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 1mab_1_B DATA FIRST_RESID 1 DATA SEQUENCE SAAPKAGTAT GQIVAVIGAV VDVQFDEGLP PILNALEVQG RESRLVLEVA DATA SEQUENCE QHLGESTVRT IAMDGTEGLV RGQKVLDSGA PIKIPVGPET LGRIMNVIGE DATA SEQUENCE PIDERGPIKT KQFAPIHAEA PEFIEMSVEQ EILVTGIKVV DLLAPYAKGG DATA SEQUENCE KIGLFGGAGV GKTVLIMELI NNVAKAHGGY SVFAGVGERT REGNDLYHEM DATA SEQUENCE IESGVINLKD ATSKVALVYG QMNEPPGARA RVALTGLTVA EYFRDQEGQD DATA SEQUENCE VLLFIDNIFR FTQAGSEVSA LLGRIPSAVG YQPTLATDMG TMQERITTTK DATA SEQUENCE KGSITSVQAI YVPADDLTDP APATTFAHLD ATTVLSRAIA ELGIYPAVDP DATA SEQUENCE LDSTSRIMDP NIVGSEHYDV ARGVQKILQD YKSLQDIIAI LGMDELSEED DATA SEQUENCE KLTVSRARKI QRFLSQPFQV AEVFTGHMGK LVPLKETIKG FQQILAGDYD DATA SEQUENCE HLPEQAFYMV GPIEEAVAKA DKLAEEH 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.614 174.600 0.024 0.000 1.055 1 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1 S CB 0.000 63.217 63.200 0.028 0.000 0.593 2 A N 0.259 123.090 122.820 0.017 0.000 1.977 2 A HA 0.482 4.803 4.320 0.000 0.000 0.256 2 A C 0.317 177.908 177.584 0.012 0.000 1.365 2 A CA 1.192 53.235 52.037 0.010 0.000 0.721 2 A CB -1.758 17.240 19.000 -0.004 0.000 1.192 2 A HN 2.488 nan 8.150 nan 0.000 0.289 3 A N 3.577 126.407 122.820 0.016 0.000 2.513 3 A HA 0.861 5.181 4.320 0.000 0.000 0.296 3 A C -1.402 176.195 177.584 0.021 0.000 1.052 3 A CA -0.281 51.767 52.037 0.019 0.000 0.714 3 A CB 0.890 19.901 19.000 0.018 0.000 1.279 3 A HN 1.153 nan 8.150 nan 0.000 0.397 4 P HA 0.520 nan 4.420 nan 0.000 0.323 4 P C -0.448 176.868 177.300 0.028 0.000 1.309 4 P CA -0.290 62.828 63.100 0.031 0.000 0.739 4 P CB 0.539 32.268 31.700 0.048 0.000 1.454 5 K N -1.312 119.107 120.400 0.031 0.000 2.179 5 K HA 0.506 4.826 4.320 0.000 0.000 0.238 5 K C 0.483 177.100 176.600 0.028 0.000 1.033 5 K CA -0.610 55.694 56.287 0.027 0.000 0.926 5 K CB 0.135 32.652 32.500 0.028 0.000 1.151 5 K HN 0.389 nan 8.250 nan 0.000 0.492 6 A N 0.954 123.788 122.820 0.024 0.000 2.916 6 A HA 0.319 4.639 4.320 0.000 0.000 0.254 6 A C 0.151 177.750 177.584 0.024 0.000 1.544 6 A CA 0.257 52.307 52.037 0.022 0.000 1.224 6 A CB -1.119 17.891 19.000 0.017 0.000 1.012 6 A HN 0.647 nan 8.150 nan 0.000 0.636 7 G N -0.778 108.042 108.800 0.032 0.000 2.698 7 G HA2 0.477 4.437 3.960 0.000 0.000 0.293 7 G HA3 0.477 4.437 3.960 0.000 0.000 0.293 7 G C -0.299 174.631 174.900 0.050 0.000 1.437 7 G CA 0.011 45.133 45.100 0.036 0.000 0.852 7 G HN 0.580 nan 8.290 nan 0.000 0.499 8 T N -0.932 113.650 114.554 0.047 0.000 2.800 8 T HA 0.370 4.720 4.350 0.000 0.000 0.283 8 T C 1.018 175.793 174.700 0.124 0.000 0.999 8 T CA 0.578 62.710 62.100 0.053 0.000 1.176 8 T CB 1.288 70.164 68.868 0.014 0.000 0.973 8 T HN 1.524 nan 8.240 nan 0.000 0.519 9 A N 3.481 126.387 122.820 0.144 0.000 2.708 9 A HA 0.454 4.775 4.320 0.000 0.000 0.293 9 A C 0.797 178.557 177.584 0.293 0.000 1.303 9 A CA -0.730 51.486 52.037 0.299 0.000 0.949 9 A CB -0.018 19.096 19.000 0.191 0.000 1.121 9 A HN 0.821 nan 8.150 nan 0.000 0.542 10 T N 0.127 114.666 114.554 -0.023 0.000 2.794 10 T HA 0.608 4.958 4.350 0.000 0.000 0.280 10 T C 0.175 174.350 174.700 -0.875 0.000 0.987 10 T CA -0.173 61.733 62.100 -0.322 0.000 0.993 10 T CB 1.760 70.522 68.868 -0.177 0.000 0.939 10 T HN 0.440 nan 8.240 nan 0.000 0.449 11 G N 1.933 109.921 108.800 -1.354 0.000 2.542 11 G HA2 0.576 4.536 3.960 0.000 0.000 0.311 11 G HA3 0.576 4.536 3.960 0.000 0.000 0.311 11 G C -1.011 173.570 174.900 -0.532 0.000 1.298 11 G CA -1.080 43.203 45.100 -1.362 0.000 0.973 11 G HN 0.716 nan 8.290 nan 0.000 0.487 12 Q N 1.779 121.399 119.800 -0.300 0.000 2.360 12 Q HA 0.504 4.844 4.340 0.000 0.000 0.254 12 Q C -0.069 175.874 176.000 -0.095 0.000 0.975 12 Q CA -0.723 54.984 55.803 -0.159 0.000 0.912 12 Q CB 1.702 30.372 28.738 -0.113 0.000 1.212 12 Q HN 0.473 nan 8.270 nan 0.000 0.452 13 I N 3.814 124.342 120.570 -0.070 0.000 3.045 13 I HA -0.199 3.971 4.170 0.000 0.000 0.306 13 I C 0.850 176.953 176.117 -0.024 0.000 1.232 13 I CA 0.269 61.550 61.300 -0.031 0.000 1.415 13 I CB 0.413 38.399 38.000 -0.024 0.000 1.364 13 I HN 0.773 nan 8.210 nan 0.000 0.538 14 V N 3.497 123.404 119.914 -0.012 0.000 3.565 14 V HA 0.493 4.614 4.120 0.000 0.000 0.260 14 V C 0.695 176.786 176.094 -0.005 0.000 1.231 14 V CA 0.565 62.859 62.300 -0.009 0.000 1.100 14 V CB -0.055 31.766 31.823 -0.003 0.000 0.807 14 V HN 0.786 nan 8.190 nan 0.000 0.454 15 A N 0.063 122.881 122.820 -0.003 0.000 2.500 15 A HA 0.719 5.040 4.320 0.000 0.000 0.291 15 A C -1.143 176.440 177.584 -0.001 0.000 1.048 15 A CA -0.312 51.724 52.037 -0.002 0.000 0.791 15 A CB 1.606 20.605 19.000 -0.001 0.000 1.309 15 A HN 0.228 nan 8.150 nan 0.000 0.397 16 V N 2.642 122.555 119.914 -0.002 0.000 2.513 16 V HA 0.701 4.821 4.120 0.000 0.000 0.299 16 V C -0.461 175.632 176.094 -0.002 0.000 1.035 16 V CA -0.336 61.963 62.300 -0.002 0.000 0.889 16 V CB 1.550 33.371 31.823 -0.002 0.000 0.988 16 V HN 0.724 nan 8.190 nan 0.000 0.440 17 I N 3.786 124.354 120.570 -0.002 0.000 2.586 17 I HA 0.571 4.741 4.170 0.000 0.000 0.281 17 I C 0.753 176.867 176.117 -0.004 0.000 1.145 17 I CA 0.228 61.526 61.300 -0.003 0.000 1.073 17 I CB 1.492 39.490 38.000 -0.003 0.000 1.238 17 I HN 0.887 nan 8.210 nan 0.000 0.461 18 G N 4.327 113.125 108.800 -0.004 0.000 2.634 18 G HA2 -0.335 3.625 3.960 0.000 0.000 0.309 18 G HA3 -0.335 3.625 3.960 0.000 0.000 0.309 18 G C 0.884 175.781 174.900 -0.005 0.000 1.265 18 G CA 0.485 45.582 45.100 -0.005 0.000 0.998 18 G HN 1.027 nan 8.290 nan 0.000 0.551 19 A N -0.650 122.166 122.820 -0.008 0.000 2.265 19 A HA 0.539 4.859 4.320 0.000 0.000 0.213 19 A C 0.504 178.084 177.584 -0.006 0.000 1.255 19 A CA 1.464 53.496 52.037 -0.008 0.000 0.862 19 A CB -0.325 18.667 19.000 -0.014 0.000 0.852 19 A HN 1.530 nan 8.150 nan 0.000 0.484 20 V N 0.017 119.928 119.914 -0.005 0.000 2.623 20 V HA 0.370 4.490 4.120 0.000 0.000 0.304 20 V C -0.912 175.182 176.094 0.000 0.000 1.054 20 V CA -0.541 61.757 62.300 -0.003 0.000 0.882 20 V CB 1.987 33.806 31.823 -0.006 0.000 1.002 20 V HN -0.008 nan 8.190 nan 0.000 0.424 21 V N 3.391 123.308 119.914 0.005 0.000 2.357 21 V HA 0.362 4.482 4.120 0.000 0.000 0.281 21 V C -0.518 175.584 176.094 0.013 0.000 1.015 21 V CA -0.727 61.578 62.300 0.008 0.000 0.827 21 V CB 1.466 33.296 31.823 0.012 0.000 1.018 21 V HN 0.917 nan 8.190 nan 0.000 0.432 22 D N 3.136 123.542 120.400 0.009 0.000 2.389 22 D HA 0.488 5.129 4.640 0.000 0.000 0.247 22 D C -0.162 176.154 176.300 0.027 0.000 1.128 22 D CA 0.284 54.291 54.000 0.012 0.000 0.884 22 D CB 1.611 42.414 40.800 0.005 0.000 1.194 22 D HN 0.357 nan 8.370 nan 0.000 0.441 23 V N 1.720 121.667 119.914 0.056 0.000 3.001 23 V HA 0.527 4.647 4.120 0.000 0.000 0.314 23 V C -0.563 175.619 176.094 0.148 0.000 1.099 23 V CA -0.936 61.426 62.300 0.104 0.000 0.989 23 V CB 2.053 34.006 31.823 0.216 0.000 1.040 23 V HN 0.413 nan 8.190 nan 0.000 0.434 24 Q N 1.880 121.757 119.800 0.128 0.000 2.337 24 Q HA 0.442 4.782 4.340 0.000 0.000 0.260 24 Q C -2.276 173.812 176.000 0.146 0.000 0.982 24 Q CA -0.337 55.552 55.803 0.143 0.000 0.734 24 Q CB 1.455 30.219 28.738 0.042 0.000 1.272 24 Q HN 0.596 nan 8.270 nan 0.000 0.461 25 F N 2.528 122.457 119.950 -0.035 0.000 2.408 25 F HA 0.265 4.793 4.527 0.000 0.000 0.344 25 F C 0.966 176.759 175.800 -0.012 0.000 1.112 25 F CA -0.613 57.374 58.000 -0.021 0.000 1.096 25 F CB 1.395 40.383 39.000 -0.020 0.000 1.129 25 F HN 0.489 nan 8.300 nan 0.000 0.486 26 D N 0.304 120.781 120.400 0.128 0.000 2.327 26 D HA 0.002 4.643 4.640 0.000 0.000 0.205 26 D C 0.584 176.932 176.300 0.081 0.000 0.989 26 D CA 0.826 54.873 54.000 0.079 0.000 0.873 26 D CB 0.346 41.163 40.800 0.029 0.000 0.955 26 D HN 0.456 nan 8.370 nan 0.000 0.515 27 E N -0.204 120.059 120.200 0.104 0.000 3.191 27 E HA 0.376 4.726 4.350 0.000 0.000 0.192 27 E C 0.049 176.712 176.600 0.106 0.000 0.972 27 E CA -0.198 56.252 56.400 0.083 0.000 1.266 27 E CB 1.398 31.131 29.700 0.055 0.000 1.076 27 E HN 0.130 nan 8.360 nan 0.000 0.462 28 G N 1.537 110.425 108.800 0.147 0.000 4.357 28 G HA2 0.026 3.986 3.960 0.000 0.000 0.234 28 G HA3 0.026 3.986 3.960 0.000 0.000 0.234 28 G C -0.298 174.624 174.900 0.036 0.000 3.600 28 G CA -0.631 44.540 45.100 0.119 0.000 0.615 28 G HN 0.018 nan 8.290 nan 0.000 0.209 29 L N 2.692 123.913 121.223 -0.003 0.000 2.745 29 L HA 0.147 4.487 4.340 0.000 0.000 0.273 29 L C -1.473 175.303 176.870 -0.157 0.000 1.156 29 L CA -0.178 54.582 54.840 -0.134 0.000 0.982 29 L CB -0.044 42.018 42.059 0.005 0.000 1.295 29 L HN 0.250 nan 8.230 nan 0.000 0.483 30 P HA 0.206 nan 4.420 nan 0.000 0.275 30 P C -2.480 174.797 177.300 -0.040 0.000 1.276 30 P CA -1.571 61.357 63.100 -0.286 0.000 0.782 30 P CB 0.403 31.774 31.700 -0.548 0.000 0.851 31 P HA -0.089 nan 4.420 nan 0.000 0.271 31 P C 0.779 178.172 177.300 0.156 0.000 1.197 31 P CA 0.503 63.667 63.100 0.108 0.000 0.777 31 P CB 0.298 31.988 31.700 -0.016 0.000 0.827 32 I N 3.239 123.864 120.570 0.091 0.000 2.872 32 I HA -0.120 4.050 4.170 0.000 0.000 0.291 32 I C 1.913 178.037 176.117 0.011 0.000 1.216 32 I CA 0.810 62.150 61.300 0.068 0.000 1.424 32 I CB -0.560 37.441 38.000 0.002 0.000 1.351 32 I HN 0.601 nan 8.210 nan 0.000 0.592 33 L N 1.358 122.587 121.223 0.010 0.000 4.342 33 L HA -0.259 4.081 4.340 0.000 0.000 0.395 33 L C 0.410 177.335 176.870 0.091 0.000 0.764 33 L CA 0.525 55.376 54.840 0.019 0.000 2.417 33 L CB -1.321 40.683 42.059 -0.092 0.000 1.210 33 L HN 0.656 nan 8.230 nan 0.000 0.626 34 N N 1.573 120.304 118.700 0.051 0.000 2.454 34 N HA 0.404 5.145 4.740 0.000 0.000 0.260 34 N C 0.321 175.856 175.510 0.041 0.000 1.218 34 N CA 1.000 54.074 53.050 0.040 0.000 0.904 34 N CB 0.958 39.449 38.487 0.007 0.000 1.065 34 N HN 0.315 nan 8.380 nan 0.000 0.462 35 A N 3.436 126.279 122.820 0.039 0.000 2.409 35 A HA 0.374 4.694 4.320 0.000 0.000 0.267 35 A C 0.133 177.733 177.584 0.026 0.000 1.127 35 A CA -0.210 51.844 52.037 0.028 0.000 0.795 35 A CB -0.045 18.959 19.000 0.007 0.000 1.061 35 A HN 0.670 nan 8.150 nan 0.000 0.502 36 L N 1.657 122.902 121.223 0.036 0.000 2.313 36 L HA 0.527 4.867 4.340 0.000 0.000 0.268 36 L C -0.166 176.729 176.870 0.042 0.000 1.010 36 L CA -0.787 54.088 54.840 0.059 0.000 0.814 36 L CB 1.617 43.735 42.059 0.099 0.000 1.304 36 L HN 0.590 nan 8.230 nan 0.000 0.441 37 E N 1.698 121.927 120.200 0.048 0.000 2.186 37 E HA 0.253 4.603 4.350 0.000 0.000 0.255 37 E C -1.028 175.582 176.600 0.017 0.000 0.881 37 E CA -0.512 55.901 56.400 0.022 0.000 0.752 37 E CB 1.999 31.705 29.700 0.011 0.000 1.176 37 E HN 0.128 nan 8.360 nan 0.000 0.421 38 V N 4.708 124.628 119.914 0.009 0.000 2.479 38 V HA -0.051 4.069 4.120 0.000 0.000 0.281 38 V C 0.993 177.081 176.094 -0.009 0.000 1.031 38 V CA -0.023 62.276 62.300 -0.001 0.000 1.038 38 V CB 0.452 32.275 31.823 -0.000 0.000 0.981 38 V HN 0.476 nan 8.190 nan 0.000 0.478 39 Q N 3.394 123.183 119.800 -0.018 0.000 2.286 39 Q HA 0.300 4.641 4.340 0.000 0.000 0.169 39 Q C 1.823 177.812 176.000 -0.018 0.000 1.082 39 Q CA 0.359 56.151 55.803 -0.019 0.000 1.101 39 Q CB -0.250 28.471 28.738 -0.029 0.000 1.877 39 Q HN 1.005 nan 8.270 nan 0.000 0.561 40 G N 0.190 108.979 108.800 -0.018 0.000 2.249 40 G HA2 -0.344 3.616 3.960 0.000 0.000 0.273 40 G HA3 -0.344 3.616 3.960 0.000 0.000 0.273 40 G C 0.508 175.401 174.900 -0.012 0.000 0.995 40 G CA 1.446 46.536 45.100 -0.016 0.000 0.671 40 G HN 0.308 nan 8.290 nan 0.000 0.539 41 R N 0.208 120.702 120.500 -0.010 0.000 2.649 41 R HA 0.529 4.869 4.340 0.000 0.000 0.270 41 R C 0.877 177.174 176.300 -0.006 0.000 1.105 41 R CA -0.203 55.893 56.100 -0.007 0.000 1.193 41 R CB 0.285 30.581 30.300 -0.006 0.000 1.120 41 R HN 0.099 nan 8.270 nan 0.000 0.561 42 E N 0.145 120.342 120.200 -0.004 0.000 2.869 42 E HA 0.208 4.558 4.350 0.000 0.000 0.207 42 E C -0.738 175.861 176.600 -0.002 0.000 0.986 42 E CA -0.027 56.371 56.400 -0.003 0.000 1.131 42 E CB 0.463 30.161 29.700 -0.003 0.000 1.098 42 E HN 0.528 nan 8.360 nan 0.000 0.459 43 S N 0.009 115.708 115.700 -0.003 0.000 2.862 43 S HA 0.289 4.759 4.470 0.000 0.000 0.287 43 S C -1.681 172.917 174.600 -0.003 0.000 1.239 43 S CA -0.702 57.496 58.200 -0.002 0.000 1.307 43 S CB 0.465 63.665 63.200 -0.001 0.000 1.317 43 S HN 0.087 nan 8.310 nan 0.000 0.423 44 R N 1.240 121.738 120.500 -0.003 0.000 2.275 44 R HA 0.698 5.038 4.340 0.000 0.000 0.326 44 R C -1.583 174.716 176.300 -0.002 0.000 0.973 44 R CA -0.384 55.714 56.100 -0.004 0.000 0.854 44 R CB 0.978 31.275 30.300 -0.006 0.000 1.156 44 R HN 0.469 nan 8.270 nan 0.000 0.487 45 L N 5.758 126.981 121.223 -0.001 0.000 2.408 45 L HA 0.455 4.795 4.340 0.000 0.000 0.257 45 L C -1.411 175.462 176.870 0.006 0.000 1.053 45 L CA -0.552 54.289 54.840 0.002 0.000 0.922 45 L CB 1.498 43.559 42.059 0.002 0.000 1.261 45 L HN 0.379 nan 8.230 nan 0.000 0.458 46 V N 5.588 125.505 119.914 0.006 0.000 2.432 46 V HA 0.344 4.464 4.120 0.000 0.000 0.275 46 V C 0.068 176.172 176.094 0.018 0.000 1.043 46 V CA -0.305 62.001 62.300 0.010 0.000 0.925 46 V CB 1.389 33.212 31.823 0.001 0.000 0.985 46 V HN 0.474 nan 8.190 nan 0.000 0.466 47 L N 4.868 126.107 121.223 0.027 0.000 2.294 47 L HA 0.511 4.851 4.340 0.000 0.000 0.283 47 L C 0.260 177.152 176.870 0.036 0.000 1.015 47 L CA -0.213 54.645 54.840 0.031 0.000 0.831 47 L CB 1.306 43.387 42.059 0.036 0.000 1.217 47 L HN 0.594 nan 8.230 nan 0.000 0.420 48 E N 2.648 122.871 120.200 0.038 0.000 2.217 48 E HA 0.219 4.569 4.350 0.000 0.000 0.279 48 E C -0.417 176.206 176.600 0.038 0.000 1.068 48 E CA -0.550 55.880 56.400 0.050 0.000 0.882 48 E CB 1.077 30.823 29.700 0.076 0.000 1.039 48 E HN 0.344 nan 8.360 nan 0.000 0.418 49 V N 3.883 123.813 119.914 0.027 0.000 2.901 49 V HA 0.064 4.184 4.120 0.000 0.000 0.307 49 V C 0.892 176.999 176.094 0.021 0.000 1.084 49 V CA 1.392 63.694 62.300 0.004 0.000 1.184 49 V CB 1.190 32.999 31.823 -0.023 0.000 0.941 49 V HN 0.950 nan 8.190 nan 0.000 0.493 50 A N 3.624 126.452 122.820 0.014 0.000 2.027 50 A HA 0.386 4.706 4.320 0.000 0.000 0.196 50 A C 0.477 178.085 177.584 0.040 0.000 1.573 50 A CA 0.003 52.052 52.037 0.021 0.000 1.097 50 A CB 0.520 19.525 19.000 0.009 0.000 1.196 50 A HN 0.753 nan 8.150 nan 0.000 0.462 51 Q N -1.233 118.592 119.800 0.041 0.000 2.511 51 Q HA 0.417 4.757 4.340 0.000 0.000 0.289 51 Q C -1.322 174.713 176.000 0.058 0.000 1.021 51 Q CA -0.685 55.162 55.803 0.074 0.000 0.785 51 Q CB 1.610 30.366 28.738 0.030 0.000 1.472 51 Q HN 0.482 nan 8.270 nan 0.000 0.411 52 H N 1.696 120.750 119.070 -0.027 0.000 2.502 52 H HA 0.209 4.766 4.556 0.000 0.000 0.268 52 H C 0.829 176.148 175.328 -0.015 0.000 1.177 52 H CA 0.057 56.087 56.048 -0.028 0.000 0.961 52 H CB 0.316 30.056 29.762 -0.037 0.000 1.737 52 H HN 0.574 nan 8.280 nan 0.000 0.569 53 L N 0.109 121.342 121.223 0.017 0.000 2.502 53 L HA -0.343 3.997 4.340 0.000 0.000 0.218 53 L C 1.380 178.261 176.870 0.017 0.000 1.102 53 L CA 1.437 56.283 54.840 0.011 0.000 0.797 53 L CB -0.892 41.162 42.059 -0.009 0.000 0.887 53 L HN 0.628 nan 8.230 nan 0.000 0.444 54 G N -1.373 107.440 108.800 0.023 0.000 2.631 54 G HA2 -0.171 3.789 3.960 0.000 0.000 0.504 54 G HA3 -0.171 3.789 3.960 0.000 0.000 0.504 54 G C 0.030 174.940 174.900 0.018 0.000 1.306 54 G CA -0.355 44.761 45.100 0.027 0.000 0.897 54 G HN 0.196 nan 8.290 nan 0.000 0.520 55 E N -1.157 119.055 120.200 0.020 0.000 2.403 55 E HA -0.248 4.102 4.350 0.000 0.000 0.241 55 E C 0.821 177.435 176.600 0.024 0.000 1.201 55 E CA 1.605 58.017 56.400 0.019 0.000 0.721 55 E CB -1.817 27.891 29.700 0.014 0.000 1.245 55 E HN 1.977 nan 8.360 nan 0.000 0.392 56 S N -0.902 114.815 115.700 0.029 0.000 3.405 56 S HA -0.197 4.273 4.470 0.000 0.000 0.373 56 S C 0.003 174.628 174.600 0.041 0.000 0.939 56 S CA 1.435 59.659 58.200 0.040 0.000 1.295 56 S CB -0.695 62.538 63.200 0.055 0.000 0.919 56 S HN 0.385 nan 8.310 nan 0.000 0.535 57 T N 0.683 115.235 114.554 -0.004 0.000 3.172 57 T HA 0.520 4.870 4.350 0.000 0.000 0.320 57 T C 0.571 175.201 174.700 -0.117 0.000 1.085 57 T CA -0.366 61.728 62.100 -0.010 0.000 1.052 57 T CB 1.646 70.517 68.868 0.006 0.000 1.107 57 T HN 0.353 nan 8.240 nan 0.000 0.458 58 V N 1.392 121.211 119.914 -0.159 0.000 3.871 58 V HA 0.896 5.016 4.120 0.000 0.000 0.274 58 V C 0.033 176.058 176.094 -0.115 0.000 1.104 58 V CA -0.898 61.228 62.300 -0.290 0.000 0.852 58 V CB 0.624 32.220 31.823 -0.378 0.000 1.222 58 V HN 0.859 nan 8.190 nan 0.000 0.420 59 R N 0.708 121.154 120.500 -0.090 0.000 2.983 59 R HA 0.401 4.741 4.340 0.000 0.000 0.290 59 R C -0.753 175.536 176.300 -0.019 0.000 1.327 59 R CA 0.541 56.621 56.100 -0.033 0.000 1.062 59 R CB 0.508 30.793 30.300 -0.025 0.000 1.307 59 R HN 1.229 nan 8.270 nan 0.000 0.389 60 T N 1.257 115.810 114.554 -0.002 0.000 2.928 60 T HA 0.614 4.964 4.350 0.000 0.000 0.284 60 T C 0.406 175.112 174.700 0.011 0.000 1.008 60 T CA -0.767 61.339 62.100 0.009 0.000 1.057 60 T CB 0.990 69.872 68.868 0.024 0.000 1.018 60 T HN 0.424 nan 8.240 nan 0.000 0.493 61 I N 2.274 122.853 120.570 0.015 0.000 2.307 61 I HA 0.436 4.606 4.170 0.000 0.000 0.287 61 I C 0.919 177.045 176.117 0.016 0.000 1.054 61 I CA -0.838 60.469 61.300 0.011 0.000 1.218 61 I CB 0.559 38.567 38.000 0.013 0.000 1.398 61 I HN 0.898 nan 8.210 nan 0.000 0.475 62 A N 7.278 130.104 122.820 0.011 0.000 2.561 62 A HA 0.098 4.418 4.320 0.000 0.000 0.251 62 A C 1.287 178.878 177.584 0.012 0.000 1.062 62 A CA 0.091 52.136 52.037 0.012 0.000 0.761 62 A CB 0.134 19.139 19.000 0.008 0.000 0.986 62 A HN 0.720 nan 8.150 nan 0.000 0.510 63 M N 1.035 120.644 119.600 0.014 0.000 2.619 63 M HA 0.084 4.564 4.480 0.000 0.000 0.251 63 M C 0.350 176.657 176.300 0.012 0.000 1.106 63 M CA 0.963 56.272 55.300 0.014 0.000 1.086 63 M CB -1.389 31.219 32.600 0.013 0.000 1.465 63 M HN 0.918 nan 8.290 nan 0.000 0.506 64 D N -1.851 118.555 120.400 0.009 0.000 2.713 64 D HA 0.437 5.077 4.640 0.000 0.000 0.306 64 D C -0.320 175.983 176.300 0.006 0.000 1.299 64 D CA -0.245 53.760 54.000 0.009 0.000 0.823 64 D CB 0.552 41.356 40.800 0.008 0.000 1.353 64 D HN 0.092 nan 8.370 nan 0.000 0.447 65 G N -0.613 108.191 108.800 0.006 0.000 2.238 65 G HA2 0.183 4.143 3.960 0.000 0.000 0.234 65 G HA3 0.183 4.143 3.960 0.000 0.000 0.234 65 G C 0.566 175.468 174.900 0.003 0.000 1.181 65 G CA 0.728 45.830 45.100 0.004 0.000 0.871 65 G HN 0.414 nan 8.290 nan 0.000 0.490 66 T N 1.346 115.901 114.554 0.002 0.000 3.069 66 T HA 0.163 4.513 4.350 0.000 0.000 0.252 66 T C 0.722 175.421 174.700 -0.000 0.000 1.053 66 T CA -0.153 61.948 62.100 0.001 0.000 0.964 66 T CB 0.212 69.081 68.868 0.001 0.000 1.005 66 T HN 0.609 nan 8.240 nan 0.000 0.532 67 E N 1.439 121.639 120.200 0.000 0.000 2.739 67 E HA 0.253 4.603 4.350 0.000 0.000 0.278 67 E C 1.511 178.110 176.600 -0.002 0.000 0.978 67 E CA 1.373 57.773 56.400 -0.000 0.000 0.978 67 E CB -0.345 29.356 29.700 0.000 0.000 0.982 67 E HN 0.346 nan 8.360 nan 0.000 0.469 68 G N 2.094 110.892 108.800 -0.002 0.000 2.230 68 G HA2 -0.349 3.611 3.960 0.000 0.000 0.270 68 G HA3 -0.349 3.611 3.960 0.000 0.000 0.270 68 G C 0.376 175.273 174.900 -0.005 0.000 0.987 68 G CA 0.454 45.552 45.100 -0.003 0.000 0.664 68 G HN 0.410 nan 8.290 nan 0.000 0.539 69 L N -0.196 121.024 121.223 -0.004 0.000 2.499 69 L HA 0.298 4.639 4.340 0.000 0.000 0.281 69 L C 0.584 177.450 176.870 -0.008 0.000 1.234 69 L CA 0.394 55.230 54.840 -0.006 0.000 0.839 69 L CB 0.824 42.880 42.059 -0.004 0.000 1.104 69 L HN 0.012 nan 8.230 nan 0.000 0.500 70 V N 3.692 123.600 119.914 -0.011 0.000 2.638 70 V HA 0.272 4.393 4.120 0.000 0.000 0.306 70 V C 0.274 176.358 176.094 -0.016 0.000 1.052 70 V CA -0.841 61.451 62.300 -0.012 0.000 0.885 70 V CB 1.767 33.582 31.823 -0.013 0.000 0.999 70 V HN 0.661 nan 8.190 nan 0.000 0.424 71 R N 2.759 123.251 120.500 -0.014 0.000 2.710 71 R HA 0.301 4.641 4.340 0.000 0.000 0.301 71 R C 1.087 177.374 176.300 -0.022 0.000 1.331 71 R CA 1.195 57.285 56.100 -0.016 0.000 0.996 71 R CB -0.640 29.652 30.300 -0.012 0.000 1.075 71 R HN 1.143 nan 8.270 nan 0.000 0.500 72 G N 2.117 110.899 108.800 -0.029 0.000 3.254 72 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 72 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 72 G C -0.122 174.750 174.900 -0.047 0.000 0.964 72 G CA -0.686 44.391 45.100 -0.038 0.000 0.823 72 G HN 0.525 nan 8.290 nan 0.000 0.579 73 Q N 0.947 120.722 119.800 -0.041 0.000 2.315 73 Q HA 0.324 4.664 4.340 0.000 0.000 0.289 73 Q C -0.175 175.786 176.000 -0.065 0.000 1.044 73 Q CA 0.423 56.200 55.803 -0.043 0.000 0.920 73 Q CB 0.515 29.235 28.738 -0.031 0.000 1.214 73 Q HN 0.095 nan 8.270 nan 0.000 0.392 74 K N 1.368 121.726 120.400 -0.070 0.000 2.368 74 K HA 0.224 4.544 4.320 0.000 0.000 0.282 74 K C -0.908 175.639 176.600 -0.089 0.000 1.035 74 K CA -0.064 56.162 56.287 -0.101 0.000 0.973 74 K CB 0.983 33.429 32.500 -0.090 0.000 0.957 74 K HN 0.248 nan 8.250 nan 0.000 0.474 75 V N 4.617 124.451 119.914 -0.134 0.000 2.459 75 V HA 0.347 4.467 4.120 0.000 0.000 0.295 75 V C -0.806 175.256 176.094 -0.054 0.000 1.029 75 V CA -1.049 61.213 62.300 -0.063 0.000 0.874 75 V CB 1.621 33.434 31.823 -0.016 0.000 0.985 75 V HN 0.566 nan 8.190 nan 0.000 0.438 76 L N 4.445 125.684 121.223 0.026 0.000 2.289 76 L HA 0.565 4.905 4.340 0.000 0.000 0.285 76 L C -0.306 176.649 176.870 0.142 0.000 1.049 76 L CA 0.039 54.914 54.840 0.059 0.000 0.804 76 L CB 1.474 43.550 42.059 0.028 0.000 1.195 76 L HN 0.686 nan 8.230 nan 0.000 0.428 77 D N 1.771 122.292 120.400 0.203 0.000 2.359 77 D HA 0.211 4.851 4.640 0.000 0.000 0.230 77 D C 0.904 177.257 176.300 0.088 0.000 1.118 77 D CA 0.330 54.443 54.000 0.188 0.000 0.844 77 D CB 1.403 42.372 40.800 0.282 0.000 1.059 77 D HN 0.612 nan 8.370 nan 0.000 0.493 78 S N 3.059 118.788 115.700 0.048 0.000 2.336 78 S HA 0.170 4.640 4.470 0.000 0.000 0.216 78 S C 1.608 176.216 174.600 0.013 0.000 1.032 78 S CA 0.859 59.069 58.200 0.017 0.000 0.973 78 S CB -0.243 62.953 63.200 -0.006 0.000 0.888 78 S HN 0.986 nan 8.310 nan 0.000 0.455 79 G N 0.178 108.984 108.800 0.010 0.000 2.155 79 G HA2 0.414 4.374 3.960 0.000 0.000 0.130 79 G HA3 0.414 4.374 3.960 0.000 0.000 0.130 79 G C -0.049 174.856 174.900 0.007 0.000 1.027 79 G CA -0.275 44.829 45.100 0.008 0.000 0.705 79 G HN 1.556 nan 8.290 nan 0.000 0.496 80 A N -1.003 121.821 122.820 0.008 0.000 2.583 80 A HA 0.836 5.156 4.320 0.000 0.000 0.292 80 A C -3.089 174.510 177.584 0.025 0.000 1.045 80 A CA -0.687 51.360 52.037 0.016 0.000 0.672 80 A CB 0.803 19.808 19.000 0.009 0.000 1.283 80 A HN 0.092 nan 8.150 nan 0.000 0.419 81 P HA 0.158 nan 4.420 nan 0.000 0.271 81 P C -0.231 177.077 177.300 0.014 0.000 1.233 81 P CA 0.004 63.152 63.100 0.081 0.000 0.795 81 P CB 0.266 32.054 31.700 0.146 0.000 0.936 82 I N 1.388 121.955 120.570 -0.006 0.000 2.769 82 I HA -0.091 4.079 4.170 0.000 0.000 0.285 82 I C 1.047 177.126 176.117 -0.064 0.000 1.173 82 I CA 0.626 61.898 61.300 -0.045 0.000 1.389 82 I CB -0.463 37.504 38.000 -0.054 0.000 1.404 82 I HN 0.180 nan 8.210 nan 0.000 0.544 83 K N 8.619 128.979 120.400 -0.067 0.000 2.339 83 K HA 0.542 4.862 4.320 0.000 0.000 0.264 83 K C -0.465 176.121 176.600 -0.022 0.000 0.986 83 K CA -0.681 55.582 56.287 -0.040 0.000 0.866 83 K CB 1.798 34.287 32.500 -0.018 0.000 1.103 83 K HN 0.568 nan 8.250 nan 0.000 0.441 84 I N -0.510 120.077 120.570 0.028 0.000 2.577 84 I HA 0.388 4.558 4.170 0.000 0.000 0.300 84 I C -2.372 173.858 176.117 0.188 0.000 0.990 84 I CA -2.799 58.546 61.300 0.075 0.000 1.283 84 I CB 1.289 39.294 38.000 0.008 0.000 1.411 84 I HN 0.423 nan 8.210 nan 0.000 0.515 85 P HA 0.090 nan 4.420 nan 0.000 0.275 85 P C -0.434 176.765 177.300 -0.168 0.000 1.276 85 P CA -0.001 63.131 63.100 0.054 0.000 0.782 85 P CB 0.909 32.639 31.700 0.050 0.000 0.851 86 V N 1.960 121.679 119.914 -0.325 0.000 2.427 86 V HA 0.985 5.106 4.120 0.000 0.000 0.286 86 V C 0.469 175.967 176.094 -0.993 0.000 1.034 86 V CA -0.216 61.725 62.300 -0.599 0.000 0.893 86 V CB 0.859 32.335 31.823 -0.580 0.000 0.982 86 V HN 0.850 nan 8.190 nan 0.000 0.452 87 G N 4.249 112.546 108.800 -0.838 0.000 2.333 87 G HA2 0.376 4.336 3.960 0.000 0.000 0.288 87 G HA3 0.376 4.336 3.960 0.000 0.000 0.288 87 G C -2.795 172.202 174.900 0.161 0.000 1.286 87 G CA 0.172 44.972 45.100 -0.501 0.000 0.865 87 G HN 0.467 nan 8.290 nan 0.000 0.506 88 P HA 0.094 nan 4.420 nan 0.000 0.221 88 P C 0.680 178.069 177.300 0.149 0.000 1.155 88 P CA 0.848 64.160 63.100 0.354 0.000 0.812 88 P CB 0.219 32.096 31.700 0.295 0.000 0.801 89 E N 0.810 121.052 120.200 0.070 0.000 2.381 89 E HA -0.012 4.338 4.350 0.000 0.000 0.198 89 E C 0.702 177.301 176.600 -0.001 0.000 1.204 89 E CA 0.898 57.306 56.400 0.013 0.000 0.998 89 E CB -0.974 28.711 29.700 -0.026 0.000 1.080 89 E HN 0.416 nan 8.360 nan 0.000 0.481 90 T N -3.257 111.318 114.554 0.034 0.000 3.502 90 T HA 0.224 4.574 4.350 0.000 0.000 0.310 90 T C 0.202 174.942 174.700 0.066 0.000 0.902 90 T CA -0.412 61.704 62.100 0.027 0.000 0.964 90 T CB -0.341 68.523 68.868 -0.006 0.000 1.200 90 T HN -0.057 nan 8.240 nan 0.000 0.599 91 L N 1.311 122.567 121.223 0.056 0.000 2.421 91 L HA 0.710 5.050 4.340 0.000 0.000 0.263 91 L C 1.771 178.617 176.870 -0.040 0.000 1.122 91 L CA 1.002 55.835 54.840 -0.012 0.000 0.804 91 L CB 0.775 42.712 42.059 -0.204 0.000 1.150 91 L HN 0.405 nan 8.230 nan 0.000 0.457 92 G N 0.271 109.042 108.800 -0.050 0.000 2.507 92 G HA2 -0.256 3.704 3.960 0.000 0.000 0.240 92 G HA3 -0.256 3.704 3.960 0.000 0.000 0.240 92 G C 0.751 175.639 174.900 -0.019 0.000 1.119 92 G CA -0.094 44.989 45.100 -0.028 0.000 0.664 92 G HN 0.421 nan 8.290 nan 0.000 0.516 93 R N 0.380 120.866 120.500 -0.023 0.000 2.738 93 R HA 0.663 5.003 4.340 0.000 0.000 0.275 93 R C 0.450 176.694 176.300 -0.093 0.000 1.121 93 R CA -0.381 55.693 56.100 -0.043 0.000 1.207 93 R CB 0.047 30.336 30.300 -0.019 0.000 1.141 93 R HN 0.419 nan 8.270 nan 0.000 0.571 94 I N 1.496 121.983 120.570 -0.137 0.000 2.418 94 I HA 0.330 4.501 4.170 0.000 0.000 0.287 94 I C -0.086 175.996 176.117 -0.058 0.000 1.008 94 I CA -0.305 60.904 61.300 -0.152 0.000 1.104 94 I CB 1.648 39.426 38.000 -0.371 0.000 1.264 94 I HN 0.204 nan 8.210 nan 0.000 0.438 95 M N 6.427 126.036 119.600 0.014 0.000 2.436 95 M HA 0.376 4.857 4.480 0.000 0.000 0.331 95 M C -0.237 176.098 176.300 0.059 0.000 1.135 95 M CA -0.484 54.833 55.300 0.027 0.000 0.987 95 M CB 2.117 34.733 32.600 0.027 0.000 1.687 95 M HN 0.655 nan 8.290 nan 0.000 0.445 96 N N 0.936 119.660 118.700 0.041 0.000 2.448 96 N HA 0.297 5.037 4.740 0.000 0.000 0.274 96 N C -0.103 175.429 175.510 0.038 0.000 1.239 96 N CA -0.998 52.084 53.050 0.053 0.000 0.982 96 N CB 0.864 39.370 38.487 0.033 0.000 1.199 96 N HN 0.388 nan 8.380 nan 0.000 0.576 97 V N 0.481 120.416 119.914 0.036 0.000 3.311 97 V HA -0.060 4.060 4.120 0.000 0.000 0.280 97 V C 0.699 176.794 176.094 0.001 0.000 1.203 97 V CA 0.783 63.093 62.300 0.017 0.000 1.252 97 V CB -1.773 30.064 31.823 0.022 0.000 1.002 97 V HN 0.665 nan 8.190 nan 0.000 0.462 98 I N -0.716 119.853 120.570 -0.002 0.000 5.167 98 I HA 0.238 4.408 4.170 0.000 0.000 0.380 98 I C 1.422 177.532 176.117 -0.013 0.000 1.141 98 I CA 1.039 62.330 61.300 -0.015 0.000 1.534 98 I CB 0.476 38.467 38.000 -0.015 0.000 2.035 98 I HN 0.420 nan 8.210 nan 0.000 0.670 99 G N 2.062 110.865 108.800 0.006 0.000 2.168 99 G HA2 -0.160 3.800 3.960 0.000 0.000 0.197 99 G HA3 -0.160 3.800 3.960 0.000 0.000 0.197 99 G C 0.027 174.944 174.900 0.030 0.000 0.997 99 G CA -0.358 44.758 45.100 0.026 0.000 0.658 99 G HN 0.345 nan 8.290 nan 0.000 0.513 100 E N 1.119 121.329 120.200 0.015 0.000 2.338 100 E HA 0.316 4.666 4.350 0.000 0.000 0.272 100 E C -2.614 173.993 176.600 0.012 0.000 1.029 100 E CA -1.665 54.743 56.400 0.013 0.000 0.872 100 E CB 1.135 30.839 29.700 0.006 0.000 1.015 100 E HN 0.120 nan 8.360 nan 0.000 0.417 101 P HA 0.036 nan 4.420 nan 0.000 0.275 101 P C 0.405 177.697 177.300 -0.012 0.000 1.276 101 P CA 0.245 63.345 63.100 -0.000 0.000 0.782 101 P CB 0.115 31.819 31.700 0.005 0.000 0.851 102 I N 0.825 121.376 120.570 -0.031 0.000 3.783 102 I HA 0.078 4.248 4.170 0.000 0.000 0.310 102 I C 0.928 177.005 176.117 -0.067 0.000 1.274 102 I CA 0.287 61.560 61.300 -0.044 0.000 1.294 102 I CB -0.248 37.724 38.000 -0.046 0.000 1.051 102 I HN 0.115 nan 8.210 nan 0.000 0.435 103 D N 1.540 121.887 120.400 -0.089 0.000 2.363 103 D HA -0.163 4.477 4.640 0.000 0.000 0.226 103 D C 1.030 177.347 176.300 0.028 0.000 1.020 103 D CA 0.493 54.455 54.000 -0.064 0.000 0.892 103 D CB -0.113 40.594 40.800 -0.154 0.000 0.900 103 D HN 0.651 nan 8.370 nan 0.000 0.531 104 E N -0.765 119.439 120.200 0.008 0.000 4.005 104 E HA -0.286 4.064 4.350 0.000 0.000 0.349 104 E C 0.322 176.934 176.600 0.021 0.000 0.635 104 E CA 0.842 57.253 56.400 0.018 0.000 1.238 104 E CB -1.086 28.629 29.700 0.026 0.000 1.698 104 E HN 0.353 nan 8.360 nan 0.000 0.418 105 R N 0.710 121.225 120.500 0.026 0.000 2.526 105 R HA 0.231 4.571 4.340 0.000 0.000 0.223 105 R C 0.956 177.265 176.300 0.015 0.000 1.250 105 R CA 0.494 56.608 56.100 0.023 0.000 1.227 105 R CB 0.025 30.343 30.300 0.030 0.000 1.109 105 R HN 0.341 nan 8.270 nan 0.000 0.499 106 G N 1.393 110.201 108.800 0.013 0.000 2.782 106 G HA2 -0.240 3.720 3.960 0.000 0.000 0.228 106 G HA3 -0.240 3.720 3.960 0.000 0.000 0.228 106 G C -2.270 172.638 174.900 0.014 0.000 1.372 106 G CA -1.292 43.816 45.100 0.013 0.000 0.862 106 G HN 0.118 nan 8.290 nan 0.000 0.547 107 P HA 0.147 nan 4.420 nan 0.000 0.267 107 P C 0.242 177.554 177.300 0.020 0.000 1.175 107 P CA 0.398 63.513 63.100 0.025 0.000 0.763 107 P CB 0.230 31.945 31.700 0.026 0.000 0.795 108 I N 3.001 123.588 120.570 0.028 0.000 2.377 108 I HA 0.122 4.293 4.170 0.000 0.000 0.282 108 I C 0.517 176.634 176.117 0.000 0.000 1.091 108 I CA -0.434 60.874 61.300 0.013 0.000 1.207 108 I CB 0.176 38.188 38.000 0.020 0.000 1.429 108 I HN 0.122 nan 8.210 nan 0.000 0.491 109 K N 4.956 125.349 120.400 -0.011 0.000 2.382 109 K HA 0.195 4.515 4.320 0.000 0.000 0.286 109 K C 0.035 176.588 176.600 -0.078 0.000 1.062 109 K CA 0.105 56.376 56.287 -0.028 0.000 1.000 109 K CB 0.290 32.781 32.500 -0.015 0.000 0.954 109 K HN 0.528 nan 8.250 nan 0.000 0.470 110 T N -0.540 113.919 114.554 -0.158 0.000 2.903 110 T HA 0.282 4.633 4.350 0.000 0.000 0.299 110 T C 0.671 175.176 174.700 -0.324 0.000 1.093 110 T CA -1.229 60.715 62.100 -0.260 0.000 1.002 110 T CB 1.595 70.229 68.868 -0.389 0.000 1.127 110 T HN 0.228 nan 8.240 nan 0.000 0.488 111 K N 0.829 121.083 120.400 -0.244 0.000 2.209 111 K HA -0.001 4.319 4.320 0.000 0.000 0.204 111 K C 1.094 177.539 176.600 -0.259 0.000 1.048 111 K CA 1.238 57.418 56.287 -0.178 0.000 0.940 111 K CB -0.380 32.075 32.500 -0.075 0.000 0.729 111 K HN 0.885 nan 8.250 nan 0.000 0.451 112 Q N -0.895 118.626 119.800 -0.466 0.000 2.869 112 Q HA 0.331 4.672 4.340 0.000 0.000 0.322 112 Q C -1.468 174.044 176.000 -0.814 0.000 0.832 112 Q CA -0.792 54.706 55.803 -0.508 0.000 0.791 112 Q CB 0.591 29.270 28.738 -0.098 0.000 1.412 112 Q HN -0.049 nan 8.270 nan 0.000 0.483 113 F N -0.067 119.856 119.950 -0.045 0.000 2.574 113 F HA 0.848 5.375 4.527 0.000 0.000 0.313 113 F C -0.131 175.641 175.800 -0.045 0.000 1.130 113 F CA -0.741 57.215 58.000 -0.072 0.000 0.936 113 F CB 1.955 40.922 39.000 -0.055 0.000 1.219 113 F HN 0.781 nan 8.300 nan 0.000 0.445 114 A N 2.444 125.329 122.820 0.108 0.000 2.316 114 A HA 0.853 5.173 4.320 0.000 0.000 0.284 114 A C -2.561 175.057 177.584 0.057 0.000 1.115 114 A CA -1.394 50.691 52.037 0.080 0.000 0.812 114 A CB -0.010 19.021 19.000 0.053 0.000 1.064 114 A HN 0.730 nan 8.150 nan 0.000 0.489 115 P HA 0.347 nan 4.420 nan 0.000 0.275 115 P C 0.681 177.969 177.300 -0.020 0.000 1.228 115 P CA 0.475 63.587 63.100 0.020 0.000 0.786 115 P CB 0.178 31.906 31.700 0.046 0.000 0.927 116 I N -2.597 117.914 120.570 -0.099 0.000 3.684 116 I HA 0.252 4.422 4.170 0.000 0.000 0.304 116 I C 0.083 176.049 176.117 -0.251 0.000 1.278 116 I CA 0.473 61.656 61.300 -0.195 0.000 1.272 116 I CB -0.176 37.658 38.000 -0.276 0.000 1.029 116 I HN 0.244 nan 8.210 nan 0.000 0.458 117 H N 2.743 121.817 119.070 0.006 0.000 2.786 117 H HA 0.758 5.314 4.556 0.000 0.000 0.284 117 H C -0.675 174.659 175.328 0.010 0.000 1.104 117 H CA -0.715 55.338 56.048 0.009 0.000 1.339 117 H CB 1.441 31.213 29.762 0.017 0.000 1.427 117 H HN 0.373 nan 8.280 nan 0.000 0.497 118 A N 2.799 125.693 122.820 0.123 0.000 2.454 118 A HA 0.427 4.747 4.320 0.000 0.000 0.302 118 A C -0.094 177.525 177.584 0.057 0.000 1.079 118 A CA -0.870 51.211 52.037 0.074 0.000 0.731 118 A CB 1.575 20.604 19.000 0.049 0.000 1.299 118 A HN 0.421 nan 8.150 nan 0.000 0.413 119 E N 1.233 121.460 120.200 0.044 0.000 2.417 119 E HA 0.330 4.680 4.350 0.000 0.000 0.261 119 E C 0.775 177.395 176.600 0.033 0.000 1.000 119 E CA 0.403 56.824 56.400 0.036 0.000 0.919 119 E CB 1.027 30.744 29.700 0.029 0.000 0.955 119 E HN 0.746 nan 8.360 nan 0.000 0.455 120 A N 6.265 129.106 122.820 0.035 0.000 2.387 120 A HA 0.244 4.564 4.320 0.000 0.000 0.251 120 A C -1.832 175.770 177.584 0.030 0.000 1.113 120 A CA -0.909 51.147 52.037 0.031 0.000 0.794 120 A CB -0.542 18.480 19.000 0.037 0.000 1.069 120 A HN 0.438 nan 8.150 nan 0.000 0.506 121 P HA 0.128 nan 4.420 nan 0.000 0.267 121 P C -0.317 177.006 177.300 0.038 0.000 1.205 121 P CA 0.227 63.339 63.100 0.019 0.000 0.765 121 P CB 0.581 32.284 31.700 0.005 0.000 0.828 122 E N 1.221 121.448 120.200 0.045 0.000 2.816 122 E HA 0.049 4.400 4.350 0.000 0.000 0.260 122 E C 0.658 177.329 176.600 0.118 0.000 1.414 122 E CA -0.392 56.058 56.400 0.084 0.000 1.074 122 E CB 0.102 29.849 29.700 0.077 0.000 1.123 122 E HN 0.403 nan 8.360 nan 0.000 0.664 123 F N 0.826 120.778 119.950 0.002 0.000 2.367 123 F HA 0.001 4.528 4.527 0.000 0.000 0.298 123 F C 1.428 177.227 175.800 -0.001 0.000 1.094 123 F CA 0.564 58.565 58.000 0.001 0.000 1.409 123 F CB 0.297 39.297 39.000 0.000 0.000 1.064 123 F HN 0.284 nan 8.300 nan 0.000 0.528 124 I N -1.274 119.348 120.570 0.085 0.000 3.862 124 I HA 0.281 4.452 4.170 0.000 0.000 0.328 124 I C 0.792 176.886 176.117 -0.040 0.000 1.474 124 I CA 0.323 61.620 61.300 -0.005 0.000 1.215 124 I CB -0.519 37.519 38.000 0.062 0.000 1.183 124 I HN -0.060 nan 8.210 nan 0.000 0.413 125 E N 0.084 120.246 120.200 -0.063 0.000 2.364 125 E HA 0.294 4.644 4.350 0.000 0.000 0.203 125 E C 0.834 177.382 176.600 -0.087 0.000 0.888 125 E CA 0.257 56.626 56.400 -0.051 0.000 0.989 125 E CB 0.128 29.815 29.700 -0.022 0.000 0.985 125 E HN 0.249 nan 8.360 nan 0.000 0.499 126 M N 0.194 119.706 119.600 -0.146 0.000 2.206 126 M HA 0.088 4.568 4.480 0.000 0.000 0.288 126 M C 0.171 176.378 176.300 -0.156 0.000 1.126 126 M CA 0.400 55.596 55.300 -0.174 0.000 1.152 126 M CB 0.293 32.711 32.600 -0.303 0.000 1.383 126 M HN -0.090 nan 8.290 nan 0.000 0.437 127 S N -0.301 115.322 115.700 -0.128 0.000 2.689 127 S HA 0.476 4.947 4.470 0.000 0.000 0.274 127 S C 0.373 174.922 174.600 -0.085 0.000 1.176 127 S CA -0.916 57.225 58.200 -0.098 0.000 1.014 127 S CB 0.767 63.928 63.200 -0.065 0.000 1.071 127 S HN 0.405 nan 8.310 nan 0.000 0.478 128 V N 2.731 122.595 119.914 -0.083 0.000 2.626 128 V HA 0.010 4.130 4.120 0.000 0.000 0.252 128 V C 1.305 177.374 176.094 -0.041 0.000 1.067 128 V CA 1.235 63.498 62.300 -0.062 0.000 1.081 128 V CB -1.036 30.755 31.823 -0.054 0.000 0.686 128 V HN 0.883 nan 8.190 nan 0.000 0.468 129 E N 1.759 121.937 120.200 -0.038 0.000 2.734 129 E HA -0.114 4.236 4.350 0.000 0.000 0.235 129 E C 0.262 176.850 176.600 -0.019 0.000 1.107 129 E CA 0.539 56.923 56.400 -0.026 0.000 0.951 129 E CB -0.355 29.331 29.700 -0.023 0.000 0.955 129 E HN 0.560 nan 8.360 nan 0.000 0.515 130 Q N 3.689 123.480 119.800 -0.014 0.000 2.730 130 Q HA 0.109 4.449 4.340 0.000 0.000 0.244 130 Q C -0.708 175.293 176.000 0.002 0.000 1.176 130 Q CA -0.494 55.306 55.803 -0.006 0.000 1.024 130 Q CB 0.714 29.449 28.738 -0.006 0.000 1.215 130 Q HN 0.408 nan 8.270 nan 0.000 0.542 131 E N 1.839 122.042 120.200 0.005 0.000 2.290 131 E HA 0.102 4.452 4.350 0.000 0.000 0.277 131 E C -0.453 176.162 176.600 0.024 0.000 1.035 131 E CA -0.459 55.948 56.400 0.012 0.000 0.873 131 E CB 0.482 30.189 29.700 0.011 0.000 1.029 131 E HN 0.376 nan 8.360 nan 0.000 0.419 132 I N 4.261 124.848 120.570 0.028 0.000 3.094 132 I HA 0.125 4.295 4.170 0.000 0.000 0.291 132 I C -0.920 175.224 176.117 0.046 0.000 1.250 132 I CA 0.389 61.714 61.300 0.041 0.000 1.401 132 I CB 0.412 38.435 38.000 0.038 0.000 1.343 132 I HN 0.602 nan 8.210 nan 0.000 0.599 133 L N 7.210 128.467 121.223 0.057 0.000 2.676 133 L HA 0.407 4.747 4.340 0.000 0.000 0.262 133 L C -1.213 175.682 176.870 0.041 0.000 0.965 133 L CA -0.302 54.572 54.840 0.056 0.000 0.920 133 L CB 1.222 43.322 42.059 0.068 0.000 1.260 133 L HN 0.345 nan 8.230 nan 0.000 0.422 134 V N 3.399 123.323 119.914 0.016 0.000 2.614 134 V HA 0.289 4.409 4.120 0.000 0.000 0.291 134 V C 1.469 177.537 176.094 -0.044 0.000 1.049 134 V CA 0.653 62.941 62.300 -0.021 0.000 1.038 134 V CB 1.146 32.960 31.823 -0.015 0.000 0.980 134 V HN 0.902 nan 8.190 nan 0.000 0.481 135 T N -0.269 114.216 114.554 -0.116 0.000 2.990 135 T HA 0.241 4.591 4.350 0.000 0.000 0.250 135 T C 1.202 175.839 174.700 -0.105 0.000 1.041 135 T CA 0.530 62.550 62.100 -0.133 0.000 1.010 135 T CB 0.218 68.912 68.868 -0.290 0.000 1.003 135 T HN 1.644 nan 8.240 nan 0.000 0.499 136 G N 1.794 110.539 108.800 -0.093 0.000 2.351 136 G HA2 -0.149 3.811 3.960 0.000 0.000 0.297 136 G HA3 -0.149 3.811 3.960 0.000 0.000 0.297 136 G C -0.240 174.629 174.900 -0.052 0.000 1.054 136 G CA 0.199 45.264 45.100 -0.060 0.000 1.123 136 G HN 0.745 nan 8.290 nan 0.000 0.512 137 I N 0.070 120.602 120.570 -0.064 0.000 2.590 137 I HA 0.183 4.353 4.170 0.000 0.000 0.283 137 I C 1.148 177.261 176.117 -0.007 0.000 1.154 137 I CA -1.287 60.006 61.300 -0.012 0.000 1.067 137 I CB 1.411 39.390 38.000 -0.034 0.000 1.243 137 I HN -0.026 nan 8.210 nan 0.000 0.451 138 K N 2.757 123.174 120.400 0.028 0.000 2.471 138 K HA -0.216 4.104 4.320 0.000 0.000 0.228 138 K C 1.712 178.346 176.600 0.056 0.000 0.710 138 K CA 2.071 58.386 56.287 0.046 0.000 0.900 138 K CB -0.511 32.028 32.500 0.065 0.000 0.385 138 K HN 0.454 nan 8.250 nan 0.000 0.972 139 V N 0.990 120.954 119.914 0.084 0.000 2.219 139 V HA -0.256 3.864 4.120 0.000 0.000 0.248 139 V C 2.513 178.649 176.094 0.069 0.000 1.053 139 V CA 2.255 64.610 62.300 0.092 0.000 1.009 139 V CB -0.623 31.258 31.823 0.096 0.000 0.636 139 V HN 0.265 nan 8.190 nan 0.000 0.445 140 V N 0.346 120.290 119.914 0.049 0.000 2.794 140 V HA -0.299 3.821 4.120 0.000 0.000 0.260 140 V C 2.033 177.974 176.094 -0.255 0.000 1.103 140 V CA 2.482 64.773 62.300 -0.015 0.000 1.125 140 V CB -0.628 31.194 31.823 -0.003 0.000 0.702 140 V HN 0.739 nan 8.190 nan 0.000 0.494 141 D N -1.800 118.498 120.400 -0.169 0.000 2.716 141 D HA 0.028 4.668 4.640 0.000 0.000 0.273 141 D C 1.769 178.037 176.300 -0.054 0.000 1.024 141 D CA 0.474 54.352 54.000 -0.204 0.000 0.944 141 D CB 0.205 40.899 40.800 -0.177 0.000 1.186 141 D HN 0.272 nan 8.370 nan 0.000 0.485 142 L N 0.295 121.502 121.223 -0.027 0.000 2.062 142 L HA 0.078 4.418 4.340 0.000 0.000 0.202 142 L C 1.975 178.992 176.870 0.246 0.000 1.079 142 L CA 0.533 55.350 54.840 -0.038 0.000 0.755 142 L CB -0.440 41.528 42.059 -0.152 0.000 0.913 142 L HN 0.096 nan 8.230 nan 0.000 0.445 143 L N 1.161 122.495 121.223 0.185 0.000 1.908 143 L HA -0.102 4.238 4.340 0.000 0.000 0.227 143 L C 1.204 178.183 176.870 0.182 0.000 1.087 143 L CA 2.072 57.027 54.840 0.193 0.000 0.797 143 L CB -1.285 40.851 42.059 0.129 0.000 0.893 143 L HN 0.398 nan 8.230 nan 0.000 0.432 144 A N 2.415 125.331 122.820 0.161 0.000 2.621 144 A HA 0.438 4.758 4.320 0.000 0.000 0.329 144 A C -2.175 175.553 177.584 0.240 0.000 1.458 144 A CA -1.515 50.632 52.037 0.182 0.000 1.052 144 A CB -0.479 18.631 19.000 0.184 0.000 1.142 144 A HN 0.332 nan 8.150 nan 0.000 0.523 145 P HA 0.112 nan 4.420 nan 0.000 0.272 145 P C -0.679 176.905 177.300 0.474 0.000 1.254 145 P CA 0.351 63.593 63.100 0.237 0.000 0.795 145 P CB 0.693 32.501 31.700 0.180 0.000 1.022 146 Y N -0.836 119.480 120.300 0.027 0.000 3.012 146 Y HA 0.752 5.302 4.550 0.000 0.000 0.324 146 Y C 0.611 176.512 175.900 0.002 0.000 1.342 146 Y CA -1.366 56.735 58.100 0.002 0.000 1.076 146 Y CB 0.123 38.573 38.460 -0.016 0.000 1.372 146 Y HN 0.663 nan 8.280 nan 0.000 0.688 147 A N -0.124 122.792 122.820 0.160 0.000 2.549 147 A HA 0.495 4.815 4.320 0.000 0.000 0.297 147 A C -1.493 176.113 177.584 0.036 0.000 0.983 147 A CA -1.091 50.991 52.037 0.075 0.000 0.654 147 A CB 0.485 19.512 19.000 0.044 0.000 1.319 147 A HN 0.365 nan 8.150 nan 0.000 0.428 148 K N 0.445 120.861 120.400 0.027 0.000 2.380 148 K HA 0.458 4.778 4.320 0.000 0.000 0.267 148 K C 1.446 178.042 176.600 -0.007 0.000 0.990 148 K CA 1.423 57.719 56.287 0.014 0.000 0.946 148 K CB 0.130 32.643 32.500 0.021 0.000 0.937 148 K HN 2.213 nan 8.250 nan 0.000 0.491 149 G N 1.220 110.010 108.800 -0.017 0.000 2.256 149 G HA2 -0.295 3.665 3.960 0.000 0.000 0.279 149 G HA3 -0.295 3.665 3.960 0.000 0.000 0.279 149 G C 0.688 175.561 174.900 -0.046 0.000 0.998 149 G CA 0.780 45.862 45.100 -0.029 0.000 0.720 149 G HN 0.827 nan 8.290 nan 0.000 0.521 150 G N -0.975 107.790 108.800 -0.058 0.000 2.525 150 G HA2 0.534 4.494 3.960 0.000 0.000 0.276 150 G HA3 0.534 4.494 3.960 0.000 0.000 0.276 150 G C -0.016 174.809 174.900 -0.126 0.000 1.388 150 G CA -0.267 44.785 45.100 -0.080 0.000 1.050 150 G HN 0.455 nan 8.290 nan 0.000 0.520 151 K N -0.056 120.245 120.400 -0.165 0.000 2.652 151 K HA 0.265 4.586 4.320 0.000 0.000 0.249 151 K C -1.116 175.310 176.600 -0.291 0.000 0.986 151 K CA -0.694 55.480 56.287 -0.189 0.000 0.867 151 K CB 1.883 34.329 32.500 -0.091 0.000 1.201 151 K HN 0.129 nan 8.250 nan 0.000 0.450 152 I N 1.124 121.458 120.570 -0.394 0.000 2.797 152 I HA 0.592 4.763 4.170 0.000 0.000 0.310 152 I C 0.797 176.700 176.117 -0.357 0.000 0.990 152 I CA -0.755 60.241 61.300 -0.506 0.000 1.228 152 I CB 1.282 38.927 38.000 -0.593 0.000 1.406 152 I HN 0.749 nan 8.210 nan 0.000 0.534 153 G N 4.300 112.872 108.800 -0.381 0.000 2.682 153 G HA2 0.569 4.529 3.960 0.000 0.000 0.300 153 G HA3 0.569 4.529 3.960 0.000 0.000 0.300 153 G C -1.593 172.896 174.900 -0.685 0.000 1.396 153 G CA -0.669 44.120 45.100 -0.520 0.000 1.104 153 G HN 0.407 nan 8.290 nan 0.000 0.587 154 L N 0.658 121.460 121.223 -0.702 0.000 2.346 154 L HA 0.748 5.088 4.340 0.000 0.000 0.274 154 L C -1.099 175.352 176.870 -0.699 0.000 1.007 154 L CA -1.010 53.516 54.840 -0.523 0.000 0.818 154 L CB 2.003 43.950 42.059 -0.186 0.000 1.284 154 L HN 0.345 nan 8.230 nan 0.000 0.424 155 F N 1.004 120.922 119.950 -0.054 0.000 2.513 155 F HA 0.764 5.292 4.527 0.000 0.000 0.358 155 F C 0.539 176.309 175.800 -0.051 0.000 1.118 155 F CA -0.825 57.117 58.000 -0.098 0.000 1.037 155 F CB 1.879 40.800 39.000 -0.131 0.000 1.276 155 F HN 0.514 nan 8.300 nan 0.000 0.446 156 G N 0.351 109.223 108.800 0.120 0.000 2.704 156 G HA2 0.525 4.485 3.960 0.000 0.000 0.293 156 G HA3 0.525 4.485 3.960 0.000 0.000 0.293 156 G C -0.043 174.880 174.900 0.038 0.000 1.421 156 G CA -0.222 44.922 45.100 0.075 0.000 0.870 156 G HN 0.803 nan 8.290 nan 0.000 0.492 157 G N -0.079 108.728 108.800 0.012 0.000 3.078 157 G HA2 0.498 4.459 3.960 0.000 0.000 0.163 157 G HA3 0.498 4.459 3.960 0.000 0.000 0.163 157 G C 0.663 175.799 174.900 0.394 0.000 1.894 157 G CA 0.770 45.847 45.100 -0.039 0.000 0.951 157 G HN 1.545 nan 8.290 nan 0.000 0.446 158 A N -0.577 122.471 122.820 0.379 0.000 2.366 158 A HA 0.621 4.941 4.320 0.000 0.000 0.322 158 A C 0.721 178.433 177.584 0.215 0.000 1.397 158 A CA 0.510 52.757 52.037 0.350 0.000 0.984 158 A CB -0.467 18.706 19.000 0.288 0.000 1.149 158 A HN 2.292 nan 8.150 nan 0.000 0.540 159 G N 1.142 110.064 108.800 0.204 0.000 2.587 159 G HA2 0.139 4.099 3.960 0.000 0.000 0.245 159 G HA3 0.139 4.099 3.960 0.000 0.000 0.245 159 G C 0.246 175.275 174.900 0.216 0.000 0.959 159 G CA 0.457 45.670 45.100 0.188 0.000 1.268 159 G HN 2.185 nan 8.290 nan 0.000 0.448 160 V N -1.223 118.845 119.914 0.256 0.000 3.236 160 V HA 0.767 4.887 4.120 0.000 0.000 0.254 160 V C 1.197 177.491 176.094 0.332 0.000 1.761 160 V CA 1.172 63.660 62.300 0.313 0.000 1.017 160 V CB 0.153 32.064 31.823 0.146 0.000 0.911 160 V HN 2.413 nan 8.190 nan 0.000 0.374 161 G N -0.440 108.517 108.800 0.262 0.000 2.364 161 G HA2 0.519 4.479 3.960 0.000 0.000 0.286 161 G HA3 0.519 4.479 3.960 0.000 0.000 0.286 161 G C -0.604 174.409 174.900 0.189 0.000 1.241 161 G CA 0.445 45.692 45.100 0.246 0.000 0.887 161 G HN 0.322 nan 8.290 nan 0.000 0.484 162 K N -2.542 117.944 120.400 0.144 0.000 7.500 162 K HA -0.252 4.068 4.320 0.000 0.000 0.206 162 K C 1.923 178.605 176.600 0.136 0.000 1.458 162 K CA 1.474 57.820 56.287 0.099 0.000 0.905 162 K CB -1.961 30.594 32.500 0.092 0.000 0.488 162 K HN 0.572 nan 8.250 nan 0.000 0.528 163 T N 2.398 117.043 114.554 0.151 0.000 2.624 163 T HA -0.177 4.173 4.350 0.000 0.000 0.268 163 T C 1.897 176.715 174.700 0.198 0.000 1.041 163 T CA 2.397 64.606 62.100 0.182 0.000 1.159 163 T CB -0.356 68.621 68.868 0.182 0.000 0.863 163 T HN 0.296 nan 8.240 nan 0.000 0.434 164 V N 1.375 121.419 119.914 0.217 0.000 2.252 164 V HA -0.142 3.978 4.120 0.000 0.000 0.249 164 V C 2.395 178.632 176.094 0.237 0.000 1.056 164 V CA 1.655 64.107 62.300 0.253 0.000 1.022 164 V CB -0.668 31.356 31.823 0.336 0.000 0.641 164 V HN 0.353 nan 8.190 nan 0.000 0.445 165 L N -0.632 120.738 121.223 0.246 0.000 2.275 165 L HA -0.032 4.309 4.340 0.000 0.000 0.215 165 L C 1.960 178.907 176.870 0.127 0.000 1.119 165 L CA 1.550 56.492 54.840 0.171 0.000 0.790 165 L CB -0.622 41.559 42.059 0.202 0.000 0.919 165 L HN 0.251 nan 8.230 nan 0.000 0.443 166 I N -1.420 119.256 120.570 0.177 0.000 2.500 166 I HA -0.222 3.948 4.170 0.000 0.000 0.252 166 I C 1.916 178.168 176.117 0.224 0.000 1.142 166 I CA 0.584 62.047 61.300 0.272 0.000 1.451 166 I CB 0.119 38.280 38.000 0.268 0.000 1.093 166 I HN 0.261 nan 8.210 nan 0.000 0.430 167 M N -0.267 119.412 119.600 0.131 0.000 2.236 167 M HA -0.129 4.351 4.480 0.000 0.000 0.266 167 M C 2.082 178.366 176.300 -0.027 0.000 1.070 167 M CA 1.312 56.638 55.300 0.043 0.000 1.137 167 M CB -1.266 31.369 32.600 0.059 0.000 1.378 167 M HN 0.124 nan 8.290 nan 0.000 0.426 168 E N 1.418 121.563 120.200 -0.092 0.000 2.023 168 E HA -0.152 4.199 4.350 0.000 0.000 0.196 168 E C 1.999 178.484 176.600 -0.192 0.000 1.003 168 E CA 1.686 57.878 56.400 -0.346 0.000 0.809 168 E CB -0.653 28.533 29.700 -0.857 0.000 0.755 168 E HN 0.490 nan 8.360 nan 0.000 0.449 169 L N 0.235 121.433 121.223 -0.042 0.000 2.079 169 L HA -0.164 4.176 4.340 0.000 0.000 0.210 169 L C 2.732 179.701 176.870 0.165 0.000 1.081 169 L CA 1.112 56.011 54.840 0.098 0.000 0.752 169 L CB -0.452 41.755 42.059 0.246 0.000 0.896 169 L HN 0.257 nan 8.230 nan 0.000 0.433 170 I N 0.102 120.740 120.570 0.113 0.000 2.208 170 I HA -0.347 3.823 4.170 0.000 0.000 0.245 170 I C 2.341 178.446 176.117 -0.020 0.000 1.097 170 I CA 1.712 62.979 61.300 -0.056 0.000 1.363 170 I CB -0.236 37.608 38.000 -0.260 0.000 1.051 170 I HN 0.432 nan 8.210 nan 0.000 0.413 171 N N 1.500 120.176 118.700 -0.039 0.000 2.022 171 N HA -0.228 4.512 4.740 0.000 0.000 0.195 171 N C 1.403 176.905 175.510 -0.015 0.000 1.063 171 N CA 2.178 55.205 53.050 -0.037 0.000 0.851 171 N CB -0.227 38.221 38.487 -0.065 0.000 1.050 171 N HN 0.135 nan 8.380 nan 0.000 0.425 172 N N -1.029 117.650 118.700 -0.034 0.000 2.513 172 N HA -0.078 4.662 4.740 0.000 0.000 0.187 172 N C 0.663 176.186 175.510 0.022 0.000 1.056 172 N CA 0.840 53.878 53.050 -0.020 0.000 0.907 172 N CB 0.164 38.617 38.487 -0.057 0.000 0.954 172 N HN 0.183 nan 8.380 nan 0.000 0.445 173 V N -0.946 119.003 119.914 0.058 0.000 4.508 173 V HA 0.293 4.413 4.120 0.000 0.000 0.169 173 V C 1.916 178.085 176.094 0.126 0.000 1.084 173 V CA 0.345 62.706 62.300 0.102 0.000 1.371 173 V CB -1.093 30.816 31.823 0.142 0.000 1.878 173 V HN 0.083 nan 8.190 nan 0.000 0.506 174 A N 0.622 123.537 122.820 0.159 0.000 1.997 174 A HA -0.414 3.906 4.320 0.000 0.000 0.226 174 A C 2.022 179.666 177.584 0.101 0.000 1.327 174 A CA 3.150 55.260 52.037 0.121 0.000 0.693 174 A CB -0.896 18.072 19.000 -0.053 0.000 0.832 174 A HN 0.667 nan 8.150 nan 0.000 0.497 175 K N -0.835 119.601 120.400 0.059 0.000 1.985 175 K HA 0.116 4.436 4.320 0.000 0.000 0.210 175 K C 0.972 177.616 176.600 0.073 0.000 1.047 175 K CA 1.063 57.378 56.287 0.046 0.000 0.932 175 K CB -0.253 32.260 32.500 0.021 0.000 0.716 175 K HN 0.495 nan 8.250 nan 0.000 0.439 176 A N 1.924 124.797 122.820 0.088 0.000 2.267 176 A HA 0.444 4.764 4.320 0.000 0.000 0.315 176 A C -1.186 176.503 177.584 0.176 0.000 1.297 176 A CA -0.335 51.758 52.037 0.093 0.000 0.865 176 A CB 0.115 19.151 19.000 0.060 0.000 1.165 176 A HN 0.506 nan 8.150 nan 0.000 0.513 177 H N 0.675 119.772 119.070 0.044 0.000 3.041 177 H HA 0.460 5.016 4.556 0.000 0.000 0.293 177 H C -0.036 175.320 175.328 0.047 0.000 1.166 177 H CA 0.135 56.214 56.048 0.051 0.000 1.529 177 H CB 0.115 29.923 29.762 0.077 0.000 2.050 177 H HN 0.939 nan 8.280 nan 0.000 0.505 178 G N 1.700 110.191 108.800 -0.515 0.000 2.651 178 G HA2 0.507 4.467 3.960 0.000 0.000 0.260 178 G HA3 0.507 4.467 3.960 0.000 0.000 0.260 178 G C 0.684 175.134 174.900 -0.750 0.000 1.216 178 G CA 0.255 45.088 45.100 -0.445 0.000 0.913 178 G HN 1.623 nan 8.290 nan 0.000 0.535 179 G N -1.123 107.465 108.800 -0.353 0.000 2.645 179 G HA2 -0.132 3.829 3.960 0.000 0.000 0.246 179 G HA3 -0.132 3.829 3.960 0.000 0.000 0.246 179 G C -0.135 174.765 174.900 -0.000 0.000 1.322 179 G CA 0.304 45.242 45.100 -0.270 0.000 0.898 179 G HN 0.715 nan 8.290 nan 0.000 0.573 180 Y N -0.023 120.232 120.300 -0.076 0.000 2.684 180 Y HA 0.841 5.391 4.550 0.000 0.000 0.373 180 Y C 1.182 177.180 175.900 0.162 0.000 1.291 180 Y CA -0.951 57.112 58.100 -0.061 0.000 1.472 180 Y CB 0.778 39.020 38.460 -0.363 0.000 1.618 180 Y HN 1.216 nan 8.280 nan 0.000 0.674 181 S N -0.752 115.128 115.700 0.300 0.000 2.543 181 S HA 0.708 5.178 4.470 0.000 0.000 0.274 181 S C -2.102 172.665 174.600 0.278 0.000 1.149 181 S CA -0.524 57.853 58.200 0.295 0.000 0.866 181 S CB 0.818 64.170 63.200 0.253 0.000 1.111 181 S HN 0.304 nan 8.310 nan 0.000 0.457 182 V N 3.465 123.579 119.914 0.333 0.000 3.007 182 V HA 0.769 4.889 4.120 0.000 0.000 0.311 182 V C -1.507 174.811 176.094 0.372 0.000 1.120 182 V CA -0.718 61.767 62.300 0.308 0.000 0.980 182 V CB 1.991 33.976 31.823 0.271 0.000 1.033 182 V HN 0.853 nan 8.190 nan 0.000 0.429 183 F N 2.795 122.806 119.950 0.102 0.000 2.745 183 F HA 0.772 5.299 4.527 0.000 0.000 0.343 183 F C -0.102 175.630 175.800 -0.114 0.000 1.196 183 F CA -0.704 57.322 58.000 0.044 0.000 1.021 183 F CB 1.166 40.157 39.000 -0.015 0.000 1.297 183 F HN 0.593 nan 8.300 nan 0.000 0.486 184 A N 4.253 127.041 122.820 -0.055 0.000 2.280 184 A HA 0.672 4.993 4.320 0.000 0.000 0.320 184 A C 0.252 177.668 177.584 -0.279 0.000 1.366 184 A CA -0.151 51.800 52.037 -0.144 0.000 0.938 184 A CB -0.036 18.896 19.000 -0.114 0.000 1.157 184 A HN 1.023 nan 8.150 nan 0.000 0.536 185 G N 1.460 110.048 108.800 -0.354 0.000 2.333 185 G HA2 0.504 4.464 3.960 0.000 0.000 0.290 185 G HA3 0.504 4.464 3.960 0.000 0.000 0.290 185 G C -0.509 174.321 174.900 -0.118 0.000 1.150 185 G CA -0.164 44.823 45.100 -0.188 0.000 0.895 185 G HN 0.702 nan 8.290 nan 0.000 0.444 186 V N 2.999 122.887 119.914 -0.042 0.000 2.459 186 V HA 0.747 4.867 4.120 0.000 0.000 0.295 186 V C 1.311 177.435 176.094 0.050 0.000 1.029 186 V CA 0.631 62.937 62.300 0.010 0.000 0.874 186 V CB 0.619 32.454 31.823 0.019 0.000 0.985 186 V HN 1.382 nan 8.190 nan 0.000 0.438 187 G N 4.288 113.121 108.800 0.055 0.000 5.260 187 G HA2 -0.317 3.643 3.960 0.000 0.000 0.276 187 G HA3 -0.317 3.643 3.960 0.000 0.000 0.276 187 G C 0.389 175.327 174.900 0.063 0.000 1.357 187 G CA 0.690 45.821 45.100 0.050 0.000 1.008 187 G HN 0.749 nan 8.290 nan 0.000 0.777 188 E N 1.680 121.921 120.200 0.068 0.000 2.653 188 E HA 0.199 4.549 4.350 0.000 0.000 0.282 188 E C 1.203 177.868 176.600 0.109 0.000 1.160 188 E CA 0.551 57.000 56.400 0.081 0.000 1.079 188 E CB 0.094 29.855 29.700 0.102 0.000 1.089 188 E HN 0.674 nan 8.360 nan 0.000 0.472 189 R N 0.039 120.600 120.500 0.102 0.000 2.644 189 R HA -0.042 4.299 4.340 0.000 0.000 0.265 189 R C 1.397 177.772 176.300 0.126 0.000 0.985 189 R CA 0.874 57.033 56.100 0.099 0.000 1.097 189 R CB -0.200 30.154 30.300 0.089 0.000 0.931 189 R HN 0.434 nan 8.270 nan 0.000 0.419 190 T N 1.387 115.994 114.554 0.089 0.000 3.035 190 T HA -0.019 4.331 4.350 0.000 0.000 0.259 190 T C 1.646 176.370 174.700 0.039 0.000 1.078 190 T CA 0.598 62.737 62.100 0.065 0.000 1.132 190 T CB -0.055 68.835 68.868 0.036 0.000 0.900 190 T HN 0.456 nan 8.240 nan 0.000 0.480 191 R N 1.817 122.347 120.500 0.049 0.000 2.088 191 R HA -0.181 4.159 4.340 0.000 0.000 0.232 191 R C 2.281 178.609 176.300 0.046 0.000 1.136 191 R CA 2.388 58.514 56.100 0.042 0.000 0.926 191 R CB -0.349 29.978 30.300 0.045 0.000 0.837 191 R HN 0.590 nan 8.270 nan 0.000 0.429 192 E N -0.468 119.773 120.200 0.068 0.000 2.114 192 E HA -0.168 4.182 4.350 0.000 0.000 0.199 192 E C 1.980 178.610 176.600 0.049 0.000 1.008 192 E CA 1.483 57.927 56.400 0.072 0.000 0.810 192 E CB -0.814 28.956 29.700 0.118 0.000 0.739 192 E HN 0.568 nan 8.360 nan 0.000 0.456 193 G N 1.068 109.916 108.800 0.081 0.000 2.450 193 G HA2 -0.389 3.571 3.960 0.000 0.000 0.220 193 G HA3 -0.389 3.571 3.960 0.000 0.000 0.220 193 G C 1.499 176.284 174.900 -0.192 0.000 1.130 193 G CA 1.097 46.189 45.100 -0.014 0.000 0.760 193 G HN 0.440 nan 8.290 nan 0.000 0.557 194 N N 0.429 119.088 118.700 -0.069 0.000 2.148 194 N HA -0.047 4.693 4.740 0.000 0.000 0.186 194 N C 1.674 177.244 175.510 0.100 0.000 1.031 194 N CA 1.603 54.667 53.050 0.023 0.000 0.848 194 N CB -0.266 38.263 38.487 0.070 0.000 1.005 194 N HN 0.177 nan 8.380 nan 0.000 0.427 195 D N 0.116 120.560 120.400 0.074 0.000 2.103 195 D HA -0.176 4.464 4.640 0.000 0.000 0.190 195 D C 1.878 178.202 176.300 0.040 0.000 0.997 195 D CA 1.225 55.269 54.000 0.073 0.000 0.833 195 D CB -0.527 40.291 40.800 0.031 0.000 0.961 195 D HN 0.225 nan 8.370 nan 0.000 0.447 196 L N -0.078 121.133 121.223 -0.021 0.000 2.103 196 L HA -0.270 4.070 4.340 0.000 0.000 0.215 196 L C 2.089 178.930 176.870 -0.048 0.000 1.080 196 L CA 1.668 56.452 54.840 -0.093 0.000 0.764 196 L CB -0.658 41.259 42.059 -0.236 0.000 0.890 196 L HN 0.174 nan 8.230 nan 0.000 0.435 197 Y N 0.108 120.276 120.300 -0.220 0.000 2.070 197 Y HA -0.275 4.275 4.550 0.000 0.000 0.279 197 Y C 2.717 178.460 175.900 -0.262 0.000 1.134 197 Y CA 2.272 60.203 58.100 -0.283 0.000 1.113 197 Y CB -1.145 37.076 38.460 -0.398 0.000 0.981 197 Y HN 0.417 nan 8.280 nan 0.000 0.487 198 H N -0.035 118.999 119.070 -0.059 0.000 2.422 198 H HA -0.132 4.424 4.556 0.000 0.000 0.298 198 H C 2.151 177.416 175.328 -0.104 0.000 1.098 198 H CA 1.822 57.765 56.048 -0.176 0.000 1.315 198 H CB 0.083 29.748 29.762 -0.161 0.000 1.382 198 H HN 0.484 nan 8.280 nan 0.000 0.523 199 E N 0.059 120.278 120.200 0.032 0.000 2.106 199 E HA -0.135 4.216 4.350 0.000 0.000 0.192 199 E C 1.725 178.313 176.600 -0.021 0.000 0.984 199 E CA 0.660 57.059 56.400 -0.002 0.000 0.806 199 E CB -0.016 29.674 29.700 -0.016 0.000 0.750 199 E HN 0.535 nan 8.360 nan 0.000 0.458 200 M N 0.397 119.984 119.600 -0.023 0.000 2.686 200 M HA -0.050 4.430 4.480 0.000 0.000 0.246 200 M C 1.570 177.857 176.300 -0.021 0.000 1.096 200 M CA 0.542 55.830 55.300 -0.020 0.000 1.076 200 M CB 0.217 32.815 32.600 -0.004 0.000 1.504 200 M HN 0.126 nan 8.290 nan 0.000 0.524 201 I N -1.028 119.513 120.570 -0.050 0.000 2.899 201 I HA -0.092 4.078 4.170 0.000 0.000 0.257 201 I C 2.076 178.169 176.117 -0.040 0.000 1.115 201 I CA 0.920 62.179 61.300 -0.069 0.000 1.451 201 I CB -1.035 36.881 38.000 -0.140 0.000 1.251 201 I HN 0.176 nan 8.210 nan 0.000 0.456 202 E N 1.303 121.486 120.200 -0.028 0.000 2.171 202 E HA -0.178 4.172 4.350 0.000 0.000 0.197 202 E C 1.672 178.259 176.600 -0.022 0.000 0.997 202 E CA 1.427 57.813 56.400 -0.023 0.000 0.810 202 E CB 0.087 29.776 29.700 -0.018 0.000 0.738 202 E HN 0.154 nan 8.360 nan 0.000 0.467 203 S N -1.546 114.141 115.700 -0.022 0.000 2.597 203 S HA 0.312 4.782 4.470 0.000 0.000 0.224 203 S C 0.999 175.587 174.600 -0.019 0.000 0.955 203 S CA 0.334 58.523 58.200 -0.019 0.000 0.933 203 S CB 0.600 63.788 63.200 -0.019 0.000 0.788 203 S HN 0.586 nan 8.310 nan 0.000 0.488 204 G N 0.953 109.740 108.800 -0.021 0.000 2.708 204 G HA2 -0.387 3.573 3.960 0.000 0.000 0.229 204 G HA3 -0.387 3.573 3.960 0.000 0.000 0.229 204 G C 1.048 175.936 174.900 -0.021 0.000 1.236 204 G CA 0.359 45.447 45.100 -0.020 0.000 0.749 204 G HN 0.375 nan 8.290 nan 0.000 0.515 205 V N 1.207 121.110 119.914 -0.019 0.000 2.295 205 V HA -0.247 3.873 4.120 0.000 0.000 0.262 205 V C 1.660 177.738 176.094 -0.025 0.000 1.098 205 V CA 2.489 64.776 62.300 -0.021 0.000 1.095 205 V CB -0.345 31.465 31.823 -0.022 0.000 0.704 205 V HN 0.584 nan 8.190 nan 0.000 0.454 206 I N 0.491 121.053 120.570 -0.014 0.000 2.355 206 I HA 0.324 4.494 4.170 0.000 0.000 0.288 206 I C -0.240 175.872 176.117 -0.008 0.000 0.999 206 I CA -0.208 61.095 61.300 0.004 0.000 1.163 206 I CB 1.325 39.364 38.000 0.065 0.000 1.316 206 I HN 0.290 nan 8.210 nan 0.000 0.454 207 N N 6.624 125.316 118.700 -0.014 0.000 2.399 207 N HA 0.395 5.135 4.740 0.000 0.000 0.280 207 N C 0.094 175.597 175.510 -0.012 0.000 1.008 207 N CA -0.652 52.387 53.050 -0.019 0.000 0.894 207 N CB 1.462 39.936 38.487 -0.022 0.000 1.273 207 N HN 0.543 nan 8.380 nan 0.000 0.486 208 L N 1.596 122.809 121.223 -0.015 0.000 2.418 208 L HA 0.133 4.473 4.340 0.000 0.000 0.218 208 L C 1.647 178.511 176.870 -0.009 0.000 1.125 208 L CA 0.382 55.217 54.840 -0.008 0.000 0.835 208 L CB -0.284 41.763 42.059 -0.019 0.000 0.953 208 L HN 0.526 nan 8.230 nan 0.000 0.454 209 K N 0.183 120.575 120.400 -0.013 0.000 2.139 209 K HA 0.022 4.342 4.320 0.000 0.000 0.217 209 K C 1.206 177.800 176.600 -0.010 0.000 1.025 209 K CA 0.587 56.868 56.287 -0.011 0.000 0.947 209 K CB -0.622 31.870 32.500 -0.013 0.000 0.897 209 K HN -0.042 nan 8.250 nan 0.000 0.457 210 D N -0.112 120.281 120.400 -0.011 0.000 2.062 210 D HA -0.095 4.545 4.640 0.000 0.000 0.249 210 D C -0.304 175.989 176.300 -0.010 0.000 1.114 210 D CA 2.592 56.586 54.000 -0.010 0.000 0.990 210 D CB 0.118 40.911 40.800 -0.011 0.000 1.442 210 D HN 0.381 nan 8.370 nan 0.000 0.533 211 A N -1.755 121.056 122.820 -0.015 0.000 1.990 211 A HA 0.212 4.532 4.320 0.000 0.000 0.232 211 A C -0.287 177.280 177.584 -0.028 0.000 2.680 211 A CA -0.096 51.929 52.037 -0.020 0.000 2.041 211 A CB -0.652 18.343 19.000 -0.010 0.000 0.411 211 A HN 0.189 nan 8.150 nan 0.000 0.918 212 T N 0.289 114.823 114.554 -0.034 0.000 3.374 212 T HA 0.347 4.697 4.350 0.000 0.000 0.267 212 T C 0.155 174.817 174.700 -0.062 0.000 0.996 212 T CA 0.022 62.099 62.100 -0.039 0.000 0.977 212 T CB 0.231 69.085 68.868 -0.024 0.000 1.149 212 T HN 0.335 nan 8.240 nan 0.000 0.517 213 S N 2.717 118.358 115.700 -0.097 0.000 2.422 213 S HA 0.267 4.737 4.470 0.000 0.000 0.308 213 S C 1.156 175.592 174.600 -0.274 0.000 1.097 213 S CA -0.980 57.140 58.200 -0.133 0.000 1.099 213 S CB 0.953 64.091 63.200 -0.103 0.000 0.976 213 S HN 0.327 nan 8.310 nan 0.000 0.471 214 K N 1.492 121.750 120.400 -0.237 0.000 2.323 214 K HA 0.105 4.426 4.320 0.000 0.000 0.197 214 K C 1.078 177.495 176.600 -0.305 0.000 1.043 214 K CA 0.460 56.540 56.287 -0.346 0.000 0.997 214 K CB -0.708 31.752 32.500 -0.068 0.000 0.807 214 K HN 0.532 nan 8.250 nan 0.000 0.497 215 V N -0.999 118.831 119.914 -0.141 0.000 3.109 215 V HA 0.832 4.952 4.120 0.000 0.000 0.317 215 V C -0.361 175.725 176.094 -0.014 0.000 1.074 215 V CA -0.928 61.356 62.300 -0.026 0.000 1.033 215 V CB 1.437 33.272 31.823 0.021 0.000 1.111 215 V HN 0.207 nan 8.190 nan 0.000 0.458 216 A N 2.990 125.869 122.820 0.097 0.000 2.449 216 A HA 0.800 5.121 4.320 0.000 0.000 0.302 216 A C -0.970 176.691 177.584 0.128 0.000 1.048 216 A CA -0.720 51.390 52.037 0.122 0.000 0.708 216 A CB 1.584 20.730 19.000 0.243 0.000 1.274 216 A HN 0.979 nan 8.150 nan 0.000 0.410 217 L N 3.199 124.475 121.223 0.088 0.000 2.313 217 L HA 0.377 4.717 4.340 0.000 0.000 0.273 217 L C -0.945 176.046 176.870 0.201 0.000 1.028 217 L CA -0.632 54.301 54.840 0.156 0.000 0.871 217 L CB 1.190 43.296 42.059 0.079 0.000 1.242 217 L HN 0.459 nan 8.230 nan 0.000 0.434 218 V N 3.433 123.439 119.914 0.153 0.000 2.370 218 V HA 0.378 4.498 4.120 0.000 0.000 0.279 218 V C -0.701 175.416 176.094 0.039 0.000 1.029 218 V CA -0.377 61.987 62.300 0.107 0.000 0.870 218 V CB 1.334 33.181 31.823 0.040 0.000 0.984 218 V HN 0.375 nan 8.190 nan 0.000 0.451 219 Y N 1.881 122.199 120.300 0.030 0.000 2.499 219 Y HA 0.799 5.349 4.550 0.000 0.000 0.347 219 Y C 0.552 176.468 175.900 0.027 0.000 0.987 219 Y CA -0.756 57.368 58.100 0.041 0.000 1.044 219 Y CB 2.724 41.190 38.460 0.009 0.000 1.245 219 Y HN 0.672 nan 8.280 nan 0.000 0.461 220 G N 2.809 111.706 108.800 0.162 0.000 2.107 220 G HA2 0.466 4.426 3.960 0.000 0.000 0.297 220 G HA3 0.466 4.426 3.960 0.000 0.000 0.297 220 G C -1.539 173.420 174.900 0.099 0.000 1.543 220 G CA -0.589 44.575 45.100 0.105 0.000 1.115 220 G HN 0.498 nan 8.290 nan 0.000 0.550 221 Q N 1.091 120.960 119.800 0.115 0.000 3.105 221 Q HA 0.509 4.850 4.340 0.000 0.000 0.280 221 Q C 1.611 177.649 176.000 0.063 0.000 1.042 221 Q CA -1.201 54.662 55.803 0.100 0.000 0.857 221 Q CB 1.368 30.195 28.738 0.148 0.000 1.468 221 Q HN 0.406 nan 8.270 nan 0.000 0.494 222 M N 1.095 120.729 119.600 0.055 0.000 2.270 222 M HA -0.329 4.152 4.480 0.000 0.000 0.254 222 M C 1.561 177.878 176.300 0.028 0.000 1.072 222 M CA 2.608 57.929 55.300 0.035 0.000 1.077 222 M CB -0.931 31.689 32.600 0.034 0.000 1.288 222 M HN 0.725 nan 8.290 nan 0.000 0.424 223 N N 0.561 119.280 118.700 0.032 0.000 2.651 223 N HA -0.100 4.640 4.740 0.000 0.000 0.193 223 N C -0.283 175.239 175.510 0.021 0.000 1.149 223 N CA 0.767 53.832 53.050 0.024 0.000 0.933 223 N CB -0.248 38.254 38.487 0.024 0.000 0.974 223 N HN 0.495 nan 8.380 nan 0.000 0.448 224 E N -0.577 119.637 120.200 0.023 0.000 2.243 224 E HA 0.407 4.757 4.350 0.000 0.000 0.260 224 E C -2.411 174.195 176.600 0.010 0.000 0.985 224 E CA -2.443 53.969 56.400 0.019 0.000 0.858 224 E CB 0.912 30.628 29.700 0.027 0.000 1.210 224 E HN 0.129 nan 8.360 nan 0.000 0.411 225 P HA 0.053 nan 4.420 nan 0.000 0.275 225 P C -2.009 175.287 177.300 -0.006 0.000 1.266 225 P CA -0.984 62.115 63.100 -0.001 0.000 0.793 225 P CB 0.158 31.858 31.700 -0.000 0.000 1.074 226 P HA -0.111 nan 4.420 nan 0.000 0.219 226 P C 1.386 178.674 177.300 -0.019 0.000 1.150 226 P CA 1.615 64.695 63.100 -0.032 0.000 0.814 226 P CB -0.524 31.142 31.700 -0.056 0.000 0.787 227 G N -0.061 108.734 108.800 -0.009 0.000 2.586 227 G HA2 -0.075 3.885 3.960 0.000 0.000 0.215 227 G HA3 -0.075 3.885 3.960 0.000 0.000 0.215 227 G C 1.485 176.399 174.900 0.023 0.000 1.128 227 G CA 0.823 45.927 45.100 0.007 0.000 0.774 227 G HN 0.409 nan 8.290 nan 0.000 0.543 228 A N 0.118 122.950 122.820 0.020 0.000 2.013 228 A HA 0.345 4.666 4.320 0.000 0.000 0.204 228 A C 2.229 179.834 177.584 0.036 0.000 1.262 228 A CA 0.394 52.447 52.037 0.028 0.000 0.800 228 A CB 0.052 19.067 19.000 0.025 0.000 0.909 228 A HN 0.230 nan 8.150 nan 0.000 0.472 229 R N 0.053 120.571 120.500 0.030 0.000 2.189 229 R HA 0.033 4.374 4.340 0.000 0.000 0.223 229 R C 2.190 178.530 176.300 0.067 0.000 1.092 229 R CA 0.962 57.084 56.100 0.037 0.000 0.989 229 R CB -0.242 30.068 30.300 0.016 0.000 0.876 229 R HN 0.510 nan 8.270 nan 0.000 0.457 230 A N 1.012 123.875 122.820 0.071 0.000 1.872 230 A HA -0.113 4.207 4.320 0.000 0.000 0.214 230 A C 1.704 179.442 177.584 0.256 0.000 1.187 230 A CA 1.079 53.209 52.037 0.154 0.000 0.614 230 A CB -0.025 19.016 19.000 0.068 0.000 0.826 230 A HN 0.085 nan 8.150 nan 0.000 0.442 231 R N -0.483 120.094 120.500 0.128 0.000 2.265 231 R HA 0.118 4.458 4.340 0.000 0.000 0.194 231 R C 1.881 178.186 176.300 0.007 0.000 0.931 231 R CA 0.870 57.009 56.100 0.065 0.000 1.032 231 R CB -2.013 28.296 30.300 0.015 0.000 0.980 231 R HN 0.408 nan 8.270 nan 0.000 0.497 232 V N 1.898 121.825 119.914 0.022 0.000 2.252 232 V HA -0.256 3.864 4.120 0.000 0.000 0.249 232 V C 2.116 178.190 176.094 -0.032 0.000 1.056 232 V CA 2.444 64.745 62.300 0.001 0.000 1.022 232 V CB -0.726 31.108 31.823 0.017 0.000 0.641 232 V HN 0.330 nan 8.190 nan 0.000 0.445 233 A N -0.546 122.254 122.820 -0.033 0.000 2.076 233 A HA -0.124 4.196 4.320 0.000 0.000 0.220 233 A C 2.171 179.679 177.584 -0.128 0.000 1.160 233 A CA 2.104 54.092 52.037 -0.083 0.000 0.653 233 A CB -0.591 18.364 19.000 -0.076 0.000 0.801 233 A HN 0.662 nan 8.150 nan 0.000 0.455 234 L N -0.446 120.700 121.223 -0.128 0.000 2.044 234 L HA -0.147 4.193 4.340 0.000 0.000 0.205 234 L C 3.073 179.873 176.870 -0.116 0.000 1.075 234 L CA 1.853 56.599 54.840 -0.157 0.000 0.747 234 L CB -1.120 40.842 42.059 -0.161 0.000 0.903 234 L HN 0.629 nan 8.230 nan 0.000 0.435 235 T N -2.625 111.875 114.554 -0.089 0.000 2.746 235 T HA -0.128 4.222 4.350 0.000 0.000 0.267 235 T C 1.861 176.530 174.700 -0.052 0.000 1.039 235 T CA 1.092 63.152 62.100 -0.067 0.000 1.142 235 T CB -1.069 67.773 68.868 -0.044 0.000 0.866 235 T HN 0.392 nan 8.240 nan 0.000 0.444 236 G N 0.492 109.265 108.800 -0.045 0.000 2.625 236 G HA2 0.114 4.074 3.960 0.000 0.000 0.214 236 G HA3 0.114 4.074 3.960 0.000 0.000 0.214 236 G C 1.338 176.221 174.900 -0.028 0.000 1.132 236 G CA 0.536 45.622 45.100 -0.023 0.000 0.782 236 G HN 0.557 nan 8.290 nan 0.000 0.538 237 L N -0.808 120.380 121.223 -0.058 0.000 2.500 237 L HA 0.170 4.510 4.340 0.000 0.000 0.219 237 L C 2.577 179.417 176.870 -0.050 0.000 1.057 237 L CA 0.809 55.613 54.840 -0.060 0.000 0.854 237 L CB 0.115 42.114 42.059 -0.100 0.000 1.078 237 L HN 0.090 nan 8.230 nan 0.000 0.480 238 T N -0.733 113.783 114.554 -0.063 0.000 3.007 238 T HA -0.094 4.256 4.350 0.000 0.000 0.270 238 T C 1.767 176.421 174.700 -0.076 0.000 1.107 238 T CA 1.177 63.242 62.100 -0.059 0.000 1.118 238 T CB 0.022 68.849 68.868 -0.068 0.000 0.889 238 T HN 0.125 nan 8.240 nan 0.000 0.506 239 V N 1.445 121.308 119.914 -0.085 0.000 2.273 239 V HA -0.023 4.097 4.120 0.000 0.000 0.242 239 V C 2.887 178.905 176.094 -0.126 0.000 1.035 239 V CA 1.552 63.761 62.300 -0.152 0.000 1.013 239 V CB -1.076 30.713 31.823 -0.057 0.000 0.652 239 V HN 0.492 nan 8.190 nan 0.000 0.452 240 A N -0.627 122.222 122.820 0.048 0.000 1.940 240 A HA -0.258 4.063 4.320 0.000 0.000 0.219 240 A C 2.071 179.730 177.584 0.124 0.000 1.176 240 A CA 1.991 54.129 52.037 0.168 0.000 0.631 240 A CB -0.481 18.592 19.000 0.122 0.000 0.814 240 A HN 0.645 nan 8.150 nan 0.000 0.446 241 E N -1.387 118.838 120.200 0.043 0.000 2.007 241 E HA -0.260 4.090 4.350 0.000 0.000 0.203 241 E C 1.898 178.535 176.600 0.061 0.000 1.020 241 E CA 1.696 58.120 56.400 0.040 0.000 0.845 241 E CB -0.523 29.188 29.700 0.018 0.000 0.779 241 E HN 0.737 nan 8.360 nan 0.000 0.466 242 Y N 0.660 120.882 120.300 -0.130 0.000 2.283 242 Y HA -0.272 4.278 4.550 0.000 0.000 0.285 242 Y C 1.872 177.731 175.900 -0.069 0.000 1.176 242 Y CA 1.302 59.316 58.100 -0.143 0.000 1.229 242 Y CB -0.242 38.079 38.460 -0.231 0.000 0.975 242 Y HN 0.024 nan 8.280 nan 0.000 0.537 243 F N 0.067 120.172 119.950 0.259 0.000 2.206 243 F HA -0.041 4.486 4.527 0.000 0.000 0.298 243 F C 2.685 178.476 175.800 -0.014 0.000 1.090 243 F CA 1.552 59.641 58.000 0.149 0.000 1.323 243 F CB -0.866 38.244 39.000 0.184 0.000 1.028 243 F HN 0.069 nan 8.300 nan 0.000 0.492 244 R N 0.558 121.160 120.500 0.170 0.000 2.051 244 R HA -0.081 4.259 4.340 0.000 0.000 0.225 244 R C 1.589 177.881 176.300 -0.012 0.000 1.155 244 R CA 1.580 57.717 56.100 0.060 0.000 0.945 244 R CB -0.605 29.728 30.300 0.055 0.000 0.840 244 R HN 0.106 nan 8.270 nan 0.000 0.432 245 D N 1.226 121.604 120.400 -0.037 0.000 1.971 245 D HA -0.174 4.466 4.640 0.000 0.000 0.253 245 D C 1.832 178.035 176.300 -0.162 0.000 1.019 245 D CA 1.244 55.193 54.000 -0.085 0.000 0.947 245 D CB -0.737 40.017 40.800 -0.076 0.000 1.256 245 D HN 0.245 nan 8.370 nan 0.000 0.493 246 Q N 0.067 119.688 119.800 -0.297 0.000 2.528 246 Q HA -0.107 4.233 4.340 0.000 0.000 0.217 246 Q C 0.768 176.555 176.000 -0.355 0.000 0.988 246 Q CA 0.891 56.449 55.803 -0.407 0.000 0.900 246 Q CB 0.012 28.321 28.738 -0.715 0.000 0.947 246 Q HN 0.277 nan 8.270 nan 0.000 0.502 247 E N -0.518 119.532 120.200 -0.250 0.000 4.120 247 E HA 0.118 4.468 4.350 0.000 0.000 0.202 247 E C -0.427 176.128 176.600 -0.075 0.000 1.067 247 E CA -0.256 56.077 56.400 -0.113 0.000 1.424 247 E CB 0.130 29.842 29.700 0.019 0.000 1.164 247 E HN 0.288 nan 8.360 nan 0.000 0.439 248 G N 3.307 112.059 108.800 -0.080 0.000 1.932 248 G HA2 -0.286 3.674 3.960 0.000 0.000 0.239 248 G HA3 -0.286 3.674 3.960 0.000 0.000 0.239 248 G C 0.292 175.154 174.900 -0.064 0.000 0.697 248 G CA 1.377 46.441 45.100 -0.061 0.000 0.927 248 G HN 0.444 nan 8.290 nan 0.000 0.376 249 Q N -0.361 119.404 119.800 -0.058 0.000 2.399 249 Q HA 0.422 4.763 4.340 0.000 0.000 0.276 249 Q C -1.355 174.633 176.000 -0.020 0.000 1.098 249 Q CA -1.084 54.666 55.803 -0.088 0.000 0.827 249 Q CB 1.721 30.323 28.738 -0.227 0.000 1.386 249 Q HN 0.053 nan 8.270 nan 0.000 0.443 250 D N 2.319 122.715 120.400 -0.008 0.000 2.517 250 D HA 0.221 4.862 4.640 0.000 0.000 0.220 250 D C 0.076 176.482 176.300 0.176 0.000 1.158 250 D CA -0.053 53.991 54.000 0.074 0.000 0.992 250 D CB 0.391 41.244 40.800 0.088 0.000 1.058 250 D HN 0.336 nan 8.370 nan 0.000 0.516 251 V N 0.861 120.870 119.914 0.158 0.000 3.546 251 V HA 0.287 4.408 4.120 0.000 0.000 0.296 251 V C 0.739 176.926 176.094 0.154 0.000 1.082 251 V CA -0.554 61.883 62.300 0.229 0.000 1.086 251 V CB 0.481 32.461 31.823 0.263 0.000 1.174 251 V HN 0.253 nan 8.190 nan 0.000 0.464 252 L N 0.073 121.372 121.223 0.128 0.000 2.194 252 L HA 0.834 5.174 4.340 0.000 0.000 0.248 252 L C -1.288 175.608 176.870 0.042 0.000 1.071 252 L CA -0.616 54.209 54.840 -0.025 0.000 0.901 252 L CB 2.094 44.087 42.059 -0.110 0.000 1.497 252 L HN 0.606 nan 8.230 nan 0.000 0.442 253 L N 0.422 121.592 121.223 -0.088 0.000 2.795 253 L HA 0.475 4.815 4.340 0.000 0.000 0.260 253 L C -2.092 174.659 176.870 -0.198 0.000 0.935 253 L CA -0.030 54.799 54.840 -0.017 0.000 0.985 253 L CB 1.281 43.320 42.059 -0.033 0.000 1.433 253 L HN 0.225 nan 8.230 nan 0.000 0.447 254 F N 6.168 126.016 119.950 -0.169 0.000 2.385 254 F HA 0.638 5.165 4.527 0.000 0.000 0.360 254 F C -0.001 175.428 175.800 -0.618 0.000 1.122 254 F CA -0.371 57.400 58.000 -0.382 0.000 1.090 254 F CB 1.306 40.052 39.000 -0.424 0.000 1.150 254 F HN 0.241 nan 8.300 nan 0.000 0.472 255 I N 3.175 123.535 120.570 -0.351 0.000 2.354 255 I HA 0.158 4.329 4.170 0.000 0.000 0.286 255 I C -0.118 175.804 176.117 -0.325 0.000 1.007 255 I CA -0.443 60.656 61.300 -0.335 0.000 1.167 255 I CB 0.914 38.794 38.000 -0.201 0.000 1.320 255 I HN 0.359 nan 8.210 nan 0.000 0.458 256 D N 7.258 127.419 120.400 -0.398 0.000 2.416 256 D HA 0.100 4.741 4.640 0.000 0.000 0.240 256 D C -0.662 175.605 176.300 -0.054 0.000 1.250 256 D CA 0.170 54.063 54.000 -0.178 0.000 0.967 256 D CB -0.346 40.442 40.800 -0.020 0.000 1.059 256 D HN 0.483 nan 8.370 nan 0.000 0.512 257 N N 2.225 120.906 118.700 -0.033 0.000 3.585 257 N HA -0.213 4.527 4.740 0.000 0.000 0.280 257 N C 0.264 175.823 175.510 0.081 0.000 1.982 257 N CA 0.068 53.152 53.050 0.056 0.000 2.260 257 N CB -0.676 37.892 38.487 0.134 0.000 0.635 257 N HN 0.392 nan 8.380 nan 0.000 0.546 258 I N 2.501 123.127 120.570 0.093 0.000 3.645 258 I HA 0.192 4.362 4.170 0.000 0.000 0.300 258 I C 1.409 177.677 176.117 0.252 0.000 1.260 258 I CA 0.318 61.673 61.300 0.092 0.000 1.365 258 I CB -0.061 37.941 38.000 0.002 0.000 1.077 258 I HN 0.612 nan 8.210 nan 0.000 0.439 259 F N 0.708 120.706 119.950 0.079 0.000 2.802 259 F HA 0.204 4.732 4.527 0.000 0.000 0.300 259 F C 1.727 177.583 175.800 0.093 0.000 1.168 259 F CA 0.367 58.433 58.000 0.110 0.000 1.433 259 F CB -0.808 38.263 39.000 0.117 0.000 1.115 259 F HN -0.112 nan 8.300 nan 0.000 0.582 260 R N -0.034 120.620 120.500 0.258 0.000 2.280 260 R HA -0.103 4.238 4.340 0.000 0.000 0.207 260 R C 1.704 178.008 176.300 0.006 0.000 1.043 260 R CA 0.554 56.676 56.100 0.037 0.000 1.006 260 R CB -1.434 28.931 30.300 0.108 0.000 0.885 260 R HN 0.466 nan 8.270 nan 0.000 0.467 261 F N 1.121 121.028 119.950 -0.072 0.000 2.502 261 F HA -0.056 4.471 4.527 0.000 0.000 0.298 261 F C 1.379 177.103 175.800 -0.127 0.000 1.111 261 F CA 1.071 59.028 58.000 -0.071 0.000 1.445 261 F CB 0.210 39.190 39.000 -0.033 0.000 1.081 261 F HN -0.154 nan 8.300 nan 0.000 0.558 262 T N -1.086 113.286 114.554 -0.304 0.000 3.033 262 T HA -0.038 4.312 4.350 0.000 0.000 0.248 262 T C 1.649 176.027 174.700 -0.537 0.000 1.040 262 T CA 0.534 62.354 62.100 -0.466 0.000 1.133 262 T CB 0.004 68.643 68.868 -0.380 0.000 0.895 262 T HN 0.046 nan 8.240 nan 0.000 0.465 263 Q N 1.643 121.093 119.800 -0.584 0.000 2.181 263 Q HA 0.062 4.403 4.340 0.000 0.000 0.205 263 Q C 2.397 178.207 176.000 -0.316 0.000 0.980 263 Q CA 1.538 57.060 55.803 -0.468 0.000 0.862 263 Q CB -0.679 27.837 28.738 -0.371 0.000 0.905 263 Q HN 0.560 nan 8.270 nan 0.000 0.429 264 A N -0.391 122.266 122.820 -0.272 0.000 1.978 264 A HA -0.119 4.201 4.320 0.000 0.000 0.220 264 A C 2.195 179.647 177.584 -0.220 0.000 1.170 264 A CA 1.745 53.661 52.037 -0.200 0.000 0.636 264 A CB -1.016 17.886 19.000 -0.164 0.000 0.810 264 A HN 0.478 nan 8.150 nan 0.000 0.448 265 G N -1.234 107.386 108.800 -0.300 0.000 2.453 265 G HA2 0.006 3.966 3.960 0.000 0.000 0.215 265 G HA3 0.006 3.966 3.960 0.000 0.000 0.215 265 G C 1.597 176.362 174.900 -0.225 0.000 1.147 265 G CA 0.981 45.925 45.100 -0.260 0.000 0.802 265 G HN 0.499 nan 8.290 nan 0.000 0.535 266 S N 0.557 116.077 115.700 -0.301 0.000 2.507 266 S HA -0.002 4.468 4.470 0.000 0.000 0.235 266 S C 1.675 176.177 174.600 -0.163 0.000 0.988 266 S CA 0.911 58.947 58.200 -0.273 0.000 0.944 266 S CB 0.011 62.970 63.200 -0.402 0.000 0.762 266 S HN 0.606 nan 8.310 nan 0.000 0.526 267 E N -0.551 119.559 120.200 -0.149 0.000 2.490 267 E HA 0.204 4.555 4.350 0.000 0.000 0.209 267 E C 1.162 177.716 176.600 -0.077 0.000 0.971 267 E CA 0.111 56.453 56.400 -0.098 0.000 0.988 267 E CB 0.648 30.293 29.700 -0.092 0.000 1.029 267 E HN 0.278 nan 8.360 nan 0.000 0.496 268 V N -0.446 119.414 119.914 -0.089 0.000 3.562 268 V HA 0.052 4.172 4.120 0.000 0.000 0.270 268 V C 1.564 177.623 176.094 -0.058 0.000 1.418 268 V CA 0.492 62.752 62.300 -0.066 0.000 1.033 268 V CB 0.865 32.651 31.823 -0.062 0.000 0.820 268 V HN 0.065 nan 8.190 nan 0.000 0.441 269 S N 1.176 116.834 115.700 -0.070 0.000 2.534 269 S HA -0.207 4.263 4.470 0.000 0.000 0.217 269 S C 2.181 176.763 174.600 -0.030 0.000 1.097 269 S CA 2.066 60.236 58.200 -0.051 0.000 1.288 269 S CB -0.742 62.428 63.200 -0.050 0.000 1.109 269 S HN 0.865 nan 8.310 nan 0.000 0.398 270 A N 1.507 124.313 122.820 -0.022 0.000 2.001 270 A HA -0.204 4.116 4.320 0.000 0.000 0.224 270 A C 1.961 179.538 177.584 -0.012 0.000 1.203 270 A CA 2.201 54.230 52.037 -0.012 0.000 0.667 270 A CB -1.294 17.702 19.000 -0.006 0.000 0.823 270 A HN 0.666 nan 8.150 nan 0.000 0.473 271 L N -3.205 118.007 121.223 -0.018 0.000 2.650 271 L HA 0.268 4.608 4.340 0.000 0.000 0.235 271 L C 1.404 178.266 176.870 -0.014 0.000 1.149 271 L CA 0.307 55.138 54.840 -0.015 0.000 0.887 271 L CB -0.316 41.733 42.059 -0.017 0.000 1.021 271 L HN 0.233 nan 8.230 nan 0.000 0.441 272 L N 0.699 121.913 121.223 -0.015 0.000 2.664 272 L HA 0.436 4.776 4.340 0.000 0.000 0.233 272 L C 1.108 177.974 176.870 -0.008 0.000 1.113 272 L CA 0.448 55.281 54.840 -0.013 0.000 0.896 272 L CB 0.370 42.419 42.059 -0.017 0.000 1.163 272 L HN 0.473 nan 8.230 nan 0.000 0.497 273 G N 1.180 109.976 108.800 -0.007 0.000 2.288 273 G HA2 -0.190 3.770 3.960 0.000 0.000 0.205 273 G HA3 -0.190 3.770 3.960 0.000 0.000 0.205 273 G C -0.104 174.795 174.900 -0.003 0.000 1.071 273 G CA -0.505 44.593 45.100 -0.003 0.000 0.788 273 G HN 0.258 nan 8.290 nan 0.000 0.491 274 R N -1.060 119.437 120.500 -0.004 0.000 2.787 274 R HA 0.764 5.104 4.340 0.000 0.000 0.271 274 R C 0.186 176.487 176.300 0.002 0.000 0.993 274 R CA -0.978 55.120 56.100 -0.002 0.000 0.993 274 R CB 1.465 31.761 30.300 -0.006 0.000 1.155 274 R HN 0.216 nan 8.270 nan 0.000 0.486 275 I N 3.991 124.564 120.570 0.005 0.000 2.315 275 I HA 0.245 4.415 4.170 0.000 0.000 0.291 275 I C -1.517 174.608 176.117 0.013 0.000 1.006 275 I CA -2.018 59.286 61.300 0.008 0.000 1.265 275 I CB 1.346 39.350 38.000 0.007 0.000 1.387 275 I HN 0.391 nan 8.210 nan 0.000 0.475 276 P HA 0.035 nan 4.420 nan 0.000 0.276 276 P C -0.181 177.139 177.300 0.033 0.000 1.264 276 P CA 0.002 63.121 63.100 0.032 0.000 0.815 276 P CB 0.970 32.689 31.700 0.031 0.000 1.121 277 S N -2.433 113.295 115.700 0.047 0.000 3.047 277 S HA 0.454 4.924 4.470 0.000 0.000 0.308 277 S C -1.200 173.397 174.600 -0.005 0.000 1.245 277 S CA 0.001 58.215 58.200 0.023 0.000 1.109 277 S CB -0.395 62.822 63.200 0.027 0.000 1.417 277 S HN 0.600 nan 8.310 nan 0.000 0.555 278 A N 1.247 124.024 122.820 -0.071 0.000 2.498 278 A HA 0.340 4.660 4.320 0.000 0.000 0.287 278 A C 1.320 178.750 177.584 -0.257 0.000 1.000 278 A CA 1.098 53.018 52.037 -0.194 0.000 1.036 278 A CB -1.722 17.091 19.000 -0.312 0.000 0.842 278 A HN 1.767 nan 8.150 nan 0.000 0.474 279 V N 1.092 120.936 119.914 -0.116 0.000 1.571 279 V HA -0.373 3.748 4.120 0.000 0.000 0.066 279 V C 2.084 178.240 176.094 0.103 0.000 1.481 279 V CA 2.682 64.968 62.300 -0.023 0.000 2.255 279 V CB -1.515 30.267 31.823 -0.069 0.000 1.591 279 V HN 2.746 nan 8.190 nan 0.000 0.919 280 G N -3.647 105.225 108.800 0.121 0.000 3.465 280 G HA2 -0.182 3.778 3.960 0.000 0.000 0.196 280 G HA3 -0.182 3.778 3.960 0.000 0.000 0.196 280 G C 0.278 175.301 174.900 0.205 0.000 1.170 280 G CA 0.250 45.435 45.100 0.142 0.000 0.887 280 G HN 0.570 nan 8.290 nan 0.000 0.444 281 Y N 1.642 121.930 120.300 -0.019 0.000 1.327 281 Y HA -0.171 4.380 4.550 0.000 0.000 0.083 281 Y C 1.619 177.494 175.900 -0.042 0.000 0.593 281 Y CA 1.858 59.937 58.100 -0.035 0.000 0.246 281 Y CB -1.143 37.301 38.460 -0.028 0.000 0.529 281 Y HN 0.854 nan 8.280 nan 0.000 0.819 282 Q N -0.623 119.284 119.800 0.178 0.000 2.578 282 Q HA 0.379 4.719 4.340 0.000 0.000 0.284 282 Q C -2.907 173.126 176.000 0.056 0.000 0.960 282 Q CA -1.907 53.932 55.803 0.060 0.000 0.809 282 Q CB 2.568 31.299 28.738 -0.011 0.000 1.462 282 Q HN 0.154 nan 8.270 nan 0.000 0.392 283 P HA 0.052 nan 4.420 nan 0.000 0.226 283 P C -0.250 177.062 177.300 0.021 0.000 1.758 283 P CA 0.153 63.268 63.100 0.025 0.000 0.896 283 P CB -0.129 31.580 31.700 0.014 0.000 1.784 284 T N -4.128 110.441 114.554 0.025 0.000 3.200 284 T HA -0.043 4.307 4.350 0.000 0.000 0.259 284 T C 1.409 176.126 174.700 0.028 0.000 0.855 284 T CA 0.045 62.154 62.100 0.015 0.000 0.865 284 T CB -0.928 67.929 68.868 -0.019 0.000 1.270 284 T HN 0.078 nan 8.240 nan 0.000 0.563 285 L N 2.199 123.446 121.223 0.040 0.000 2.186 285 L HA -0.254 4.087 4.340 0.000 0.000 0.221 285 L C 2.446 179.377 176.870 0.101 0.000 1.087 285 L CA 2.549 57.431 54.840 0.070 0.000 0.794 285 L CB -0.706 41.463 42.059 0.183 0.000 0.893 285 L HN 0.431 nan 8.230 nan 0.000 0.442 286 A N -0.710 122.172 122.820 0.103 0.000 1.824 286 A HA -0.212 4.109 4.320 0.000 0.000 0.215 286 A C 2.227 179.894 177.584 0.138 0.000 1.209 286 A CA 2.513 54.623 52.037 0.123 0.000 0.614 286 A CB -1.460 17.597 19.000 0.094 0.000 0.852 286 A HN 0.530 nan 8.150 nan 0.000 0.447 287 T N 0.438 115.058 114.554 0.108 0.000 2.778 287 T HA -0.158 4.192 4.350 0.000 0.000 0.269 287 T C 1.400 176.196 174.700 0.159 0.000 1.050 287 T CA 1.736 63.905 62.100 0.115 0.000 1.137 287 T CB -0.571 68.343 68.868 0.078 0.000 0.860 287 T HN 0.491 nan 8.240 nan 0.000 0.468 288 D N 1.036 121.531 120.400 0.159 0.000 2.088 288 D HA -0.058 4.582 4.640 0.000 0.000 0.196 288 D C 1.915 178.494 176.300 0.465 0.000 0.983 288 D CA 0.897 55.073 54.000 0.292 0.000 0.846 288 D CB -0.605 40.180 40.800 -0.025 0.000 0.992 288 D HN 0.166 nan 8.370 nan 0.000 0.448 289 M N 1.033 120.810 119.600 0.295 0.000 2.337 289 M HA -0.043 4.437 4.480 0.000 0.000 0.261 289 M C 1.400 177.694 176.300 -0.010 0.000 1.067 289 M CA 1.158 56.546 55.300 0.147 0.000 1.074 289 M CB -0.790 31.857 32.600 0.078 0.000 1.395 289 M HN 0.049 nan 8.290 nan 0.000 0.431 290 G N -1.317 107.585 108.800 0.170 0.000 2.586 290 G HA2 -0.088 3.873 3.960 0.000 0.000 0.199 290 G HA3 -0.088 3.873 3.960 0.000 0.000 0.199 290 G C 1.097 176.092 174.900 0.159 0.000 1.614 290 G CA 1.076 46.321 45.100 0.242 0.000 0.921 290 G HN 0.379 nan 8.290 nan 0.000 0.428 291 T N 0.833 115.472 114.554 0.142 0.000 2.840 291 T HA -0.388 3.962 4.350 0.000 0.000 0.255 291 T C 2.085 176.808 174.700 0.039 0.000 1.037 291 T CA 2.191 64.351 62.100 0.100 0.000 1.162 291 T CB -0.363 68.574 68.868 0.116 0.000 0.833 291 T HN 0.316 nan 8.240 nan 0.000 0.486 292 M N 0.649 120.228 119.600 -0.034 0.000 2.102 292 M HA -0.033 4.447 4.480 0.000 0.000 0.259 292 M C 2.315 178.525 176.300 -0.150 0.000 1.083 292 M CA 1.592 56.761 55.300 -0.218 0.000 1.141 292 M CB -0.600 31.583 32.600 -0.695 0.000 1.318 292 M HN 0.210 nan 8.290 nan 0.000 0.421 293 Q N 0.484 120.198 119.800 -0.143 0.000 2.308 293 Q HA -0.148 4.192 4.340 0.000 0.000 0.209 293 Q C 0.532 176.550 176.000 0.029 0.000 0.985 293 Q CA 0.943 56.691 55.803 -0.093 0.000 0.881 293 Q CB -0.166 28.439 28.738 -0.222 0.000 0.917 293 Q HN 0.534 nan 8.270 nan 0.000 0.443 294 E N 0.261 120.499 120.200 0.064 0.000 2.330 294 E HA 0.016 4.366 4.350 0.000 0.000 0.210 294 E C 0.675 177.294 176.600 0.031 0.000 1.256 294 E CA 0.199 56.645 56.400 0.077 0.000 1.346 294 E CB 0.111 29.869 29.700 0.096 0.000 1.308 294 E HN 0.300 nan 8.360 nan 0.000 0.441 295 R N -0.283 120.217 120.500 0.000 0.000 2.562 295 R HA 0.234 4.574 4.340 0.000 0.000 0.191 295 R C 1.469 177.757 176.300 -0.019 0.000 0.835 295 R CA 0.023 56.114 56.100 -0.014 0.000 1.036 295 R CB 0.243 30.520 30.300 -0.039 0.000 1.437 295 R HN 0.091 nan 8.270 nan 0.000 0.654 296 I N 0.822 121.373 120.570 -0.033 0.000 2.330 296 I HA 0.257 4.427 4.170 0.000 0.000 0.280 296 I C -0.605 175.495 176.117 -0.028 0.000 1.069 296 I CA 0.460 61.738 61.300 -0.037 0.000 1.873 296 I CB 0.144 38.105 38.000 -0.066 0.000 1.476 296 I HN -0.121 nan 8.210 nan 0.000 0.813 297 T N 2.147 116.692 114.554 -0.016 0.000 2.896 297 T HA 0.427 4.778 4.350 0.000 0.000 0.297 297 T C 0.430 175.121 174.700 -0.015 0.000 1.108 297 T CA -0.146 61.944 62.100 -0.016 0.000 1.004 297 T CB 1.884 70.747 68.868 -0.008 0.000 1.159 297 T HN 0.514 nan 8.240 nan 0.000 0.499 298 T N 1.698 116.240 114.554 -0.021 0.000 2.750 298 T HA 0.538 4.888 4.350 0.000 0.000 0.351 298 T C 0.106 174.790 174.700 -0.026 0.000 1.082 298 T CA -0.256 61.832 62.100 -0.020 0.000 1.022 298 T CB 0.389 69.242 68.868 -0.025 0.000 1.249 298 T HN 0.766 nan 8.240 nan 0.000 0.520 299 T N -1.208 113.328 114.554 -0.030 0.000 2.636 299 T HA 0.181 4.532 4.350 0.000 0.000 0.298 299 T C -0.934 173.744 174.700 -0.035 0.000 1.849 299 T CA -0.806 61.272 62.100 -0.036 0.000 0.963 299 T CB 0.614 69.466 68.868 -0.027 0.000 1.907 299 T HN 0.478 nan 8.240 nan 0.000 0.496 300 K N 0.885 121.263 120.400 -0.037 0.000 2.706 300 K HA 0.244 4.564 4.320 0.000 0.000 0.217 300 K C 0.909 177.491 176.600 -0.030 0.000 1.019 300 K CA 0.421 56.687 56.287 -0.034 0.000 1.181 300 K CB 0.077 32.557 32.500 -0.034 0.000 0.940 300 K HN 0.244 nan 8.250 nan 0.000 0.491 301 K N -0.886 119.496 120.400 -0.030 0.000 2.590 301 K HA 0.140 4.461 4.320 0.000 0.000 0.218 301 K C 0.292 176.874 176.600 -0.030 0.000 1.536 301 K CA -0.115 56.152 56.287 -0.032 0.000 1.013 301 K CB 1.897 34.375 32.500 -0.037 0.000 1.265 301 K HN 0.206 nan 8.250 nan 0.000 0.603 302 G N 0.527 109.313 108.800 -0.023 0.000 2.338 302 G HA2 0.254 4.214 3.960 0.000 0.000 0.295 302 G HA3 0.254 4.214 3.960 0.000 0.000 0.295 302 G C -1.794 173.104 174.900 -0.004 0.000 1.461 302 G CA -0.461 44.631 45.100 -0.013 0.000 0.817 302 G HN -0.108 nan 8.290 nan 0.000 0.556 303 S N -1.151 114.554 115.700 0.008 0.000 2.568 303 S HA 0.822 5.293 4.470 0.000 0.000 0.302 303 S C -0.597 174.021 174.600 0.030 0.000 1.082 303 S CA -0.780 57.427 58.200 0.012 0.000 1.009 303 S CB 1.136 64.344 63.200 0.014 0.000 1.069 303 S HN 0.610 nan 8.310 nan 0.000 0.500 304 I N 3.508 124.087 120.570 0.014 0.000 2.495 304 I HA 0.195 4.365 4.170 0.000 0.000 0.277 304 I C -0.067 176.032 176.117 -0.030 0.000 1.045 304 I CA -0.430 60.877 61.300 0.012 0.000 1.135 304 I CB 1.692 39.696 38.000 0.007 0.000 1.241 304 I HN 0.578 nan 8.210 nan 0.000 0.469 305 T N 2.560 117.089 114.554 -0.041 0.000 4.029 305 T HA 0.011 4.361 4.350 0.000 0.000 0.226 305 T C 0.858 175.452 174.700 -0.177 0.000 0.838 305 T CA 0.145 62.188 62.100 -0.096 0.000 0.907 305 T CB -0.452 68.352 68.868 -0.107 0.000 1.296 305 T HN 0.572 nan 8.240 nan 0.000 0.711 306 S N 1.189 116.789 115.700 -0.166 0.000 2.563 306 S HA 0.251 4.721 4.470 0.000 0.000 0.269 306 S C 0.014 174.403 174.600 -0.353 0.000 1.364 306 S CA -0.275 57.782 58.200 -0.238 0.000 1.010 306 S CB 0.338 63.437 63.200 -0.169 0.000 0.877 306 S HN 0.345 nan 8.310 nan 0.000 0.549 307 V N 3.843 123.484 119.914 -0.455 0.000 2.711 307 V HA 0.434 4.554 4.120 0.000 0.000 0.304 307 V C -0.455 175.408 176.094 -0.385 0.000 1.097 307 V CA -0.656 61.338 62.300 -0.510 0.000 0.906 307 V CB 1.765 33.064 31.823 -0.873 0.000 1.015 307 V HN 0.997 nan 8.190 nan 0.000 0.427 308 Q N 2.039 121.663 119.800 -0.293 0.000 2.892 308 Q HA 0.951 5.291 4.340 0.000 0.000 0.307 308 Q C -0.897 174.977 176.000 -0.210 0.000 1.039 308 Q CA -0.928 54.739 55.803 -0.226 0.000 0.792 308 Q CB 2.852 31.480 28.738 -0.183 0.000 1.504 308 Q HN 0.915 nan 8.270 nan 0.000 0.487 309 A N 0.748 123.468 122.820 -0.166 0.000 2.488 309 A HA 0.709 5.029 4.320 0.000 0.000 0.298 309 A C -1.681 175.829 177.584 -0.123 0.000 1.044 309 A CA -0.411 51.528 52.037 -0.162 0.000 0.693 309 A CB 0.861 19.810 19.000 -0.085 0.000 1.272 309 A HN 0.472 nan 8.150 nan 0.000 0.402 310 I N 2.288 122.749 120.570 -0.181 0.000 2.447 310 I HA 0.331 4.501 4.170 0.000 0.000 0.287 310 I C -0.401 175.585 176.117 -0.218 0.000 1.023 310 I CA -0.427 60.778 61.300 -0.159 0.000 1.083 310 I CB 1.447 39.518 38.000 0.119 0.000 1.245 310 I HN 0.666 nan 8.210 nan 0.000 0.434 311 Y N 6.221 126.028 120.300 -0.822 0.000 2.385 311 Y HA 0.377 4.927 4.550 0.000 0.000 0.346 311 Y C 0.236 175.837 175.900 -0.498 0.000 1.270 311 Y CA -0.212 57.511 58.100 -0.628 0.000 1.472 311 Y CB 0.909 39.042 38.460 -0.545 0.000 1.354 311 Y HN 0.309 nan 8.280 nan 0.000 0.611 312 V N 6.669 125.993 119.914 -0.985 0.000 2.271 312 V HA 0.243 4.363 4.120 0.000 0.000 0.259 312 V C -2.386 173.288 176.094 -0.700 0.000 1.030 312 V CA -1.868 60.053 62.300 -0.633 0.000 0.957 312 V CB 0.296 31.927 31.823 -0.320 0.000 1.186 312 V HN 0.687 nan 8.190 nan 0.000 0.471 313 P HA -0.018 nan 4.420 nan 0.000 0.261 313 P C 0.897 178.165 177.300 -0.054 0.000 1.165 313 P CA 1.327 64.363 63.100 -0.107 0.000 0.759 313 P CB 0.522 32.347 31.700 0.208 0.000 0.772 314 A N 4.068 126.892 122.820 0.006 0.000 2.799 314 A HA -0.281 4.039 4.320 0.000 0.000 0.274 314 A C 1.300 178.874 177.584 -0.016 0.000 1.393 314 A CA 1.315 53.364 52.037 0.021 0.000 0.909 314 A CB -2.404 16.620 19.000 0.039 0.000 1.012 314 A HN 0.668 nan 8.150 nan 0.000 0.653 315 D N -1.660 118.698 120.400 -0.071 0.000 3.041 315 D HA -0.147 4.493 4.640 0.000 0.000 0.220 315 D C -0.767 175.503 176.300 -0.051 0.000 1.157 315 D CA 1.595 55.558 54.000 -0.063 0.000 0.876 315 D CB -1.149 39.642 40.800 -0.015 0.000 1.107 315 D HN 0.746 nan 8.370 nan 0.000 0.422 316 D N 0.904 121.270 120.400 -0.057 0.000 2.454 316 D HA 0.202 4.842 4.640 0.000 0.000 0.225 316 D C 1.746 178.017 176.300 -0.047 0.000 1.081 316 D CA -0.524 53.453 54.000 -0.037 0.000 0.864 316 D CB 0.934 41.723 40.800 -0.019 0.000 1.040 316 D HN 0.221 nan 8.370 nan 0.000 0.517 317 L N 1.300 122.500 121.223 -0.037 0.000 2.187 317 L HA -0.181 4.160 4.340 0.000 0.000 0.213 317 L C 2.182 179.046 176.870 -0.011 0.000 1.100 317 L CA 1.169 55.993 54.840 -0.027 0.000 0.765 317 L CB -0.343 41.725 42.059 0.015 0.000 0.904 317 L HN 0.389 nan 8.230 nan 0.000 0.437 318 T N -3.680 110.863 114.554 -0.019 0.000 3.139 318 T HA -0.125 4.225 4.350 0.000 0.000 0.267 318 T C 0.501 175.180 174.700 -0.034 0.000 1.164 318 T CA 0.089 62.175 62.100 -0.024 0.000 1.075 318 T CB -0.561 68.291 68.868 -0.027 0.000 0.904 318 T HN 0.161 nan 8.240 nan 0.000 0.540 319 D N 2.595 122.979 120.400 -0.026 0.000 2.304 319 D HA 0.185 4.825 4.640 0.000 0.000 0.250 319 D C -1.578 174.709 176.300 -0.023 0.000 1.107 319 D CA -2.525 51.458 54.000 -0.028 0.000 0.885 319 D CB 1.400 42.228 40.800 0.047 0.000 1.192 319 D HN -0.016 nan 8.370 nan 0.000 0.436 320 P HA 0.022 nan 4.420 nan 0.000 0.269 320 P C -0.052 177.329 177.300 0.135 0.000 1.376 320 P CA 0.216 63.293 63.100 -0.039 0.000 0.775 320 P CB 0.250 31.844 31.700 -0.176 0.000 1.345 321 A N 0.795 123.752 122.820 0.228 0.000 1.944 321 A HA 0.210 4.531 4.320 0.000 0.000 0.209 321 A C -0.361 177.334 177.584 0.185 0.000 1.328 321 A CA 0.480 52.769 52.037 0.420 0.000 0.693 321 A CB -1.237 18.216 19.000 0.756 0.000 0.994 321 A HN 0.156 nan 8.150 nan 0.000 0.485 322 P HA 0.042 nan 4.420 nan 0.000 0.218 322 P C 1.691 178.588 177.300 -0.671 0.000 1.152 322 P CA 1.723 64.516 63.100 -0.512 0.000 0.826 322 P CB -0.026 31.273 31.700 -0.668 0.000 0.790 323 A N -0.067 122.647 122.820 -0.176 0.000 1.836 323 A HA -0.235 4.085 4.320 0.000 0.000 0.215 323 A C 2.239 179.958 177.584 0.226 0.000 1.214 323 A CA 2.970 55.138 52.037 0.219 0.000 0.636 323 A CB -2.078 17.014 19.000 0.154 0.000 0.847 323 A HN 0.141 nan 8.150 nan 0.000 0.451 324 T N 0.193 114.844 114.554 0.161 0.000 2.795 324 T HA -0.200 4.150 4.350 0.000 0.000 0.266 324 T C 1.789 176.646 174.700 0.262 0.000 1.056 324 T CA 2.114 64.330 62.100 0.193 0.000 1.141 324 T CB -0.763 68.210 68.868 0.175 0.000 0.840 324 T HN 0.663 nan 8.240 nan 0.000 0.493 325 T N 1.226 115.891 114.554 0.184 0.000 2.857 325 T HA 0.046 4.396 4.350 0.000 0.000 0.266 325 T C 1.501 176.390 174.700 0.315 0.000 1.048 325 T CA 0.549 62.779 62.100 0.216 0.000 1.139 325 T CB -0.486 68.458 68.868 0.128 0.000 0.874 325 T HN 0.281 nan 8.240 nan 0.000 0.455 326 F N 2.381 122.451 119.950 0.199 0.000 2.063 326 F HA -0.257 4.270 4.527 0.000 0.000 0.297 326 F C 2.587 178.489 175.800 0.171 0.000 1.099 326 F CA 1.232 59.347 58.000 0.191 0.000 1.220 326 F CB -1.051 37.973 39.000 0.041 0.000 0.972 326 F HN 0.166 nan 8.300 nan 0.000 0.487 327 A N -1.687 121.329 122.820 0.327 0.000 2.292 327 A HA -0.163 4.157 4.320 0.000 0.000 0.205 327 A C 1.483 179.036 177.584 -0.052 0.000 1.243 327 A CA 1.430 53.529 52.037 0.103 0.000 0.783 327 A CB -1.035 17.972 19.000 0.013 0.000 0.760 327 A HN 0.661 nan 8.150 nan 0.000 0.498 328 H N -1.524 117.622 119.070 0.127 0.000 3.205 328 H HA 0.164 4.720 4.556 0.000 0.000 0.252 328 H C 0.150 175.504 175.328 0.044 0.000 1.015 328 H CA -0.044 56.049 56.048 0.074 0.000 1.192 328 H CB 0.206 30.008 29.762 0.066 0.000 1.474 328 H HN 0.532 nan 8.280 nan 0.000 0.484 329 L N 1.218 122.554 121.223 0.190 0.000 2.315 329 L HA 0.286 4.626 4.340 0.000 0.000 0.283 329 L C 0.317 177.211 176.870 0.039 0.000 1.089 329 L CA -0.311 54.572 54.840 0.072 0.000 0.833 329 L CB 0.846 42.930 42.059 0.042 0.000 1.170 329 L HN -0.150 nan 8.230 nan 0.000 0.442 330 D N 4.366 124.747 120.400 -0.031 0.000 2.934 330 D HA 0.470 5.110 4.640 0.000 0.000 0.237 330 D C -0.092 176.158 176.300 -0.084 0.000 1.158 330 D CA 0.637 54.615 54.000 -0.038 0.000 0.971 330 D CB 0.226 40.993 40.800 -0.055 0.000 1.123 330 D HN 0.899 nan 8.370 nan 0.000 0.467 331 A N 0.521 123.318 122.820 -0.038 0.000 2.089 331 A HA 0.254 4.574 4.320 0.000 0.000 0.272 331 A C -0.525 177.067 177.584 0.014 0.000 0.835 331 A CA -0.817 51.206 52.037 -0.023 0.000 0.618 331 A CB -0.164 18.703 19.000 -0.221 0.000 1.006 331 A HN 0.117 nan 8.150 nan 0.000 0.335 332 T N 1.677 116.300 114.554 0.115 0.000 2.908 332 T HA 0.895 5.245 4.350 0.000 0.000 0.290 332 T C -0.069 174.726 174.700 0.158 0.000 1.034 332 T CA 0.096 62.306 62.100 0.183 0.000 1.010 332 T CB 1.835 70.916 68.868 0.354 0.000 1.068 332 T HN 1.848 nan 8.240 nan 0.000 0.481 333 T N -1.359 113.280 114.554 0.141 0.000 3.588 333 T HA 0.231 4.582 4.350 0.000 0.000 0.253 333 T C -0.464 174.325 174.700 0.149 0.000 0.887 333 T CA -0.571 61.601 62.100 0.120 0.000 1.582 333 T CB -0.739 68.167 68.868 0.064 0.000 0.810 333 T HN 0.355 nan 8.240 nan 0.000 0.598 334 V N 3.445 123.524 119.914 0.275 0.000 2.364 334 V HA 0.218 4.338 4.120 0.000 0.000 0.252 334 V C 0.541 176.721 176.094 0.143 0.000 1.075 334 V CA -0.349 62.128 62.300 0.294 0.000 1.033 334 V CB -0.826 31.205 31.823 0.346 0.000 1.116 334 V HN 0.681 nan 8.190 nan 0.000 0.488 335 L N 4.282 125.561 121.223 0.093 0.000 2.410 335 L HA 0.234 4.574 4.340 0.000 0.000 0.273 335 L C 0.840 177.715 176.870 0.008 0.000 1.144 335 L CA 0.807 55.654 54.840 0.012 0.000 0.863 335 L CB 0.577 42.625 42.059 -0.019 0.000 1.140 335 L HN 0.595 nan 8.230 nan 0.000 0.463 336 S N 3.082 118.770 115.700 -0.020 0.000 2.513 336 S HA 0.258 4.728 4.470 0.000 0.000 0.276 336 S C 1.197 175.791 174.600 -0.010 0.000 1.254 336 S CA -0.597 57.600 58.200 -0.005 0.000 1.053 336 S CB 0.824 64.025 63.200 0.001 0.000 0.958 336 S HN 0.759 nan 8.310 nan 0.000 0.491 337 R N 3.775 124.286 120.500 0.017 0.000 2.092 337 R HA -0.009 4.331 4.340 0.000 0.000 0.231 337 R C 2.116 178.437 176.300 0.035 0.000 1.119 337 R CA 1.491 57.614 56.100 0.038 0.000 0.970 337 R CB -0.692 29.634 30.300 0.043 0.000 0.864 337 R HN 0.799 nan 8.270 nan 0.000 0.440 338 A N 0.752 123.586 122.820 0.023 0.000 2.178 338 A HA -0.089 4.231 4.320 0.000 0.000 0.218 338 A C 1.912 179.511 177.584 0.025 0.000 1.157 338 A CA 0.840 52.890 52.037 0.022 0.000 0.689 338 A CB -0.283 18.725 19.000 0.014 0.000 0.787 338 A HN 0.295 nan 8.150 nan 0.000 0.465 339 I N -0.850 119.728 120.570 0.014 0.000 2.429 339 I HA -0.070 4.100 4.170 0.000 0.000 0.247 339 I C 2.886 179.023 176.117 0.033 0.000 1.099 339 I CA 1.163 62.466 61.300 0.005 0.000 1.422 339 I CB -1.327 36.645 38.000 -0.047 0.000 1.112 339 I HN 0.349 nan 8.210 nan 0.000 0.430 340 A N 1.323 124.169 122.820 0.044 0.000 1.958 340 A HA -0.245 4.075 4.320 0.000 0.000 0.221 340 A C 2.041 179.729 177.584 0.174 0.000 1.178 340 A CA 1.902 54.058 52.037 0.198 0.000 0.642 340 A CB -0.582 18.555 19.000 0.229 0.000 0.816 340 A HN 0.537 nan 8.150 nan 0.000 0.453 341 E N 0.522 120.784 120.200 0.103 0.000 2.058 341 E HA -0.208 4.142 4.350 0.000 0.000 0.194 341 E C 1.867 178.523 176.600 0.094 0.000 0.997 341 E CA 1.457 57.904 56.400 0.078 0.000 0.801 341 E CB -0.769 28.962 29.700 0.051 0.000 0.746 341 E HN 0.745 nan 8.360 nan 0.000 0.450 342 L N -0.039 121.248 121.223 0.107 0.000 2.549 342 L HA 0.074 4.415 4.340 0.000 0.000 0.229 342 L C 1.907 178.920 176.870 0.237 0.000 1.158 342 L CA 0.614 55.538 54.840 0.140 0.000 0.842 342 L CB -0.765 41.367 42.059 0.122 0.000 0.952 342 L HN 0.325 nan 8.230 nan 0.000 0.452 343 G N 0.202 109.146 108.800 0.241 0.000 2.396 343 G HA2 -0.302 3.658 3.960 0.000 0.000 0.242 343 G HA3 -0.302 3.658 3.960 0.000 0.000 0.242 343 G C 0.487 175.589 174.900 0.338 0.000 1.069 343 G CA 0.050 45.345 45.100 0.324 0.000 0.633 343 G HN 0.184 nan 8.290 nan 0.000 0.517 344 I N 1.472 122.159 120.570 0.195 0.000 3.417 344 I HA 0.009 4.180 4.170 0.000 0.000 0.317 344 I C 0.098 176.206 176.117 -0.015 0.000 1.257 344 I CA 0.666 61.998 61.300 0.053 0.000 1.379 344 I CB -1.951 36.060 38.000 0.019 0.000 1.419 344 I HN 0.234 nan 8.210 nan 0.000 0.507 345 Y N 7.313 127.567 120.300 -0.076 0.000 2.442 345 Y HA 0.416 4.966 4.550 0.000 0.000 0.344 345 Y C -1.981 173.823 175.900 -0.161 0.000 0.976 345 Y CA -2.078 55.966 58.100 -0.094 0.000 1.040 345 Y CB 2.466 40.859 38.460 -0.112 0.000 1.228 345 Y HN 0.396 nan 8.280 nan 0.000 0.451 346 P HA 0.006 nan 4.420 nan 0.000 0.269 346 P C -0.307 176.829 177.300 -0.273 0.000 1.217 346 P CA 0.060 63.150 63.100 -0.017 0.000 0.783 346 P CB 0.911 32.716 31.700 0.175 0.000 0.898 347 A N 2.385 124.879 122.820 -0.544 0.000 2.281 347 A HA 0.130 4.450 4.320 0.000 0.000 0.231 347 A C 0.634 178.132 177.584 -0.144 0.000 1.317 347 A CA -0.168 51.614 52.037 -0.425 0.000 0.959 347 A CB -1.207 17.476 19.000 -0.529 0.000 0.900 347 A HN 0.372 nan 8.150 nan 0.000 0.497 348 V N 1.476 121.354 119.914 -0.060 0.000 2.458 348 V HA -0.011 4.109 4.120 0.000 0.000 0.287 348 V C 0.147 176.259 176.094 0.029 0.000 1.009 348 V CA -0.002 62.311 62.300 0.021 0.000 1.091 348 V CB 0.174 32.035 31.823 0.062 0.000 0.960 348 V HN 0.431 nan 8.190 nan 0.000 0.476 349 D N 7.530 127.959 120.400 0.049 0.000 2.302 349 D HA 0.263 4.903 4.640 0.000 0.000 0.248 349 D C -1.573 174.765 176.300 0.063 0.000 1.094 349 D CA -1.785 52.246 54.000 0.052 0.000 0.897 349 D CB 1.498 42.330 40.800 0.053 0.000 1.200 349 D HN 0.337 nan 8.370 nan 0.000 0.429 350 P HA 0.007 nan 4.420 nan 0.000 0.286 350 P C 0.087 177.414 177.300 0.045 0.000 1.577 350 P CA 0.375 63.509 63.100 0.057 0.000 0.805 350 P CB 0.290 32.031 31.700 0.068 0.000 1.706 351 L N -0.028 121.222 121.223 0.045 0.000 1.589 351 L HA 0.137 4.477 4.340 0.000 0.000 0.161 351 L C -0.250 176.637 176.870 0.028 0.000 1.300 351 L CA 0.648 55.505 54.840 0.027 0.000 1.196 351 L CB -0.235 41.834 42.059 0.017 0.000 2.497 351 L HN -0.214 nan 8.230 nan 0.000 0.492 352 D N 0.079 120.507 120.400 0.047 0.000 2.676 352 D HA 0.203 4.843 4.640 0.000 0.000 0.239 352 D C -0.250 176.141 176.300 0.153 0.000 1.213 352 D CA 0.256 54.295 54.000 0.064 0.000 0.835 352 D CB 0.082 40.927 40.800 0.076 0.000 1.009 352 D HN 0.101 nan 8.370 nan 0.000 0.479 353 S N 0.053 115.829 115.700 0.127 0.000 2.112 353 S HA 0.239 4.710 4.470 0.000 0.000 0.151 353 S C 0.381 175.060 174.600 0.130 0.000 1.723 353 S CA -0.787 57.509 58.200 0.160 0.000 1.263 353 S CB 0.582 63.867 63.200 0.142 0.000 1.194 353 S HN 0.490 nan 8.310 nan 0.000 0.419 354 T N -0.286 114.345 114.554 0.129 0.000 2.885 354 T HA 0.704 5.054 4.350 0.000 0.000 0.356 354 T C 0.419 175.183 174.700 0.107 0.000 1.137 354 T CA -0.324 61.834 62.100 0.096 0.000 1.014 354 T CB 0.990 69.899 68.868 0.069 0.000 1.410 354 T HN 0.424 nan 8.240 nan 0.000 0.532 355 S N -1.878 113.872 115.700 0.084 0.000 2.633 355 S HA 0.383 4.853 4.470 0.000 0.000 0.271 355 S C -1.068 173.565 174.600 0.054 0.000 1.112 355 S CA -0.907 57.340 58.200 0.078 0.000 0.828 355 S CB 0.906 64.163 63.200 0.095 0.000 1.086 355 S HN 0.775 nan 8.310 nan 0.000 0.461 356 R N 1.267 121.793 120.500 0.043 0.000 2.662 356 R HA 0.446 4.786 4.340 0.000 0.000 0.396 356 R C -0.070 176.243 176.300 0.022 0.000 1.096 356 R CA 0.106 56.223 56.100 0.027 0.000 1.081 356 R CB 0.387 30.699 30.300 0.020 0.000 1.382 356 R HN 0.465 nan 8.270 nan 0.000 0.580 357 I N -0.273 120.316 120.570 0.032 0.000 3.251 357 I HA 0.170 4.340 4.170 0.000 0.000 0.319 357 I C -0.133 176.000 176.117 0.027 0.000 1.488 357 I CA 0.166 61.482 61.300 0.026 0.000 0.899 357 I CB 0.887 38.911 38.000 0.040 0.000 1.621 357 I HN 0.054 nan 8.210 nan 0.000 0.629 358 M N 0.797 120.408 119.600 0.018 0.000 2.756 358 M HA 0.359 4.839 4.480 0.000 0.000 0.320 358 M C -0.802 175.464 176.300 -0.056 0.000 1.245 358 M CA -0.058 55.245 55.300 0.005 0.000 0.972 358 M CB -0.280 32.344 32.600 0.040 0.000 1.327 358 M HN 0.123 nan 8.290 nan 0.000 0.505 359 D N 1.457 121.793 120.400 -0.105 0.000 2.225 359 D HA 0.214 4.855 4.640 0.000 0.000 0.249 359 D C -1.500 174.587 176.300 -0.355 0.000 1.052 359 D CA -1.371 52.490 54.000 -0.233 0.000 0.909 359 D CB 1.212 41.918 40.800 -0.157 0.000 1.186 359 D HN 0.138 nan 8.370 nan 0.000 0.431 360 P HA -0.178 nan 4.420 nan 0.000 0.223 360 P C -0.011 177.135 177.300 -0.256 0.000 1.140 360 P CA 1.082 63.833 63.100 -0.581 0.000 0.783 360 P CB 0.300 31.524 31.700 -0.793 0.000 0.759 361 N N -0.147 118.435 118.700 -0.197 0.000 2.376 361 N HA -0.030 4.710 4.740 0.000 0.000 0.177 361 N C 1.763 177.233 175.510 -0.067 0.000 1.024 361 N CA 0.859 53.844 53.050 -0.107 0.000 0.893 361 N CB -0.330 38.104 38.487 -0.089 0.000 0.980 361 N HN 0.284 nan 8.380 nan 0.000 0.439 362 I N -2.305 118.225 120.570 -0.066 0.000 3.812 362 I HA 0.198 4.368 4.170 0.000 0.000 0.292 362 I C 1.686 177.809 176.117 0.011 0.000 1.206 362 I CA 0.495 61.783 61.300 -0.021 0.000 1.370 362 I CB -0.922 37.071 38.000 -0.011 0.000 1.328 362 I HN 0.006 nan 8.210 nan 0.000 0.453 363 V N 0.415 120.326 119.914 -0.005 0.000 2.825 363 V HA 0.688 4.808 4.120 0.000 0.000 0.246 363 V C 1.003 177.173 176.094 0.126 0.000 1.068 363 V CA 0.664 63.014 62.300 0.083 0.000 1.088 363 V CB -0.765 31.064 31.823 0.011 0.000 0.733 363 V HN 0.781 nan 8.190 nan 0.000 0.468 364 G N -0.386 108.394 108.800 -0.034 0.000 2.627 364 G HA2 0.059 4.019 3.960 0.000 0.000 0.680 364 G HA3 0.059 4.019 3.960 0.000 0.000 0.680 364 G C -0.064 174.829 174.900 -0.013 0.000 1.341 364 G CA -0.062 45.045 45.100 0.012 0.000 0.835 364 G HN 0.320 nan 8.290 nan 0.000 0.643 365 S N 0.322 116.039 115.700 0.028 0.000 2.345 365 S HA -0.070 4.401 4.470 0.000 0.000 0.219 365 S C 1.954 176.751 174.600 0.329 0.000 1.031 365 S CA 1.629 59.943 58.200 0.191 0.000 0.984 365 S CB -0.190 63.070 63.200 0.101 0.000 0.874 365 S HN 0.831 nan 8.310 nan 0.000 0.451 366 E N 1.540 121.848 120.200 0.179 0.000 2.012 366 E HA -0.294 4.056 4.350 0.000 0.000 0.197 366 E C 2.113 178.808 176.600 0.158 0.000 1.007 366 E CA 1.401 57.883 56.400 0.136 0.000 0.816 366 E CB -0.500 29.267 29.700 0.111 0.000 0.762 366 E HN 0.774 nan 8.360 nan 0.000 0.451 367 H N -0.563 118.562 119.070 0.093 0.000 2.319 367 H HA -0.229 4.327 4.556 0.000 0.000 0.297 367 H C 2.341 177.725 175.328 0.094 0.000 1.097 367 H CA 1.915 58.004 56.048 0.068 0.000 1.285 367 H CB -0.416 29.387 29.762 0.069 0.000 1.368 367 H HN 0.420 nan 8.280 nan 0.000 0.495 368 Y N 1.258 121.353 120.300 -0.342 0.000 2.352 368 Y HA -0.055 4.495 4.550 0.000 0.000 0.292 368 Y C 1.950 177.760 175.900 -0.151 0.000 1.136 368 Y CA 1.264 59.156 58.100 -0.346 0.000 1.227 368 Y CB -0.765 37.521 38.460 -0.291 0.000 0.991 368 Y HN 0.266 nan 8.280 nan 0.000 0.545 369 D N 0.826 121.040 120.400 -0.310 0.000 2.084 369 D HA -0.180 4.460 4.640 0.000 0.000 0.196 369 D C 2.220 178.377 176.300 -0.238 0.000 0.985 369 D CA 2.427 56.182 54.000 -0.408 0.000 0.826 369 D CB -0.263 40.422 40.800 -0.191 0.000 0.978 369 D HN 0.271 nan 8.370 nan 0.000 0.456 370 V N -0.934 118.901 119.914 -0.131 0.000 2.490 370 V HA -0.067 4.054 4.120 0.000 0.000 0.250 370 V C 2.364 178.347 176.094 -0.185 0.000 1.061 370 V CA 1.589 63.797 62.300 -0.153 0.000 1.064 370 V CB -1.357 30.377 31.823 -0.149 0.000 0.670 370 V HN 0.239 nan 8.190 nan 0.000 0.461 371 A N 1.048 123.794 122.820 -0.123 0.000 1.858 371 A HA -0.135 4.185 4.320 0.000 0.000 0.216 371 A C 2.415 179.920 177.584 -0.133 0.000 1.190 371 A CA 1.841 53.821 52.037 -0.095 0.000 0.617 371 A CB -0.567 18.415 19.000 -0.030 0.000 0.827 371 A HN 0.482 nan 8.150 nan 0.000 0.443 372 R N -0.670 119.718 120.500 -0.187 0.000 2.083 372 R HA -0.142 4.198 4.340 0.000 0.000 0.237 372 R C 2.337 178.546 176.300 -0.152 0.000 1.137 372 R CA 1.514 57.504 56.100 -0.184 0.000 0.951 372 R CB -1.427 28.701 30.300 -0.287 0.000 0.851 372 R HN 0.541 nan 8.270 nan 0.000 0.434 373 G N 0.321 109.020 108.800 -0.168 0.000 2.443 373 G HA2 -0.137 3.824 3.960 0.000 0.000 0.219 373 G HA3 -0.137 3.824 3.960 0.000 0.000 0.219 373 G C 1.585 176.398 174.900 -0.146 0.000 1.131 373 G CA 0.419 45.433 45.100 -0.143 0.000 0.775 373 G HN 0.145 nan 8.290 nan 0.000 0.547 374 V N 0.435 120.245 119.914 -0.174 0.000 2.270 374 V HA -0.200 3.920 4.120 0.000 0.000 0.245 374 V C 2.904 178.928 176.094 -0.116 0.000 1.043 374 V CA 2.192 64.380 62.300 -0.188 0.000 1.014 374 V CB -0.451 31.230 31.823 -0.238 0.000 0.645 374 V HN 0.429 nan 8.190 nan 0.000 0.447 375 Q N -0.295 119.455 119.800 -0.084 0.000 2.167 375 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 375 Q C 2.263 178.243 176.000 -0.032 0.000 0.970 375 Q CA 1.462 57.241 55.803 -0.040 0.000 0.855 375 Q CB -0.207 28.512 28.738 -0.031 0.000 0.911 375 Q HN 0.590 nan 8.270 nan 0.000 0.438 376 K N 1.469 121.835 120.400 -0.055 0.000 1.978 376 K HA -0.191 4.129 4.320 0.000 0.000 0.214 376 K C 2.043 178.628 176.600 -0.024 0.000 1.049 376 K CA 1.377 57.638 56.287 -0.044 0.000 0.939 376 K CB -0.288 32.174 32.500 -0.063 0.000 0.721 376 K HN 0.208 nan 8.250 nan 0.000 0.441 377 I N 1.141 121.682 120.570 -0.048 0.000 2.264 377 I HA -0.286 3.884 4.170 0.000 0.000 0.248 377 I C 2.113 178.233 176.117 0.005 0.000 1.111 377 I CA 1.140 62.414 61.300 -0.043 0.000 1.382 377 I CB 0.036 37.974 38.000 -0.102 0.000 1.060 377 I HN 0.328 nan 8.210 nan 0.000 0.418 378 L N 0.108 121.329 121.223 -0.003 0.000 2.083 378 L HA -0.236 4.104 4.340 0.000 0.000 0.209 378 L C 2.669 179.653 176.870 0.191 0.000 1.083 378 L CA 1.076 55.986 54.840 0.117 0.000 0.752 378 L CB -0.511 41.588 42.059 0.066 0.000 0.899 378 L HN 0.348 nan 8.230 nan 0.000 0.433 379 Q N 0.242 120.096 119.800 0.089 0.000 1.965 379 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 379 Q C 1.774 177.815 176.000 0.068 0.000 0.981 379 Q CA 1.989 57.829 55.803 0.062 0.000 0.834 379 Q CB -0.426 28.326 28.738 0.024 0.000 0.900 379 Q HN 0.646 nan 8.270 nan 0.000 0.426 380 D N -0.622 119.816 120.400 0.063 0.000 2.311 380 D HA -0.204 4.436 4.640 0.000 0.000 0.212 380 D C 1.744 178.104 176.300 0.100 0.000 0.972 380 D CA 0.755 54.789 54.000 0.058 0.000 0.887 380 D CB -0.472 40.354 40.800 0.042 0.000 0.915 380 D HN 0.279 nan 8.370 nan 0.000 0.497 381 Y N 2.356 122.649 120.300 -0.011 0.000 2.184 381 Y HA -0.120 4.431 4.550 0.000 0.000 0.290 381 Y C 2.082 177.980 175.900 -0.004 0.000 1.129 381 Y CA 1.243 59.339 58.100 -0.007 0.000 1.144 381 Y CB -0.035 38.420 38.460 -0.009 0.000 0.995 381 Y HN -0.284 nan 8.280 nan 0.000 0.513 382 K N 0.105 120.479 120.400 -0.044 0.000 2.152 382 K HA -0.110 4.210 4.320 0.000 0.000 0.206 382 K C 2.201 178.734 176.600 -0.111 0.000 1.048 382 K CA 1.413 57.620 56.287 -0.133 0.000 0.933 382 K CB -0.600 31.879 32.500 -0.034 0.000 0.721 382 K HN 0.323 nan 8.250 nan 0.000 0.447 383 S N 1.669 117.337 115.700 -0.053 0.000 2.336 383 S HA -0.097 4.373 4.470 0.000 0.000 0.216 383 S C 2.075 176.645 174.600 -0.050 0.000 1.032 383 S CA 1.135 59.310 58.200 -0.041 0.000 0.973 383 S CB -0.413 62.778 63.200 -0.014 0.000 0.888 383 S HN 0.361 nan 8.310 nan 0.000 0.455 384 L N 1.860 123.062 121.223 -0.035 0.000 2.043 384 L HA -0.129 4.211 4.340 0.000 0.000 0.212 384 L C 2.247 179.080 176.870 -0.062 0.000 1.075 384 L CA 2.019 56.844 54.840 -0.024 0.000 0.752 384 L CB -1.328 40.745 42.059 0.024 0.000 0.891 384 L HN 0.242 nan 8.230 nan 0.000 0.432 385 Q N -0.961 118.750 119.800 -0.147 0.000 2.325 385 Q HA -0.286 4.054 4.340 0.000 0.000 0.211 385 Q C 1.183 177.120 176.000 -0.106 0.000 0.988 385 Q CA 2.251 57.943 55.803 -0.184 0.000 0.887 385 Q CB 0.002 28.526 28.738 -0.357 0.000 0.915 385 Q HN 0.818 nan 8.270 nan 0.000 0.440 386 D N -1.398 118.952 120.400 -0.083 0.000 3.195 386 D HA 0.142 4.782 4.640 0.000 0.000 0.245 386 D C 0.233 176.511 176.300 -0.036 0.000 1.462 386 D CA -0.237 53.730 54.000 -0.054 0.000 1.259 386 D CB 0.265 41.032 40.800 -0.054 0.000 1.199 386 D HN 0.006 nan 8.370 nan 0.000 0.345 387 I N 2.673 123.222 120.570 -0.034 0.000 2.932 387 I HA -0.037 4.133 4.170 0.000 0.000 0.295 387 I C 2.013 178.120 176.117 -0.015 0.000 1.227 387 I CA 0.608 61.895 61.300 -0.022 0.000 1.429 387 I CB 0.209 38.198 38.000 -0.020 0.000 1.339 387 I HN 0.450 nan 8.210 nan 0.000 0.589 388 I N 2.451 123.015 120.570 -0.010 0.000 4.781 388 I HA -0.455 3.715 4.170 0.000 0.000 0.042 388 I C 1.866 177.981 176.117 -0.004 0.000 0.631 388 I CA 1.836 63.133 61.300 -0.005 0.000 0.598 388 I CB -1.343 36.657 38.000 -0.001 0.000 0.578 388 I HN 0.663 nan 8.210 nan 0.000 0.154 389 A N 0.641 123.459 122.820 -0.004 0.000 1.968 389 A HA 0.228 4.549 4.320 0.000 0.000 0.217 389 A C 1.097 178.678 177.584 -0.005 0.000 1.169 389 A CA 1.400 53.436 52.037 -0.001 0.000 0.638 389 A CB -0.284 18.717 19.000 0.003 0.000 0.812 389 A HN 0.623 nan 8.150 nan 0.000 0.446 390 I N -1.400 119.163 120.570 -0.011 0.000 7.450 390 I HA -0.315 3.855 4.170 0.000 0.000 0.126 390 I C 0.833 176.942 176.117 -0.014 0.000 1.839 390 I CA 0.097 61.389 61.300 -0.013 0.000 2.040 390 I CB -1.687 36.308 38.000 -0.009 0.000 3.653 390 I HN 0.518 nan 8.210 nan 0.000 0.170 391 L N 1.566 122.775 121.223 -0.022 0.000 3.542 391 L HA -0.287 4.053 4.340 0.000 0.000 0.053 391 L C 1.457 178.319 176.870 -0.013 0.000 4.355 391 L CA 1.847 56.674 54.840 -0.022 0.000 0.629 391 L CB -1.583 40.466 42.059 -0.016 0.000 3.504 391 L HN 0.836 nan 8.230 nan 0.000 0.781 392 G N 1.258 110.056 108.800 -0.005 0.000 2.202 392 G HA2 0.279 4.239 3.960 0.000 0.000 0.251 392 G HA3 0.279 4.239 3.960 0.000 0.000 0.251 392 G C 0.500 175.405 174.900 0.008 0.000 1.219 392 G CA 0.382 45.484 45.100 0.003 0.000 0.943 392 G HN 0.455 nan 8.290 nan 0.000 0.465 393 M N 2.384 121.994 119.600 0.016 0.000 1.902 393 M HA 0.335 4.815 4.480 0.000 0.000 0.137 393 M C 1.180 177.495 176.300 0.025 0.000 0.935 393 M CA 0.680 55.996 55.300 0.027 0.000 1.119 393 M CB -0.427 32.199 32.600 0.043 0.000 0.776 393 M HN 0.499 nan 8.290 nan 0.000 0.554 394 D N -0.802 119.617 120.400 0.032 0.000 4.134 394 D HA -0.299 4.341 4.640 0.000 0.000 0.141 394 D C 0.601 176.915 176.300 0.023 0.000 0.779 394 D CA 2.488 56.504 54.000 0.028 0.000 1.126 394 D CB -0.688 40.126 40.800 0.023 0.000 0.523 394 D HN 0.956 nan 8.370 nan 0.000 0.513 395 E N -1.718 118.492 120.200 0.018 0.000 3.247 395 E HA -0.259 4.091 4.350 0.000 0.000 0.424 395 E C 0.356 176.965 176.600 0.015 0.000 1.544 395 E CA 1.994 58.403 56.400 0.015 0.000 1.208 395 E CB -1.142 28.566 29.700 0.014 0.000 1.473 395 E HN 0.541 nan 8.360 nan 0.000 0.472 396 L N -1.256 119.976 121.223 0.016 0.000 2.461 396 L HA 0.329 4.669 4.340 0.000 0.000 0.242 396 L C -0.138 176.743 176.870 0.018 0.000 1.143 396 L CA -0.100 54.749 54.840 0.015 0.000 0.984 396 L CB 1.597 43.663 42.059 0.012 0.000 1.573 396 L HN 0.575 nan 8.230 nan 0.000 0.404 397 S N 1.096 116.806 115.700 0.016 0.000 3.477 397 S HA -0.128 4.342 4.470 0.000 0.000 0.426 397 S C 0.943 175.557 174.600 0.022 0.000 0.874 397 S CA 0.574 58.784 58.200 0.017 0.000 1.341 397 S CB -0.611 62.599 63.200 0.017 0.000 0.917 397 S HN 0.699 nan 8.310 nan 0.000 0.607 398 E N 1.538 121.751 120.200 0.021 0.000 2.396 398 E HA -0.173 4.177 4.350 0.000 0.000 0.200 398 E C 1.589 178.204 176.600 0.024 0.000 1.023 398 E CA 1.475 57.890 56.400 0.024 0.000 0.857 398 E CB 0.005 29.717 29.700 0.021 0.000 0.775 398 E HN 0.883 nan 8.360 nan 0.000 0.525 399 E N 0.608 120.820 120.200 0.020 0.000 2.085 399 E HA -0.167 4.183 4.350 0.000 0.000 0.194 399 E C 1.600 178.214 176.600 0.023 0.000 0.994 399 E CA 1.204 57.614 56.400 0.016 0.000 0.801 399 E CB 0.048 29.756 29.700 0.013 0.000 0.743 399 E HN 0.110 nan 8.360 nan 0.000 0.453 400 D N -0.410 120.010 120.400 0.032 0.000 2.327 400 D HA -0.007 4.634 4.640 0.000 0.000 0.205 400 D C 1.502 177.841 176.300 0.064 0.000 0.989 400 D CA 0.415 54.446 54.000 0.051 0.000 0.873 400 D CB 0.148 40.981 40.800 0.055 0.000 0.955 400 D HN -0.004 nan 8.370 nan 0.000 0.515 401 K N 0.580 121.010 120.400 0.050 0.000 2.288 401 K HA -0.031 4.289 4.320 0.000 0.000 0.201 401 K C 2.121 178.751 176.600 0.050 0.000 1.048 401 K CA 0.249 56.569 56.287 0.054 0.000 0.956 401 K CB 0.096 32.622 32.500 0.044 0.000 0.746 401 K HN 0.092 nan 8.250 nan 0.000 0.461 402 L N 0.369 121.613 121.223 0.036 0.000 2.056 402 L HA -0.143 4.197 4.340 0.000 0.000 0.207 402 L C 1.798 178.669 176.870 0.002 0.000 1.078 402 L CA 1.641 56.495 54.840 0.022 0.000 0.749 402 L CB -0.473 41.594 42.059 0.014 0.000 0.901 402 L HN 0.082 nan 8.230 nan 0.000 0.433 403 T N -0.425 114.133 114.554 0.007 0.000 2.759 403 T HA -0.160 4.190 4.350 0.000 0.000 0.269 403 T C 1.831 176.504 174.700 -0.046 0.000 1.042 403 T CA 1.607 63.685 62.100 -0.037 0.000 1.140 403 T CB -0.431 68.475 68.868 0.063 0.000 0.864 403 T HN 0.265 nan 8.240 nan 0.000 0.455 404 V N 2.040 122.006 119.914 0.085 0.000 3.078 404 V HA -0.112 4.008 4.120 0.000 0.000 0.265 404 V C 2.500 178.632 176.094 0.063 0.000 1.122 404 V CA 1.654 64.041 62.300 0.144 0.000 1.141 404 V CB -0.883 31.024 31.823 0.140 0.000 0.735 404 V HN 0.660 nan 8.190 nan 0.000 0.498 405 S N -0.728 114.981 115.700 0.014 0.000 2.591 405 S HA 0.080 4.550 4.470 0.000 0.000 0.235 405 S C 1.990 176.554 174.600 -0.060 0.000 1.074 405 S CA -0.394 57.813 58.200 0.011 0.000 0.925 405 S CB -0.011 63.218 63.200 0.048 0.000 0.818 405 S HN 0.367 nan 8.310 nan 0.000 0.535 406 R N 2.774 123.217 120.500 -0.094 0.000 2.107 406 R HA 0.246 4.586 4.340 0.000 0.000 0.223 406 R C 2.766 178.911 176.300 -0.257 0.000 1.138 406 R CA 1.681 57.691 56.100 -0.150 0.000 0.900 406 R CB -1.757 28.469 30.300 -0.122 0.000 0.814 406 R HN 0.514 nan 8.270 nan 0.000 0.437 407 A N 2.241 124.828 122.820 -0.389 0.000 1.927 407 A HA -0.228 4.093 4.320 0.000 0.000 0.220 407 A C 2.351 179.626 177.584 -0.515 0.000 1.185 407 A CA 1.754 53.411 52.037 -0.632 0.000 0.639 407 A CB -0.445 17.725 19.000 -1.384 0.000 0.820 407 A HN 0.232 nan 8.150 nan 0.000 0.451 408 R N -0.390 119.888 120.500 -0.370 0.000 2.070 408 R HA -0.111 4.229 4.340 0.000 0.000 0.232 408 R C 2.196 178.432 176.300 -0.106 0.000 1.138 408 R CA 1.645 57.699 56.100 -0.078 0.000 0.936 408 R CB -0.540 29.792 30.300 0.054 0.000 0.839 408 R HN 0.556 nan 8.270 nan 0.000 0.429 409 K N 0.520 120.807 120.400 -0.188 0.000 2.103 409 K HA -0.106 4.214 4.320 0.000 0.000 0.207 409 K C 2.224 178.451 176.600 -0.621 0.000 1.048 409 K CA 1.148 57.219 56.287 -0.359 0.000 0.930 409 K CB -0.217 32.010 32.500 -0.454 0.000 0.716 409 K HN 0.193 nan 8.250 nan 0.000 0.444 410 I N 1.034 121.340 120.570 -0.439 0.000 2.163 410 I HA -0.351 3.820 4.170 0.000 0.000 0.243 410 I C 2.809 178.897 176.117 -0.048 0.000 1.085 410 I CA 1.387 62.594 61.300 -0.156 0.000 1.347 410 I CB -0.351 37.648 38.000 -0.002 0.000 1.044 410 I HN 0.309 nan 8.210 nan 0.000 0.408 411 Q N 0.675 120.441 119.800 -0.057 0.000 2.112 411 Q HA -0.248 4.092 4.340 0.000 0.000 0.206 411 Q C 2.420 178.405 176.000 -0.025 0.000 0.987 411 Q CA 1.639 57.446 55.803 0.008 0.000 0.858 411 Q CB 0.090 28.864 28.738 0.060 0.000 0.905 411 Q HN 0.340 nan 8.270 nan 0.000 0.420 412 R N -0.117 120.344 120.500 -0.064 0.000 2.070 412 R HA -0.121 4.219 4.340 0.000 0.000 0.233 412 R C 2.135 178.384 176.300 -0.085 0.000 1.137 412 R CA 1.154 57.195 56.100 -0.099 0.000 0.945 412 R CB -1.326 28.940 30.300 -0.056 0.000 0.845 412 R HN 0.307 nan 8.270 nan 0.000 0.430 413 F N 1.258 120.905 119.950 -0.506 0.000 2.192 413 F HA -0.110 4.417 4.527 0.000 0.000 0.301 413 F C 2.218 177.808 175.800 -0.351 0.000 1.079 413 F CA 0.736 58.352 58.000 -0.640 0.000 1.303 413 F CB -0.737 37.522 39.000 -1.235 0.000 1.024 413 F HN -0.059 nan 8.300 nan 0.000 0.494 414 L N -1.404 119.830 121.223 0.019 0.000 2.509 414 L HA 0.037 4.377 4.340 0.000 0.000 0.222 414 L C 1.138 178.010 176.870 0.003 0.000 1.123 414 L CA 0.246 55.120 54.840 0.058 0.000 0.856 414 L CB -0.408 41.726 42.059 0.126 0.000 0.985 414 L HN -0.180 nan 8.230 nan 0.000 0.456 415 S N 1.025 116.691 115.700 -0.057 0.000 3.811 415 S HA 0.017 4.487 4.470 0.000 0.000 0.205 415 S C 0.465 174.999 174.600 -0.110 0.000 1.445 415 S CA -0.105 58.041 58.200 -0.091 0.000 1.097 415 S CB -0.568 62.530 63.200 -0.170 0.000 1.350 415 S HN 0.283 nan 8.310 nan 0.000 0.471 416 Q N 2.187 121.949 119.800 -0.064 0.000 2.276 416 Q HA 0.082 4.422 4.340 0.000 0.000 0.267 416 Q C -1.901 173.981 176.000 -0.197 0.000 1.135 416 Q CA -1.743 54.026 55.803 -0.057 0.000 0.910 416 Q CB 0.672 29.450 28.738 0.066 0.000 1.271 416 Q HN 0.202 nan 8.270 nan 0.000 0.417 417 P HA -0.145 nan 4.420 nan 0.000 0.217 417 P C -0.417 176.560 177.300 -0.538 0.000 1.150 417 P CA 0.590 63.493 63.100 -0.328 0.000 0.832 417 P CB -0.301 31.343 31.700 -0.093 0.000 0.787 418 F N -2.417 117.559 119.950 0.044 0.000 1.381 418 F HA -0.296 4.231 4.527 0.000 0.000 0.071 418 F C 1.481 177.307 175.800 0.044 0.000 0.137 418 F CA 0.134 58.156 58.000 0.037 0.000 0.292 418 F CB -1.670 37.354 39.000 0.040 0.000 0.753 418 F HN 0.033 nan 8.300 nan 0.000 0.663 419 Q N 0.652 120.683 119.800 0.384 0.000 2.062 419 Q HA -0.178 4.162 4.340 0.000 0.000 0.209 419 Q C 1.707 177.847 176.000 0.233 0.000 0.996 419 Q CA 3.230 59.163 55.803 0.217 0.000 0.859 419 Q CB -0.367 28.431 28.738 0.101 0.000 0.920 419 Q HN 0.642 nan 8.270 nan 0.000 0.415 420 V N 0.728 120.840 119.914 0.329 0.000 2.794 420 V HA -0.259 3.861 4.120 0.000 0.000 0.260 420 V C 1.785 178.001 176.094 0.203 0.000 1.103 420 V CA 1.598 64.052 62.300 0.257 0.000 1.125 420 V CB -0.866 31.124 31.823 0.277 0.000 0.702 420 V HN 0.497 nan 8.190 nan 0.000 0.494 421 A N -1.254 121.694 122.820 0.215 0.000 2.415 421 A HA 0.143 4.463 4.320 0.000 0.000 0.248 421 A C 1.863 179.434 177.584 -0.021 0.000 1.299 421 A CA 0.034 52.122 52.037 0.085 0.000 0.899 421 A CB -0.348 18.721 19.000 0.115 0.000 0.997 421 A HN 0.516 nan 8.150 nan 0.000 0.506 422 E N -0.076 120.112 120.200 -0.019 0.000 2.219 422 E HA -0.176 4.174 4.350 0.000 0.000 0.198 422 E C 1.729 178.255 176.600 -0.123 0.000 0.998 422 E CA 1.625 58.006 56.400 -0.032 0.000 0.818 422 E CB -0.129 29.565 29.700 -0.011 0.000 0.741 422 E HN 0.659 nan 8.360 nan 0.000 0.477 423 V N -2.127 117.602 119.914 -0.307 0.000 3.510 423 V HA -0.063 4.057 4.120 0.000 0.000 0.270 423 V C 1.245 177.082 176.094 -0.429 0.000 1.201 423 V CA 0.930 62.989 62.300 -0.402 0.000 1.166 423 V CB -0.565 30.960 31.823 -0.498 0.000 0.825 423 V HN 0.087 nan 8.190 nan 0.000 0.484 424 F N 1.302 121.241 119.950 -0.019 0.000 2.602 424 F HA 0.319 4.847 4.527 0.000 0.000 0.284 424 F C 1.724 177.493 175.800 -0.051 0.000 1.111 424 F CA 0.893 58.870 58.000 -0.039 0.000 1.405 424 F CB -0.083 38.880 39.000 -0.062 0.000 1.121 424 F HN 0.272 nan 8.300 nan 0.000 0.603 425 T N -2.712 111.901 114.554 0.099 0.000 3.622 425 T HA 0.272 4.622 4.350 0.000 0.000 0.312 425 T C 0.989 175.687 174.700 -0.003 0.000 0.888 425 T CA -0.096 62.006 62.100 0.003 0.000 0.957 425 T CB -0.013 68.795 68.868 -0.101 0.000 1.200 425 T HN 0.258 nan 8.240 nan 0.000 0.633 426 G N 2.361 111.180 108.800 0.032 0.000 2.395 426 G HA2 -0.277 3.683 3.960 0.000 0.000 0.292 426 G HA3 -0.277 3.683 3.960 0.000 0.000 0.292 426 G C -0.190 174.787 174.900 0.129 0.000 0.953 426 G CA 0.435 45.568 45.100 0.054 0.000 1.207 426 G HN 0.820 nan 8.290 nan 0.000 0.503 427 H N -0.219 118.867 119.070 0.027 0.000 2.496 427 H HA 0.367 4.923 4.556 0.000 0.000 0.342 427 H C 1.103 176.444 175.328 0.022 0.000 1.170 427 H CA -1.398 54.665 56.048 0.025 0.000 1.274 427 H CB 0.547 30.325 29.762 0.028 0.000 1.538 427 H HN 0.133 nan 8.280 nan 0.000 0.542 428 M N 2.534 122.116 119.600 -0.030 0.000 2.861 428 M HA -0.061 4.419 4.480 0.000 0.000 0.347 428 M C 0.642 176.921 176.300 -0.036 0.000 1.791 428 M CA 0.273 55.533 55.300 -0.066 0.000 1.332 428 M CB -0.962 31.549 32.600 -0.149 0.000 2.040 428 M HN 0.701 nan 8.290 nan 0.000 0.463 429 G N 5.448 114.267 108.800 0.032 0.000 2.764 429 G HA2 0.014 3.974 3.960 0.000 0.000 0.278 429 G HA3 0.014 3.974 3.960 0.000 0.000 0.278 429 G C 0.614 175.553 174.900 0.065 0.000 0.686 429 G CA -0.451 44.699 45.100 0.083 0.000 2.105 429 G HN 0.490 nan 8.290 nan 0.000 0.562 430 K N 0.999 121.415 120.400 0.027 0.000 2.414 430 K HA 0.400 4.720 4.320 0.000 0.000 0.272 430 K C 0.598 177.229 176.600 0.051 0.000 0.993 430 K CA 0.167 56.457 56.287 0.005 0.000 0.964 430 K CB 1.318 33.790 32.500 -0.047 0.000 0.925 430 K HN 0.381 nan 8.250 nan 0.000 0.487 431 L N -0.681 120.553 121.223 0.018 0.000 3.221 431 L HA 0.216 4.556 4.340 0.000 0.000 0.225 431 L C -0.783 176.081 176.870 -0.009 0.000 1.129 431 L CA -1.127 53.726 54.840 0.021 0.000 1.498 431 L CB 0.436 42.511 42.059 0.026 0.000 1.612 431 L HN 0.260 nan 8.230 nan 0.000 0.492 432 V N 1.341 121.248 119.914 -0.011 0.000 3.242 432 V HA -0.079 4.041 4.120 0.000 0.000 0.467 432 V C -2.469 173.612 176.094 -0.022 0.000 0.682 432 V CA -0.708 61.581 62.300 -0.018 0.000 2.006 432 V CB -0.638 31.171 31.823 -0.024 0.000 2.468 432 V HN 0.610 nan 8.190 nan 0.000 0.497 433 P HA 0.311 nan 4.420 nan 0.000 0.263 433 P C 1.219 178.506 177.300 -0.022 0.000 1.276 433 P CA 0.574 63.661 63.100 -0.023 0.000 0.986 433 P CB 0.654 32.346 31.700 -0.014 0.000 1.105 434 L N 0.230 121.435 121.223 -0.031 0.000 3.566 434 L HA -0.506 3.834 4.340 0.000 0.000 0.053 434 L C 2.083 178.942 176.870 -0.018 0.000 4.298 434 L CA 2.359 57.180 54.840 -0.031 0.000 0.730 434 L CB -2.015 40.023 42.059 -0.034 0.000 3.468 434 L HN 0.409 nan 8.230 nan 0.000 0.746 435 K N -0.972 119.422 120.400 -0.011 0.000 5.335 435 K HA -0.338 3.982 4.320 0.000 0.000 0.272 435 K C 0.618 177.218 176.600 -0.000 0.000 0.665 435 K CA 2.505 58.789 56.287 -0.005 0.000 0.885 435 K CB -0.910 31.585 32.500 -0.009 0.000 0.784 435 K HN 0.546 nan 8.250 nan 0.000 0.859 436 E N 1.103 121.300 120.200 -0.006 0.000 2.349 436 E HA 0.086 4.436 4.350 0.000 0.000 0.201 436 E C 0.925 177.528 176.600 0.004 0.000 1.087 436 E CA 0.865 57.264 56.400 -0.000 0.000 1.128 436 E CB 0.490 30.184 29.700 -0.010 0.000 1.188 436 E HN 0.606 nan 8.360 nan 0.000 0.445 437 T N -2.204 112.358 114.554 0.013 0.000 3.023 437 T HA 0.090 4.440 4.350 0.000 0.000 0.266 437 T C 1.354 176.104 174.700 0.084 0.000 1.093 437 T CA 0.106 62.232 62.100 0.044 0.000 1.129 437 T CB 0.250 69.133 68.868 0.025 0.000 0.899 437 T HN 0.086 nan 8.240 nan 0.000 0.491 438 I N 1.623 122.230 120.570 0.062 0.000 2.938 438 I HA 0.085 4.255 4.170 0.000 0.000 0.285 438 I C 1.516 177.688 176.117 0.091 0.000 1.182 438 I CA -0.222 61.124 61.300 0.076 0.000 1.388 438 I CB 0.554 38.588 38.000 0.057 0.000 1.390 438 I HN 0.179 nan 8.210 nan 0.000 0.600 439 K N 2.883 123.347 120.400 0.107 0.000 10.883 439 K HA -0.281 4.039 4.320 0.000 0.000 0.526 439 K C 1.328 178.026 176.600 0.163 0.000 0.382 439 K CA 1.963 58.325 56.287 0.126 0.000 1.943 439 K CB -1.975 30.590 32.500 0.109 0.000 0.766 439 K HN 0.968 nan 8.250 nan 0.000 1.214 440 G N 1.281 110.161 108.800 0.132 0.000 2.839 440 G HA2 -0.341 3.619 3.960 0.000 0.000 0.221 440 G HA3 -0.341 3.619 3.960 0.000 0.000 0.221 440 G C 1.427 176.501 174.900 0.290 0.000 1.271 440 G CA 1.776 46.951 45.100 0.125 0.000 0.789 440 G HN 0.400 nan 8.290 nan 0.000 0.659 441 F N 2.065 122.117 119.950 0.169 0.000 2.171 441 F HA -0.022 4.505 4.527 0.000 0.000 0.300 441 F C 3.105 178.964 175.800 0.099 0.000 1.090 441 F CA 1.536 59.661 58.000 0.207 0.000 1.293 441 F CB -0.765 38.337 39.000 0.170 0.000 1.013 441 F HN 0.332 nan 8.300 nan 0.000 0.486 442 Q N -0.535 119.432 119.800 0.278 0.000 2.112 442 Q HA -0.258 4.082 4.340 0.000 0.000 0.206 442 Q C 2.129 178.217 176.000 0.147 0.000 0.987 442 Q CA 1.589 57.474 55.803 0.136 0.000 0.858 442 Q CB -0.343 28.463 28.738 0.113 0.000 0.905 442 Q HN 0.418 nan 8.270 nan 0.000 0.420 443 Q N 0.436 120.361 119.800 0.208 0.000 2.029 443 Q HA -0.205 4.135 4.340 0.000 0.000 0.209 443 Q C 2.262 178.377 176.000 0.191 0.000 0.999 443 Q CA 1.228 57.163 55.803 0.220 0.000 0.857 443 Q CB -0.552 28.378 28.738 0.320 0.000 0.926 443 Q HN 0.392 nan 8.270 nan 0.000 0.415 444 I N 0.996 121.692 120.570 0.210 0.000 2.109 444 I HA -0.341 3.829 4.170 0.000 0.000 0.233 444 I C 2.637 178.787 176.117 0.055 0.000 1.005 444 I CA 1.509 62.881 61.300 0.121 0.000 1.294 444 I CB -1.709 36.320 38.000 0.048 0.000 1.005 444 I HN 0.205 nan 8.210 nan 0.000 0.392 445 L N 0.422 121.650 121.223 0.010 0.000 2.051 445 L HA -0.251 4.089 4.340 0.000 0.000 0.214 445 L C 2.674 179.540 176.870 -0.007 0.000 1.076 445 L CA 1.741 56.560 54.840 -0.036 0.000 0.758 445 L CB -0.650 41.356 42.059 -0.088 0.000 0.890 445 L HN 0.351 nan 8.230 nan 0.000 0.433 446 A N -1.303 121.530 122.820 0.022 0.000 2.014 446 A HA 0.161 4.481 4.320 0.000 0.000 0.218 446 A C 1.920 179.528 177.584 0.040 0.000 1.163 446 A CA 1.364 53.418 52.037 0.028 0.000 0.652 446 A CB -0.283 18.742 19.000 0.040 0.000 0.808 446 A HN 0.575 nan 8.150 nan 0.000 0.449 447 G N -0.977 107.862 108.800 0.065 0.000 2.255 447 G HA2 -0.149 3.811 3.960 0.000 0.000 0.196 447 G HA3 -0.149 3.811 3.960 0.000 0.000 0.196 447 G C -0.530 174.442 174.900 0.120 0.000 0.998 447 G CA 0.048 45.196 45.100 0.079 0.000 0.656 447 G HN 0.436 nan 8.290 nan 0.000 0.490 448 D N -0.090 120.390 120.400 0.133 0.000 2.425 448 D HA 0.465 5.105 4.640 0.000 0.000 0.247 448 D C 0.935 177.422 176.300 0.312 0.000 1.147 448 D CA 0.458 54.557 54.000 0.166 0.000 0.879 448 D CB 0.472 41.367 40.800 0.159 0.000 1.179 448 D HN 0.276 nan 8.370 nan 0.000 0.456 449 Y N -0.501 119.911 120.300 0.187 0.000 2.884 449 Y HA -0.358 4.192 4.550 0.000 0.000 0.483 449 Y C 0.658 176.752 175.900 0.323 0.000 1.209 449 Y CA 1.711 59.963 58.100 0.252 0.000 2.681 449 Y CB -1.108 37.475 38.460 0.206 0.000 0.894 449 Y HN 0.614 nan 8.280 nan 0.000 0.529 450 D N 1.152 121.815 120.400 0.438 0.000 2.487 450 D HA 0.048 4.689 4.640 0.000 0.000 0.243 450 D C 1.007 177.553 176.300 0.411 0.000 1.154 450 D CA 1.738 55.926 54.000 0.313 0.000 0.876 450 D CB 0.227 41.135 40.800 0.180 0.000 1.161 450 D HN 0.835 nan 8.370 nan 0.000 0.478 451 H N 1.191 120.353 119.070 0.154 0.000 1.797 451 H HA -0.089 4.467 4.556 0.000 0.000 0.115 451 H C -0.378 175.022 175.328 0.120 0.000 0.927 451 H CA -0.465 55.651 56.048 0.114 0.000 0.413 451 H CB -1.127 28.688 29.762 0.088 0.000 0.315 451 H HN 0.249 nan 8.280 nan 0.000 0.209 452 L N 5.098 126.135 121.223 -0.310 0.000 2.559 452 L HA 0.180 4.520 4.340 0.000 0.000 0.274 452 L C -1.605 175.275 176.870 0.016 0.000 1.205 452 L CA -0.425 54.314 54.840 -0.168 0.000 0.907 452 L CB -0.153 41.816 42.059 -0.150 0.000 1.153 452 L HN 0.037 nan 8.230 nan 0.000 0.490 453 P HA -0.219 nan 4.420 nan 0.000 0.037 453 P C 0.480 177.830 177.300 0.083 0.000 0.634 453 P CA 0.700 63.836 63.100 0.060 0.000 1.000 453 P CB -0.364 31.363 31.700 0.044 0.000 1.802 454 E N -0.191 120.069 120.200 0.100 0.000 3.521 454 E HA -0.391 3.959 4.350 0.000 0.000 0.476 454 E C 1.326 178.022 176.600 0.160 0.000 1.646 454 E CA 1.891 58.363 56.400 0.119 0.000 1.182 454 E CB -1.324 28.432 29.700 0.094 0.000 1.215 454 E HN 0.449 nan 8.360 nan 0.000 0.404 455 Q N 0.056 119.935 119.800 0.131 0.000 2.515 455 Q HA -0.095 4.246 4.340 0.000 0.000 0.215 455 Q C 1.982 178.095 176.000 0.187 0.000 0.983 455 Q CA 0.890 56.785 55.803 0.154 0.000 0.905 455 Q CB -0.103 28.660 28.738 0.041 0.000 0.961 455 Q HN 0.482 nan 8.270 nan 0.000 0.503 456 A N 0.132 123.044 122.820 0.153 0.000 2.125 456 A HA -0.112 4.208 4.320 0.000 0.000 0.219 456 A C 0.696 178.385 177.584 0.174 0.000 1.156 456 A CA 0.654 52.760 52.037 0.114 0.000 0.671 456 A CB 0.007 19.038 19.000 0.051 0.000 0.794 456 A HN 0.262 nan 8.150 nan 0.000 0.459 457 F N -0.678 119.338 119.950 0.110 0.000 2.531 457 F HA 0.461 4.988 4.527 0.000 0.000 0.333 457 F C 0.057 175.964 175.800 0.178 0.000 1.292 457 F CA -2.092 55.976 58.000 0.113 0.000 1.184 457 F CB 0.247 39.331 39.000 0.140 0.000 1.426 457 F HN 0.266 nan 8.300 nan 0.000 0.559 458 Y N 3.082 123.556 120.300 0.291 0.000 2.583 458 Y HA 0.231 4.781 4.550 0.000 0.000 0.270 458 Y C 1.563 177.544 175.900 0.134 0.000 1.113 458 Y CA 0.760 58.960 58.100 0.166 0.000 1.307 458 Y CB 0.202 38.739 38.460 0.129 0.000 1.369 458 Y HN 0.151 nan 8.280 nan 0.000 0.506 459 M N 2.332 122.017 119.600 0.141 0.000 3.607 459 M HA 0.537 5.018 4.480 0.000 0.000 0.206 459 M C -1.319 174.951 176.300 -0.050 0.000 1.314 459 M CA -0.222 55.079 55.300 0.002 0.000 1.526 459 M CB -0.619 32.170 32.600 0.316 0.000 1.101 459 M HN 0.015 nan 8.290 nan 0.000 0.539 460 V N -3.529 116.363 119.914 -0.036 0.000 3.106 460 V HA 0.678 4.798 4.120 0.000 0.000 0.280 460 V C 0.056 176.082 176.094 -0.114 0.000 1.525 460 V CA -0.400 61.883 62.300 -0.028 0.000 0.999 460 V CB 0.840 32.706 31.823 0.073 0.000 1.186 460 V HN 0.373 nan 8.190 nan 0.000 0.448 461 G N 0.556 109.206 108.800 -0.250 0.000 2.692 461 G HA2 0.333 4.293 3.960 0.000 0.000 0.209 461 G HA3 0.333 4.293 3.960 0.000 0.000 0.209 461 G C -2.155 172.195 174.900 -0.917 0.000 1.166 461 G CA -0.410 44.338 45.100 -0.587 0.000 0.844 461 G HN 0.632 nan 8.290 nan 0.000 0.596 462 P HA 0.059 nan 4.420 nan 0.000 0.257 462 P C 1.017 178.166 177.300 -0.252 0.000 1.189 462 P CA 0.063 62.939 63.100 -0.373 0.000 0.780 462 P CB 0.676 32.258 31.700 -0.197 0.000 0.772 463 I N 3.487 123.818 120.570 -0.398 0.000 2.290 463 I HA -0.393 3.777 4.170 0.000 0.000 0.253 463 I C 1.409 177.367 176.117 -0.266 0.000 1.112 463 I CA 1.809 63.014 61.300 -0.158 0.000 1.377 463 I CB 0.137 37.993 38.000 -0.240 0.000 1.060 463 I HN 0.356 nan 8.210 nan 0.000 0.428 464 E N 0.807 120.865 120.200 -0.236 0.000 2.147 464 E HA -0.287 4.063 4.350 0.000 0.000 0.199 464 E C 1.893 178.354 176.600 -0.233 0.000 1.005 464 E CA 1.796 58.079 56.400 -0.195 0.000 0.810 464 E CB -0.309 29.322 29.700 -0.117 0.000 0.736 464 E HN 0.633 nan 8.360 nan 0.000 0.460 465 E N 0.395 120.425 120.200 -0.284 0.000 2.338 465 E HA -0.090 4.260 4.350 0.000 0.000 0.197 465 E C 2.011 178.224 176.600 -0.644 0.000 1.007 465 E CA 0.542 56.722 56.400 -0.367 0.000 0.849 465 E CB -0.122 29.415 29.700 -0.272 0.000 0.774 465 E HN 0.322 nan 8.360 nan 0.000 0.506 466 A N 1.191 123.422 122.820 -0.982 0.000 1.873 466 A HA -0.186 4.134 4.320 0.000 0.000 0.218 466 A C 2.492 179.829 177.584 -0.412 0.000 1.193 466 A CA 1.534 52.971 52.037 -0.999 0.000 0.629 466 A CB -0.693 17.905 19.000 -0.670 0.000 0.826 466 A HN 0.148 nan 8.150 nan 0.000 0.447 467 V N -0.542 119.240 119.914 -0.220 0.000 2.591 467 V HA -0.068 4.052 4.120 0.000 0.000 0.249 467 V C 2.763 178.793 176.094 -0.107 0.000 1.053 467 V CA 1.443 63.694 62.300 -0.081 0.000 1.068 467 V CB -0.982 30.863 31.823 0.038 0.000 0.689 467 V HN 0.592 nan 8.190 nan 0.000 0.462 468 A N -0.851 121.878 122.820 -0.152 0.000 2.239 468 A HA -0.066 4.254 4.320 0.000 0.000 0.209 468 A C 2.190 179.693 177.584 -0.135 0.000 1.171 468 A CA 1.212 53.174 52.037 -0.125 0.000 0.768 468 A CB -0.189 18.734 19.000 -0.128 0.000 0.790 468 A HN 0.340 nan 8.150 nan 0.000 0.478 469 K N -1.122 119.170 120.400 -0.180 0.000 2.424 469 K HA 0.292 4.612 4.320 0.000 0.000 0.198 469 K C 1.871 178.409 176.600 -0.103 0.000 1.190 469 K CA 0.870 57.067 56.287 -0.149 0.000 0.935 469 K CB -0.100 32.267 32.500 -0.221 0.000 1.087 469 K HN 0.256 nan 8.250 nan 0.000 0.524 470 A N 2.252 125.004 122.820 -0.113 0.000 2.032 470 A HA -0.234 4.087 4.320 0.000 0.000 0.221 470 A C 1.482 179.044 177.584 -0.037 0.000 1.165 470 A CA 2.392 54.390 52.037 -0.065 0.000 0.645 470 A CB -0.657 18.311 19.000 -0.054 0.000 0.807 470 A HN 0.617 nan 8.150 nan 0.000 0.453 471 D N -0.889 119.487 120.400 -0.040 0.000 2.162 471 D HA -0.093 4.547 4.640 0.000 0.000 0.203 471 D C 1.772 178.061 176.300 -0.019 0.000 0.967 471 D CA 1.254 55.239 54.000 -0.025 0.000 0.840 471 D CB -0.193 40.592 40.800 -0.025 0.000 0.972 471 D HN 0.296 nan 8.370 nan 0.000 0.482 472 K N -0.654 119.731 120.400 -0.025 0.000 2.009 472 K HA 0.053 4.373 4.320 0.000 0.000 0.210 472 K C -0.149 176.449 176.600 -0.003 0.000 1.049 472 K CA 0.880 57.160 56.287 -0.012 0.000 0.929 472 K CB -0.114 32.378 32.500 -0.013 0.000 0.714 472 K HN 0.108 nan 8.250 nan 0.000 0.440 473 L N 0.095 121.314 121.223 -0.006 0.000 2.353 473 L HA 0.447 4.787 4.340 0.000 0.000 0.270 473 L C -0.546 176.324 176.870 0.001 0.000 1.003 473 L CA -0.370 54.471 54.840 0.003 0.000 0.862 473 L CB 1.210 43.275 42.059 0.011 0.000 1.221 473 L HN 0.100 nan 8.230 nan 0.000 0.430 474 A N 2.846 125.669 122.820 0.006 0.000 2.326 474 A HA 1.023 5.343 4.320 0.000 0.000 0.303 474 A C -0.848 176.748 177.584 0.020 0.000 1.164 474 A CA -0.327 51.716 52.037 0.009 0.000 0.929 474 A CB 0.946 19.950 19.000 0.007 0.000 1.363 474 A HN 0.639 nan 8.150 nan 0.000 0.498 475 E N -0.533 119.683 120.200 0.027 0.000 2.683 475 E HA 0.594 4.944 4.350 0.000 0.000 0.339 475 E C -1.031 175.597 176.600 0.046 0.000 0.921 475 E CA -0.397 56.026 56.400 0.038 0.000 0.786 475 E CB 0.366 30.089 29.700 0.037 0.000 1.363 475 E HN 0.634 nan 8.360 nan 0.000 0.401 476 E N 0.937 121.174 120.200 0.061 0.000 2.343 476 E HA 0.553 4.903 4.350 0.000 0.000 0.275 476 E C -1.852 174.826 176.600 0.131 0.000 1.225 476 E CA -0.430 56.015 56.400 0.075 0.000 0.947 476 E CB 0.636 30.363 29.700 0.045 0.000 1.273 476 E HN 0.637 nan 8.360 nan 0.000 0.405 477 H N 0.000 119.078 119.070 0.013 0.000 2.539 477 H HA 0.000 4.556 4.556 0.000 0.000 0.296 477 H CA 0.000 56.054 56.048 0.010 0.000 1.023 477 H CB 0.000 29.767 29.762 0.009 0.000 1.292 477 H HN 0.000 nan 8.280 nan 0.000 0.496