0.207 0.000 2.083 65 L HA -0.135 4.222 4.340 0.028 0.000 0.209 65 L C 2.780 179.588 176.870 -0.103 0.000 1.083 65 L CA 1.471 56.228 54.840 -0.138 0.000 0.752 65 L CB -0.421 41.595 42.059 -0.072 0.000 0.899 65 L HN 0.367 nan 8.230 nan 0.000 0.433 66 E N 0.144 120.290 120.200 -0.090 0.000 2.038 66 E HA -0.271 4.096 4.350 0.028 0.000 0.195 66 E C 1.626 178.213 176.600 -0.022 0.000 1.000 66 E CA 1.766 58.139 56.400 -0.046 0.000 0.803 66 E CB 0.044 29.724 29.700 -0.034 0.000 0.750 66 E HN 0.407 nan 8.360 nan 0.000 0.448 67 D N 0.002 120.371 120.400 -0.051 0.000 2.218 67 D HA -0.129 4.528 4.640 0.028 0.000 0.204 67 D C 1.628 178.041 176.300 0.187 0.000 0.976 67 D CA 1.205 55.244 54.000 0.065 0.000 0.853 67 D CB -0.161 40.687 40.800 0.080 0.000 0.939 67 D HN 0.337 nan 8.370 nan 0.000 0.481 68 A N 0.659 123.507 122.820 0.046 0.000 2.119 68 A HA -0.013 4.324 4.320 0.028 0.000 0.216 68 A C 2.213 179.873 177.584 0.128 0.000 1.152 68 A CA 0.050 52.195 52.037 0.180 0.000 0.708 68 A CB -0.421 18.611 19.000 0.053 0.000 0.805 68 A HN 0.165 nan 8.150 nan 0.000 0.460 69 I N 0.597 121.209 120.570 0.071 0.000 2.229 69 I HA -0.224 3.963 4.170 0.028 0.000 0.250 69 I C -0.614 175.537 176.117 0.057 0.000 1.096 69 I CA 1.653 62.984 61.300 0.051 0.000 1.358 69 I CB -1.783 36.234 38.000 0.028 0.000 1.047 69 I HN 0.252 nan 8.210 nan 0.000 0.422 70 P HA -0.021 nan 4.420 nan 0.000 0.236 70 P C 1.846 179.180 177.300 0.057 0.000 1.177 70 P CA 0.992 64.125 63.100 0.055 0.000 0.773 70 P CB -0.028 31.703 31.700 0.053 0.000 0.878 71 L N -1.666 119.605 121.223 0.080 0.000 2.341 71 L HA -0.001 4.356 4.340 0.028 0.000 0.214 71 L C 2.086 178.996 176.870 0.067 0.000 1.115 71 L CA 0.713 55.599 54.840 0.076 0.000 0.820 71 L CB -0.478 41.649 42.059 0.113 0.000 0.944 71 L HN -0.141 nan 8.230 nan 0.000 0.452 72 V N -1.467 118.486 119.914 0.065 0.000 2.599 72 V HA 0.046 4.183 4.120 0.028 0.000 0.237 72 V C 1.208 177.327 176.094 0.042 0.000 1.081 72 V CA -0.015 62.319 62.300 0.057 0.000 1.107 72 V CB 0.320 32.177 31.823 0.057 0.000 0.808 72 V HN -0.040 nan 8.190 nan 0.000 0.486 73 V N 1.763 121.698 119.914 0.034 0.000 2.694 73 V HA 0.398 4.535 4.120 0.028 0.000 0.306 73 V C 1.555 177.661 176.094 0.019 0.000 1.054 73 V CA 1.569 63.883 62.300 0.022 0.000 1.161 73 V CB -0.198 31.636 31.823 0.017 0.000 0.916 73 V HN 0.793 nan 8.190 nan 0.000 0.490 74 G N 3.444 112.252 108.800 0.013 0.000 2.268 74 G HA2 -0.200 3.777 3.960 0.028 0.000 0.240 74 G HA3 -0.200 3.777 3.960 0.028 0.000 0.240 74 G C 0.288 175.194 174.900 0.011 0.000 1.010 74 G CA -0.091 45.015 45.100 0.009 0.000 0.618 74 G HN 0.563 nan 8.290 nan 0.000 0.516 75 K N 2.051 122.463 120.400 0.020 0.000 2.258 75 K HA 0.508 4.845 4.320 0.028 0.000 0.264 75 K C 1.009 177.622 176.600 0.020 0.000 1.007 75 K CA 0.486 56.789 56.287 0.026 0.000 0.941 75 K CB 0.705 33.230 32.500 0.042 0.000 0.966 75 K HN 0.638 nan 8.250 nan 0.000 0.480 76 T N -1.630 112.937 114.554 0.021 0.000 2.874 76 T HA 0.273 4.640 4.350 0.028 0.000 0.281 76 T C 1.730 176.450 174.700 0.033 0.000 0.994 76 T CA -0.737 61.368 62.100 0.008 0.000 1.015 76 T CB 0.462 69.331 68.868 0.002 0.000 1.028 76 T HN 0.409 nan 8.240 nan 0.000 0.523 77 L N 1.284 122.510 121.223 0.005 0.000 2.083 77 L HA 0.083 4.440 4.340 0.028 0.000 0.209 77 L C 3.007 179.971 176.870 0.156 0.000 1.083 77 L CA 1.480 56.344 54.840 0.041 0.000 0.752 77 L CB -1.190 40.852 42.059 -0.028 0.000 0.899 77 L HN 0.977 nan 8.230 nan 0.000 0.433 78 G N -0.295 108.584 108.800 0.132 0.000 2.527 78 G HA2 -0.193 3.784 3.960 0.028 0.000 0.219 78 G HA3 -0.193 3.784 3.960 0.028 0.000 0.219 78 G C 1.330 176.330 174.900 0.168 0.000 1.117 78 G CA 0.325 45.532 45.100 0.178 0.000 0.759 78 G HN 0.479 nan 8.290 nan 0.000 0.556 79 E N -0.328 119.956 120.200 0.140 0.000 2.474 79 E HA 0.010 4.377 4.350 0.028 0.000 0.194 79 E C 1.759 178.400 176.600 0.068 0.000 1.041 79 E CA -0.076 56.370 56.400 0.077 0.000 0.874 79 E CB -0.144 29.591 29.700 0.058 0.000 0.914 79 E HN 0.796 nan 8.360 nan 0.000 0.498 80 Y N 2.124 122.438 120.300 0.023 0.000 2.062 80 Y HA -0.326 4.241 4.550 0.028 0.000 0.276 80 Y C 1.879 177.798 175.900 0.032 0.000 1.189 80 Y CA 1.560 59.676 58.100 0.028 0.000 1.130 80 Y CB -0.448 38.029 38.460 0.028 0.000 0.959 80 Y HN -0.192 nan 8.280 nan 0.000 0.499 81 K N 0.323 120.218 120.400 -0.841 0.000 2.063 81 K HA -0.166 4.171 4.320 0.028 0.000 0.208 81 K C 1.743 178.223 176.600 -0.201 0.000 1.048 81 K CA 1.498 57.459 56.287 -0.542 0.000 0.928 81 K CB -0.411 31.779 32.500 -0.517 0.000 0.713 81 K HN 0.447 nan 8.250 nan 0.000 0.442 82 N N 0.994 119.608 118.700 -0.143 0.000 2.120 82 N HA -0.117 4.640 4.740 0.028 0.000 0.188 82 N C 2.009 177.507 175.510 -0.020 0.000 1.024 82 N CA 0.912 53.925 53.050 -0.061 0.000 0.852 82 N CB -0.454 38.010 38.487 -0.039 0.000 1.003 82 N HN -0.044 nan 8.380 nan 0.000 0.424 83 V N 2.033 121.947 119.914 0.001 0.000 2.261 83 V HA -0.185 3.952 4.120 0.028 0.000 0.246 83 V C 2.431 178.557 176.094 0.053 0.000 1.047 83 V CA 1.245 63.570 62.300 0.041 0.000 1.015 83 V CB -0.647 31.220 31.823 0.073 0.000 0.642 83 V HN 0.236 nan 8.190 nan 0.000 0.446 84 L N -0.233 121.020 121.223 0.049 0.000 2.129 84 L HA -0.209 4.148 4.340 0.028 0.000 0.212 84 L C 2.560 179.465 176.870 0.060 0.000 1.087 84 L CA 1.940 56.821 54.840 0.069 0.000 0.757 84 L CB -1.122 40.979 42.059 0.071 0.000 0.896 84 L HN 0.389 nan 8.230 nan 0.000 0.434 85 T N 0.030 114.599 114.554 0.026 0.000 2.770 85 T HA -0.137 4.229 4.350 0.028 0.000 0.263 85 T C 1.821 176.540 174.700 0.031 0.000 1.039 85 T CA 0.938 63.052 62.100 0.023 0.000 1.142 85 T CB -0.224 68.642 68.868 -0.003 0.000 0.868 85 T HN 0.085 nan 8.240 nan 0.000 0.435 86 L N 2.007 123.246 121.223 0.026 0.000 1.963 86 L HA -0.129 4.228 4.340 0.028 0.000 0.220 86 L C 2.508 179.405 176.870 0.046 0.000 1.076 86 L CA 1.760 56.613 54.840 0.022 0.000 0.772 86 L CB -1.308 40.767 42.059 0.026 0.000 0.892 86 L HN 0.122 nan 8.230 nan 0.000 0.435 87 V N 0.224 120.203 119.914 0.109 0.000 2.250 87 V HA -0.378 3.759 4.120 0.028 0.000 0.250 87 V C 2.767 179.009 176.094 0.248 0.000 1.060 87 V CA 2.399 64.837 62.300 0.231 0.000 1.030 87 V CB -0.916 31.037 31.823 0.218 0.000 0.643 87 V HN 0.608 nan 8.190 nan 0.000 0.445 88 R N 0.823 121.418 120.500 0.158 0.000 2.103 88 R HA -0.193 4.164 4.340 0.028 0.000 0.242 88 R C 2.069 178.429 176.300 0.100 0.000 1.142 88 R CA 2.269 58.450 56.100 0.136 0.000 0.960 88 R CB -0.531 29.825 30.300 0.093 0.000 0.858 88 R HN 0.579 nan 8.270 nan 0.000 0.439 89 N N -0.497 118.232 118.700 0.047 0.000 2.080 89 N HA -0.107 4.650 4.740 0.028 0.000 0.189 89 N C 1.617 177.095 175.510 -0.053 0.000 1.036 89 N CA 2.128 55.178 53.050 0.001 0.000 0.846 89 N CB -0.757 37.719 38.487 -0.017 0.000 1.015 89 N HN 0.287 nan 8.380 nan 0.000 0.423 90 T N 0.412 114.887 114.554 -0.132 0.000 2.665 90 T HA -0.125 4.242 4.350 0.028 0.000 0.268 90 T C 1.053 175.456 174.700 -0.496 0.000 1.035 90 T CA 1.232 63.097 62.100 -0.392 0.000 1.151 90 T CB -0.333 68.159 68.868 -0.627 0.000 0.862 90 T HN 0.202 nan 8.240 nan 0.000 0.438 91 F N 0.576 120.538 119.950 0.020 0.000 2.639 91 F HA 0.599 5.142 4.527 0.027 0.000 0.300 91 F C 1.890 177.701 175.800 0.018 0.000 1.109 91 F CA -0.798 57.214 58.000 0.021 0.000 1.335 91 F CB -0.665 38.352 39.000 0.027 0.000 1.014 91 F HN 0.073 nan 8.300 nan 0.000 0.537 92 A N 1.031 123.927 122.820 0.126 0.000 1.903 92 A HA -0.326 4.011 4.320 0.028 0.000 0.219 92 A C 2.013 179.641 177.584 0.073 0.000 1.191 92 A CA 2.464 54.552 52.037 0.085 0.000 0.638 92 A CB -0.915 18.111 19.000 0.043 0.000 0.823 92 A HN 0.483 nan 8.150 nan 0.000 0.451 93 D N -0.273 120.166 120.400 0.066 0.000 2.384 93 D HA -0.174 4.483 4.640 0.028 0.000 0.222 93 D C 1.549 177.885 176.300 0.061 0.000 0.976 93 D CA 1.066 55.097 54.000 0.052 0.000 0.915 93 D CB -0.568 40.255 40.800 0.037 0.000 0.896 93 D HN 0.631 nan 8.370 nan 0.000 0.523 94 R N 0.044 120.595 120.500 0.086 0.000 2.276 94 R HA 0.025 4.382 4.340 0.028 0.000 0.203 94 R C -0.034 176.295 176.300 0.047 0.000 1.017 94 R CA 0.779 56.924 56.100 0.075 0.000 1.010 94 R CB -0.034 30.325 30.300 0.098 0.000 0.900 94 R HN 0.185 nan 8.270 nan 0.000 0.469 95 D N 0.637 121.058 120.400 0.035 0.000 2.895 95 D HA 0.195 4.852 4.640 0.028 0.000 0.258 95 D C 0.855 177.155 176.300 -0.001 0.000 1.311 95 D CA -0.106 53.900 54.000 0.009 0.000 0.843 95 D CB 0.815 41.608 40.800 -0.011 0.000 1.055 95 D HN 0.085 nan 8.370 nan 0.000 0.486 96 A N 0.470 123.294 122.820 0.007 0.000 1.883 96 A HA -0.046 4.291 4.320 0.028 0.000 0.217 96 A C 2.140 179.719 177.584 -0.009 0.000 1.186 96 A CA 1.682 53.721 52.037 0.003 0.000 0.624 96 A CB -0.668 18.337 19.000 0.009 0.000 0.822 96 A HN 0.373 nan 8.150 nan 0.000 0.444 97 G N -1.629 107.163 108.800 -0.014 0.000 3.026 97 G HA2 0.431 4.408 3.960 0.028 0.000 0.208 97 G HA3 0.431 4.408 3.960 0.028 0.000 0.208 97 G C 1.062 175.936 174.900 -0.044 0.000 1.169 97 G CA 0.650 45.735 45.100 -0.025 0.000 0.788 97 G HN 1.532 nan 8.290 nan 0.000 0.533 98 G N 0.783 109.554 108.800 -0.049 0.000 2.569 98 G HA2 -0.375 3.602 3.960 0.028 0.000 0.259 98 G HA3 -0.375 3.602 3.960 0.028 0.000 0.259 98 G C 1.143 175.979 174.900 -0.106 0.000 1.263 98 G CA 0.675 45.728 45.100 -0.077 0.000 0.928 98 G HN 0.775 nan 8.290 nan 0.000 0.572 99 R N 1.027 121.437 120.500 -0.149 0.000 2.148 99 R HA 0.362 4.719 4.340 0.028 0.000 0.223 99 R C 1.531 177.717 176.300 -0.191 0.000 1.088 99 R CA 1.823 57.802 56.100 -0.202 0.000 0.985 99 R CB -0.603 29.520 30.300 -0.296 0.000 0.880 99 R HN 2.720 nan 8.270 nan 0.000 0.451 100 G N 0.327 109.038 108.800 -0.148 0.000 2.725 100 G HA2 -0.252 3.725 3.960 0.028 0.000 0.220 100 G HA3 -0.252 3.725 3.960 0.028 0.000 0.220 100 G C 0.017 174.833 174.900 -0.140 0.000 1.357 100 G CA -0.134 44.882 45.100 -0.140 0.000 0.866 100 G HN 0.164 nan 8.290 nan 0.000 0.548 101 L N 0.742 121.898 121.223 -0.112 0.000 2.640 101 L HA 0.222 4.579 4.340 0.028 0.000 0.230 101 L C 1.302 178.161 176.870 -0.019 0.000 1.123 101 L CA -0.184 54.643 54.840 -0.021 0.000 0.900 101 L CB -0.090 42.029 42.059 0.101 0.000 1.146 101 L HN 0.435 nan 8.230 nan 0.000 0.484 102 Q N 0.119 119.727 119.800 -0.319 0.000 2.316 102 Q HA 0.091 4.448 4.340 0.028 0.000 0.215 102 Q C 1.547 177.367 176.000 -0.301 0.000 1.020 102 Q CA 0.529 56.011 55.803 -0.534 0.000 0.970 102 Q CB 0.687 28.703 28.738 -1.204 0.000 1.187 102 Q HN 0.208 nan 8.270 nan 0.000 0.546 103 T N -2.405 112.067 114.554 -0.137 0.000 2.881 103 T HA -0.058 4.309 4.350 0.028 0.000 0.270 103 T C 0.815 175.571 174.700 0.093 0.000 1.068 103 T CA 0.888 63.042 62.100 0.090 0.000 1.131 103 T CB -0.295 68.749 68.868 0.293 0.000 0.871 103 T HN 0.436 nan 8.240 nan 0.000 0.479 104 F N 0.335 120.295 119.950 0.017 0.000 2.483 104 F HA 0.728 5.272 4.527 0.029 0.000 0.329 104 F C -0.324 175.427 175.800 -0.080 0.000 1.064 104 F CA -2.516 55.489 58.000 0.010 0.000 0.986 104 F CB 0.535 39.554 39.000 0.030 0.000 1.218 104 F HN -0.239 nan 8.300 nan 0.000 0.484 105 D N 1.715 122.110 120.400 -0.009 0.000 2.325 105 D HA 0.239 4.895 4.640 0.028 0.000 0.251 105 D C 0.848 177.175 176.300 0.046 0.000 1.196 105 D CA -0.026 53.889 54.000 -0.140 0.000 0.866 105 D CB 1.655 42.263 40.800 -0.320 0.000 1.101 105 D HN 0.800 nan 8.370 nan 0.000 0.476 106 L N 5.029 126.206 121.223 -0.077 0.000 2.650 106 L HA 0.129 4.486 4.340 0.028 0.000 0.235 106 L C 1.477 178.377 176.870 0.050 0.000 1.149 106 L CA 0.500 55.341 54.840 0.001 0.000 0.887 106 L CB -1.318 40.692 42.059 -0.082 0.000 1.021 106 L HN 0.336 nan 8.230 nan 0.000 0.441 107 R N -1.088 119.442 120.500 0.050 0.000 2.738 107 R HA 0.556 4.912 4.340 0.028 0.000 0.275 107 R C 0.890 177.278 176.300 0.146 0.000 1.121 107 R CA 0.550 56.658 56.100 0.013 0.000 1.207 107 R CB 0.466 30.690 30.300 -0.127 0.000 1.141 107 R HN 0.411 nan 8.270 nan 0.000 0.571 108 T N -1.354 113.248 114.554 0.080 0.000 3.388 108 T HA -0.011 4.356 4.350 0.028 0.000 0.254 108 T C 1.599 176.354 174.700 0.091 0.000 1.002 108 T CA 0.189 62.373 62.100 0.141 0.000 1.164 108 T CB -0.047 68.869 68.868 0.081 0.000 1.184 108 T HN 0.506 nan 8.240 nan 0.000 0.399 109 T N 2.853 117.434 114.554 0.044 0.000 2.788 109 T HA -0.033 4.334 4.350 0.028 0.000 0.268 109 T C 1.899 176.621 174.700 0.036 0.000 1.044 109 T CA 0.914 63.043 62.100 0.049 0.000 1.139 109 T CB -0.351 68.573 68.868 0.094 0.000 0.867 109 T HN 0.099 nan 8.240 nan 0.000 0.454 110 I N 1.063 121.608 120.570 -0.041 0.000 2.163 110 I HA -0.190 3.997 4.170 0.028 0.000 0.243 110 I C 2.111 178.218 176.117 -0.017 0.000 1.085 110 I CA 1.550 62.802 61.300 -0.079 0.000 1.347 110 I CB -0.431 37.451 38.000 -0.196 0.000 1.044 110 I HN 0.371 nan 8.210 nan 0.000 0.408 111 H N -1.360 117.781 119.070 0.118 0.000 2.319 111 H HA -0.141 4.432 4.556 0.029 0.000 0.299 111 H C 2.323 177.715 175.328 0.106 0.000 1.092 111 H CA 1.740 57.874 56.048 0.143 0.000 1.302 111 H CB -0.242 29.604 29.762 0.139 0.000 1.373 111 H HN 0.197 nan 8.280 nan 0.000 0.497 112 V N 0.195 120.222 119.914 0.188 0.000 2.332 112 V HA -0.268 3.869 4.120 0.028 0.000 0.248 112 V C 2.385 178.534 176.094 0.091 0.000 1.055 112 V CA 1.598 63.953 62.300 0.093 0.000 1.038 112 V CB -0.474 31.351 31.823 0.003 0.000 0.651 112 V HN 0.266 nan 8.190 nan 0.000 0.450 113 V N -0.155 119.819 119.914 0.101 0.000 2.255 113 V HA -0.303 3.833 4.120 0.028 0.000 0.247 113 V C 2.583 178.746 176.094 0.114 0.000 1.051 113 V CA 2.751 65.114 62.300 0.105 0.000 1.018 113 V CB -1.034 30.852 31.823 0.104 0.000 0.641 113 V HN 0.642 nan 8.190 nan 0.000 0.445 114 T N 0.228 114.861 114.554 0.132 0.000 2.699 114 T HA -0.191 4.176 4.350 0.028 0.000 0.268 114 T C 1.870 176.637 174.700 0.112 0.000 1.036 114 T CA 1.617 63.794 62.100 0.129 0.000 1.147 114 T CB -0.790 68.174 68.868 0.160 0.000 0.862 114 T HN 0.647 nan 8.240 nan 0.000 0.446 115 G N 1.649 110.525 108.800 0.126 0.000 2.459 115 G HA2 -0.180 3.797 3.960 0.028 0.000 0.217 115 G HA3 -0.180 3.797 3.960 0.028 0.000 0.217 115 G C 1.518 176.458 174.900 0.067 0.000 1.183 115 G CA 0.748 45.905 45.100 0.096 0.000 0.776 115 G HN 0.506 nan 8.290 nan 0.000 0.552 116 I N 0.577 121.190 120.570 0.071 0.000 2.226 116 I HA -0.148 4.039 4.170 0.028 0.000 0.245 116 I C 2.621 178.785 176.117 0.078 0.000 1.100 116 I CA 1.489 62.829 61.300 0.068 0.000 1.374 116 I CB -0.487 37.560 38.000 0.079 0.000 1.057 116 I HN 0.363 nan 8.210 nan 0.000 0.413 117 E N 1.638 121.896 120.200 0.097 0.000 2.049 117 E HA -0.275 4.092 4.350 0.028 0.000 0.198 117 E C 2.309 178.943 176.600 0.058 0.000 1.007 117 E CA 1.739 58.208 56.400 0.114 0.000 0.809 117 E CB -0.038 29.737 29.700 0.124 0.000 0.749 117 E HN 0.455 nan 8.360 nan 0.000 0.450 118 A N 1.110 123.952 122.820 0.036 0.000 1.908 118 A HA -0.163 4.174 4.320 0.028 0.000 0.218 118 A C 2.387 179.954 177.584 -0.027 0.000 1.181 118 A CA 2.223 54.258 52.037 -0.003 0.000 0.627 118 A CB -0.836 18.165 19.000 0.001 0.000 0.818 118 A HN 0.449 nan 8.150 nan 0.000 0.445 119 A N -1.489 121.325 122.820 -0.010 0.000 1.929 119 A HA -0.006 4.331 4.320 0.028 0.000 0.216 119 A C 2.152 179.716 177.584 -0.033 0.000 1.176 119 A CA 1.739 53.763 52.037 -0.021 0.000 0.628 119 A CB -0.402 18.594 19.000 -0.007 0.000 0.816 119 A HN 0.413 nan 8.150 nan 0.000 0.444 120 M N -0.430 119.158 119.600 -0.020 0.000 2.132 120 M HA 0.008 4.505 4.480 0.028 0.000 0.263 120 M C 2.145 178.344 176.300 -0.167 0.000 1.065 120 M CA 1.173 56.443 55.300 -0.050 0.000 1.122 120 M CB -1.285 31.336 32.600 0.035 0.000 1.365 120 M HN 0.396 nan 8.290 nan 0.000 0.411 121 L N -0.114 121.006 121.223 -0.172 0.000 2.046 121 L HA -0.251 4.106 4.340 0.028 0.000 0.208 121 L C 2.246 179.005 176.870 -0.185 0.000 1.077 121 L CA 1.365 56.063 54.840 -0.236 0.000 0.747 121 L CB -0.690 41.283 42.059 -0.144 0.000 0.896 121 L HN 0.273 nan 8.230 nan 0.000 0.432 122 D N 0.252 120.571 120.400 -0.136 0.000 2.158 122 D HA -0.202 4.455 4.640 0.028 0.000 0.197 122 D C 2.261 178.494 176.300 -0.112 0.000 0.995 122 D CA 1.383 55.307 54.000 -0.127 0.000 0.846 122 D CB 0.012 40.754 40.800 -0.095 0.000 0.941 122 D HN 0.226 nan 8.370 nan 0.000 0.456 123 L N -0.426 120.746 121.223 -0.085 0.000 2.044 123 L HA -0.124 4.233 4.340 0.028 0.000 0.205 123 L C 2.526 179.393 176.870 -0.005 0.000 1.075 123 L CA 0.472 55.293 54.840 -0.033 0.000 0.747 123 L CB -0.433 41.620 42.059 -0.009 0.000 0.903 123 L HN 0.151 nan 8.230 nan 0.000 0.435 124 L N 0.317 121.494 121.223 -0.077 0.000 2.042 124 L HA -0.118 4.239 4.340 0.028 0.000 0.210 124 L C 2.356 179.207 176.870 -0.032 0.000 1.076 124 L CA 2.166 56.972 54.840 -0.056 0.000 0.749 124 L CB -1.101 40.800 42.059 -0.263 0.000 0.893 124 L HN 0.170 nan 8.230 nan 0.000 0.432 125 G N -1.652 107.089 108.800 -0.098 0.000 2.446 125 G HA2 -0.280 3.697 3.960 0.028 0.000 0.217 125 G HA3 -0.280 3.697 3.960 0.028 0.000 0.217 125 G C 1.438 176.290 174.900 -0.081 0.000 1.168 125 G CA 0.772 45.813 45.100 -0.099 0.000 0.771 125 G HN 0.533 nan 8.290 nan 0.000 0.551 126 Q N -0.638 119.106 119.800 -0.093 0.000 2.030 126 Q HA -0.182 4.175 4.340 0.028 0.000 0.204 126 Q C 2.336 178.333 176.000 -0.005 0.000 0.986 126 Q CA 1.645 57.361 55.803 -0.146 0.000 0.843 126 Q CB -0.326 28.211 28.738 -0.335 0.000 0.904 126 Q HN 0.702 nan 8.270 nan 0.000 0.420 127 H N 0.754 119.845 119.070 0.035 0.000 2.319 127 H HA -0.072 4.500 4.556 0.028 0.000 0.299 127 H C 1.709 177.061 175.328 0.040 0.000 1.092 127 H CA 1.545 57.651 56.048 0.097 0.000 1.302 127 H CB -0.232 29.575 29.762 0.075 0.000 1.373 127 H HN 0.115 nan 8.280 nan 0.000 0.497 128 L N -0.759 120.370 121.223 -0.155 0.000 2.465 128 L HA 0.084 4.441 4.340 0.028 0.000 0.224 128 L C 1.641 178.434 176.870 -0.129 0.000 1.145 128 L CA 0.670 55.394 54.840 -0.194 0.000 0.834 128 L CB -0.171 41.836 42.059 -0.088 0.000 0.944 128 L HN 0.702 nan 8.230 nan 0.000 0.451 129 G N 0.700 109.442 108.800 -0.095 0.000 2.147 129 G HA2 -0.229 3.748 3.960 0.028 0.000 0.244 129 G HA3 -0.229 3.748 3.960 0.028 0.000 0.244 129 G C 0.092 174.960 174.900 -0.053 0.000 1.005 129 G CA 0.246 45.306 45.100 -0.068 0.000 0.713 129 G HN 0.325 nan 8.290 nan 0.000 0.515 130 V N -2.675 117.205 119.914 -0.057 0.000 3.078 130 V HA 0.786 4.923 4.120 0.028 0.000 0.311 130 V C 0.314 176.375 176.094 -0.055 0.000 1.138 130 V CA -0.986 61.288 62.300 -0.043 0.000 1.007 130 V CB 1.541 33.343 31.823 -0.035 0.000 1.045 130 V HN 0.686 nan 8.190 nan 0.000 0.432 131 N N 1.056 119.739 118.700 -0.028 0.000 2.371 131 N HA 0.182 4.939 4.740 0.028 0.000 0.243 131 N C 0.780 176.209 175.510 -0.134 0.000 1.287 131 N CA -0.277 52.748 53.050 -0.042 0.000 0.911 131 N CB 1.548 40.127 38.487 0.153 0.000 1.142 131 N HN 0.471 nan 8.380 nan 0.000 0.451 132 V N 1.055 120.730 119.914 -0.398 0.000 2.343 132 V HA -0.276 3.861 4.120 0.028 0.000 0.247 132 V C 2.649 178.686 176.094 -0.096 0.000 1.051 132 V CA 2.329 64.423 62.300 -0.343 0.000 1.036 132 V CB -1.336 30.145 31.823 -0.569 0.000 0.654 132 V HN 0.914 nan 8.190 nan 0.000 0.451 133 A N -0.299 122.592 122.820 0.117 0.000 1.917 133 A HA -0.272 4.065 4.320 0.028 0.000 0.219 133 A C 2.450 180.062 177.584 0.045 0.000 1.182 133 A CA 2.476 54.605 52.037 0.155 0.000 0.633 133 A CB -0.802 18.342 19.000 0.239 0.000 0.819 133 A HN 0.529 nan 8.150 nan 0.000 0.448 134 S N -0.464 115.254 115.700 0.029 0.000 2.442 134 S HA -0.017 4.469 4.470 0.028 0.000 0.236 134 S C 1.392 175.989 174.600 -0.005 0.000 1.007 134 S CA 1.216 59.419 58.200 0.004 0.000 0.965 134 S CB -0.311 62.888 63.200 -0.002 0.000 0.773 134 S HN 0.529 nan 8.310 nan 0.000 0.504 135 L N 0.578 121.793 121.223 -0.013 0.000 2.592 135 L HA 0.320 4.677 4.340 0.028 0.000 0.227 135 L C -0.071 176.809 176.870 0.016 0.000 1.127 135 L CA 0.116 54.953 54.840 -0.004 0.000 0.884 135 L CB -0.156 41.884 42.059 -0.033 0.000 1.065 135 L HN 0.153 nan 8.230 nan 0.000 0.457 136 L N -1.118 120.109 121.223 0.006 0.000 2.330 136 L HA 0.636 4.993 4.340 0.028 0.000 0.271 136 L C 1.298 178.158 176.870 -0.017 0.000 1.013 136 L CA -0.358 54.486 54.840 0.006 0.000 0.816 136 L CB 1.513 43.572 42.059 0.000 0.000 1.287 136 L HN 0.140 nan 8.230 nan 0.000 0.435 137 G N 1.369 110.156 108.800 -0.022 0.000 2.685 137 G HA2 -0.334 3.643 3.960 0.028 0.000 0.329 137 G HA3 -0.334 3.643 3.960 0.028 0.000 0.329 137 G C 0.326 175.206 174.900 -0.033 0.000 1.271 137 G CA 0.641 45.715 45.100 -0.044 0.000 1.003 137 G HN 0.742 nan 8.290 nan 0.000 0.549 138 D N 3.057 123.428 120.400 -0.048 0.000 2.395 138 D HA 0.455 5.112 4.640 0.028 0.000 0.226 138 D C 1.299 177.579 176.300 -0.033 0.000 1.146 138 D CA 1.588 55.567 54.000 -0.035 0.000 0.830 138 D CB -0.111 40.668 40.800 -0.035 0.000 0.958 138 D HN 1.490 nan 8.370 nan 0.000 0.501 139 G N 1.240 110.021 108.800 -0.031 0.000 2.660 139 G HA2 -0.232 3.745 3.960 0.028 0.000 0.247 139 G HA3 -0.232 3.745 3.960 0.028 0.000 0.247 139 G C -0.399 174.481 174.900 -0.033 0.000 1.328 139 G CA -0.884 44.202 45.100 -0.023 0.000 0.884 139 G HN 0.263 nan 8.290 nan 0.000 0.531 140 Q N -0.016 119.772 119.800 -0.020 0.000 2.311 140 Q HA 0.306 4.663 4.340 0.028 0.000 0.272 140 Q C 1.184 177.158 176.000 -0.043 0.000 1.012 140 Q CA 0.269 56.059 55.803 -0.023 0.000 0.891 140 Q CB 0.369 29.105 28.738 -0.003 0.000 1.201 140 Q HN 0.532 nan 8.270 nan 0.000 0.391 141 Q N 3.165 122.928 119.800 -0.062 0.000 2.350 141 Q HA 0.129 4.486 4.340 0.028 0.000 0.225 141 Q C -0.141 175.821 176.000 -0.064 0.000 0.878 141 Q CA 0.576 56.332 55.803 -0.078 0.000 0.935 141 Q CB 0.915 29.579 28.738 -0.124 0.000 1.099 141 Q HN 0.651 nan 8.270 nan 0.000 0.527 142 R N -0.939 119.531 120.500 -0.051 0.000 2.680 142 R HA 0.427 4.784 4.340 0.028 0.000 0.269 142 R C 0.109 176.386 176.300 -0.039 0.000 1.026 142 R CA -0.127 55.949 56.100 -0.040 0.000 0.889 142 R CB 0.490 30.770 30.300 -0.033 0.000 1.241 142 R HN -0.103 nan 8.270 nan 0.000 0.463 143 S N -0.748 114.929 115.700 -0.039 0.000 2.540 143 S HA 0.050 4.537 4.470 0.028 0.000 0.218 143 S C -0.020 174.544 174.600 -0.060 0.000 0.977 143 S CA -0.048 58.122 58.200 -0.051 0.000 0.918 143 S CB -0.246 62.927 63.200 -0.045 0.000 0.806 143 S HN 0.695 nan 8.310 nan 0.000 0.496 144 E N -0.002 120.173 120.200 -0.041 0.000 2.352 144 E HA 0.585 4.952 4.350 0.028 0.000 0.280 144 E C -1.838 174.762 176.600 0.000 0.000 0.930 144 E CA -1.096 55.285 56.400 -0.033 0.000 0.765 144 E CB 1.923 31.606 29.700 -0.027 0.000 1.219 144 E HN -0.021 nan 8.360 nan 0.000 0.434 145 V N 1.794 121.723 119.914 0.025 0.000 2.417 145 V HA 0.268 4.405 4.120 0.028 0.000 0.291 145 V C -0.216 175.933 176.094 0.092 0.000 1.024 145 V CA -0.710 61.634 62.300 0.074 0.000 0.861 145 V CB 1.349 33.241 31.823 0.115 0.000 0.985 145 V HN 0.811 nan 8.190 nan 0.000 0.436 146 E N 5.579 125.832 120.200 0.088 0.000 2.194 146 E HA 0.404 4.771 4.350 0.028 0.000 0.284 146 E C -0.611 176.048 176.600 0.098 0.000 1.035 146 E CA -0.444 56.008 56.400 0.086 0.000 0.836 146 E CB 0.690 30.425 29.700 0.059 0.000 1.070 146 E HN 0.538 nan 8.360 nan 0.000 0.401 147 M N 4.952 124.637 119.600 0.142 0.000 2.363 147 M HA 0.297 4.794 4.480 0.028 0.000 0.343 147 M C -0.586 175.743 176.300 0.048 0.000 1.165 147 M CA -1.210 54.175 55.300 0.142 0.000 1.046 147 M CB 0.902 33.666 32.600 0.273 0.000 1.648 147 M HN 0.456 nan 8.290 nan 0.000 0.452 148 L N 0.419 121.522 121.223 -0.201 0.000 2.375 148 L HA 0.900 5.257 4.340 0.028 0.000 0.268 148 L C 0.496 176.701 176.870 -1.109 0.000 1.058 148 L CA -0.424 54.104 54.840 -0.520 0.000 0.803 148 L CB 0.054 41.870 42.059 -0.407 0.000 1.212 148 L HN 0.737 nan 8.230 nan 0.000 0.451 149 G N 0.182 107.998 108.800 -1.639 0.000 2.356 149 G HA2 0.259 4.236 3.960 0.028 0.000 0.300 149 G HA3 0.259 4.236 3.960 0.028 0.000 0.300 149 G C -1.054 173.539 174.900 -0.513 0.000 1.107 149 G CA -0.169 43.907 45.100 -1.708 0.000 0.960 149 G HN 0.551 nan 8.290 nan 0.000 0.418 150 Y N 4.558 124.614 120.300 -0.406 0.000 2.600 150 Y HA 0.343 4.911 4.550 0.029 0.000 0.351 150 Y C 0.456 176.486 175.900 0.217 0.000 1.042 150 Y CA -1.368 56.670 58.100 -0.105 0.000 1.333 150 Y CB 0.067 38.511 38.460 -0.027 0.000 1.172 150 Y HN 0.317 nan 8.280 nan 0.000 0.517 151 L N 5.758 127.226 121.223 0.408 0.000 2.375 151 L HA 0.454 4.811 4.340 0.028 0.000 0.271 151 L C -0.749 176.231 176.870 0.182 0.000 1.107 151 L CA -0.319 54.750 54.840 0.381 0.000 0.806 151 L CB 0.772 42.898 42.059 0.111 0.000 1.146 151 L HN 0.364 nan 8.230 nan 0.000 0.447 152 F N 0.264 120.326 119.950 0.187 0.000 2.631 152 F HA 0.458 5.002 4.527 0.029 0.000 0.308 152 F C -0.316 175.397 175.800 -0.145 0.000 1.097 152 F CA -0.521 57.419 58.000 -0.101 0.000 0.952 152 F CB 1.716 40.504 39.000 -0.353 0.000 1.307 152 F HN 0.090 nan 8.300 nan 0.000 0.450 153 F N 2.011 122.083 119.950 0.203 0.000 2.443 153 F HA 0.471 5.014 4.527 0.028 0.000 0.353 153 F C 0.108 175.930 175.800 0.036 0.000 1.101 153 F CA -0.584 57.485 58.000 0.115 0.000 1.226 153 F CB 0.636 39.680 39.000 0.074 0.000 1.140 153 F HN -0.077 nan 8.300 nan 0.000 0.557 154 V N 3.243 123.278 119.914 0.201 0.000 2.417 154 V HA 0.591 4.728 4.120 0.028 0.000 0.291 154 V C 0.548 176.632 176.094 -0.016 0.000 1.024 154 V CA -0.966 61.338 62.300 0.005 0.000 0.861 154 V CB 1.082 32.903 31.823 -0.004 0.000 0.985 154 V HN 0.922 nan 8.190 nan 0.000 0.436 155 G N 2.338 111.073 108.800 -0.108 0.000 2.616 155 G HA2 0.147 4.124 3.960 0.028 0.000 0.268 155 G HA3 0.147 4.124 3.960 0.028 0.000 0.268 155 G C -0.041 174.771 174.900 -0.147 0.000 1.213 155 G CA -0.564 44.469 45.100 -0.112 0.000 0.926 155 G HN 0.773 nan 8.290 nan 0.000 0.523 156 N N -0.116 118.517 118.700 -0.112 0.000 2.415 156 N HA 0.045 4.802 4.740 0.028 0.000 0.250 156 N C 1.917 177.336 175.510 -0.153 0.000 1.127 156 N CA -0.462 52.523 53.050 -0.108 0.000 0.945 156 N CB 0.332 38.785 38.487 -0.058 0.000 1.196 156 N HN 0.586 nan 8.380 nan 0.000 0.499 157 R N 2.976 123.335 120.500 -0.234 0.000 2.200 157 R HA -0.152 4.205 4.340 0.028 0.000 0.234 157 R C 1.010 177.268 176.300 -0.070 0.000 1.127 157 R CA 1.034 56.984 56.100 -0.249 0.000 0.989 157 R CB -0.143 29.993 30.300 -0.273 0.000 0.869 157 R HN 0.462 nan 8.270 nan 0.000 0.459 158 K N 0.723 121.082 120.400 -0.068 0.000 2.362 158 K HA 0.033 4.370 4.320 0.028 0.000 0.200 158 K C 1.695 178.270 176.600 -0.043 0.000 1.046 158 K CA 1.005 57.265 56.287 -0.044 0.000 0.952 158 K CB 0.122 32.601 32.500 -0.035 0.000 0.753 158 K HN 0.308 nan 8.250 nan 0.000 0.466 159 A N 1.338 124.132 122.820 -0.044 0.000 2.278 159 A HA 0.003 4.340 4.320 0.028 0.000 0.212 159 A C 0.746 178.302 177.584 -0.048 0.000 1.213 159 A CA 0.380 52.403 52.037 -0.023 0.000 0.840 159 A CB -0.263 18.736 19.000 -0.002 0.000 0.866 159 A HN 0.305 nan 8.150 nan 0.000 0.489 160 T N -4.822 109.654 114.554 -0.129 0.000 2.916 160 T HA 0.590 4.957 4.350 0.028 0.000 0.292 160 T C -2.593 171.901 174.700 -0.343 0.000 1.064 160 T CA -1.639 60.227 62.100 -0.391 0.000 1.011 160 T CB 2.168 70.814 68.868 -0.370 0.000 1.152 160 T HN -0.063 nan 8.240 nan 0.000 0.510 161 P HA 0.282 nan 4.420 nan 0.000 0.255 161 P C 0.201 177.363 177.300 -0.230 0.000 1.248 161 P CA -0.163 62.778 63.100 -0.266 0.000 0.807 161 P CB -0.064 31.520 31.700 -0.194 0.000 1.150 162 L N 2.320 123.351 121.223 -0.319 0.000 2.456 162 L HA 0.171 4.528 4.340 0.028 0.000 0.272 162 L C -1.360 175.352 176.870 -0.263 0.000 1.189 162 L CA -1.739 52.919 54.840 -0.303 0.000 0.846 162 L CB -0.527 41.268 42.059 -0.438 0.000 1.111 162 L HN -0.162 nan 8.230 nan 0.000 0.475 163 P HA 0.025 nan 4.420 nan 0.000 0.238 163 P C -0.839 176.232 177.300 -0.381 0.000 1.714 163 P CA -0.004 62.950 63.100 -0.244 0.000 0.908 163 P CB -0.498 31.122 31.700 -0.133 0.000 1.893 164 Y N 0.900 121.068 120.300 -0.220 0.000 2.425 164 Y HA 0.037 4.604 4.550 0.028 0.000 0.331 164 Y C 1.893 177.678 175.900 -0.192 0.000 1.157 164 Y CA -0.366 57.606 58.100 -0.215 0.000 1.372 164 Y CB 0.679 39.046 38.460 -0.155 0.000 1.253 164 Y HN 0.258 nan 8.280 nan 0.000 0.536 165 Q N 1.729 121.507 119.800 -0.035 0.000 2.584 165 Q HA 0.537 4.894 4.340 0.028 0.000 0.218 165 Q C -0.701 175.078 176.000 -0.367 0.000 1.079 165 Q CA -0.416 55.261 55.803 -0.211 0.000 1.008 165 Q CB 1.062 29.634 28.738 -0.277 0.000 1.267 165 Q HN 0.655 nan 8.270 nan 0.000 0.586 166 S N -0.613 114.737 115.700 -0.584 0.000 2.567 166 S HA 0.324 4.811 4.470 0.028 0.000 0.270 166 S C -1.055 173.231 174.600 -0.522 0.000 1.152 166 S CA -1.008 56.801 58.200 -0.652 0.000 0.835 166 S CB 1.511 64.569 63.200 -0.238 0.000 1.115 166 S HN 0.733 nan 8.310 nan 0.000 0.459 167 Q N 0.309 119.947 119.800 -0.270 0.000 2.458 167 Q HA 0.273 4.629 4.340 0.028 0.000 0.332 167 Q C -2.301 173.701 176.000 0.004 0.000 0.825 167 Q CA -1.530 54.221 55.803 -0.086 0.000 1.076 167 Q CB 1.134 29.871 28.738 -0.001 0.000 1.394 167 Q HN 0.541 nan 8.270 nan 0.000 0.393 168 P HA -0.212 nan 4.420 nan 0.000 0.218 168 P C -0.025 177.278 177.300 0.005 0.000 1.147 168 P CA 1.549 64.647 63.100 -0.003 0.000 0.827 168 P CB 0.265 31.952 31.700 -0.022 0.000 0.778 169 D N -1.372 119.030 120.400 0.003 0.000 2.571 169 D HA 0.098 4.755 4.640 0.028 0.000 0.239 169 D C -0.164 176.149 176.300 0.021 0.000 1.267 169 D CA -0.277 53.728 54.000 0.009 0.000 0.823 169 D CB 0.006 40.806 40.800 0.001 0.000 1.056 169 D HN 0.192 nan 8.370 nan 0.000 0.494 170 D N 0.737 121.159 120.400 0.037 0.000 2.414 170 D HA -0.004 4.653 4.640 0.028 0.000 0.242 170 D C 1.679 178.011 176.300 0.054 0.000 1.129 170 D CA 0.117 54.154 54.000 0.062 0.000 0.885 170 D CB 1.139 42.010 40.800 0.119 0.000 1.198 170 D HN -0.116 nan 8.370 nan 0.000 0.437 171 S N 1.885 117.615 115.700 0.052 0.000 2.399 171 S HA -0.185 4.302 4.470 0.028 0.000 0.231 171 S C 1.332 175.942 174.600 0.016 0.000 1.022 171 S CA -0.080 58.138 58.200 0.030 0.000 0.983 171 S CB -0.323 62.892 63.200 0.025 0.000 0.803 171 S HN 0.567 nan 8.310 nan 0.000 0.480 172 C N 3.254 122.571 119.300 0.028 0.000 2.442 172 C HA 0.326 4.803 4.460 0.028 0.000 0.362 172 C C 1.365 176.335 174.990 -0.035 0.000 1.242 172 C CA -0.801 58.181 59.018 -0.059 0.000 1.741 172 C CB -1.051 26.564 27.740 -0.209 0.000 2.378 172 C HN 0.418 nan 8.230 nan 0.000 0.549 173 D N 3.010 123.395 120.400 -0.025 0.000 2.133 173 D HA -0.191 4.465 4.640 0.028 0.000 0.192 173 D C 1.655 177.976 176.300 0.035 0.000 1.001 173 D CA 1.737 55.748 54.000 0.018 0.000 0.844 173 D CB -0.323 40.502 40.800 0.043 0.000 0.944 173 D HN 0.926 nan 8.370 nan 0.000 0.447 174 W N 0.570 121.770 121.300 -0.166 0.000 2.332 174 W HA -0.309 4.368 4.660 0.028 0.000 0.321 174 W C 1.789 178.280 176.519 -0.046 0.000 1.219 174 W CA 1.016 58.264 57.345 -0.161 0.000 1.277 174 W CB -0.469 28.816 29.460 -0.292 0.000 1.161 174 W HN 0.022 nan 8.180 nan 0.000 0.476 175 Y N 0.730 120.861 120.300 -0.281 0.000 2.256 175 Y HA -0.197 4.370 4.550 0.028 0.000 0.288 175 Y C 2.755 178.510 175.900 -0.242 0.000 1.155 175 Y CA 1.789 59.691 58.100 -0.330 0.000 1.203 175 Y CB -1.407 37.014 38.460 -0.064 0.000 0.980 175 Y HN 0.116 nan 8.280 nan 0.000 0.530 176 R N 0.102 120.608 120.500 0.010 0.000 2.057 176 R HA -0.038 4.319 4.340 0.028 0.000 0.224 176 R C 1.990 178.261 176.300 -0.049 0.000 1.136 176 R CA 0.907 57.029 56.100 0.038 0.000 0.968 176 R CB -0.453 29.869 30.300 0.037 0.000 0.863 176 R HN 0.289 nan 8.270 nan 0.000 0.433 177 L N 1.683 122.822 121.223 -0.140 0.000 2.275 177 L HA -0.063 4.294 4.340 0.028 0.000 0.215 177 L C 2.463 179.163 176.870 -0.284 0.000 1.119 177 L CA 1.044 55.801 54.840 -0.139 0.000 0.790 177 L CB -0.307 41.719 42.059 -0.056 0.000 0.919 177 L HN 0.257 nan 8.230 nan 0.000 0.443 178 R N -0.776 119.313 120.500 -0.684 0.000 2.293 178 R HA -0.135 4.222 4.340 0.028 0.000 0.219 178 R C 1.079 177.096 176.300 -0.470 0.000 1.091 178 R CA 1.185 56.786 56.100 -0.831 0.000 1.004 178 R CB -0.616 28.740 30.300 -1.574 0.000 0.865 178 R HN 0.518 nan 8.270 nan 0.000 0.469 179 H N 0.235 119.219 119.070 -0.143 0.000 2.652 179 H HA 0.267 4.840 4.556 0.028 0.000 0.274 179 H C -0.240 175.029 175.328 -0.099 0.000 1.021 179 H CA -0.202 55.786 56.048 -0.100 0.000 1.187 179 H CB 0.553 30.258 29.762 -0.095 0.000 1.505 179 H HN 0.222 nan 8.280 nan 0.000 0.530 180 E N 1.675 121.880 120.200 0.008 0.000 2.214 180 E HA 0.129 4.496 4.350 0.028 0.000 0.274 180 E C 0.076 176.674 176.600 -0.004 0.000 0.977 180 E CA -0.598 55.800 56.400 -0.003 0.000 0.827 180 E CB 2.024 31.727 29.700 0.006 0.000 1.130 180 E HN 0.279 nan 8.360 nan 0.000 0.394 181 E N 0.870 121.062 120.200 -0.013 0.000 2.534 181 E HA 0.120 4.487 4.350 0.028 0.000 0.264 181 E C -1.130 175.503 176.600 0.054 0.000 0.981 181 E CA 0.176 56.578 56.400 0.003 0.000 0.948 181 E CB 0.364 30.061 29.700 -0.005 0.000 0.934 181 E HN 0.505 nan 8.360 nan 0.000 0.459 182 A N 6.021 128.903 122.820 0.104 0.000 2.611 182 A HA 0.323 4.660 4.320 0.028 0.000 0.282 182 A C -0.419 177.345 177.584 0.299 0.000 1.114 182 A CA -0.640 51.503 52.037 0.176 0.000 0.800 182 A CB 0.926 20.036 19.000 0.184 0.000 1.325 182 A HN 0.598 nan 8.150 nan 0.000 0.411 183 M N 1.582 121.320 119.600 0.230 0.000 2.414 183 M HA 0.169 4.665 4.480 0.028 0.000 0.357 183 M C 0.328 176.706 176.300 0.130 0.000 1.059 183 M CA 0.501 55.899 55.300 0.163 0.000 0.959 183 M CB -0.025 32.576 32.600 0.001 0.000 1.522 183 M HN 0.851 nan 8.290 nan 0.000 0.551 184 T N -3.594 111.108 114.554 0.246 0.000 2.883 184 T HA 0.560 4.927 4.350 0.028 0.000 0.296 184 T C -2.536 172.312 174.700 0.246 0.000 1.117 184 T CA -1.397 60.818 62.100 0.192 0.000 1.006 184 T CB 2.658 71.590 68.868 0.107 0.000 1.191 184 T HN -0.278 nan 8.240 nan 0.000 0.508 185 P HA -0.048 nan 4.420 nan 0.000 0.215 185 P C 0.959 178.321 177.300 0.103 0.000 1.157 185 P CA 1.105 64.295 63.100 0.150 0.000 0.868 185 P CB -0.044 31.725 31.700 0.114 0.000 0.788 186 D N -0.568 119.883 120.400 0.086 0.000 2.116 186 D HA -0.163 4.494 4.640 0.028 0.000 0.193 186 D C 2.014 178.359 176.300 0.075 0.000 0.998 186 D CA 1.792 55.831 54.000 0.065 0.000 0.836 186 D CB -0.917 39.915 40.800 0.054 0.000 0.951 186 D HN 0.053 nan 8.370 nan 0.000 0.449 187 A N 0.345 123.223 122.820 0.097 0.000 1.933 187 A HA -0.129 4.208 4.320 0.028 0.000 0.218 187 A C 2.513 180.161 177.584 0.107 0.000 1.175 187 A CA 1.197 53.297 52.037 0.104 0.000 0.628 187 A CB -0.638 18.437 19.000 0.125 0.000 0.814 187 A HN 0.162 nan 8.150 nan 0.000 0.444 188 V N -0.445 119.529 119.914 0.100 0.000 2.358 188 V HA -0.207 3.929 4.120 0.028 0.000 0.246 188 V C 2.558 178.670 176.094 0.030 0.000 1.047 188 V CA 1.888 64.210 62.300 0.037 0.000 1.035 188 V CB -0.681 31.110 31.823 -0.053 0.000 0.658 188 V HN 0.373 nan 8.190 nan 0.000 0.452 189 V N 0.138 120.077 119.914 0.042 0.000 2.407 189 V HA -0.262 3.875 4.120 0.028 0.000 0.248 189 V C 2.589 178.733 176.094 0.083 0.000 1.055 189 V CA 2.020 64.351 62.300 0.051 0.000 1.049 189 V CB -0.839 31.009 31.823 0.041 0.000 0.662 189 V HN 0.503 nan 8.190 nan 0.000 0.455 190 R N -0.295 120.256 120.500 0.085 0.000 2.091 190 R HA -0.120 4.237 4.340 0.028 0.000 0.238 190 R C 2.312 178.700 176.300 0.146 0.000 1.136 190 R CA 1.404 57.566 56.100 0.103 0.000 0.959 190 R CB -0.495 29.856 30.300 0.085 0.000 0.856 190 R HN 0.408 nan 8.270 nan 0.000 0.437 191 L N 0.273 121.590 121.223 0.156 0.000 2.046 191 L HA -0.180 4.177 4.340 0.028 0.000 0.208 191 L C 2.717 179.726 176.870 0.232 0.000 1.077 191 L CA 1.292 56.280 54.840 0.247 0.000 0.747 191 L CB -0.574 41.641 42.059 0.260 0.000 0.896 191 L HN 0.271 nan 8.230 nan 0.000 0.432 192 A N -0.280 122.588 122.820 0.080 0.000 1.902 192 A HA -0.236 4.101 4.320 0.028 0.000 0.217 192 A C 2.129 179.804 177.584 0.151 0.000 1.181 192 A CA 1.683 53.658 52.037 -0.103 0.000 0.623 192 A CB -0.471 18.174 19.000 -0.592 0.000 0.818 192 A HN 0.428 nan 8.150 nan 0.000 0.443 193 E N -0.374 119.997 120.200 0.286 0.000 2.058 193 E HA -0.169 4.198 4.350 0.028 0.000 0.194 193 E C 2.303 179.092 176.600 0.316 0.000 0.997 193 E CA 1.124 57.758 56.400 0.391 0.000 0.801 193 E CB -0.281 29.562 29.700 0.238 0.000 0.746 193 E HN 0.627 nan 8.360 nan 0.000 0.450 194 A N 1.124 124.092 122.820 0.247 0.000 1.930 194 A HA -0.085 4.252 4.320 0.028 0.000 0.217 194 A C 2.335 180.007 177.584 0.146 0.000 1.175 194 A CA 1.598 53.767 52.037 0.220 0.000 0.627 194 A CB -0.541 18.639 19.000 0.300 0.000 0.815 194 A HN 0.306 nan 8.150 nan 0.000 0.443 195 A N -1.416 121.483 122.820 0.131 0.000 1.898 195 A HA -0.076 4.261 4.320 0.028 0.000 0.216 195 A C 2.137 179.793 177.584 0.121 0.000 1.181 195 A CA 1.630 53.630 52.037 -0.062 0.000 0.620 195 A CB -0.799 18.166 19.000 -0.059 0.000 0.819 195 A HN 0.724 nan 8.150 nan 0.000 0.442 196 Y N 0.694 121.113 120.300 0.199 0.000 2.145 196 Y HA -0.211 4.355 4.550 0.028 0.000 0.286 196 Y C 2.330 178.232 175.900 0.003 0.000 1.145 196 Y CA 2.194 60.398 58.100 0.172 0.000 1.148 196 Y CB -0.440 38.241 38.460 0.367 0.000 0.981 196 Y HN 0.522 nan 8.280 nan 0.000 0.507 197 E N -0.043 120.078 120.200 -0.131 0.000 2.085 197 E HA -0.319 4.048 4.350 0.028 0.000 0.194 197 E C 2.095 178.453 176.600 -0.403 0.000 0.994 197 E CA 1.784 58.027 56.400 -0.261 0.000 0.801 197 E CB -0.148 29.514 29.700 -0.062 0.000 0.743 197 E HN 0.302 nan 8.360 nan 0.000 0.453 198 K N -0.292 119.833 120.400 -0.458 0.000 2.044 198 K HA -0.095 4.242 4.320 0.028 0.000 0.204 198 K C 1.413 177.445 176.600 -0.948 0.000 1.049 198 K CA 1.563 57.403 56.287 -0.745 0.000 0.945 198 K CB -0.284 31.647 32.500 -0.948 0.000 0.724 198 K HN 0.266 nan 8.250 nan 0.000 0.440 199 Y N -1.439 118.510 120.300 -0.585 0.000 2.462 199 Y HA 0.302 4.869 4.550 0.029 0.000 0.253 199 Y C 1.142 176.545 175.900 -0.829 0.000 1.095 199 Y CA 0.039 57.676 58.100 -0.772 0.000 1.283 199 Y CB 0.791 38.538 38.460 -1.188 0.000 1.138 199 Y HN 0.202 nan 8.280 nan 0.000 0.522 200 G N 0.691 109.090 108.800 -0.668 0.000 2.198 200 G HA2 -0.301 3.676 3.960 0.028 0.000 0.257 200 G HA3 -0.301 3.676 3.960 0.028 0.000 0.257 200 G C -0.250 174.553 174.900 -0.162 0.000 1.042 200 G CA -0.424 44.336 45.100 -0.566 0.000 0.791 200 G HN 0.134 nan 8.290 nan 0.000 0.502 201 F N 0.348 120.315 119.950 0.028 0.000 2.602 201 F HA 0.200 4.744 4.527 0.029 0.000 0.367 201 F C 1.623 177.342 175.800 -0.134 0.000 1.126 201 F CA 0.207 58.089 58.000 -0.196 0.000 1.321 201 F CB 0.433 38.994 39.000 -0.732 0.000 1.094 201 F HN 0.051 nan 8.300 nan 0.000 0.594 202 N N 0.753 119.465 118.700 0.020 0.000 2.439 202 N HA -0.010 4.747 4.740 0.028 0.000 0.176 202 N C -0.347 175.079 175.510 -0.141 0.000 1.029 202 N CA 0.559 53.610 53.050 0.002 0.000 0.886 202 N CB 0.173 38.687 38.487 0.044 0.000 1.057 202 N HN 0.511 nan 8.380 nan 0.000 0.437 203 D N -0.218 120.003 120.400 -0.298 0.000 2.269 203 D HA 0.434 5.091 4.640 0.028 0.000 0.244 203 D C -0.635 175.219 176.300 -0.743 0.000 0.992 203 D CA -0.196 53.608 54.000 -0.327 0.000 0.894 203 D CB 1.580 42.283 40.800 -0.161 0.000 1.248 203 D HN -0.137 nan 8.370 nan 0.000 0.468 204 F N 0.046 119.854 119.950 -0.236 0.000 2.613 204 F HA 0.420 4.964 4.527 0.028 0.000 0.314 204 F C 0.227 175.847 175.800 -0.301 0.000 1.075 204 F CA -1.001 56.809 58.000 -0.316 0.000 0.945 204 F CB 2.356 41.169 39.000 -0.310 0.000 1.310 204 F HN -0.048 nan 8.300 nan 0.000 0.467 205 K N 1.986 122.309 120.400 -0.127 0.000 2.443 205 K HA 0.694 5.031 4.320 0.028 0.000 0.252 205 K C -2.222 174.274 176.600 -0.174 0.000 0.933 205 K CA -0.783 55.353 56.287 -0.251 0.000 0.792 205 K CB 2.171 34.359 32.500 -0.520 0.000 1.185 205 K HN 0.637 nan 8.250 nan 0.000 0.425 206 L N 3.751 124.871 121.223 -0.171 0.000 2.313 206 L HA 0.461 4.817 4.340 0.028 0.000 0.283 206 L C -0.827 175.929 176.870 -0.189 0.000 1.013 206 L CA -0.345 54.390 54.840 -0.175 0.000 0.816 206 L CB 1.266 43.222 42.059 -0.172 0.000 1.236 206 L HN 0.605 nan 8.230 nan 0.000 0.419 207 K N 3.584 123.808 120.400 -0.293 0.000 2.383 207 K HA 0.572 4.909 4.320 0.028 0.000 0.286 207 K C 0.196 176.770 176.600 -0.044 0.000 1.051 207 K CA 0.435 56.561 56.287 -0.269 0.000 0.974 207 K CB 0.642 32.668 32.500 -0.790 0.000 0.968 207 K HN 0.819 nan 8.250 nan 0.000 0.475 208 G N 1.666 110.489 108.800 0.038 0.000 2.857 208 G HA2 0.470 4.447 3.960 0.028 0.000 0.217 208 G HA3 0.470 4.447 3.960 0.028 0.000 0.217 208 G C 0.301 175.296 174.900 0.158 0.000 1.357 208 G CA -0.595 44.609 45.100 0.174 0.000 1.033 208 G HN 1.070 nan 8.290 nan 0.000 0.571 209 G N -2.368 106.521 108.800 0.150 0.000 2.198 209 G HA2 -0.158 3.819 3.960 0.028 0.000 0.260 209 G HA3 -0.158 3.819 3.960 0.028 0.000 0.260 209 G C 0.646 175.654 174.900 0.180 0.000 1.025 209 G CA 0.802 45.975 45.100 0.122 0.000 0.769 209 G HN 1.075 nan 8.290 nan 0.000 0.507 210 V N -0.741 119.286 119.914 0.189 0.000 2.721 210 V HA 0.414 4.551 4.120 0.028 0.000 0.236 210 V C 1.751 177.860 176.094 0.024 0.000 1.116 210 V CA 1.420 63.787 62.300 0.110 0.000 1.148 210 V CB -0.158 31.723 31.823 0.098 0.000 0.886 210 V HN 0.340 nan 8.190 nan 0.000 0.490 211 L N -0.307 120.891 121.223 -0.041 0.000 2.492 211 L HA 0.747 5.104 4.340 0.028 0.000 0.263 211 L C 0.488 177.389 176.870 0.053 0.000 1.062 211 L CA -0.745 54.056 54.840 -0.065 0.000 0.817 211 L CB 0.495 42.422 42.059 -0.220 0.000 1.441 211 L HN 0.176 nan 8.230 nan 0.000 0.493 212 A N 0.029 122.859 122.820 0.017 0.000 2.520 212 A HA 0.295 4.632 4.320 0.028 0.000 0.245 212 A C 1.270 178.873 177.584 0.032 0.000 1.072 212 A CA 0.371 52.421 52.037 0.022 0.000 0.761 212 A CB 0.030 19.010 19.000 -0.033 0.000 1.004 212 A HN 0.925 nan 8.150 nan 0.000 0.499 213 G N 1.216 110.022 108.800 0.011 0.000 2.507 213 G HA2 -0.153 3.824 3.960 0.028 0.000 0.221 213 G HA3 -0.153 3.824 3.960 0.028 0.000 0.221 213 G C 1.326 176.086 174.900 -0.234 0.000 1.119 213 G CA 1.816 46.824 45.100 -0.153 0.000 0.751 213 G HN 1.119 nan 8.290 nan 0.000 0.574 214 E N 0.557 120.610 120.200 -0.245 0.000 2.085 214 E HA -0.160 4.207 4.350 0.028 0.000 0.194 214 E C 2.123 178.645 176.600 -0.130 0.000 0.994 214 E CA 1.754 58.013 56.400 -0.234 0.000 0.801 214 E CB -0.611 28.961 29.700 -0.214 0.000 0.743 214 E HN 0.707 nan 8.360 nan 0.000 0.453 215 E N -0.259 119.905 120.200 -0.060 0.000 2.046 215 E HA -0.155 4.212 4.350 0.028 0.000 0.190 215 E C 2.257 178.903 176.600 0.077 0.000 0.982 215 E CA 0.981 57.376 56.400 -0.008 0.000 0.800 215 E CB -0.012 29.673 29.700 -0.026 0.000 0.756 215 E HN 0.697 nan 8.360 nan 0.000 0.449 216 E N 0.204 120.484 120.200 0.134 0.000 2.160 216 E HA -0.226 4.141 4.350 0.028 0.000 0.195 216 E C 1.987 178.721 176.600 0.224 0.000 0.991 216 E CA 0.769 57.341 56.400 0.286 0.000 0.810 216 E CB -0.141 29.795 29.700 0.394 0.000 0.742 216 E HN 0.273 nan 8.360 nan 0.000 0.466 217 A N 1.707 124.606 122.820 0.130 0.000 1.933 217 A HA -0.208 4.129 4.320 0.028 0.000 0.218 217 A C 1.973 179.670 177.584 0.188 0.000 1.175 217 A CA 1.190 53.315 52.037 0.147 0.000 0.628 217 A CB -0.187 18.836 19.000 0.039 0.000 0.814 217 A HN 0.050 nan 8.150 nan 0.000 0.444 218 E N 0.342 120.624 120.200 0.137 0.000 2.106 218 E HA -0.092 4.275 4.350 0.028 0.000 0.192 218 E C 2.258 178.936 176.600 0.131 0.000 0.984 218 E CA 1.294 57.776 56.400 0.137 0.000 0.806 218 E CB -0.584 29.169 29.700 0.089 0.000 0.750 218 E HN 0.556 nan 8.360 nan 0.000 0.458 219 S N 0.804 116.596 115.700 0.153 0.000 2.399 219 S HA -0.077 4.410 4.470 0.028 0.000 0.231 219 S C 1.906 176.556 174.600 0.082 0.000 1.022 219 S CA 0.532 58.810 58.200 0.129 0.000 0.983 219 S CB -0.016 63.279 63.200 0.158 0.000 0.803 219 S HN 0.165 nan 8.310 nan 0.000 0.480 220 I N 1.269 121.900 120.570 0.102 0.000 2.252 220 I HA -0.068 4.119 4.170 0.028 0.000 0.245 220 I C 2.275 178.429 176.117 0.061 0.000 1.102 220 I CA 0.936 62.279 61.300 0.071 0.000 1.385 220 I CB -1.527 36.529 38.000 0.094 0.000 1.064 220 I HN 0.148 nan 8.210 nan 0.000 0.414 221 V N 1.574 121.541 119.914 0.089 0.000 2.332 221 V HA -0.257 3.880 4.120 0.028 0.000 0.248 221 V C 2.859 178.976 176.094 0.038 0.000 1.055 221 V CA 1.813 64.146 62.300 0.055 0.000 1.038 221 V CB -1.246 30.628 31.823 0.084 0.000 0.651 221 V HN 0.445 nan 8.190 nan 0.000 0.450 222 A N -0.300 122.549 122.820 0.048 0.000 1.902 222 A HA -0.143 4.194 4.320 0.028 0.000 0.217 222 A C 2.230 179.828 177.584 0.022 0.000 1.181 222 A CA 1.762 53.816 52.037 0.030 0.000 0.623 222 A CB -0.520 18.504 19.000 0.039 0.000 0.818 222 A HN 0.498 nan 8.150 nan 0.000 0.443 223 L N -0.798 120.443 121.223 0.031 0.000 2.046 223 L HA -0.179 4.178 4.340 0.028 0.000 0.208 223 L C 3.099 180.028 176.870 0.098 0.000 1.077 223 L CA 1.047 55.918 54.840 0.051 0.000 0.747 223 L CB -0.478 41.570 42.059 -0.019 0.000 0.896 223 L HN 0.430 nan 8.230 nan 0.000 0.432 224 A N -0.315 122.539 122.820 0.056 0.000 1.902 224 A HA -0.290 4.047 4.320 0.028 0.000 0.217 224 A C 2.474 180.076 177.584 0.030 0.000 1.181 224 A CA 2.242 54.312 52.037 0.056 0.000 0.623 224 A CB -0.994 18.019 19.000 0.023 0.000 0.818 224 A HN 0.443 nan 8.150 nan 0.000 0.443 225 Q N -0.379 119.421 119.800 -0.002 0.000 2.096 225 Q HA -0.248 4.109 4.340 0.028 0.000 0.204 225 Q C 2.216 178.163 176.000 -0.089 0.000 0.982 225 Q CA 2.490 58.271 55.803 -0.036 0.000 0.850 225 Q CB -0.638 28.081 28.738 -0.032 0.000 0.901 225 Q HN 0.700 nan 8.270 nan 0.000 0.422 226 R N -1.117 119.308 120.500 -0.126 0.000 2.093 226 R HA 0.107 4.464 4.340 0.028 0.000 0.224 226 R C -0.265 175.698 176.300 -0.562 0.000 1.101 226 R CA 0.921 56.804 56.100 -0.361 0.000 0.979 226 R CB -0.068 29.989 30.300 -0.404 0.000 0.877 226 R HN 0.501 nan 8.270 nan 0.000 0.441 227 F N 1.177 121.077 119.950 -0.082 0.000 2.471 227 F HA 0.405 4.949 4.527 0.028 0.000 0.318 227 F C -1.704 174.084 175.800 -0.021 0.000 1.308 227 F CA -2.604 55.363 58.000 -0.055 0.000 1.162 227 F CB 1.743 40.736 39.000 -0.011 0.000 1.383 227 F HN 0.018 nan 8.300 nan 0.000 0.552 228 P HA -0.168 nan 4.420 nan 0.000 0.226 228 P C 0.568 177.903 177.300 0.059 0.000 1.146 228 P CA 1.367 64.492 63.100 0.042 0.000 0.773 228 P CB 0.283 31.981 31.700 -0.002 0.000 0.772 229 Q N -1.288 118.563 119.800 0.085 0.000 2.194 229 Q HA 0.385 4.742 4.340 0.028 0.000 0.214 229 Q C 0.536 176.593 176.000 0.096 0.000 0.838 229 Q CA -0.221 55.627 55.803 0.075 0.000 0.972 229 Q CB 0.374 29.148 28.738 0.059 0.000 1.131 229 Q HN 0.116 nan 8.270 nan 0.000 0.498 230 A N 0.898 123.801 122.820 0.139 0.000 2.340 230 A HA 0.507 4.844 4.320 0.028 0.000 0.268 230 A C -0.338 177.300 177.584 0.090 0.000 1.100 230 A CA -0.411 51.709 52.037 0.139 0.000 0.803 230 A CB 0.468 19.620 19.000 0.252 0.000 1.043 230 A HN 0.225 nan 8.150 nan 0.000 0.488 231 R N 0.699 121.234 120.500 0.058 0.000 2.265 231 R HA 0.562 4.919 4.340 0.028 0.000 0.314 231 R C -1.085 175.207 176.300 -0.012 0.000 1.053 231 R CA 0.199 56.321 56.100 0.037 0.000 0.931 231 R CB 0.686 31.029 30.300 0.071 0.000 1.024 231 R HN 0.655 nan 8.270 nan 0.000 0.457 232 I N 0.780 121.305 120.570 -0.074 0.000 2.686 232 I HA 0.297 4.483 4.170 0.028 0.000 0.295 232 I C -0.120 175.792 176.117 -0.342 0.000 1.114 232 I CA -0.595 60.621 61.300 -0.140 0.000 1.038 232 I CB 2.568 40.542 38.000 -0.043 0.000 1.238 232 I HN 0.457 nan 8.210 nan 0.000 0.420 233 T N 5.143 119.424 114.554 -0.455 0.000 2.916 233 T HA 0.694 5.060 4.350 0.028 0.000 0.292 233 T C -1.608 172.944 174.700 -0.247 0.000 1.055 233 T CA -0.491 61.289 62.100 -0.535 0.000 1.009 233 T CB 1.529 69.805 68.868 -0.987 0.000 1.118 233 T HN 0.379 nan 8.240 nan 0.000 0.497 234 L N 3.581 124.725 121.223 -0.131 0.000 2.325 234 L HA 0.661 5.018 4.340 0.028 0.000 0.281 234 L C -1.041 175.780 176.870 -0.081 0.000 1.004 234 L CA -0.367 54.453 54.840 -0.033 0.000 0.823 234 L CB 1.575 43.713 42.059 0.131 0.000 1.236 234 L HN 0.582 nan 8.230 nan 0.000 0.415 235 D N 6.915 127.248 120.400 -0.111 0.000 2.477 235 D HA 0.422 5.079 4.640 0.028 0.000 0.239 235 D C -2.161 174.026 176.300 -0.188 0.000 1.102 235 D CA -2.033 51.881 54.000 -0.143 0.000 0.901 235 D CB 1.548 42.300 40.800 -0.080 0.000 1.026 235 D HN 0.387 nan 8.370 nan 0.000 0.515 236 P HA 0.140 nan 4.420 nan 0.000 0.257 236 P C -0.663 176.434 177.300 -0.339 0.000 1.325 236 P CA -0.128 62.681 63.100 -0.486 0.000 0.850 236 P CB -0.332 30.608 31.700 -1.267 0.000 1.324 237 N N 0.246 118.818 118.700 -0.213 0.000 2.716 237 N HA -0.191 4.566 4.740 0.028 0.000 0.250 237 N C 0.924 176.348 175.510 -0.143 0.000 1.033 237 N CA 0.907 53.894 53.050 -0.106 0.000 0.727 237 N CB -1.719 36.782 38.487 0.024 0.000 0.950 237 N HN 0.370 nan 8.380 nan 0.000 0.541 238 G N -2.050 106.606 108.800 -0.241 0.000 2.148 238 G HA2 -0.280 3.696 3.960 0.028 0.000 0.254 238 G HA3 -0.280 3.696 3.960 0.028 0.000 0.254 238 G C 1.111 175.905 174.900 -0.177 0.000 0.981 238 G CA 0.711 45.696 45.100 -0.191 0.000 0.670 238 G HN 0.898 nan 8.290 nan 0.000 0.528 239 A N -0.504 122.152 122.820 -0.274 0.000 1.898 239 A HA 0.271 4.608 4.320 0.028 0.000 0.216 239 A C 1.346 178.924 177.584 -0.009 0.000 1.181 239 A CA 1.316 53.250 52.037 -0.173 0.000 0.620 239 A CB -0.299 18.606 19.000 -0.158 0.000 0.819 239 A HN 0.664 nan 8.150 nan 0.000 0.442 240 W N 1.164 122.457 121.300 -0.011 0.000 2.150 240 W HA 0.428 5.104 4.660 0.027 0.000 0.341 240 W C 0.967 177.487 176.519 0.001 0.000 1.276 240 W CA -0.658 56.685 57.345 -0.003 0.000 1.238 240 W CB -0.324 29.140 29.460 0.007 0.000 1.128 240 W HN 0.372 nan 8.180 nan 0.000 0.581 241 S N 1.292 117.142 115.700 0.250 0.000 2.608 241 S HA 0.088 4.575 4.470 0.028 0.000 0.261 241 S C 0.936 175.646 174.600 0.183 0.000 1.314 241 S CA -0.594 57.700 58.200 0.158 0.000 0.992 241 S CB 0.893 64.159 63.200 0.109 0.000 0.935 241 S HN 0.425 nan 8.310 nan 0.000 0.564 242 L N 1.922 123.232 121.223 0.145 0.000 2.013 242 L HA -0.145 4.212 4.340 0.028 0.000 0.212 242 L C 1.994 178.969 176.870 0.175 0.000 1.073 242 L CA 2.071 57.014 54.840 0.171 0.000 0.753 242 L CB -1.587 40.539 42.059 0.112 0.000 0.890 242 L HN 0.870 nan 8.230 nan 0.000 0.432 243 N N -0.978 117.789 118.700 0.111 0.000 2.120 243 N HA -0.195 4.562 4.740 0.028 0.000 0.188 243 N C 1.621 177.174 175.510 0.072 0.000 1.024 243 N CA 1.357 54.454 53.050 0.077 0.000 0.852 243 N CB -0.104 38.408 38.487 0.042 0.000 1.003 243 N HN 0.525 nan 8.380 nan 0.000 0.424 244 E N 0.940 121.184 120.200 0.074 0.000 2.031 244 E HA -0.183 4.184 4.350 0.028 0.000 0.193 244 E C 2.161 178.768 176.600 0.012 0.000 0.994 244 E CA 1.109 57.505 56.400 -0.006 0.000 0.800 244 E CB -0.125 29.567 29.700 -0.014 0.000 0.752 244 E HN 0.377 nan 8.360 nan 0.000 0.447 245 A N 1.149 124.104 122.820 0.226 0.000 1.908 245 A HA -0.206 4.131 4.320 0.028 0.000 0.218 245 A C 2.196 180.057 177.584 0.461 0.000 1.181 245 A CA 1.327 53.623 52.037 0.432 0.000 0.627 245 A CB -0.676 18.624 19.000 0.500 0.000 0.818 245 A HN 0.164 nan 8.150 nan 0.000 0.445 246 I N -0.677 120.088 120.570 0.326 0.000 2.315 246 I HA -0.246 3.941 4.170 0.028 0.000 0.248 246 I C 2.524 178.687 176.117 0.077 0.000 1.117 246 I CA 1.731 63.121 61.300 0.150 0.000 1.404 246 I CB -0.218 37.811 38.000 0.048 0.000 1.071 246 I HN 0.379 nan 8.210 nan 0.000 0.419 247 K N 1.597 122.024 120.400 0.045 0.000 2.026 247 K HA -0.182 4.155 4.320 0.028 0.000 0.208 247 K C 2.153 178.764 176.600 0.017 0.000 1.048 247 K CA 1.637 57.926 56.287 0.004 0.000 0.929 247 K CB -0.100 32.372 32.500 -0.047 0.000 0.713 247 K HN 0.246 nan 8.250 nan 0.000 0.439 248 I N 0.575 121.120 120.570 -0.042 0.000 2.226 248 I HA -0.182 4.005 4.170 0.028 0.000 0.245 248 I C 2.485 178.686 176.117 0.139 0.000 1.100 248 I CA 1.329 62.600 61.300 -0.050 0.000 1.374 248 I CB -0.608 37.160 38.000 -0.387 0.000 1.057 248 I HN 0.389 nan 8.210 nan 0.000 0.413 249 G N 0.985 109.914 108.800 0.216 0.000 2.418 249 G HA2 -0.231 3.746 3.960 0.028 0.000 0.217 249 G HA3 -0.231 3.746 3.960 0.028 0.000 0.217 249 G C 1.747 176.716 174.900 0.115 0.000 1.158 249 G CA 0.631 45.885 45.100 0.256 0.000 0.771 249 G HN 0.323 nan 8.290 nan 0.000 0.545 250 K N -0.798 119.644 120.400 0.069 0.000 2.057 250 K HA -0.056 4.281 4.320 0.028 0.000 0.206 250 K C 2.173 178.809 176.600 0.061 0.000 1.050 250 K CA 1.117 57.424 56.287 0.034 0.000 0.935 250 K CB -0.381 32.130 32.500 0.018 0.000 0.715 250 K HN 0.393 nan 8.250 nan 0.000 0.439 251 Y N 1.531 121.823 120.300 -0.013 0.000 2.114 251 Y HA -0.190 4.376 4.550 0.027 0.000 0.282 251 Y C 1.477 177.377 175.900 0.000 0.000 1.165 251 Y CA 1.516 59.606 58.100 -0.015 0.000 1.148 251 Y CB -0.028 38.411 38.460 -0.033 0.000 0.972 251 Y HN -0.063 nan 8.280 nan 0.000 0.504 252 L N 0.453 121.708 121.223 0.053 0.000 2.612 252 L HA -0.021 4.336 4.340 0.028 0.000 0.230 252 L C 2.008 178.865 176.870 -0.021 0.000 1.140 252 L CA 0.124 54.957 54.840 -0.012 0.000 0.896 252 L CB -0.356 41.779 42.059 0.128 0.000 1.065 252 L HN 0.162 nan 8.230 nan 0.000 0.447 253 K N 0.972 121.356 120.400 -0.025 0.000 2.049 253 K HA -0.232 4.105 4.320 0.028 0.000 0.219 253 K C 1.917 178.504 176.600 -0.021 0.000 1.056 253 K CA 1.961 58.240 56.287 -0.013 0.000 0.946 253 K CB -0.496 31.990 32.500 -0.024 0.000 0.723 253 K HN 0.477 nan 8.250 nan 0.000 0.453 254 G N -0.382 108.386 108.800 -0.055 0.000 2.848 254 G HA2 -0.087 3.890 3.960 0.028 0.000 0.208 254 G HA3 -0.087 3.890 3.960 0.028 0.000 0.208 254 G C 1.232 176.114 174.900 -0.031 0.000 1.152 254 G CA 0.385 45.461 45.100 -0.040 0.000 0.789 254 G HN 0.194 nan 8.290 nan 0.000 0.531 255 S N -0.264 115.416 115.700 -0.034 0.000 2.468 255 S HA 0.263 4.750 4.470 0.028 0.000 0.226 255 S C 0.831 175.426 174.600 -0.008 0.000 1.051 255 S CA -0.314 57.876 58.200 -0.018 0.000 0.943 255 S CB 0.176 63.364 63.200 -0.020 0.000 0.810 255 S HN 0.163 nan 8.310 nan 0.000 0.509 256 L N 1.767 122.989 121.223 -0.002 0.000 2.331 256 L HA 0.361 4.718 4.340 0.028 0.000 0.278 256 L C 1.329 178.191 176.870 -0.014 0.000 1.106 256 L CA -0.537 54.288 54.840 -0.025 0.000 0.824 256 L CB 0.957 43.026 42.059 0.017 0.000 1.142 256 L HN 0.201 nan 8.230 nan 0.000 0.443 257 A N 4.212 126.991 122.820 -0.068 0.000 1.930 257 A HA 0.041 4.378 4.320 0.028 0.000 0.215 257 A C 0.234 177.930 177.584 0.186 0.000 1.176 257 A CA 1.143 53.209 52.037 0.048 0.000 0.632 257 A CB -0.038 19.011 19.000 0.081 0.000 0.819 257 A HN 0.758 nan 8.150 nan 0.000 0.445 258 Y N -5.346 114.984 120.300 0.049 0.000 2.741 258 Y HA 0.633 5.200 4.550 0.029 0.000 0.339 258 Y C -0.757 175.191 175.900 0.080 0.000 1.226 258 Y CA -1.458 56.683 58.100 0.068 0.000 1.072 258 Y CB 0.541 39.024 38.460 0.038 0.000 1.331 258 Y HN 0.212 nan 8.280 nan 0.000 0.453 259 A N 1.393 124.389 122.820 0.295 0.000 2.291 259 A HA 0.549 4.886 4.320 0.028 0.000 0.311 259 A C -0.956 176.716 177.584 0.148 0.000 1.224 259 A CA -0.603 51.538 52.037 0.173 0.000 0.821 259 A CB 0.837 19.980 19.000 0.238 0.000 1.172 259 A HN 0.718 nan 8.150 nan 0.000 0.494 260 E N 2.886 123.132 120.200 0.077 0.000 2.167 260 E HA 0.229 4.596 4.350 0.028 0.000 0.284 260 E C -0.716 175.818 176.600 -0.109 0.000 1.016 260 E CA -0.487 55.939 56.400 0.044 0.000 0.817 260 E CB 0.345 30.097 29.700 0.087 0.000 1.080 260 E HN 0.659 nan 8.360 nan 0.000 0.397 261 D N 5.068 125.396 120.400 -0.119 0.000 2.720 261 D HA -0.162 4.495 4.640 0.028 0.000 0.229 261 D C -1.684 174.420 176.300 -0.328 0.000 1.198 261 D CA 0.244 54.134 54.000 -0.184 0.000 0.639 261 D CB -0.419 40.309 40.800 -0.120 0.000 1.003 261 D HN 0.510 nan 8.370 nan 0.000 0.411 262 P HA -0.135 nan 4.420 nan 0.000 0.216 262 P C 0.980 178.065 177.300 -0.358 0.000 1.150 262 P CA 1.376 64.177 63.100 -0.498 0.000 0.837 262 P CB 0.096 31.358 31.700 -0.729 0.000 0.786 263 C N -4.749 114.383 119.300 -0.280 0.000 3.316 263 C HA 0.946 5.423 4.460 0.028 0.000 0.360 263 C C 0.244 175.182 174.990 -0.086 0.000 1.560 263 C CA -0.244 58.704 59.018 -0.116 0.000 1.229 263 C CB 1.452 29.197 27.740 0.009 0.000 1.823 263 C HN 0.402 nan 8.230 nan 0.000 0.440 264 G N -0.765 108.022 108.800 -0.021 0.000 2.664 264 G HA2 0.779 4.756 3.960 0.028 0.000 0.303 264 G HA3 0.779 4.756 3.960 0.028 0.000 0.303 264 G C -0.486 174.435 174.900 0.036 0.000 1.243 264 G CA -0.010 45.088 45.100 -0.003 0.000 0.826 264 G HN 2.023 nan 8.290 nan 0.000 0.498 265 A N -0.144 122.699 122.820 0.038 0.000 2.587 265 A HA 0.500 4.837 4.320 0.028 0.000 0.233 265 A C 0.490 178.116 177.584 0.069 0.000 1.049 265 A CA 1.643 53.717 52.037 0.061 0.000 0.754 265 A CB -0.456 18.566 19.000 0.035 0.000 0.977 265 A HN 1.526 nan 8.150 nan 0.000 0.509 266 E N 0.632 120.900 120.200 0.113 0.000 2.389 266 E HA 0.323 4.690 4.350 0.028 0.000 0.281 266 E C -0.447 176.265 176.600 0.187 0.000 1.111 266 E CA -0.470 55.997 56.400 0.113 0.000 0.869 266 E CB 0.012 29.771 29.700 0.099 0.000 1.259 266 E HN 0.657 nan 8.360 nan 0.000 0.434 267 Q N 0.104 119.984 119.800 0.132 0.000 2.439 267 Q HA -0.310 4.047 4.340 0.028 0.000 0.247 267 Q C 0.843 176.817 176.000 -0.043 0.000 0.899 267 Q CA 1.461 57.347 55.803 0.138 0.000 1.201 267 Q CB -1.868 27.046 28.738 0.293 0.000 1.608 267 Q HN 1.523 nan 8.270 nan 0.000 0.563 268 G N -1.389 107.349 108.800 -0.104 0.000 2.175 268 G HA2 -0.288 3.689 3.960 0.028 0.000 0.244 268 G HA3 -0.288 3.689 3.960 0.028 0.000 0.244 268 G C -0.169 174.473 174.900 -0.431 0.000 0.982 268 G CA 0.093 45.021 45.100 -0.286 0.000 0.641 268 G HN 0.262 nan 8.290 nan 0.000 0.527 269 F N 2.163 122.114 119.950 0.002 0.000 2.422 269 F HA 0.665 5.205 4.527 0.021 0.000 0.333 269 F C 1.169 176.971 175.800 0.002 0.000 1.095 269 F CA -0.286 57.717 58.000 0.005 0.000 1.038 269 F CB 1.662 40.673 39.000 0.018 0.000 1.156 269 F HN 0.238 nan 8.300 nan 0.000 0.483 270 S N 1.134 116.938 115.700 0.172 0.000 2.608 270 S HA 0.291 4.777 4.470 0.028 0.000 0.261 270 S C 1.343 176.006 174.600 0.105 0.000 1.314 270 S CA -0.226 58.030 58.200 0.094 0.000 0.992 270 S CB 1.107 64.338 63.200 0.053 0.000 0.935 270 S HN 0.871 nan 8.310 nan 0.000 0.564 271 G N 0.631 109.472 108.800 0.067 0.000 2.443 271 G HA2 -0.110 3.867 3.960 0.028 0.000 0.219 271 G HA3 -0.110 3.867 3.960 0.028 0.000 0.219 271 G C 1.554 176.495 174.900 0.069 0.000 1.131 271 G CA 0.233 45.366 45.100 0.056 0.000 0.775 271 G HN 0.780 nan 8.290 nan 0.000 0.547 272 R N 0.299 120.849 120.500 0.082 0.000 2.073 272 R HA 0.040 4.397 4.340 0.028 0.000 0.229 272 R C 2.512 178.874 176.300 0.103 0.000 1.120 272 R CA 1.346 57.505 56.100 0.098 0.000 0.967 272 R CB -0.212 30.160 30.300 0.121 0.000 0.862 272 R HN 0.428 nan 8.270 nan 0.000 0.436 273 E N 0.092 120.359 120.200 0.112 0.000 2.031 273 E HA -0.167 4.200 4.350 0.028 0.000 0.193 273 E C 2.036 178.676 176.600 0.067 0.000 0.994 273 E CA 1.533 57.999 56.400 0.110 0.000 0.800 273 E CB -0.077 29.737 29.700 0.191 0.000 0.752 273 E HN 0.057 nan 8.360 nan 0.000 0.447 274 V N 1.403 121.365 119.914 0.080 0.000 2.295 274 V HA -0.288 3.849 4.120 0.028 0.000 0.246 274 V C 2.328 178.484 176.094 0.105 0.000 1.049 274 V CA 1.607 63.943 62.300 0.061 0.000 1.024 274 V CB -0.416 31.456 31.823 0.081 0.000 0.648 274 V HN 0.353 nan 8.190 nan 0.000 0.447 275 M N -0.393 119.269 119.600 0.103 0.000 2.213 275 M HA -0.131 4.366 4.480 0.028 0.000 0.263 275 M C 2.378 178.793 176.300 0.192 0.000 1.062 275 M CA 1.945 57.328 55.300 0.139 0.000 1.105 275 M CB -0.922 31.725 32.600 0.077 0.000 1.385 275 M HN 0.453 nan 8.290 nan 0.000 0.417 276 A N 0.558 123.455 122.820 0.130 0.000 1.898 276 A HA -0.155 4.182 4.320 0.028 0.000 0.216 276 A C 1.977 179.618 177.584 0.095 0.000 1.181 276 A CA 1.495 53.599 52.037 0.111 0.000 0.620 276 A CB -0.595 18.454 19.000 0.082 0.000 0.819 276 A HN 0.542 nan 8.150 nan 0.000 0.442 277 E N -1.266 118.977 120.200 0.071 0.000 2.110 277 E HA -0.185 4.181 4.350 0.028 0.000 0.193 277 E C 1.760 178.403 176.600 0.072 0.000 0.988 277 E CA 1.304 57.725 56.400 0.034 0.000 0.804 277 E CB -0.306 29.383 29.700 -0.019 0.000 0.745 277 E HN 0.732 nan 8.360 nan 0.000 0.458 278 F N 2.071 122.031 119.950 0.017 0.000 2.075 278 F HA -0.186 4.355 4.527 0.023 0.000 0.297 278 F C 2.477 178.304 175.800 0.046 0.000 1.113 278 F CA 1.689 59.714 58.000 0.041 0.000 1.218 278 F CB -0.137 38.904 39.000 0.067 0.000 0.984 278 F HN -0.232 nan 8.300 nan 0.000 0.472 279 R N 0.286 120.893 120.500 0.179 0.000 2.094 279 R HA -0.244 4.113 4.340 0.028 0.000 0.239 279 R C 2.634 178.889 176.300 -0.075 0.000 1.137 279 R CA 2.073 58.213 56.100 0.067 0.000 0.943 279 R CB -0.478 29.926 30.300 0.174 0.000 0.850 279 R HN 0.318 nan 8.270 nan 0.000 0.433 280 R N -0.355 120.123 120.500 -0.037 0.000 2.081 280 R HA -0.118 4.239 4.340 0.028 0.000 0.235 280 R C 2.033 178.276 176.300 -0.095 0.000 1.131 280 R CA 1.613 57.684 56.100 -0.048 0.000 0.960 280 R CB -0.248 30.038 30.300 -0.023 0.000 0.856 280 R HN 0.337 nan 8.270 nan 0.000 0.436 281 A N -0.522 122.213 122.820 -0.141 0.000 2.014 281 A HA -0.100 4.237 4.320 0.028 0.000 0.218 281 A C 1.979 179.445 177.584 -0.196 0.000 1.163 281 A CA 1.740 53.688 52.037 -0.149 0.000 0.652 281 A CB -0.310 18.606 19.000 -0.139 0.000 0.808 281 A HN 0.611 nan 8.150 nan 0.000 0.449 282 T N -6.083 108.284 114.554 -0.312 0.000 2.969 282 T HA 0.412 4.779 4.350 0.028 0.000 0.250 282 T C 1.506 176.099 174.700 -0.178 0.000 1.021 282 T CA 1.130 63.052 62.100 -0.297 0.000 1.003 282 T CB 0.194 68.722 68.868 -0.566 0.000 1.040 282 T HN 1.621 nan 8.240 nan 0.000 0.492 283 G N 1.552 110.264 108.800 -0.147 0.000 2.162 283 G HA2 -0.215 3.762 3.960 0.028 0.000 0.260 283 G HA3 -0.215 3.762 3.960 0.028 0.000 0.260 283 G C -0.065 174.823 174.900 -0.021 0.000 0.976 283 G CA 0.377 45.439 45.100 -0.062 0.000 0.655 283 G HN 0.648 nan 8.290 nan 0.000 0.533 284 L N 1.312 122.520 121.223 -0.026 0.000 2.350 284 L HA 0.456 4.813 4.340 0.028 0.000 0.275 284 L C -1.698 175.277 176.870 0.175 0.000 1.099 284 L CA -2.192 52.708 54.840 0.099 0.000 0.808 284 L CB 1.175 43.347 42.059 0.188 0.000 1.149 284 L HN -0.114 nan 8.230 nan 0.000 0.442 285 P HA 0.150 nan 4.420 nan 0.000 0.275 285 P C -0.827 176.631 177.300 0.264 0.000 1.228 285 P CA -0.342 62.872 63.100 0.190 0.000 0.786 285 P CB 0.874 32.673 31.700 0.166 0.000 0.927 286 T N -1.120 113.559 114.554 0.208 0.000 2.912 286 T HA 0.850 5.217 4.350 0.028 0.000 0.288 286 T C -0.734 174.018 174.700 0.086 0.000 1.030 286 T CA -0.887 61.332 62.100 0.198 0.000 1.020 286 T CB 1.812 70.792 68.868 0.186 0.000 1.056 286 T HN 0.399 nan 8.240 nan 0.000 0.480 287 A N 0.916 123.784 122.820 0.080 0.000 2.469 287 A HA 0.923 5.260 4.320 0.028 0.000 0.299 287 A C -0.208 177.380 177.584 0.006 0.000 1.098 287 A CA -0.899 51.123 52.037 -0.025 0.000 0.737 287 A CB 1.993 20.929 19.000 -0.108 0.000 1.312 287 A HN 1.101 nan 8.150 nan 0.000 0.414 288 T N 0.022 114.571 114.554 -0.008 0.000 2.889 288 T HA 0.499 4.866 4.350 0.028 0.000 0.315 288 T C -0.665 174.066 174.700 0.052 0.000 1.291 288 T CA -0.092 62.020 62.100 0.020 0.000 1.028 288 T CB 0.915 69.801 68.868 0.029 0.000 1.235 288 T HN 0.942 nan 8.240 nan 0.000 0.491 289 N N 2.815 121.549 118.700 0.056 0.000 2.167 289 N HA 0.147 4.904 4.740 0.028 0.000 0.234 289 N C 0.482 175.961 175.510 -0.052 0.000 1.312 289 N CA -0.244 52.852 53.050 0.076 0.000 0.861 289 N CB 0.547 39.071 38.487 0.061 0.000 1.217 289 N HN 0.509 nan 8.380 nan 0.000 0.504 290 M N 0.217 119.798 119.600 -0.032 0.000 2.279 290 M HA 0.328 4.824 4.480 0.028 0.000 0.278 290 M C 1.651 177.924 176.300 -0.044 0.000 1.142 290 M CA 0.229 55.482 55.300 -0.079 0.000 1.119 290 M CB 0.536 33.095 32.600 -0.067 0.000 1.741 290 M HN 0.096 nan 8.290 nan 0.000 0.601 291 I N -2.198 118.376 120.570 0.007 0.000 4.070 291 I HA 0.501 4.688 4.170 0.028 0.000 0.328 291 I C 0.602 176.763 176.117 0.074 0.000 1.298 291 I CA -0.122 61.197 61.300 0.032 0.000 1.173 291 I CB 0.464 38.487 38.000 0.040 0.000 1.051 291 I HN 0.014 nan 8.210 nan 0.000 0.409 292 A N 1.595 124.480 122.820 0.108 0.000 3.266 292 A HA 0.477 4.814 4.320 0.028 0.000 0.310 292 A C 0.597 178.363 177.584 0.303 0.000 1.066 292 A CA 0.048 52.196 52.037 0.185 0.000 0.839 292 A CB -0.461 18.652 19.000 0.189 0.000 1.192 292 A HN 0.370 nan 8.150 nan 0.000 0.496 293 T N -2.835 111.785 114.554 0.109 0.000 3.054 293 T HA 0.365 4.732 4.350 0.028 0.000 0.255 293 T C 0.106 174.391 174.700 -0.692 0.000 1.035 293 T CA 0.647 62.717 62.100 -0.050 0.000 0.941 293 T CB -0.348 68.388 68.868 -0.220 0.000 1.026 293 T HN 0.626 nan 8.240 nan 0.000 0.533 294 D N -1.590 118.498 120.400 -0.520 0.000 2.626 294 D HA 0.288 4.945 4.640 0.028 0.000 0.278 294 D C 0.030 176.257 176.300 -0.123 0.000 1.211 294 D CA -1.195 52.375 54.000 -0.717 0.000 0.903 294 D CB 0.008 40.589 40.800 -0.365 0.000 1.408 294 D HN 0.053 nan 8.370 nan 0.000 0.454 295 W N -0.226 121.135 121.300 0.101 0.000 2.402 295 W HA 0.040 4.710 4.660 0.018 0.000 0.286 295 W C 2.526 179.118 176.519 0.121 0.000 1.221 295 W CA 0.700 58.188 57.345 0.239 0.000 1.257 295 W CB -0.027 29.561 29.460 0.214 0.000 1.120 295 W HN 0.438 nan 8.180 nan 0.000 0.551 296 R N 0.923 121.579 120.500 0.260 0.000 2.081 296 R HA -0.199 4.158 4.340 0.028 0.000 0.235 296 R C 1.932 178.319 176.300 0.145 0.000 1.131 296 R CA 1.889 58.081 56.100 0.153 0.000 0.960 296 R CB -0.502 29.878 30.300 0.132 0.000 0.856 296 R HN 0.247 nan 8.270 nan 0.000 0.436 297 Q N -0.210 119.693 119.800 0.171 0.000 2.119 297 Q HA -0.167 4.189 4.340 0.028 0.000 0.201 297 Q C 2.088 178.210 176.000 0.203 0.000 0.972 297 Q CA 1.548 57.468 55.803 0.195 0.000 0.847 297 Q CB -0.084 28.727 28.738 0.121 0.000 0.903 297 Q HN 0.257 nan 8.270 nan 0.000 0.433 298 M N 0.462 120.204 119.600 0.237 0.000 2.149 298 M HA -0.095 4.402 4.480 0.028 0.000 0.261 298 M C 1.855 178.285 176.300 0.216 0.000 1.064 298 M CA 1.822 57.279 55.300 0.261 0.000 1.102 298 M CB -0.845 31.975 32.600 0.366 0.000 1.369 298 M HN 0.213 nan 8.290 nan 0.000 0.408 299 G N -0.763 108.124 108.800 0.145 0.000 2.480 299 G HA2 -0.255 3.722 3.960 0.028 0.000 0.216 299 G HA3 -0.255 3.722 3.960 0.028 0.000 0.216 299 G C 1.456 176.314 174.900 -0.071 0.000 1.200 299 G CA 1.217 46.309 45.100 -0.012 0.000 0.782 299 G HN 0.586 nan 8.290 nan 0.000 0.554 300 H N 0.364 119.516 119.070 0.137 0.000 2.421 300 H HA -0.032 4.531 4.556 0.012 0.000 0.298 300 H C 2.897 178.291 175.328 0.110 0.000 1.087 300 H CA 1.583 57.696 56.048 0.109 0.000 1.330 300 H CB -0.708 29.110 29.762 0.094 0.000 1.388 300 H HN 0.263 nan 8.280 nan 0.000 0.526 301 T N 1.718 116.404 114.554 0.219 0.000 2.708 301 T HA -0.087 4.280 4.350 0.028 0.000 0.266 301 T C 2.464 177.254 174.700 0.151 0.000 1.037 301 T CA 0.838 63.043 62.100 0.174 0.000 1.146 301 T CB -0.331 68.635 68.868 0.163 0.000 0.865 301 T HN 0.189 nan 8.240 nan 0.000 0.435 302 L N 0.823 122.140 121.223 0.156 0.000 2.046 302 L HA -0.100 4.256 4.340 0.028 0.000 0.208 302 L C 2.863 179.793 176.870 0.100 0.000 1.077 302 L CA 1.014 55.938 54.840 0.140 0.000 0.747 302 L CB -0.658 41.504 42.059 0.172 0.000 0.896 302 L HN 0.232 nan 8.230 nan 0.000 0.432 303 S N 0.089 115.854 115.700 0.107 0.000 2.382 303 S HA -0.095 4.392 4.470 0.028 0.000 0.228 303 S C 1.867 176.523 174.600 0.093 0.000 1.027 303 S CA 1.217 59.474 58.200 0.095 0.000 0.991 303 S CB -0.185 63.091 63.200 0.127 0.000 0.823 303 S HN 0.296 nan 8.310 nan 0.000 0.469 304 L N 0.702 121.992 121.223 0.112 0.000 2.509 304 L HA 0.176 4.533 4.340 0.028 0.000 0.222 304 L C 0.339 177.260 176.870 0.084 0.000 1.123 304 L CA 0.186 55.084 54.840 0.098 0.000 0.856 304 L CB -0.343 41.784 42.059 0.112 0.000 0.985 304 L HN 0.220 nan 8.230 nan 0.000 0.456 305 Q N -0.334 119.519 119.800 0.088 0.000 2.460 305 Q HA -0.220 4.137 4.340 0.028 0.000 0.311 305 Q C 1.117 177.172 176.000 0.092 0.000 1.396 305 Q CA 0.415 56.268 55.803 0.083 0.000 0.838 305 Q CB -1.644 27.131 28.738 0.062 0.000 1.140 305 Q HN 0.407 nan 8.270 nan 0.000 0.415 306 S N -1.096 114.666 115.700 0.103 0.000 2.414 306 S HA 0.049 4.535 4.470 0.028 0.000 0.227 306 S C 0.771 175.436 174.600 0.108 0.000 1.022 306 S CA 0.751 59.016 58.200 0.108 0.000 0.958 306 S CB 0.605 63.870 63.200 0.109 0.000 0.797 306 S HN 0.316 nan 8.310 nan 0.000 0.493 307 V N 2.038 122.010 119.914 0.096 0.000 2.577 307 V HA 0.273 4.409 4.120 0.028 0.000 0.303 307 V C -0.530 175.603 176.094 0.064 0.000 1.042 307 V CA -0.665 61.681 62.300 0.077 0.000 0.872 307 V CB 1.995 33.856 31.823 0.064 0.000 0.998 307 V HN 0.122 nan 8.190 nan 0.000 0.423 308 D N 3.287 123.716 120.400 0.049 0.000 2.213 308 D HA 0.182 4.839 4.640 0.028 0.000 0.205 308 D C 0.280 176.569 176.300 -0.019 0.000 0.961 308 D CA 1.007 55.026 54.000 0.031 0.000 0.853 308 D CB 0.400 41.220 40.800 0.033 0.000 0.967 308 D HN 0.518 nan 8.370 nan 0.000 0.496 309 I N 1.747 122.272 120.570 -0.075 0.000 2.502 309 I HA 0.266 4.453 4.170 0.028 0.000 0.276 309 I C -2.567 173.458 176.117 -0.153 0.000 1.057 309 I CA -2.199 59.001 61.300 -0.167 0.000 1.163 309 I CB 1.704 39.483 38.000 -0.369 0.000 1.288 309 I HN -0.302 nan 8.210 nan 0.000 0.479 310 P HA 0.233 nan 4.420 nan 0.000 0.282 310 P C -0.632 176.501 177.300 -0.278 0.000 1.262 310 P CA -0.180 62.839 63.100 -0.135 0.000 0.773 310 P CB 0.893 32.516 31.700 -0.128 0.000 0.879 311 L N 3.003 124.112 121.223 -0.190 0.000 2.302 311 L HA 0.431 4.788 4.340 0.028 0.000 0.285 311 L C 0.915 177.639 176.870 -0.243 0.000 1.090 311 L CA -0.579 54.093 54.840 -0.279 0.000 0.866 311 L CB 0.454 42.453 42.059 -0.100 0.000 1.244 311 L HN 0.339 nan 8.230 nan 0.000 0.435 312 A N 2.225 124.712 122.820 -0.554 0.000 3.015 312 A HA 0.130 4.467 4.320 0.028 0.000 0.293 312 A C 0.054 177.442 177.584 -0.327 0.000 1.572 312 A CA -0.538 51.169 52.037 -0.550 0.000 1.274 312 A CB -0.345 18.136 19.000 -0.865 0.000 1.156 312 A HN 0.631 nan 8.150 nan 0.000 0.562 313 D N 3.300 123.501 120.400 -0.333 0.000 2.487 313 D HA 0.029 4.686 4.640 0.028 0.000 0.243 313 D C -1.286 174.918 176.300 -0.161 0.000 1.154 313 D CA -1.429 52.410 54.000 -0.269 0.000 0.876 313 D CB 1.162 41.642 40.800 -0.533 0.000 1.161 313 D HN 0.229 nan 8.370 nan 0.000 0.478 314 P HA -0.116 nan 4.420 nan 0.000 0.225 314 P C 0.662 177.935 177.300 -0.046 0.000 1.148 314 P CA 1.132 64.235 63.100 0.005 0.000 0.779 314 P CB 0.133 31.823 31.700 -0.016 0.000 0.780 315 H N -0.492 118.653 119.070 0.125 0.000 2.389 315 H HA -0.065 4.508 4.556 0.028 0.000 0.299 315 H C 1.621 177.165 175.328 0.361 0.000 1.081 315 H CA 1.725 57.936 56.048 0.272 0.000 1.345 315 H CB -0.892 29.069 29.762 0.331 0.000 1.393 315 H HN 0.290 nan 8.280 nan 0.000 0.520 316 F N -4.061 116.113 119.950 0.374 0.000 2.749 316 F HA 0.217 4.760 4.527 0.025 0.000 0.300 316 F C 0.893 176.629 175.800 -0.107 0.000 1.103 316 F CA -0.469 57.558 58.000 0.045 0.000 1.342 316 F CB -0.200 38.792 39.000 -0.013 0.000 1.098 316 F HN -0.026 nan 8.300 nan 0.000 0.586 317 W N 2.236 123.483 121.300 -0.087 0.000 2.998 317 W HA 0.298 4.972 4.660 0.022 0.000 0.336 317 W C 0.336 176.863 176.519 0.012 0.000 1.112 317 W CA 1.065 58.377 57.345 -0.054 0.000 1.682 317 W CB 0.272 29.641 29.460 -0.151 0.000 1.065 317 W HN 0.213 nan 8.180 nan 0.000 0.570 318 T N -2.904 111.778 114.554 0.214 0.000 0.541 318 T HA -0.320 4.047 4.350 0.028 0.000 0.774 318 T C 0.520 175.309 174.700 0.149 0.000 0.992 318 T CA 0.558 62.756 62.100 0.163 0.000 4.077 318 T CB -0.764 68.202 68.868 0.164 0.000 2.303 318 T HN 0.107 nan 8.240 nan 0.000 0.398 319 M N 1.315 120.978 119.600 0.104 0.000 2.059 319 M HA -0.112 4.385 4.480 0.028 0.000 0.259 319 M C 2.785 179.147 176.300 0.103 0.000 1.072 319 M CA 2.557 57.910 55.300 0.088 0.000 1.117 319 M CB -0.558 32.078 32.600 0.060 0.000 1.320 319 M HN 0.788 nan 8.290 nan 0.000 0.408 320 Q N -0.053 119.818 119.800 0.119 0.000 2.170 320 Q HA -0.108 4.249 4.340 0.028 0.000 0.203 320 Q C 2.201 178.290 176.000 0.149 0.000 0.976 320 Q CA 1.339 57.211 55.803 0.115 0.000 0.858 320 Q CB -0.404 28.409 28.738 0.124 0.000 0.907 320 Q HN 0.708 nan 8.270 nan 0.000 0.433 321 G N 0.071 109.003 108.800 0.219 0.000 2.421 321 G HA2 -0.312 3.665 3.960 0.028 0.000 0.216 321 G HA3 -0.312 3.665 3.960 0.028 0.000 0.216 321 G C 1.456 176.470 174.900 0.190 0.000 1.171 321 G CA 0.991 46.296 45.100 0.341 0.000 0.775 321 G HN 0.347 nan 8.290 nan 0.000 0.543 322 S N -0.394 115.383 115.700 0.129 0.000 2.356 322 S HA -0.113 4.374 4.470 0.028 0.000 0.223 322 S C 2.542 177.116 174.600 -0.043 0.000 1.032 322 S CA 1.550 59.767 58.200 0.027 0.000 1.005 322 S CB -0.324 62.973 63.200 0.162 0.000 0.867 322 S HN 0.126 nan 8.310 nan 0.000 0.449 323 V N 2.397 122.260 119.914 -0.085 0.000 2.343 323 V HA -0.145 3.992 4.120 0.028 0.000 0.247 323 V C 2.719 178.702 176.094 -0.184 0.000 1.051 323 V CA 1.884 64.042 62.300 -0.237 0.000 1.036 323 V CB -0.725 31.012 31.823 -0.144 0.000 0.654 323 V HN 0.434 nan 8.190 nan 0.000 0.451 324 R N -0.379 120.114 120.500 -0.012 0.000 2.105 324 R HA -0.129 4.228 4.340 0.028 0.000 0.239 324 R C 2.250 178.610 176.300 0.101 0.000 1.135 324 R CA 1.479 57.630 56.100 0.085 0.000 0.967 324 R CB -0.552 29.920 30.300 0.287 0.000 0.861 324 R HN 0.438 nan 8.270 nan 0.000 0.442 325 V N 0.851 120.762 119.914 -0.006 0.000 2.407 325 V HA -0.228 3.909 4.120 0.028 0.000 0.248 325 V C 2.456 178.477 176.094 -0.122 0.000 1.055 325 V CA 1.899 64.099 62.300 -0.166 0.000 1.049 325 V CB -0.634 30.820 31.823 -0.614 0.000 0.662 325 V HN 0.381 nan 8.190 nan 0.000 0.455 326 A N -0.924 121.674 122.820 -0.371 0.000 1.930 326 A HA -0.260 4.077 4.320 0.028 0.000 0.217 326 A C 2.183 179.585 177.584 -0.302 0.000 1.175 326 A CA 1.759 53.400 52.037 -0.661 0.000 0.627 326 A CB -0.422 17.740 19.000 -1.398 0.000 0.815 326 A HN 0.605 nan 8.150 nan 0.000 0.443 327 Q N -1.264 118.397 119.800 -0.231 0.000 2.084 327 Q HA -0.157 4.200 4.340 0.028 0.000 0.202 327 Q C 2.206 178.133 176.000 -0.120 0.000 0.978 327 Q CA 1.635 57.361 55.803 -0.128 0.000 0.844 327 Q CB -0.268 28.405 28.738 -0.109 0.000 0.898 327 Q HN 0.792 nan 8.270 nan 0.000 0.426 328 M N -0.121 119.369 119.600 -0.184 0.000 2.159 328 M HA -0.215 4.282 4.480 0.028 0.000 0.263 328 M C 1.936 178.035 176.300 -0.335 0.000 1.063 328 M CA 1.368 56.433 55.300 -0.392 0.000 1.110 328 M CB -0.127 32.277 32.600 -0.327 0.000 1.374 328 M HN 0.353 nan 8.290 nan 0.000 0.411 329 C N -0.188 119.049 119.300 -0.105 0.000 2.432 329 C HA -0.168 4.309 4.460 0.028 0.000 0.277 329 C C 2.633 177.664 174.990 0.067 0.000 1.249 329 C CA 1.450 60.480 59.018 0.019 0.000 1.725 329 C CB -1.500 26.305 27.740 0.108 0.000 2.028 329 C HN 0.681 nan 8.230 nan 0.000 0.477 330 H N 1.327 120.360 119.070 -0.062 0.000 2.290 330 H HA -0.131 4.443 4.556 0.030 0.000 0.298 330 H C 1.988 177.311 175.328 -0.008 0.000 1.087 330 H CA 2.279 58.306 56.048 -0.036 0.000 1.291 330 H CB -0.406 29.314 29.762 -0.070 0.000 1.369 330 H HN 0.543 nan 8.280 nan 0.000 0.492 331 E N -0.977 119.140 120.200 -0.138 0.000 2.118 331 E HA -0.153 4.214 4.350 0.028 0.000 0.195 331 E C 1.156 177.846 176.600 0.151 0.000 0.992 331 E CA 1.099 57.423 56.400 -0.127 0.000 0.804 331 E CB -0.048 29.564 29.700 -0.146 0.000 0.741 331 E HN 0.433 nan 8.360 nan 0.000 0.458 332 F N -0.922 119.009 119.950 -0.032 0.000 2.727 332 F HA 0.335 4.894 4.527 0.053 0.000 0.302 332 F C 1.539 177.334 175.800 -0.009 0.000 1.097 332 F CA 0.331 58.324 58.000 -0.011 0.000 1.330 332 F CB 0.391 39.404 39.000 0.023 0.000 1.084 332 F HN 0.066 nan 8.300 nan 0.000 0.578 333 G N 0.742 109.633 108.800 0.152 0.000 2.143 333 G HA2 -0.266 3.711 3.960 0.028 0.000 0.249 333 G HA3 -0.266 3.711 3.960 0.028 0.000 0.249 333 G C 0.396 175.361 174.900 0.107 0.000 0.981 333 G CA 0.237 45.395 45.100 0.096 0.000 0.665 333 G HN 0.282 nan 8.290 nan 0.000 0.528 334 L N -0.496 120.805 121.223 0.129 0.000 2.642 334 L HA 0.710 5.067 4.340 0.028 0.000 0.229 334 L C 0.664 177.588 176.870 0.090 0.000 1.179 334 L CA -0.370 54.532 54.840 0.104 0.000 0.834 334 L CB 0.829 42.955 42.059 0.111 0.000 1.515 334 L HN 0.106 nan 8.230 nan 0.000 0.512 335 T N -0.694 113.897 114.554 0.061 0.000 2.890 335 T HA 0.204 4.571 4.350 0.028 0.000 0.295 335 T C -1.083 173.650 174.700 0.055 0.000 0.993 335 T CA -0.347 61.787 62.100 0.056 0.000 0.979 335 T CB 0.830 69.695 68.868 -0.004 0.000 0.967 335 T HN 0.424 nan 8.240 nan 0.000 0.441 336 W N 3.304 124.545 121.300 -0.099 0.000 2.251 336 W HA 0.605 5.279 4.660 0.024 0.000 0.329 336 W C 0.320 176.753 176.519 -0.144 0.000 1.234 336 W CA 0.372 57.636 57.345 -0.136 0.000 1.228 336 W CB 0.651 30.030 29.460 -0.135 0.000 1.135 336 W HN 0.819 nan 8.180 nan 0.000 0.576 337 G N 1.984 110.225 108.800 -0.931 0.000 2.727 337 G HA2 0.532 4.509 3.960 0.028 0.000 0.289 337 G HA3 0.532 4.509 3.960 0.028 0.000 0.289 337 G C -1.777 172.202 174.900 -1.536 0.000 1.418 337 G CA -0.802 43.699 45.100 -0.999 0.000 0.818 337 G HN 0.512 nan 8.290 nan 0.000 0.486 338 S N -1.341 113.780 115.700 -0.965 0.000 2.536 338 S HA 0.568 5.055 4.470 0.028 0.000 0.287 338 S C -1.031 173.348 174.600 -0.370 0.000 1.101 338 S CA -0.768 57.002 58.200 -0.717 0.000 0.950 338 S CB 1.274 64.087 63.200 -0.645 0.000 1.056 338 S HN 0.861 nan 8.310 nan 0.000 0.481 339 H N 2.038 120.940 119.070 -0.281 0.000 2.525 339 H HA 0.742 5.315 4.556 0.029 0.000 0.340 339 H C -0.864 174.464 175.328 -0.000 0.000 1.168 339 H CA -0.236 55.776 56.048 -0.060 0.000 1.247 339 H CB 1.740 31.590 29.762 0.148 0.000 1.568 339 H HN 0.557 nan 8.280 nan 0.000 0.536 340 S N 2.619 117.830 115.700 -0.814 0.000 2.627 340 S HA 0.462 4.949 4.470 0.028 0.000 0.283 340 S C -1.298 173.201 174.600 -0.168 0.000 1.127 340 S CA -0.851 57.177 58.200 -0.287 0.000 0.863 340 S CB 1.381 64.685 63.200 0.173 0.000 1.121 340 S HN 0.814 nan 8.310 nan 0.000 0.479 341 N N 1.553 120.225 118.700 -0.046 0.000 2.284 341 N HA 0.359 5.116 4.740 0.028 0.000 0.289 341 N C -1.615 173.523 175.510 -0.620 0.000 1.179 341 N CA -0.664 52.167 53.050 -0.365 0.000 0.774 341 N CB 1.256 39.673 38.487 -0.115 0.000 1.548 341 N HN 0.710 nan 8.380 nan 0.000 0.473 342 N N 0.707 118.764 118.700 -1.072 0.000 2.294 342 N HA -0.045 4.712 4.740 0.028 0.000 0.263 342 N C -0.444 174.698 175.510 -0.612 0.000 1.281 342 N CA 0.953 53.473 53.050 -0.883 0.000 0.846 342 N CB -0.009 37.797 38.487 -1.135 0.000 1.061 342 N HN 0.561 nan 8.380 nan 0.000 0.478 343 H N -0.423 118.406 119.070 -0.401 0.000 2.942 343 H HA 0.606 5.179 4.556 0.029 0.000 0.316 343 H C -1.202 174.151 175.328 0.042 0.000 1.323 343 H CA -1.037 54.956 56.048 -0.091 0.000 1.144 343 H CB 0.532 30.348 29.762 0.090 0.000 1.866 343 H HN 0.234 nan 8.280 nan 0.000 0.545 344 F N 0.012 120.227 119.950 0.442 0.000 2.450 344 F HA 0.172 4.716 4.527 0.028 0.000 0.361 344 F C 1.465 177.259 175.800 -0.010 0.000 1.092 344 F CA -0.366 57.851 58.000 0.362 0.000 1.105 344 F CB 0.658 39.836 39.000 0.297 0.000 1.458 344 F HN 0.801 nan 8.300 nan 0.000 0.496 345 D N -0.282 120.087 120.400 -0.051 0.000 2.312 345 D HA -0.112 4.545 4.640 0.028 0.000 0.211 345 D C 1.781 177.875 176.300 -0.344 0.000 0.964 345 D CA 1.256 54.958 54.000 -0.498 0.000 0.877 345 D CB -0.397 40.173 40.800 -0.382 0.000 0.924 345 D HN 0.459 nan 8.370 nan 0.000 0.515 346 I N 0.560 121.064 120.570 -0.110 0.000 2.233 346 I HA -0.197 3.990 4.170 0.028 0.000 0.243 346 I C 2.225 178.252 176.117 -0.151 0.000 1.093 346 I CA 0.729 61.950 61.300 -0.132 0.000 1.380 346 I CB -0.199 37.783 38.000 -0.030 0.000 1.067 346 I HN -0.064 nan 8.210 nan 0.000 0.413 347 S N 0.973 116.661 115.700 -0.020 0.000 2.382 347 S HA -0.153 4.334 4.470 0.028 0.000 0.228 347 S C 1.901 176.219 174.600 -0.470 0.000 1.027 347 S CA 1.036 59.238 58.200 0.003 0.000 0.991 347 S CB -0.346 62.964 63.200 0.184 0.000 0.823 347 S HN 0.275 nan 8.310 nan 0.000 0.469 348 L N 2.131 122.978 121.223 -0.627 0.000 1.990 348 L HA -0.100 4.257 4.340 0.028 0.000 0.213 348 L C 2.313 178.540 176.870 -1.071 0.000 1.072 348 L CA 2.185 56.371 54.840 -1.091 0.000 0.755 348 L CB -1.079 40.484 42.059 -0.826 0.000 0.889 348 L HN 0.256 nan 8.230 nan 0.000 0.432 349 A N -1.243 121.050 122.820 -0.878 0.000 2.015 349 A HA -0.173 4.164 4.320 0.028 0.000 0.219 349 A C 2.242 179.667 177.584 -0.265 0.000 1.163 349 A CA 1.747 53.332 52.037 -0.753 0.000 0.646 349 A CB -0.517 17.936 19.000 -0.912 0.000 0.806 349 A HN 0.554 nan 8.150 nan 0.000 0.448 350 M N -0.846 118.588 119.600 -0.278 0.000 2.067 350 M HA -0.111 4.386 4.480 0.028 0.000 0.260 350 M C 2.024 178.332 176.300 0.013 0.000 1.069 350 M CA 2.059 57.309 55.300 -0.084 0.000 1.117 350 M CB -0.557 32.000 32.600 -0.071 0.000 1.334 350 M HN 0.702 nan 8.290 nan 0.000 0.407 351 F N -0.733 119.216 119.950 -0.003 0.000 2.502 351 F HA 0.059 4.604 4.527 0.029 0.000 0.298 351 F C 1.926 177.780 175.800 0.091 0.000 1.111 351 F CA 0.958 58.983 58.000 0.041 0.000 1.445 351 F CB -1.883 37.132 39.000 0.025 0.000 1.081 351 F HN -0.071 nan 8.300 nan 0.000 0.558 352 T N -0.205 114.362 114.554 0.021 0.000 2.812 352 T HA -0.132 4.235 4.350 0.028 0.000 0.264 352 T C 1.734 176.471 174.700 0.061 0.000 1.042 352 T CA 1.717 63.867 62.100 0.083 0.000 1.140 352 T CB -0.504 68.396 68.868 0.054 0.000 0.870 352 T HN 0.446 nan 8.240 nan 0.000 0.445 353 H N 0.306 119.432 119.070 0.094 0.000 2.423 353 H HA 0.044 4.617 4.556 0.028 0.000 0.297 353 H C 2.430 177.786 175.328 0.047 0.000 1.075 353 H CA 0.906 56.993 56.048 0.064 0.000 1.342 353 H CB -0.304 29.482 29.762 0.040 0.000 1.395 353 H HN 0.174 nan 8.280 nan 0.000 0.530 354 V N 1.109 121.140 119.914 0.196 0.000 2.261 354 V HA -0.245 3.891 4.120 0.028 0.000 0.246 354 V C 2.833 178.957 176.094 0.050 0.000 1.047 354 V CA 1.672 64.052 62.300 0.133 0.000 1.015 354 V CB -0.975 30.976 31.823 0.213 0.000 0.642 354 V HN 0.454 nan 8.190 nan 0.000 0.446 355 A N -0.135 122.812 122.820 0.211 0.000 1.978 355 A HA -0.115 4.222 4.320 0.028 0.000 0.220 355 A C 2.338 179.917 177.584 -0.008 0.000 1.170 355 A CA 1.952 54.092 52.037 0.172 0.000 0.636 355 A CB -0.708 18.517 19.000 0.375 0.000 0.810 355 A HN 0.609 nan 8.150 nan 0.000 0.448 356 A N -0.746 122.080 122.820 0.011 0.000 2.067 356 A HA 0.284 4.621 4.320 0.028 0.000 0.219 356 A C 2.053 179.599 177.584 -0.064 0.000 1.158 356 A CA 1.633 53.656 52.037 -0.024 0.000 0.661 356 A CB -0.490 18.500 19.000 -0.017 0.000 0.801 356 A HN 1.084 nan 8.150 nan 0.000 0.452 357 A N -1.165 121.594 122.820 -0.102 0.000 2.348 357 A HA 0.653 4.990 4.320 0.028 0.000 0.224 357 A C 1.043 178.469 177.584 -0.264 0.000 1.227 357 A CA 0.537 52.490 52.037 -0.140 0.000 0.885 357 A CB -0.421 18.526 19.000 -0.088 0.000 0.933 357 A HN 0.827 nan 8.150 nan 0.000 0.506 358 A N 2.097 124.685 122.820 -0.388 0.000 2.347 358 A HA 0.607 4.944 4.320 0.028 0.000 0.287 358 A C -2.539 174.829 177.584 -0.360 0.000 1.199 358 A CA -1.386 50.311 52.037 -0.567 0.000 0.851 358 A CB 0.018 18.488 19.000 -0.883 0.000 1.118 358 A HN 0.254 nan 8.150 nan 0.000 0.525 359 P HA 0.528 nan 4.420 nan 0.000 0.278 359 P C 0.735 177.715 177.300 -0.533 0.000 1.258 359 P CA 1.072 63.930 63.100 -0.405 0.000 0.811 359 P CB 1.105 32.544 31.700 -0.434 0.000 1.063 360 G N -0.712 107.743 108.800 -0.574 0.000 2.598 360 G HA2 0.035 4.012 3.960 0.028 0.000 0.244 360 G HA3 0.035 4.012 3.960 0.028 0.000 0.244 360 G C -0.302 174.519 174.900 -0.130 0.000 1.302 360 G CA 0.036 44.878 45.100 -0.431 0.000 0.903 360 G HN 0.763 nan 8.290 nan 0.000 0.575 361 K N -0.021 120.372 120.400 -0.013 0.000 2.285 361 K HA 0.705 5.042 4.320 0.028 0.000 0.286 361 K C 0.589 177.223 176.600 0.057 0.000 1.072 361 K CA 0.206 56.509 56.287 0.027 0.000 0.913 361 K CB 0.195 32.724 32.500 0.048 0.000 1.067 361 K HN 1.701 nan 8.250 nan 0.000 0.479 362 I N -1.513 119.099 120.570 0.070 0.000 2.750 362 I HA 0.634 4.821 4.170 0.028 0.000 0.308 362 I C 0.408 176.568 176.117 0.072 0.000 1.016 362 I CA -0.796 60.582 61.300 0.130 0.000 1.098 362 I CB 2.410 40.561 38.000 0.251 0.000 1.279 362 I HN 0.442 nan 8.210 nan 0.000 0.454 363 T N 2.419 116.987 114.554 0.023 0.000 2.816 363 T HA 0.550 4.917 4.350 0.028 0.000 0.282 363 T C 0.214 174.897 174.700 -0.029 0.000 0.993 363 T CA -0.173 61.904 62.100 -0.038 0.000 0.994 363 T CB 0.774 69.548 68.868 -0.158 0.000 1.025 363 T HN 0.837 nan 8.240 nan 0.000 0.529 364 A N 3.444 126.247 122.820 -0.028 0.000 2.450 364 A HA 0.436 4.773 4.320 0.028 0.000 0.255 364 A C 0.226 177.751 177.584 -0.099 0.000 1.096 364 A CA -0.501 51.515 52.037 -0.035 0.000 0.778 364 A CB -0.281 18.693 19.000 -0.044 0.000 1.031 364 A HN 0.674 nan 8.150 nan 0.000 0.494 365 I N 2.928 123.449 120.570 -0.082 0.000 2.533 365 I HA 0.047 4.234 4.170 0.028 0.000 0.284 365 I C 0.227 176.228 176.117 -0.194 0.000 1.109 365 I CA -0.340 60.868 61.300 -0.154 0.000 1.412 365 I CB -0.320 37.665 38.000 -0.024 0.000 1.396 365 I HN 0.540 nan 8.210 nan 0.000 0.543 366 D N 4.236 124.462 120.400 -0.289 0.000 2.399 366 D HA 0.345 5.002 4.640 0.028 0.000 0.241 366 D C 0.450 176.628 176.300 -0.203 0.000 1.133 366 D CA 0.521 54.355 54.000 -0.278 0.000 0.890 366 D CB 0.747 41.370 40.800 -0.295 0.000 1.201 366 D HN 0.570 nan 8.370 nan 0.000 0.432 367 T N 0.407 115.006 114.554 0.074 0.000 3.393 367 T HA 0.179 4.546 4.350 0.028 0.000 0.359 367 T C -0.526 174.483 174.700 0.516 0.000 1.380 367 T CA -0.557 61.772 62.100 0.382 0.000 1.132 367 T CB 0.419 69.645 68.868 0.598 0.000 1.284 367 T HN 0.369 nan 8.240 nan 0.000 0.477 368 H N 2.762 122.142 119.070 0.517 0.000 2.539 368 H HA 0.259 4.832 4.556 0.028 0.000 0.269 368 H C 1.553 177.066 175.328 0.309 0.000 0.980 368 H CA 0.257 56.531 56.048 0.376 0.000 1.152 368 H CB 0.229 30.047 29.762 0.093 0.000 1.407 368 H HN 0.623 nan 8.280 nan 0.000 0.564 369 W N 2.064 123.440 121.300 0.126 0.000 2.290 369 W HA -0.321 4.355 4.660 0.028 0.000 0.318 369 W C 1.591 178.135 176.519 0.040 0.000 1.248 369 W CA 2.044 59.377 57.345 -0.021 0.000 1.263 369 W CB -0.217 29.315 29.460 0.119 0.000 1.147 369 W HN 0.388 nan 8.180 nan 0.000 0.494 370 I N -1.892 118.612 120.570 -0.109 0.000 2.399 370 I HA -0.281 3.906 4.170 0.028 0.000 0.254 370 I C 1.889 178.010 176.117 0.007 0.000 1.146 370 I CA 1.991 63.091 61.300 -0.334 0.000 1.412 370 I CB -1.364 36.207 38.000 -0.716 0.000 1.076 370 I HN -0.066 nan 8.210 nan 0.000 0.432 371 W N 0.981 122.348 121.300 0.111 0.000 2.467 371 W HA -0.016 4.660 4.660 0.028 0.000 0.275 371 W C 2.310 178.748 176.519 -0.135 0.000 1.239 371 W CA 0.476 57.837 57.345 0.026 0.000 1.266 371 W CB -0.376 29.030 29.460 -0.089 0.000 1.112 371 W HN 0.162 nan 8.180 nan 0.000 0.576 372 Q N -0.248 119.473 119.800 -0.133 0.000 2.352 372 Q HA 0.056 4.413 4.340 0.028 0.000 0.212 372 Q C 0.916 176.570 176.000 -0.576 0.000 0.888 372 Q CA 0.297 55.934 55.803 -0.277 0.000 0.934 372 Q CB 0.024 28.595 28.738 -0.279 0.000 1.093 372 Q HN 0.003 nan 8.270 nan 0.000 0.523 373 E N -0.442 119.233 120.200 -0.874 0.000 2.404 373 E HA 0.202 4.568 4.350 0.028 0.000 0.261 373 E C 0.754 177.211 176.600 -0.238 0.000 1.074 373 E CA 0.977 56.869 56.400 -0.847 0.000 0.917 373 E CB 0.536 29.693 29.700 -0.905 0.000 0.965 373 E HN 0.320 nan 8.360 nan 0.000 0.433 374 G N 4.195 112.940 108.800 -0.093 0.000 2.527 374 G HA2 -0.338 3.639 3.960 0.028 0.000 0.218 374 G HA3 -0.338 3.639 3.960 0.028 0.000 0.218 374 G C 0.640 175.449 174.900 -0.151 0.000 1.177 374 G CA 0.592 45.617 45.100 -0.125 0.000 0.695 374 G HN 0.634 nan 8.290 nan 0.000 0.517 375 N N 0.960 119.549 118.700 -0.184 0.000 2.171 375 N HA 0.248 5.004 4.740 0.028 0.000 0.212 375 N C 0.365 175.905 175.510 0.049 0.000 1.184 375 N CA 0.419 53.419 53.050 -0.083 0.000 0.888 375 N CB 0.336 38.734 38.487 -0.148 0.000 1.038 375 N HN 0.665 nan 8.380 nan 0.000 0.517 376 Q N 0.447 120.315 119.800 0.113 0.000 2.359 376 Q HA 0.557 4.914 4.340 0.028 0.000 0.274 376 Q C -0.846 175.415 176.000 0.434 0.000 1.074 376 Q CA -0.875 55.100 55.803 0.287 0.000 0.810 376 Q CB 3.047 31.994 28.738 0.349 0.000 1.342 376 Q HN 0.336 nan 8.270 nan 0.000 0.427 377 R N 0.543 121.318 120.500 0.458 0.000 2.712 377 R HA 0.423 4.779 4.340 0.028 0.000 0.272 377 R C -1.418 175.045 176.300 0.272 0.000 1.032 377 R CA -0.750 55.628 56.100 0.463 0.000 0.874 377 R CB 0.307 30.815 30.300 0.347 0.000 1.256 377 R HN 0.528 nan 8.270 nan 0.000 0.468 378 L N 0.190 121.515 121.223 0.170 0.000 2.993 378 L HA 0.217 4.574 4.340 0.028 0.000 0.264 378 L C 0.285 177.160 176.870 0.009 0.000 1.154 378 L CA 1.163 56.002 54.840 -0.002 0.000 0.972 378 L CB 1.024 42.997 42.059 -0.143 0.000 1.373 378 L HN 0.961 nan 8.230 nan 0.000 0.564 379 T N -4.778 109.806 114.554 0.050 0.000 2.950 379 T HA 0.301 4.668 4.350 0.028 0.000 0.288 379 T C 1.050 175.791 174.700 0.069 0.000 1.035 379 T CA -0.610 61.511 62.100 0.035 0.000 1.028 379 T CB 1.708 70.581 68.868 0.008 0.000 1.109 379 T HN -0.051 nan 8.240 nan 0.000 0.514 380 K N 0.169 120.604 120.400 0.059 0.000 2.147 380 K HA -0.016 4.321 4.320 0.028 0.000 0.205 380 K C 0.339 176.996 176.600 0.095 0.000 1.049 380 K CA 1.267 57.596 56.287 0.070 0.000 0.936 380 K CB 0.048 32.581 32.500 0.055 0.000 0.722 380 K HN 0.661 nan 8.250 nan 0.000 0.446 381 E N 0.582 120.850 120.200 0.113 0.000 2.642 381 E HA 0.187 4.554 4.350 0.028 0.000 0.284 381 E C -2.697 174.018 176.600 0.191 0.000 1.039 381 E CA -1.683 54.803 56.400 0.144 0.000 0.777 381 E CB 1.774 31.550 29.700 0.127 0.000 1.473 381 E HN -0.045 nan 8.360 nan 0.000 0.388 382 P HA -0.048 nan 4.420 nan 0.000 0.265 382 P C -0.428 177.064 177.300 0.319 0.000 1.187 382 P CA 0.174 63.407 63.100 0.222 0.000 0.766 382 P CB 0.279 32.198 31.700 0.365 0.000 0.820 383 F N 1.651 121.587 119.950 -0.024 0.000 2.518 383 F HA 0.098 4.641 4.527 0.028 0.000 0.359 383 F C 1.471 177.314 175.800 0.072 0.000 1.118 383 F CA -0.040 57.948 58.000 -0.021 0.000 1.287 383 F CB -0.234 38.699 39.000 -0.112 0.000 1.132 383 F HN 0.313 nan 8.300 nan 0.000 0.587 384 E N 2.929 123.272 120.200 0.239 0.000 2.202 384 E HA 0.449 4.816 4.350 0.028 0.000 0.272 384 E C -0.818 175.896 176.600 0.190 0.000 0.951 384 E CA -0.770 55.777 56.400 0.245 0.000 0.813 384 E CB 2.240 32.044 29.700 0.173 0.000 1.151 384 E HN 0.363 nan 8.360 nan 0.000 0.398 385 I N 2.806 123.518 120.570 0.237 0.000 2.297 385 I HA 0.196 4.383 4.170 0.028 0.000 0.291 385 I C -0.273 175.880 176.117 0.060 0.000 1.033 385 I CA -0.122 61.267 61.300 0.148 0.000 1.253 385 I CB 0.317 38.404 38.000 0.145 0.000 1.396 385 I HN 0.215 nan 8.210 nan 0.000 0.476 386 K N 4.470 124.862 120.400 -0.013 0.000 2.541 386 K HA 0.476 4.813 4.320 0.028 0.000 0.250 386 K C 0.361 176.910 176.600 -0.085 0.000 0.950 386 K CA -0.655 55.590 56.287 -0.070 0.000 0.805 386 K CB 2.061 34.532 32.500 -0.047 0.000 1.166 386 K HN 0.785 nan 8.250 nan 0.000 0.430 387 G N 1.596 110.315 108.800 -0.135 0.000 2.179 387 G HA2 -0.252 3.725 3.960 0.028 0.000 0.257 387 G HA3 -0.252 3.725 3.960 0.028 0.000 0.257 387 G C 0.742 175.596 174.900 -0.077 0.000 1.010 387 G CA 0.658 45.700 45.100 -0.096 0.000 0.736 387 G HN 1.212 nan 8.290 nan 0.000 0.513 388 G N -2.100 106.602 108.800 -0.164 0.000 2.155 388 G HA2 -0.169 3.808 3.960 0.028 0.000 0.257 388 G HA3 -0.169 3.808 3.960 0.028 0.000 0.257 388 G C 0.254 175.178 174.900 0.040 0.000 0.983 388 G CA 0.870 45.923 45.100 -0.079 0.000 0.676 388 G HN 1.465 nan 8.290 nan 0.000 0.528 389 L N -0.289 120.938 121.223 0.007 0.000 2.342 389 L HA 0.772 5.129 4.340 0.028 0.000 0.271 389 L C 0.042 176.935 176.870 0.038 0.000 1.008 389 L CA -1.389 53.471 54.840 0.033 0.000 0.818 389 L CB 2.404 44.468 42.059 0.008 0.000 1.296 389 L HN -0.085 nan 8.230 nan 0.000 0.427 390 V N 2.055 122.000 119.914 0.052 0.000 2.409 390 V HA 0.313 4.450 4.120 0.028 0.000 0.291 390 V C -0.300 175.769 176.094 -0.042 0.000 1.020 390 V CA -0.872 61.450 62.300 0.037 0.000 0.848 390 V CB 1.534 33.423 31.823 0.110 0.000 0.990 390 V HN 0.631 nan 8.190 nan 0.000 0.430 391 Q N 2.957 122.689 119.800 -0.113 0.000 2.332 391 Q HA 0.326 4.683 4.340 0.028 0.000 0.263 391 Q C -0.318 175.512 176.000 -0.284 0.000 0.979 391 Q CA -0.241 55.462 55.803 -0.166 0.000 0.885 391 Q CB 1.794 30.433 28.738 -0.166 0.000 1.218 391 Q HN 0.527 nan 8.270 nan 0.000 0.405 392 V N 5.660 125.436 119.914 -0.230 0.000 2.408 392 V HA 0.166 4.302 4.120 0.028 0.000 0.267 392 V C -1.879 174.054 176.094 -0.269 0.000 1.047 392 V CA -1.391 60.733 62.300 -0.292 0.000 0.937 392 V CB 0.644 32.348 31.823 -0.199 0.000 0.999 392 V HN 0.637 nan 8.190 nan 0.000 0.472 393 P HA 0.188 nan 4.420 nan 0.000 0.271 393 P C 0.414 177.690 177.300 -0.040 0.000 1.218 393 P CA -0.226 62.761 63.100 -0.188 0.000 0.780 393 P CB 1.268 32.872 31.700 -0.160 0.000 0.901 394 E N 1.601 121.777 120.200 -0.039 0.000 2.230 394 E HA -0.035 4.332 4.350 0.028 0.000 0.192 394 E C 0.074 176.679 176.600 0.008 0.000 0.987 394 E CA 0.751 57.144 56.400 -0.011 0.000 0.841 394 E CB -0.188 29.495 29.700 -0.028 0.000 0.783 394 E HN 0.333 nan 8.360 nan 0.000 0.481 395 K N 1.919 122.323 120.400 0.008 0.000 2.527 395 K HA 0.005 4.342 4.320 0.028 0.000 0.278 395 K C -2.282 174.324 176.600 0.010 0.000 0.981 395 K CA -1.099 55.192 56.287 0.008 0.000 1.009 395 K CB -0.225 32.287 32.500 0.020 0.000 0.895 395 K HN 0.050 nan 8.250 nan 0.000 0.493 396 P HA -0.046 nan 4.420 nan 0.000 0.269 396 P C 0.537 177.791 177.300 -0.078 0.000 1.215 396 P CA 0.525 63.591 63.100 -0.058 0.000 0.780 396 P CB 0.587 32.238 31.700 -0.082 0.000 0.898 397 G N 0.871 109.599 108.800 -0.119 0.000 2.539 397 G HA2 -0.292 3.685 3.960 0.028 0.000 0.256 397 G HA3 -0.292 3.685 3.960 0.028 0.000 0.256 397 G C 0.725 175.494 174.900 -0.218 0.000 1.233 397 G CA 0.014 45.018 45.100 -0.160 0.000 0.936 397 G HN 0.473 nan 8.290 nan 0.000 0.571 398 L N 1.706 122.831 121.223 -0.164 0.000 2.291 398 L HA 0.268 4.625 4.340 0.028 0.000 0.214 398 L C 2.486 179.494 176.870 0.230 0.000 1.120 398 L CA 1.478 56.252 54.840 -0.110 0.000 0.799 398 L CB -0.593 41.422 42.059 -0.072 0.000 0.925 398 L HN 2.191 nan 8.230 nan 0.000 0.446 399 G N 0.532 109.429 108.800 0.161 0.000 2.147 399 G HA2 -0.228 3.748 3.960 0.028 0.000 0.244 399 G HA3 -0.228 3.748 3.960 0.028 0.000 0.244 399 G C 0.084 175.143 174.900 0.264 0.000 1.005 399 G CA 0.276 45.518 45.100 0.237 0.000 0.713 399 G HN 0.330 nan 8.290 nan 0.000 0.515 400 V N -3.789 116.203 119.914 0.129 0.000 2.960 400 V HA 0.941 5.077 4.120 0.028 0.000 0.315 400 V C -0.371 175.741 176.094 0.030 0.000 1.087 400 V CA -1.333 61.013 62.300 0.076 0.000 0.982 400 V CB 2.241 34.041 31.823 -0.038 0.000 1.039 400 V HN 0.222 nan 8.190 nan 0.000 0.437 401 E N 2.518 122.735 120.200 0.028 0.000 2.235 401 E HA 0.418 4.785 4.350 0.028 0.000 0.252 401 E C -0.984 175.620 176.600 0.006 0.000 0.886 401 E CA -0.732 55.677 56.400 0.015 0.000 0.767 401 E CB 2.151 31.867 29.700 0.026 0.000 1.205 401 E HN 0.781 nan 8.360 nan 0.000 0.421 402 I N 2.536 123.100 120.570 -0.010 0.000 2.752 402 I HA -0.057 4.130 4.170 0.028 0.000 0.287 402 I C -0.045 176.066 176.117 -0.009 0.000 1.188 402 I CA 0.383 61.672 61.300 -0.019 0.000 1.427 402 I CB 0.477 38.458 38.000 -0.033 0.000 1.365 402 I HN 0.407 nan 8.210 nan 0.000 0.585 403 D N 7.871 128.266 120.400 -0.008 0.000 2.473 403 D HA 0.081 4.738 4.640 0.028 0.000 0.226 403 D C 0.837 177.128 176.300 -0.014 0.000 1.089 403 D CA -0.412 53.589 54.000 0.001 0.000 0.883 403 D CB 0.880 41.692 40.800 0.021 0.000 1.029 403 D HN 0.486 nan 8.370 nan 0.000 0.517 404 M N 2.218 121.809 119.600 -0.015 0.000 2.346 404 M HA -0.127 4.370 4.480 0.028 0.000 0.263 404 M C 1.321 177.612 176.300 -0.014 0.000 1.064 404 M CA 1.119 56.405 55.300 -0.023 0.000 1.083 404 M CB -0.721 31.867 32.600 -0.020 0.000 1.399 404 M HN 0.401 nan 8.290 nan 0.000 0.435 405 D N -0.517 119.883 120.400 -0.001 0.000 2.084 405 D HA -0.152 4.505 4.640 0.028 0.000 0.196 405 D C 2.057 178.363 176.300 0.010 0.000 0.985 405 D CA 1.025 55.030 54.000 0.008 0.000 0.826 405 D CB 0.256 41.066 40.800 0.016 0.000 0.978 405 D HN 0.183 nan 8.370 nan 0.000 0.456 406 Q N 0.097 119.903 119.800 0.010 0.000 2.096 406 Q HA -0.109 4.248 4.340 0.028 0.000 0.204 406 Q C 2.470 178.452 176.000 -0.029 0.000 0.982 406 Q CA 0.708 56.518 55.803 0.011 0.000 0.850 406 Q CB -0.586 28.166 28.738 0.023 0.000 0.901 406 Q HN 0.287 nan 8.270 nan 0.000 0.422 407 V N 0.959 120.840 119.914 -0.055 0.000 2.287 407 V HA -0.279 3.857 4.120 0.028 0.000 0.248 407 V C 2.353 178.426 176.094 -0.035 0.000 1.053 407 V CA 1.585 63.829 62.300 -0.094 0.000 1.027 407 V CB -0.502 31.259 31.823 -0.102 0.000 0.646 407 V HN 0.332 nan 8.190 nan 0.000 0.447 408 M N -0.345 119.257 119.600 0.003 0.000 2.175 408 M HA -0.122 4.375 4.480 0.028 0.000 0.264 408 M C 2.119 178.465 176.300 0.077 0.000 1.063 408 M CA 1.600 56.941 55.300 0.068 0.000 1.119 408 M CB -1.111 31.516 32.600 0.045 0.000 1.377 408 M HN 0.377 nan 8.290 nan 0.000 0.415 409 K N 0.137 120.559 120.400 0.036 0.000 2.097 409 K HA -0.048 4.289 4.320 0.028 0.000 0.206 409 K C 2.089 178.704 176.600 0.026 0.000 1.049 409 K CA 1.496 57.801 56.287 0.031 0.000 0.933 409 K CB -0.313 32.212 32.500 0.041 0.000 0.717 409 K HN 0.284 nan 8.250 nan 0.000 0.442 410 A N 1.277 124.104 122.820 0.012 0.000 1.929 410 A HA -0.193 4.144 4.320 0.028 0.000 0.216 410 A C 2.006 179.601 177.584 0.019 0.000 1.176 410 A CA 1.601 53.628 52.037 -0.016 0.000 0.628 410 A CB -0.667 18.250 19.000 -0.138 0.000 0.816 410 A HN 0.358 nan 8.150 nan 0.000 0.444 411 H N 0.419 119.448 119.070 -0.068 0.000 2.290 411 H HA -0.106 4.467 4.556 0.028 0.000 0.298 411 H C 1.877 177.221 175.328 0.027 0.000 1.087 411 H CA 2.032 58.058 56.048 -0.036 0.000 1.291 411 H CB -0.074 29.655 29.762 -0.054 0.000 1.369 411 H HN 0.369 nan 8.280 nan 0.000 0.492 412 E N 0.196 120.278 120.200 -0.196 0.000 2.118 412 E HA -0.153 4.214 4.350 0.028 0.000 0.195 412 E C 2.482 178.955 176.600 -0.211 0.000 0.992 412 E CA 0.972 57.217 56.400 -0.259 0.000 0.804 412 E CB -0.678 28.943 29.700 -0.131 0.000 0.741 412 E HN 0.426 nan 8.360 nan 0.000 0.458 413 L N 0.192 121.340 121.223 -0.125 0.000 2.083 413 L HA -0.193 4.164 4.340 0.028 0.000 0.209 413 L C 2.351 179.116 176.870 -0.175 0.000 1.083 413 L CA 1.540 56.297 54.840 -0.138 0.000 0.752 413 L CB -0.637 41.356 42.059 -0.109 0.000 0.899 413 L HN 0.120 nan 8.230 nan 0.000 0.433 414 Y N -0.603 119.548 120.300 -0.247 0.000 2.114 414 Y HA -0.325 4.242 4.550 0.028 0.000 0.284 414 Y C 2.585 178.352 175.900 -0.222 0.000 1.143 414 Y CA 1.904 59.877 58.100 -0.213 0.000 1.135 414 Y CB -0.010 38.371 38.460 -0.131 0.000 0.980 414 Y HN 0.239 nan 8.280 nan 0.000 0.499 415 Q N 0.801 120.441 119.800 -0.266 0.000 2.050 415 Q HA -0.218 4.139 4.340 0.028 0.000 0.202 415 Q C 2.198 177.999 176.000 -0.333 0.000 0.980 415 Q CA 2.016 57.631 55.803 -0.314 0.000 0.840 415 Q CB -0.540 27.998 28.738 -0.334 0.000 0.898 415 Q HN 0.542 nan 8.270 nan 0.000 0.424 416 K N -0.459 119.722 120.400 -0.365 0.000 2.280 416 K HA -0.143 4.194 4.320 0.028 0.000 0.202 416 K C 1.056 177.268 176.600 -0.646 0.000 1.047 416 K CA 1.117 57.117 56.287 -0.478 0.000 0.942 416 K CB 0.065 32.234 32.500 -0.552 0.000 0.739 416 K HN 0.283 nan 8.250 nan 0.000 0.457 417 H N -1.075 117.770 119.070 -0.375 0.000 2.652 417 H HA 0.156 4.729 4.556 0.028 0.000 0.274 417 H C 0.628 175.764 175.328 -0.319 0.000 1.021 417 H CA 0.556 56.387 56.048 -0.362 0.000 1.187 417 H CB 0.982 30.432 29.762 -0.521 0.000 1.505 417 H HN 0.450 nan 8.280 nan 0.000 0.530 418 G N 2.070 110.691 108.800 -0.299 0.000 2.341 418 G HA2 -0.290 3.687 3.960 0.028 0.000 0.292 418 G HA3 -0.290 3.687 3.960 0.028 0.000 0.292 418 G C 0.264 174.970 174.900 -0.323 0.000 1.021 418 G CA 0.358 45.283 45.100 -0.293 0.000 0.905 418 G HN 0.257 nan 8.290 nan 0.000 0.508 419 L N -1.069 119.853 121.223 -0.501 0.000 2.479 419 L HA 0.795 5.152 4.340 0.028 0.000 0.249 419 L C 1.355 178.010 176.870 -0.357 0.000 1.178 419 L CA 0.007 54.617 54.840 -0.383 0.000 0.811 419 L CB 0.906 42.802 42.059 -0.271 0.000 1.187 419 L HN 0.395 nan 8.230 nan 0.000 0.480 420 G N -1.008 107.766 108.800 -0.043 0.000 2.696 420 G HA2 0.508 4.485 3.960 0.028 0.000 0.151 420 G HA3 0.508 4.485 3.960 0.028 0.000 0.151 420 G C -1.336 173.622 174.900 0.096 0.000 1.197 420 G CA -0.058 45.114 45.100 0.119 0.000 1.053 420 G HN 0.789 nan 8.290 nan 0.000 0.546 421 A N 0.194 123.054 122.820 0.067 0.000 2.531 421 A HA 0.518 4.855 4.320 0.028 0.000 0.236 421 A C 0.927 178.508 177.584 -0.006 0.000 1.062 421 A CA 0.404 52.464 52.037 0.038 0.000 0.760 421 A CB -0.045 18.991 19.000 0.062 0.000 0.995 421 A HN 0.868 nan 8.150 nan 0.000 0.501 422 R N 1.037 121.482 120.500 -0.090 0.000 2.570 422 R HA 0.149 4.506 4.340 0.028 0.000 0.277 422 R C -1.243 175.003 176.300 -0.089 0.000 1.039 422 R CA 0.416 56.385 56.100 -0.218 0.000 1.065 422 R CB 0.308 30.237 30.300 -0.618 0.000 0.964 422 R HN 0.694 nan 8.270 nan 0.000 0.428 423 D N 2.931 123.292 120.400 -0.066 0.000 2.323 423 D HA 0.134 4.791 4.640 0.028 0.000 0.242 423 D C -0.870 175.447 176.300 0.029 0.000 1.347 423 D CA -0.546 53.474 54.000 0.033 0.000 0.988 423 D CB 1.174 42.004 40.800 0.049 0.000 1.314 423 D HN 0.513 nan 8.370 nan 0.000 0.564 424 D N 1.819 122.257 120.400 0.064 0.000 2.363 424 D HA 0.094 4.751 4.640 0.028 0.000 0.226 424 D C 1.775 178.107 176.300 0.052 0.000 1.020 424 D CA 0.453 54.488 54.000 0.058 0.000 0.892 424 D CB 0.405 41.276 40.800 0.118 0.000 0.900 424 D HN 0.477 nan 8.370 nan 0.000 0.531 425 A N 0.753 123.670 122.820 0.162 0.000 1.929 425 A HA -0.098 4.239 4.320 0.028 0.000 0.216 425 A C 2.030 179.682 177.584 0.112 0.000 1.176 425 A CA 0.662 52.862 52.037 0.272 0.000 0.628 425 A CB -0.366 18.868 19.000 0.390 0.000 0.816 425 A HN 0.133 nan 8.150 nan 0.000 0.444 426 M N 0.615 120.264 119.600 0.081 0.000 2.163 426 M HA -0.191 4.306 4.480 0.028 0.000 0.258 426 M C 2.076 178.407 176.300 0.051 0.000 1.071 426 M CA 2.510 57.841 55.300 0.052 0.000 1.093 426 M CB -1.657 30.980 32.600 0.061 0.000 1.285 426 M HN 0.362 nan 8.290 nan 0.000 0.420 427 G N 0.415 109.267 108.800 0.087 0.000 2.485 427 G HA2 -0.233 3.744 3.960 0.028 0.000 0.221 427 G HA3 -0.233 3.744 3.960 0.028 0.000 0.221 427 G C 1.421 176.361 174.900 0.066 0.000 1.115 427 G CA 1.038 46.239 45.100 0.168 0.000 0.751 427 G HN 0.485 nan 8.290 nan 0.000 0.567 428 M N 0.266 119.774 119.600 -0.153 0.000 2.296 428 M HA -0.004 4.493 4.480 0.028 0.000 0.265 428 M C 2.524 178.739 176.300 -0.141 0.000 1.064 428 M CA 0.713 55.824 55.300 -0.314 0.000 1.109 428 M CB -0.847 31.182 32.600 -0.953 0.000 1.396 428 M HN 0.197 nan 8.290 nan 0.000 0.430 429 Q N -0.278 119.443 119.800 -0.131 0.000 2.197 429 Q HA -0.171 4.186 4.340 0.028 0.000 0.207 429 Q C 1.884 177.742 176.000 -0.236 0.000 0.984 429 Q CA 1.758 57.449 55.803 -0.187 0.000 0.869 429 Q CB -0.830 27.736 28.738 -0.286 0.000 0.906 429 Q HN 0.618 nan 8.270 nan 0.000 0.426 430 Y N 0.218 120.523 120.300 0.007 0.000 2.314 430 Y HA -0.080 4.487 4.550 0.028 0.000 0.293 430 Y C 2.271 178.169 175.900 -0.003 0.000 1.129 430 Y CA 0.597 58.702 58.100 0.008 0.000 1.201 430 Y CB -0.065 38.403 38.460 0.013 0.000 0.999 430 Y HN 0.012 nan 8.280 nan 0.000 0.541 431 L N -0.808 120.473 121.223 0.097 0.000 2.202 431 L HA 0.127 4.484 4.340 0.028 0.000 0.205 431 L C 0.156 177.046 176.870 0.032 0.000 1.083 431 L CA 0.794 55.657 54.840 0.038 0.000 0.790 431 L CB 0.066 42.110 42.059 -0.026 0.000 0.942 431 L HN 0.045 nan 8.230 nan 0.000 0.452 432 I N 1.091 121.679 120.570 0.028 0.000 2.560 432 I HA 0.255 4.442 4.170 0.028 0.000 0.278 432 I C -2.578 173.604 176.117 0.108 0.000 1.089 432 I CA -1.698 59.657 61.300 0.093 0.000 1.086 432 I CB 2.148 40.254 38.000 0.177 0.000 1.202 432 I HN -0.245 nan 8.210 nan 0.000 0.471 433 P HA 0.140 nan 4.420 nan 0.000 0.267 433 P C 0.996 178.342 177.300 0.077 0.000 1.209 433 P CA 0.793 63.915 63.100 0.037 0.000 0.763 433 P CB 0.824 32.535 31.700 0.018 0.000 0.816 434 G N 2.407 111.257 108.800 0.084 0.000 2.213 434 G HA2 -0.251 3.726 3.960 0.028 0.000 0.236 434 G HA3 -0.251 3.726 3.960 0.028 0.000 0.236 434 G C -0.053 174.936 174.900 0.148 0.000 0.991 434 G CA -0.368 44.786 45.100 0.089 0.000 0.629 434 G HN 0.548 nan 8.290 nan 0.000 0.517 435 W N 3.187 124.490 121.300 0.005 0.000 2.551 435 W HA 0.329 5.005 4.660 0.028 0.000 0.336 435 W C 1.035 177.582 176.519 0.048 0.000 1.158 435 W CA 1.587 58.948 57.345 0.028 0.000 1.258 435 W CB 0.398 29.880 29.460 0.037 0.000 1.157 435 W HN 0.632 nan 8.180 nan 0.000 0.562 436 T N 4.435 118.640 114.554 -0.582 0.000 2.887 436 T HA 0.411 4.778 4.350 0.028 0.000 0.288 436 T C -0.639 173.302 174.700 -1.265 0.000 1.021 436 T CA -1.014 60.733 62.100 -0.588 0.000 1.000 436 T CB 1.200 69.899 68.868 -0.282 0.000 1.034 436 T HN 0.424 nan 8.240 nan 0.000 0.467 437 F N 2.097 121.481 119.950 -0.944 0.000 2.563 437 F HA 0.343 4.886 4.527 0.027 0.000 0.363 437 F C 0.211 175.753 175.800 -0.429 0.000 1.123 437 F CA 0.176 57.764 58.000 -0.686 0.000 1.307 437 F CB 0.485 39.379 39.000 -0.177 0.000 1.115 437 F HN 0.643 nan 8.300 nan 0.000 0.592 438 D N 5.252 125.093 120.400 -0.931 0.000 2.358 438 D HA 0.066 4.723 4.640 0.028 0.000 0.253 438 D C 0.478 176.244 176.300 -0.890 0.000 1.288 438 D CA -0.443 53.110 54.000 -0.746 0.000 0.950 438 D CB 0.400 40.957 40.800 -0.405 0.000 1.197 438 D HN 0.786 nan 8.370 nan 0.000 0.550 439 N N 1.959 120.023 118.700 -1.061 0.000 2.588 439 N HA -0.165 4.592 4.740 0.028 0.000 0.190 439 N C 0.508 175.856 175.510 -0.270 0.000 1.094 439 N CA 0.684 53.363 53.050 -0.618 0.000 0.921 439 N CB 0.298 38.625 38.487 -0.267 0.000 0.959 439 N HN -0.025 nan 8.380 nan 0.000 0.448 440 K N 0.137 120.400 120.400 -0.229 0.000 2.676 440 K HA 0.240 4.577 4.320 0.028 0.000 0.205 440 K C -0.678 175.886 176.600 -0.060 0.000 1.084 440 K CA -0.117 56.109 56.287 -0.103 0.000 1.057 440 K CB 0.761 33.224 32.500 -0.061 0.000 0.791 440 K HN 0.214 nan 8.250 nan 0.000 0.484 441 R N 1.542 121.989 120.500 -0.089 0.000 2.549 441 R HA 0.221 4.578 4.340 0.028 0.000 0.291 441 R C -2.918 173.401 176.300 0.032 0.000 1.164 441 R CA -1.524 54.567 56.100 -0.016 0.000 0.973 441 R CB 1.622 31.888 30.300 -0.057 0.000 1.210 441 R HN -0.153 nan 8.270 nan 0.000 0.422 442 P HA -0.112 nan 4.420 nan 0.000 0.263 442 P C 1.196 178.611 177.300 0.192 0.000 1.168 442 P CA -0.095 63.095 63.100 0.151 0.000 0.759 442 P CB 0.359 32.162 31.700 0.172 0.000 0.782 443 C N 2.901 122.363 119.300 0.270 0.000 2.401 443 C HA -0.152 4.325 4.460 0.028 0.000 0.276 443 C C 1.993 177.186 174.990 0.338 0.000 1.233 443 C CA 0.944 60.221 59.018 0.431 0.000 1.753 443 C CB -1.630 26.331 27.740 0.368 0.000 2.029 443 C HN 0.404 nan 8.230 nan 0.000 0.478 444 M N 1.234 120.928 119.600 0.157 0.000 2.618 444 M HA 0.242 4.739 4.480 0.028 0.000 0.240 444 M C 0.402 176.761 176.300 0.099 0.000 1.123 444 M CA 0.300 55.654 55.300 0.090 0.000 1.060 444 M CB -0.656 31.941 32.600 -0.005 0.000 1.535 444 M HN 0.261 nan 8.290 nan 0.000 0.507 445 V N 2.726 122.717 119.914 0.128 0.000 2.304 445 V HA 0.365 4.502 4.120 0.028 0.000 0.269 445 V C 0.327 176.474 176.094 0.088 0.000 1.036 445 V CA -0.378 61.974 62.300 0.087 0.000 0.840 445 V CB 0.425 32.290 31.823 0.070 0.000 1.036 445 V HN 0.279 nan 8.190 nan 0.000 0.466 446 R N 0.000 120.547 120.500 0.078 0.000 2.786 446 R HA 0.000 4.357 4.340 0.028 0.000 0.208 446 R CA 0.000 56.138 56.100 0.062 0.000 0.921 446 R CB 0.000 30.365 30.300 0.108 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535