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 3ehk_1_B DATA FIRST_RESID 10 DATA SEQUENCE NQcQLNQLQA REPDNRIQAE AGQIETWNFN QGDFQcAGVA ASRITIQRNG DATA SEQUENCE LHLPSYSNAP QLIYIVQGRG VLGAVFSGcP ETFEESQXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLDR HQKTRRIREG DVVAIPAGVA YWSYNDGDQE LVAVNLFHVS DATA SEQUENCE SDHNQLDQNP RKFYLAGNPE NEFNQQGQXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXGN NVFSGFNTQL LAQALNVNEE TARNLQGQND NRNQIIQVRG DATA SEQUENCE NLDFVQPPRX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXL EETFcSLRLK DATA SEQUENCE ENIGNPERAD IFSPRAGRIS TLNSHNLPIL RFLRLSAERG FFYRNGIYSP DATA SEQUENCE HWNVNAHSVV YVIRGNARVQ VVNENGDAIL DQEVQQGQLF IVPQNHGVIQ DATA SEQUENCE QAGNQGFEYF AFKTEENAFI NTLAGRTSFL RALPDEVLAN AYQISREQAR DATA SEQUENCE QLKYNRQETI ALSS 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.528 175.510 0.030 0.000 1.280 10 N CA 0.000 53.064 53.050 0.023 0.000 0.885 10 N CB 0.000 38.500 38.487 0.022 0.000 1.341 11 Q N 0.218 120.038 119.800 0.034 0.000 2.096 11 Q HA -0.292 4.048 4.340 -0.000 0.000 0.218 11 Q C 0.993 177.015 176.000 0.038 0.000 1.069 11 Q CA 3.011 58.837 55.803 0.038 0.000 0.927 11 Q CB -0.784 27.982 28.738 0.045 0.000 1.064 11 Q HN 0.626 nan 8.270 nan 0.000 0.445 12 c N 0.572 119.203 118.600 0.051 0.000 2.625 12 c HA 0.099 4.669 4.570 -0.000 0.000 0.285 12 c C 1.122 175.254 174.090 0.070 0.000 1.279 12 c CA -0.414 55.951 56.329 0.059 0.000 1.698 12 c CB -0.601 41.968 42.510 0.098 0.000 1.821 12 c HN 0.384 nan 8.230 nan 0.000 0.600 13 Q N 1.600 121.432 119.800 0.053 0.000 2.307 13 Q HA 0.088 4.428 4.340 -0.000 0.000 0.216 13 Q C 0.380 176.406 176.000 0.044 0.000 0.931 13 Q CA 0.121 55.953 55.803 0.048 0.000 0.953 13 Q CB -0.143 28.613 28.738 0.030 0.000 1.006 13 Q HN 0.791 nan 8.270 nan 0.000 0.472 14 L N -2.194 119.057 121.223 0.047 0.000 2.525 14 L HA 0.039 4.379 4.340 -0.000 0.000 0.278 14 L C 0.747 177.642 176.870 0.041 0.000 1.218 14 L CA -0.037 54.825 54.840 0.037 0.000 0.878 14 L CB 0.323 42.398 42.059 0.027 0.000 1.127 14 L HN -0.180 nan 8.230 nan 0.000 0.492 15 N N 0.590 119.308 118.700 0.030 0.000 2.245 15 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 15 N C -0.186 175.338 175.510 0.024 0.000 1.036 15 N CA 0.961 54.026 53.050 0.025 0.000 0.857 15 N CB 0.211 38.708 38.487 0.017 0.000 1.015 15 N HN 0.764 nan 8.380 nan 0.000 0.436 16 Q N 0.296 120.109 119.800 0.022 0.000 2.365 16 Q HA 0.481 4.821 4.340 -0.000 0.000 0.269 16 Q C -0.891 175.124 176.000 0.027 0.000 1.061 16 Q CA -0.443 55.372 55.803 0.020 0.000 0.816 16 Q CB 2.748 31.496 28.738 0.017 0.000 1.325 16 Q HN 0.105 nan 8.270 nan 0.000 0.446 17 L N 1.382 122.619 121.223 0.023 0.000 2.323 17 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 17 L C -0.499 176.390 176.870 0.033 0.000 1.012 17 L CA -0.754 54.107 54.840 0.034 0.000 0.820 17 L CB 2.367 44.443 42.059 0.029 0.000 1.334 17 L HN 0.701 nan 8.230 nan 0.000 0.427 18 Q N 1.578 121.414 119.800 0.060 0.000 2.503 18 Q HA 0.579 4.919 4.340 -0.000 0.000 0.268 18 Q C -2.168 173.898 176.000 0.111 0.000 0.982 18 Q CA -0.750 55.087 55.803 0.057 0.000 0.907 18 Q CB 2.190 30.962 28.738 0.057 0.000 1.467 18 Q HN 0.699 nan 8.270 nan 0.000 0.394 19 A N 3.006 125.883 122.820 0.094 0.000 2.328 19 A HA 0.777 5.097 4.320 -0.000 0.000 0.284 19 A C -0.718 176.988 177.584 0.202 0.000 1.160 19 A CA -0.399 51.743 52.037 0.176 0.000 0.818 19 A CB 0.424 19.496 19.000 0.120 0.000 1.087 19 A HN 0.752 nan 8.150 nan 0.000 0.504 20 R N 1.314 121.999 120.500 0.309 0.000 2.855 20 R HA 0.573 4.912 4.340 -0.000 0.000 0.266 20 R C -0.597 176.046 176.300 0.571 0.000 1.034 20 R CA -0.911 55.403 56.100 0.358 0.000 0.944 20 R CB 0.926 31.430 30.300 0.340 0.000 1.219 20 R HN 0.695 nan 8.270 nan 0.000 0.474 21 E N 0.900 121.346 120.200 0.411 0.000 2.359 21 E HA 0.297 4.647 4.350 -0.000 0.000 0.255 21 E C -2.108 174.539 176.600 0.079 0.000 1.191 21 E CA -1.715 54.892 56.400 0.345 0.000 0.952 21 E CB 0.052 29.836 29.700 0.141 0.000 1.152 21 E HN 0.238 nan 8.360 nan 0.000 0.496 22 P HA 0.007 nan 4.420 nan 0.000 0.274 22 P C 0.033 177.036 177.300 -0.495 0.000 1.264 22 P CA 0.155 62.475 63.100 -1.299 0.000 0.795 22 P CB 0.469 31.473 31.700 -1.160 0.000 1.064 23 D N -1.815 118.355 120.400 -0.384 0.000 2.473 23 D HA 0.125 4.765 4.640 -0.000 0.000 0.230 23 D C 0.346 176.558 176.300 -0.147 0.000 1.097 23 D CA 0.536 54.434 54.000 -0.169 0.000 0.861 23 D CB 0.391 41.134 40.800 -0.095 0.000 1.114 23 D HN 0.288 nan 8.370 nan 0.000 0.500 24 N N 0.873 119.467 118.700 -0.177 0.000 3.223 24 N HA 0.545 5.285 4.740 -0.000 0.000 0.350 24 N C -0.223 175.202 175.510 -0.143 0.000 1.425 24 N CA -0.303 52.666 53.050 -0.133 0.000 0.668 24 N CB 1.716 40.136 38.487 -0.111 0.000 1.435 24 N HN -0.093 nan 8.380 nan 0.000 0.569 25 R N -0.010 120.415 120.500 -0.125 0.000 5.088 25 R HA 0.227 4.567 4.340 -0.000 0.000 0.249 25 R C -2.137 174.101 176.300 -0.102 0.000 0.938 25 R CA -0.326 55.704 56.100 -0.117 0.000 1.284 25 R CB -0.372 29.867 30.300 -0.102 0.000 1.230 25 R HN 0.605 nan 8.270 nan 0.000 0.675 26 I N 0.662 121.170 120.570 -0.103 0.000 2.644 26 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 26 I C -0.957 175.105 176.117 -0.092 0.000 1.180 26 I CA -1.008 60.234 61.300 -0.097 0.000 1.040 26 I CB 2.413 40.347 38.000 -0.110 0.000 1.255 26 I HN 0.441 nan 8.210 nan 0.000 0.422 27 Q N 4.135 123.888 119.800 -0.079 0.000 2.260 27 Q HA 0.834 5.174 4.340 -0.000 0.000 0.242 27 Q C -0.469 175.485 176.000 -0.077 0.000 0.932 27 Q CA -0.553 55.208 55.803 -0.071 0.000 0.891 27 Q CB 2.174 30.878 28.738 -0.057 0.000 1.222 27 Q HN 0.924 nan 8.270 nan 0.000 0.453 28 A N 0.592 123.369 122.820 -0.072 0.000 2.594 28 A HA 0.328 4.648 4.320 -0.000 0.000 0.295 28 A C 0.631 178.182 177.584 -0.055 0.000 1.071 28 A CA -0.300 51.693 52.037 -0.073 0.000 0.685 28 A CB 1.205 20.149 19.000 -0.093 0.000 1.285 28 A HN 0.815 nan 8.150 nan 0.000 0.405 29 E N 1.056 121.228 120.200 -0.047 0.000 2.223 29 E HA -0.267 4.083 4.350 -0.000 0.000 0.249 29 E C 0.984 177.568 176.600 -0.026 0.000 1.008 29 E CA 2.525 58.906 56.400 -0.032 0.000 0.975 29 E CB -0.192 29.493 29.700 -0.026 0.000 0.901 29 E HN 1.145 nan 8.360 nan 0.000 0.537 30 A N 0.946 123.755 122.820 -0.019 0.000 3.016 30 A HA 0.548 4.868 4.320 -0.000 0.000 0.303 30 A C 0.254 177.823 177.584 -0.025 0.000 1.507 30 A CA 0.480 52.509 52.037 -0.013 0.000 1.196 30 A CB -0.413 18.591 19.000 0.008 0.000 1.169 30 A HN 0.708 nan 8.150 nan 0.000 0.544 31 G N 0.247 109.025 108.800 -0.036 0.000 2.362 31 G HA2 0.338 4.298 3.960 -0.000 0.000 0.517 31 G HA3 0.338 4.298 3.960 -0.000 0.000 0.517 31 G C -0.974 173.889 174.900 -0.062 0.000 1.256 31 G CA -0.166 44.907 45.100 -0.046 0.000 1.027 31 G HN 1.677 nan 8.290 nan 0.000 0.491 32 Q N -1.027 118.730 119.800 -0.072 0.000 2.575 32 Q HA 0.684 5.024 4.340 -0.000 0.000 0.290 32 Q C -1.878 174.064 176.000 -0.097 0.000 0.963 32 Q CA -1.006 54.746 55.803 -0.085 0.000 0.783 32 Q CB 1.795 30.490 28.738 -0.072 0.000 1.467 32 Q HN 1.004 nan 8.270 nan 0.000 0.402 33 I N 1.552 122.056 120.570 -0.110 0.000 2.436 33 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 33 I C -0.775 175.268 176.117 -0.123 0.000 1.010 33 I CA -0.654 60.579 61.300 -0.112 0.000 1.098 33 I CB 2.167 40.089 38.000 -0.130 0.000 1.266 33 I HN 0.596 nan 8.210 nan 0.000 0.434 34 E N 4.165 124.290 120.200 -0.125 0.000 2.171 34 E HA 0.472 4.822 4.350 -0.000 0.000 0.271 34 E C -0.550 175.933 176.600 -0.194 0.000 0.916 34 E CA -0.726 55.562 56.400 -0.188 0.000 0.774 34 E CB 2.227 31.783 29.700 -0.239 0.000 1.128 34 E HN 0.617 nan 8.360 nan 0.000 0.403 35 T N -0.524 113.917 114.554 -0.189 0.000 2.932 35 T HA 0.431 4.781 4.350 -0.000 0.000 0.289 35 T C -0.862 173.800 174.700 -0.062 0.000 1.039 35 T CA -0.812 61.269 62.100 -0.031 0.000 1.024 35 T CB 0.969 69.832 68.868 -0.008 0.000 1.090 35 T HN 0.410 nan 8.240 nan 0.000 0.496 36 W N 2.356 123.743 121.300 0.146 0.000 2.478 36 W HA 0.368 5.028 4.660 0.000 0.000 0.318 36 W C 0.415 176.821 176.519 -0.188 0.000 1.062 36 W CA -0.874 56.467 57.345 -0.006 0.000 1.210 36 W CB 1.478 30.995 29.460 0.096 0.000 1.325 36 W HN 0.705 nan 8.180 nan 0.000 0.496 37 N N 3.133 121.777 118.700 -0.095 0.000 2.411 37 N HA -0.101 4.639 4.740 -0.000 0.000 0.265 37 N C 0.494 175.691 175.510 -0.520 0.000 1.266 37 N CA 0.417 53.288 53.050 -0.298 0.000 0.889 37 N CB 0.398 38.719 38.487 -0.277 0.000 1.069 37 N HN 0.305 nan 8.380 nan 0.000 0.476 38 F N 1.694 121.487 119.950 -0.261 0.000 2.773 38 F HA 0.326 4.853 4.527 -0.000 0.000 0.304 38 F C 1.326 177.073 175.800 -0.088 0.000 1.129 38 F CA -0.492 57.372 58.000 -0.226 0.000 1.378 38 F CB -0.088 38.856 39.000 -0.093 0.000 1.095 38 F HN 0.292 nan 8.300 nan 0.000 0.565 39 N N 0.231 118.728 118.700 -0.337 0.000 2.402 39 N HA -0.036 4.704 4.740 -0.000 0.000 0.174 39 N C 0.442 175.912 175.510 -0.067 0.000 1.027 39 N CA 0.221 53.159 53.050 -0.186 0.000 0.891 39 N CB -0.068 38.250 38.487 -0.282 0.000 1.016 39 N HN 0.457 nan 8.380 nan 0.000 0.439 40 Q N 0.368 120.125 119.800 -0.073 0.000 2.310 40 Q HA -0.035 4.305 4.340 -0.000 0.000 0.315 40 Q C 1.238 177.282 176.000 0.074 0.000 1.081 40 Q CA 0.282 56.093 55.803 0.014 0.000 0.981 40 Q CB 0.316 29.087 28.738 0.055 0.000 1.184 40 Q HN 0.293 nan 8.270 nan 0.000 0.389 41 G N 3.117 111.949 108.800 0.054 0.000 2.532 41 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.222 41 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.222 41 G C 0.959 175.900 174.900 0.068 0.000 1.102 41 G CA 0.896 46.028 45.100 0.052 0.000 0.742 41 G HN 0.710 nan 8.290 nan 0.000 0.577 42 D N 0.366 120.831 120.400 0.109 0.000 2.119 42 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 42 D C 2.260 178.636 176.300 0.127 0.000 0.987 42 D CA 0.742 54.815 54.000 0.122 0.000 0.858 42 D CB -0.459 40.475 40.800 0.224 0.000 1.008 42 D HN 0.295 nan 8.370 nan 0.000 0.450 43 F N 1.162 121.101 119.950 -0.019 0.000 2.027 43 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 43 F C 2.955 178.741 175.800 -0.023 0.000 1.129 43 F CA 1.617 59.610 58.000 -0.013 0.000 1.195 43 F CB -0.476 38.562 39.000 0.062 0.000 0.960 43 F HN 0.099 nan 8.300 nan 0.000 0.485 44 Q N -0.501 119.439 119.800 0.234 0.000 2.084 44 Q HA -0.407 3.933 4.340 -0.000 0.000 0.215 44 Q C 2.432 178.457 176.000 0.041 0.000 1.020 44 Q CA 2.384 58.264 55.803 0.128 0.000 0.887 44 Q CB -1.361 27.437 28.738 0.100 0.000 0.975 44 Q HN 0.682 nan 8.270 nan 0.000 0.413 45 c N 0.282 118.876 118.600 -0.009 0.000 2.396 45 c HA -0.159 4.411 4.570 -0.000 0.000 0.277 45 c C 2.686 176.623 174.090 -0.256 0.000 1.231 45 c CA 1.371 57.653 56.329 -0.079 0.000 1.775 45 c CB -1.042 41.414 42.510 -0.091 0.000 2.036 45 c HN 0.565 nan 8.230 nan 0.000 0.484 46 A N -0.966 121.614 122.820 -0.401 0.000 2.178 46 A HA 0.433 4.753 4.320 -0.000 0.000 0.211 46 A C 1.924 179.451 177.584 -0.095 0.000 1.157 46 A CA 1.417 53.060 52.037 -0.656 0.000 0.780 46 A CB -1.009 17.651 19.000 -0.567 0.000 0.828 46 A HN 1.844 nan 8.150 nan 0.000 0.476 47 G N -0.820 107.993 108.800 0.021 0.000 2.221 47 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.265 47 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.265 47 G C 0.055 175.090 174.900 0.225 0.000 1.041 47 G CA 0.408 45.595 45.100 0.145 0.000 0.807 47 G HN 0.912 nan 8.290 nan 0.000 0.502 48 V N -0.886 119.122 119.914 0.157 0.000 3.019 48 V HA 1.004 5.124 4.120 -0.000 0.000 0.317 48 V C 0.456 176.720 176.094 0.282 0.000 1.094 48 V CA -0.372 62.020 62.300 0.153 0.000 1.000 48 V CB 2.012 33.820 31.823 -0.026 0.000 1.060 48 V HN 1.567 nan 8.190 nan 0.000 0.443 49 A N 1.073 124.058 122.820 0.275 0.000 2.520 49 A HA 0.987 5.307 4.320 -0.000 0.000 0.298 49 A C -0.775 177.116 177.584 0.512 0.000 1.051 49 A CA -0.077 52.218 52.037 0.430 0.000 0.690 49 A CB 1.826 20.758 19.000 -0.114 0.000 1.281 49 A HN 1.770 nan 8.150 nan 0.000 0.402 50 A N 0.747 124.020 122.820 0.756 0.000 2.498 50 A HA 0.981 5.301 4.320 -0.000 0.000 0.298 50 A C -0.269 177.885 177.584 0.950 0.000 1.075 50 A CA 0.094 52.554 52.037 0.704 0.000 0.714 50 A CB 1.497 20.706 19.000 0.349 0.000 1.299 50 A HN 2.453 nan 8.150 nan 0.000 0.407 51 S N 0.536 116.708 115.700 0.787 0.000 2.579 51 S HA 0.779 5.249 4.470 -0.000 0.000 0.272 51 S C -0.919 173.908 174.600 0.377 0.000 1.141 51 S CA -0.791 57.730 58.200 0.535 0.000 0.843 51 S CB 1.766 65.190 63.200 0.374 0.000 1.122 51 S HN 0.987 nan 8.310 nan 0.000 0.468 52 R N 2.080 122.672 120.500 0.154 0.000 2.412 52 R HA 0.473 4.813 4.340 -0.000 0.000 0.304 52 R C -0.858 175.451 176.300 0.016 0.000 1.066 52 R CA -0.678 55.470 56.100 0.080 0.000 0.923 52 R CB 0.404 30.723 30.300 0.032 0.000 1.156 52 R HN 0.718 nan 8.270 nan 0.000 0.513 53 I N 3.388 123.975 120.570 0.029 0.000 2.474 53 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 53 I C 0.021 176.129 176.117 -0.015 0.000 1.048 53 I CA -0.106 61.187 61.300 -0.011 0.000 1.383 53 I CB 1.534 39.537 38.000 0.005 0.000 1.412 53 I HN 0.564 nan 8.210 nan 0.000 0.531 54 T N 7.115 121.647 114.554 -0.036 0.000 2.890 54 T HA 0.572 4.922 4.350 -0.000 0.000 0.295 54 T C -0.092 174.587 174.700 -0.035 0.000 0.993 54 T CA -0.326 61.759 62.100 -0.025 0.000 0.979 54 T CB 1.285 70.141 68.868 -0.020 0.000 0.967 54 T HN 0.269 nan 8.240 nan 0.000 0.441 55 I N 3.365 123.921 120.570 -0.024 0.000 2.362 55 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 55 I C 0.571 176.668 176.117 -0.035 0.000 0.994 55 I CA -0.874 60.410 61.300 -0.026 0.000 1.158 55 I CB 1.535 39.534 38.000 -0.002 0.000 1.315 55 I HN 0.453 nan 8.210 nan 0.000 0.451 56 Q N 5.667 125.447 119.800 -0.034 0.000 2.421 56 Q HA 0.203 4.543 4.340 -0.000 0.000 0.255 56 Q C -0.043 175.923 176.000 -0.057 0.000 1.013 56 Q CA -0.589 55.193 55.803 -0.035 0.000 0.895 56 Q CB 0.632 29.355 28.738 -0.025 0.000 1.271 56 Q HN 0.544 nan 8.270 nan 0.000 0.460 57 R N 1.479 121.945 120.500 -0.057 0.000 2.619 57 R HA -0.167 4.173 4.340 -0.000 0.000 0.268 57 R C -0.194 176.052 176.300 -0.091 0.000 0.990 57 R CA 0.638 56.687 56.100 -0.086 0.000 1.092 57 R CB -0.184 30.085 30.300 -0.051 0.000 0.935 57 R HN 0.855 nan 8.270 nan 0.000 0.415 58 N N -0.667 117.925 118.700 -0.180 0.000 2.800 58 N HA -0.151 4.589 4.740 -0.000 0.000 0.250 58 N C -0.296 175.208 175.510 -0.010 0.000 1.078 58 N CA 0.614 53.608 53.050 -0.094 0.000 0.804 58 N CB -0.567 37.949 38.487 0.049 0.000 1.135 58 N HN 0.897 nan 8.380 nan 0.000 0.565 59 G N 0.684 109.412 108.800 -0.119 0.000 2.356 59 G HA2 0.534 4.494 3.960 -0.000 0.000 0.298 59 G HA3 0.534 4.494 3.960 -0.000 0.000 0.298 59 G C -0.586 174.404 174.900 0.150 0.000 1.145 59 G CA -0.357 44.757 45.100 0.022 0.000 0.850 59 G HN 0.136 nan 8.290 nan 0.000 0.487 60 L N 2.320 123.715 121.223 0.287 0.000 2.319 60 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 60 L C -0.026 177.022 176.870 0.297 0.000 1.005 60 L CA -0.924 54.155 54.840 0.399 0.000 0.828 60 L CB 1.274 43.519 42.059 0.310 0.000 1.227 60 L HN 0.712 nan 8.230 nan 0.000 0.415 61 H N 5.743 124.938 119.070 0.209 0.000 2.864 61 H HA 0.307 4.863 4.556 -0.000 0.000 0.281 61 H C -0.374 175.046 175.328 0.154 0.000 1.093 61 H CA -0.900 55.236 56.048 0.147 0.000 1.453 61 H CB 0.592 30.432 29.762 0.130 0.000 1.462 61 H HN 0.670 nan 8.280 nan 0.000 0.480 62 L N 7.653 129.090 121.223 0.358 0.000 2.543 62 L HA 0.022 4.362 4.340 -0.000 0.000 0.285 62 L C -1.718 175.230 176.870 0.130 0.000 1.236 62 L CA -1.606 53.363 54.840 0.216 0.000 0.871 62 L CB 0.147 42.326 42.059 0.200 0.000 1.121 62 L HN 0.626 nan 8.230 nan 0.000 0.501 63 P HA 0.024 nan 4.420 nan 0.000 0.264 63 P C -0.761 176.499 177.300 -0.068 0.000 1.193 63 P CA 0.052 63.156 63.100 0.007 0.000 0.763 63 P CB 0.999 32.769 31.700 0.115 0.000 0.810 64 S N 2.540 118.076 115.700 -0.273 0.000 2.688 64 S HA 0.836 5.306 4.470 -0.000 0.000 0.275 64 S C -1.280 173.291 174.600 -0.048 0.000 1.175 64 S CA -0.737 57.242 58.200 -0.367 0.000 0.818 64 S CB 1.592 64.215 63.200 -0.961 0.000 1.157 64 S HN 0.613 nan 8.310 nan 0.000 0.482 65 Y N -1.513 118.761 120.300 -0.044 0.000 2.565 65 Y HA 0.814 5.364 4.550 -0.000 0.000 0.330 65 Y C -0.942 175.091 175.900 0.221 0.000 1.150 65 Y CA -0.647 57.520 58.100 0.113 0.000 1.055 65 Y CB 0.932 39.427 38.460 0.059 0.000 1.337 65 Y HN 1.067 nan 8.280 nan 0.000 0.457 66 S N 1.764 117.715 115.700 0.418 0.000 2.566 66 S HA 0.323 4.793 4.470 -0.000 0.000 0.298 66 S C 0.356 175.171 174.600 0.359 0.000 1.083 66 S CA -0.394 58.042 58.200 0.393 0.000 0.978 66 S CB 1.023 64.448 63.200 0.375 0.000 1.073 66 S HN 0.973 nan 8.310 nan 0.000 0.491 67 N N 2.113 121.007 118.700 0.323 0.000 2.585 67 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 67 N C 0.333 175.943 175.510 0.166 0.000 1.102 67 N CA 0.658 53.834 53.050 0.212 0.000 0.920 67 N CB -0.453 38.154 38.487 0.201 0.000 0.963 67 N HN 0.653 nan 8.380 nan 0.000 0.447 68 A N 1.335 124.281 122.820 0.210 0.000 2.350 68 A HA 0.587 4.907 4.320 -0.000 0.000 0.324 68 A C -2.614 175.123 177.584 0.255 0.000 1.118 68 A CA -1.770 50.399 52.037 0.220 0.000 0.783 68 A CB 1.658 20.794 19.000 0.228 0.000 1.236 68 A HN 0.050 nan 8.150 nan 0.000 0.457 69 P HA 0.293 nan 4.420 nan 0.000 0.277 69 P C -1.270 176.103 177.300 0.123 0.000 1.240 69 P CA 0.010 63.191 63.100 0.136 0.000 0.798 69 P CB 1.027 32.805 31.700 0.130 0.000 0.979 70 Q N 1.431 121.221 119.800 -0.016 0.000 2.416 70 Q HA 0.664 5.004 4.340 -0.000 0.000 0.281 70 Q C -1.579 174.372 176.000 -0.083 0.000 1.067 70 Q CA -1.114 54.567 55.803 -0.203 0.000 0.809 70 Q CB 1.745 30.033 28.738 -0.750 0.000 1.418 70 Q HN 0.323 nan 8.270 nan 0.000 0.411 71 L N 2.477 123.711 121.223 0.020 0.000 2.329 71 L HA 0.608 4.948 4.340 -0.000 0.000 0.279 71 L C -0.695 176.148 176.870 -0.045 0.000 1.014 71 L CA -1.010 53.907 54.840 0.127 0.000 0.814 71 L CB 1.715 44.068 42.059 0.490 0.000 1.257 71 L HN 0.631 nan 8.230 nan 0.000 0.424 72 I N 2.978 123.489 120.570 -0.097 0.000 2.411 72 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 72 I C -1.125 174.849 176.117 -0.238 0.000 1.012 72 I CA -0.628 60.561 61.300 -0.184 0.000 1.119 72 I CB 1.564 39.443 38.000 -0.202 0.000 1.261 72 I HN 0.440 nan 8.210 nan 0.000 0.448 73 Y N 7.740 127.719 120.300 -0.536 0.000 2.341 73 Y HA 0.497 5.047 4.550 -0.000 0.000 0.340 73 Y C -0.150 175.520 175.900 -0.382 0.000 0.997 73 Y CA -0.520 57.174 58.100 -0.677 0.000 1.149 73 Y CB 0.848 38.371 38.460 -1.561 0.000 1.171 73 Y HN 0.401 nan 8.280 nan 0.000 0.494 74 I N 8.015 128.035 120.570 -0.917 0.000 2.347 74 I HA 0.002 4.172 4.170 -0.000 0.000 0.294 74 I C 0.798 176.502 176.117 -0.689 0.000 1.090 74 I CA -0.167 60.774 61.300 -0.598 0.000 1.314 74 I CB 0.952 38.718 38.000 -0.389 0.000 1.423 74 I HN 0.651 nan 8.210 nan 0.000 0.503 75 V N 5.298 125.067 119.914 -0.242 0.000 2.594 75 V HA -0.181 3.939 4.120 -0.000 0.000 0.253 75 V C 0.624 176.724 176.094 0.010 0.000 1.069 75 V CA 1.338 63.674 62.300 0.059 0.000 1.082 75 V CB -1.217 30.706 31.823 0.166 0.000 0.680 75 V HN 1.003 nan 8.190 nan 0.000 0.469 76 Q N -1.962 117.802 119.800 -0.060 0.000 3.100 76 Q HA 0.492 4.832 4.340 -0.000 0.000 0.191 76 Q C -0.691 175.287 176.000 -0.037 0.000 0.971 76 Q CA 0.036 55.818 55.803 -0.034 0.000 1.209 76 Q CB 0.408 29.155 28.738 0.014 0.000 1.803 76 Q HN 0.389 nan 8.270 nan 0.000 0.586 77 G N 1.250 110.024 108.800 -0.044 0.000 2.332 77 G HA2 0.360 4.320 3.960 -0.000 0.000 0.265 77 G HA3 0.360 4.320 3.960 -0.000 0.000 0.265 77 G C -1.870 173.008 174.900 -0.037 0.000 1.329 77 G CA -0.221 44.860 45.100 -0.033 0.000 0.949 77 G HN 0.818 nan 8.290 nan 0.000 0.476 78 R N -1.144 119.340 120.500 -0.028 0.000 2.741 78 R HA 0.657 4.997 4.340 -0.000 0.000 0.274 78 R C -0.288 176.010 176.300 -0.004 0.000 1.029 78 R CA 0.456 56.547 56.100 -0.015 0.000 0.880 78 R CB 1.382 31.680 30.300 -0.003 0.000 1.264 78 R HN 2.631 nan 8.270 nan 0.000 0.465 79 G N 0.217 109.033 108.800 0.026 0.000 2.368 79 G HA2 0.230 4.190 3.960 -0.000 0.000 0.302 79 G HA3 0.230 4.190 3.960 -0.000 0.000 0.302 79 G C -1.963 172.993 174.900 0.093 0.000 1.329 79 G CA -0.463 44.675 45.100 0.064 0.000 0.935 79 G HN 0.436 nan 8.290 nan 0.000 0.590 80 V N 0.288 120.301 119.914 0.165 0.000 2.483 80 V HA 0.756 4.876 4.120 -0.000 0.000 0.295 80 V C 0.106 176.135 176.094 -0.108 0.000 1.035 80 V CA -0.677 61.675 62.300 0.087 0.000 0.896 80 V CB 1.463 33.426 31.823 0.235 0.000 0.986 80 V HN 0.857 nan 8.190 nan 0.000 0.447 81 L N 3.756 124.822 121.223 -0.261 0.000 2.333 81 L HA 0.878 5.218 4.340 -0.000 0.000 0.280 81 L C 0.345 176.785 176.870 -0.716 0.000 1.004 81 L CA -0.071 54.522 54.840 -0.411 0.000 0.820 81 L CB 1.502 43.434 42.059 -0.212 0.000 1.247 81 L HN 0.768 nan 8.230 nan 0.000 0.416 82 G N 4.143 112.164 108.800 -1.299 0.000 2.468 82 G HA2 0.662 4.622 3.960 -0.000 0.000 0.315 82 G HA3 0.662 4.622 3.960 -0.000 0.000 0.315 82 G C -0.718 173.710 174.900 -0.786 0.000 1.203 82 G CA -0.161 44.140 45.100 -1.331 0.000 0.962 82 G HN 0.833 nan 8.290 nan 0.000 0.476 83 A N 2.055 124.552 122.820 -0.538 0.000 2.312 83 A HA 0.801 5.121 4.320 -0.000 0.000 0.328 83 A C -0.423 176.793 177.584 -0.613 0.000 1.158 83 A CA -0.524 51.213 52.037 -0.501 0.000 0.821 83 A CB 1.658 20.299 19.000 -0.597 0.000 1.170 83 A HN 0.828 nan 8.150 nan 0.000 0.490 84 V N 1.764 121.375 119.914 -0.504 0.000 2.409 84 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 84 V C -1.091 174.785 176.094 -0.365 0.000 1.020 84 V CA -0.085 62.001 62.300 -0.358 0.000 0.848 84 V CB 0.804 32.578 31.823 -0.082 0.000 0.990 84 V HN 0.715 nan 8.190 nan 0.000 0.430 85 F N 3.181 123.127 119.950 -0.006 0.000 2.366 85 F HA 0.374 4.902 4.527 0.000 0.000 0.366 85 F C 1.021 176.812 175.800 -0.015 0.000 1.096 85 F CA -0.760 57.229 58.000 -0.018 0.000 1.060 85 F CB 1.739 40.730 39.000 -0.016 0.000 1.282 85 F HN 0.570 nan 8.300 nan 0.000 0.450 86 S N 1.842 117.624 115.700 0.137 0.000 2.558 86 S HA 0.387 4.857 4.470 -0.000 0.000 0.288 86 S C 1.110 175.748 174.600 0.064 0.000 1.318 86 S CA 0.226 58.465 58.200 0.067 0.000 1.056 86 S CB 1.143 64.352 63.200 0.015 0.000 0.853 86 S HN 1.301 nan 8.310 nan 0.000 0.505 87 G N 1.116 109.946 108.800 0.051 0.000 2.157 87 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 87 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 87 G C 0.207 175.145 174.900 0.062 0.000 0.979 87 G CA -0.050 45.076 45.100 0.044 0.000 0.650 87 G HN 1.007 nan 8.290 nan 0.000 0.529 88 c N 1.170 119.822 118.600 0.086 0.000 2.366 88 c HA 0.716 5.286 4.570 -0.000 0.000 0.345 88 c C -1.474 172.661 174.090 0.077 0.000 1.209 88 c CA -1.290 55.097 56.329 0.098 0.000 2.050 88 c CB 1.417 44.021 42.510 0.157 0.000 2.359 88 c HN 0.375 nan 8.230 nan 0.000 0.527 89 P HA 0.380 nan 4.420 nan 0.000 0.276 89 P C -0.943 176.394 177.300 0.062 0.000 1.244 89 P CA -0.284 62.851 63.100 0.057 0.000 0.801 89 P CB 0.582 32.312 31.700 0.049 0.000 1.006 90 E N -0.506 119.728 120.200 0.057 0.000 2.242 90 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 90 E C 0.340 176.985 176.600 0.074 0.000 1.002 90 E CA -0.251 56.183 56.400 0.057 0.000 0.841 90 E CB 0.853 30.586 29.700 0.056 0.000 1.109 90 E HN 0.270 nan 8.360 nan 0.000 0.394 91 T N 1.327 115.955 114.554 0.124 0.000 3.407 91 T HA 0.264 4.614 4.350 -0.000 0.000 0.308 91 T C -1.283 173.624 174.700 0.346 0.000 0.919 91 T CA -0.211 62.002 62.100 0.189 0.000 0.960 91 T CB 0.055 69.036 68.868 0.188 0.000 1.193 91 T HN 0.230 nan 8.240 nan 0.000 0.568 92 F N 3.190 123.054 119.950 -0.143 0.000 2.495 92 F HA 0.741 5.268 4.527 -0.000 0.000 0.327 92 F C -0.192 175.428 175.800 -0.301 0.000 1.103 92 F CA -1.500 56.370 58.000 -0.216 0.000 0.949 92 F CB 1.793 40.604 39.000 -0.316 0.000 1.142 92 F HN 0.368 nan 8.300 nan 0.000 0.457 93 E N 1.025 121.162 120.200 -0.106 0.000 2.972 93 E HA 0.099 4.449 4.350 -0.000 0.000 0.311 93 E C -1.619 174.968 176.600 -0.022 0.000 1.132 93 E CA -0.967 55.399 56.400 -0.056 0.000 0.912 93 E CB 0.434 30.119 29.700 -0.025 0.000 1.174 93 E HN 0.522 nan 8.360 nan 0.000 0.462 94 E N 1.554 121.764 120.200 0.016 0.000 2.481 94 E HA 0.084 4.434 4.350 -0.000 0.000 0.263 94 E C -0.289 176.311 176.600 0.000 0.000 0.992 94 E CA 0.726 57.134 56.400 0.013 0.000 0.938 94 E CB 0.595 30.313 29.700 0.030 0.000 0.933 94 E HN 0.486 nan 8.360 nan 0.000 0.453 95 S N 3.518 119.214 115.700 -0.007 0.000 2.592 95 S HA 0.008 4.478 4.470 -0.000 0.000 0.271 95 S C 0.309 174.908 174.600 -0.002 0.000 1.326 95 S CA -1.061 57.134 58.200 -0.009 0.000 1.024 95 S CB 1.193 64.383 63.200 -0.015 0.000 0.921 95 S HN 0.649 nan 8.310 nan 0.000 0.527 168 D N 1.028 121.469 120.400 0.068 0.000 2.308 168 D HA 0.593 5.233 4.640 -0.000 0.000 0.242 168 D C -1.234 175.137 176.300 0.118 0.000 1.059 168 D CA -0.246 53.821 54.000 0.111 0.000 0.830 168 D CB 1.115 42.004 40.800 0.148 0.000 1.161 168 D HN 0.472 nan 8.370 nan 0.000 0.494 169 R N 1.955 122.531 120.500 0.127 0.000 2.548 169 R HA 0.690 5.030 4.340 -0.000 0.000 0.280 169 R C -1.329 175.047 176.300 0.127 0.000 1.061 169 R CA -0.886 55.250 56.100 0.061 0.000 0.915 169 R CB 1.210 31.533 30.300 0.038 0.000 1.210 169 R HN 0.596 nan 8.270 nan 0.000 0.442 170 H N -0.298 118.853 119.070 0.136 0.000 2.966 170 H HA 0.373 4.929 4.556 -0.000 0.000 0.330 170 H C -1.126 174.249 175.328 0.079 0.000 1.292 170 H CA -1.147 54.961 56.048 0.100 0.000 1.127 170 H CB 1.131 30.951 29.762 0.098 0.000 1.863 170 H HN 0.630 nan 8.280 nan 0.000 0.543 171 Q N 0.667 120.561 119.800 0.156 0.000 2.382 171 Q HA 0.156 4.496 4.340 -0.000 0.000 0.229 171 Q C -0.256 175.613 176.000 -0.218 0.000 1.006 171 Q CA -0.826 54.962 55.803 -0.025 0.000 0.916 171 Q CB 0.892 29.601 28.738 -0.049 0.000 1.235 171 Q HN 0.560 nan 8.270 nan 0.000 0.512 172 K N 0.725 120.798 120.400 -0.545 0.000 2.548 172 K HA -0.099 4.221 4.320 -0.000 0.000 0.277 172 K C -0.914 175.305 176.600 -0.636 0.000 1.001 172 K CA 0.662 56.302 56.287 -1.078 0.000 1.102 172 K CB 0.305 32.412 32.500 -0.655 0.000 0.848 172 K HN 0.460 nan 8.250 nan 0.000 0.487 173 T N 4.933 119.124 114.554 -0.606 0.000 2.829 173 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 173 T C -0.597 174.024 174.700 -0.131 0.000 0.990 173 T CA -0.631 61.311 62.100 -0.262 0.000 1.028 173 T CB 0.723 69.582 68.868 -0.014 0.000 0.951 173 T HN 0.503 nan 8.240 nan 0.000 0.460 174 R N 2.223 122.623 120.500 -0.166 0.000 2.437 174 R HA 0.426 4.766 4.340 -0.000 0.000 0.310 174 R C -0.182 176.098 176.300 -0.032 0.000 0.955 174 R CA -0.864 55.191 56.100 -0.075 0.000 0.851 174 R CB 1.981 32.215 30.300 -0.109 0.000 1.161 174 R HN 0.430 nan 8.270 nan 0.000 0.446 175 R N 4.271 124.790 120.500 0.031 0.000 2.347 175 R HA 0.248 4.588 4.340 -0.000 0.000 0.304 175 R C -0.043 176.259 176.300 0.004 0.000 1.072 175 R CA -0.134 55.993 56.100 0.045 0.000 0.980 175 R CB 0.402 30.746 30.300 0.073 0.000 0.986 175 R HN 0.621 nan 8.270 nan 0.000 0.448 176 I N 1.456 122.020 120.570 -0.010 0.000 2.603 176 I HA 0.651 4.821 4.170 -0.000 0.000 0.300 176 I C -0.851 175.241 176.117 -0.042 0.000 1.017 176 I CA -1.243 60.032 61.300 -0.041 0.000 1.098 176 I CB 2.122 40.084 38.000 -0.063 0.000 1.279 176 I HN 0.640 nan 8.210 nan 0.000 0.437 177 R N 2.194 122.652 120.500 -0.070 0.000 2.692 177 R HA 0.352 4.692 4.340 -0.000 0.000 0.269 177 R C -1.170 175.052 176.300 -0.129 0.000 1.030 177 R CA -0.988 55.068 56.100 -0.074 0.000 0.882 177 R CB 1.194 31.471 30.300 -0.039 0.000 1.250 177 R HN 0.732 nan 8.270 nan 0.000 0.465 178 E N 0.520 120.645 120.200 -0.125 0.000 3.056 178 E HA -0.119 4.231 4.350 -0.000 0.000 0.264 178 E C 0.643 177.131 176.600 -0.188 0.000 0.899 178 E CA 2.099 58.398 56.400 -0.169 0.000 0.966 178 E CB 0.059 29.716 29.700 -0.071 0.000 0.913 178 E HN 0.807 nan 8.360 nan 0.000 0.522 179 G N 3.750 112.321 108.800 -0.381 0.000 2.217 179 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 179 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 179 G C -0.148 174.634 174.900 -0.195 0.000 0.990 179 G CA 0.185 45.168 45.100 -0.194 0.000 0.627 179 G HN 0.650 nan 8.290 nan 0.000 0.522 180 D N 0.172 120.403 120.400 -0.282 0.000 2.345 180 D HA 0.519 5.159 4.640 -0.000 0.000 0.247 180 D C 0.254 176.431 176.300 -0.205 0.000 1.108 180 D CA 0.117 54.014 54.000 -0.172 0.000 0.894 180 D CB 1.763 42.475 40.800 -0.146 0.000 1.203 180 D HN 0.185 nan 8.370 nan 0.000 0.430 181 V N 2.945 122.828 119.914 -0.050 0.000 2.409 181 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 181 V C -0.158 175.923 176.094 -0.020 0.000 1.020 181 V CA -0.715 61.588 62.300 0.005 0.000 0.848 181 V CB 1.810 33.741 31.823 0.179 0.000 0.990 181 V HN 0.248 nan 8.190 nan 0.000 0.430 182 V N 3.892 123.767 119.914 -0.065 0.000 2.555 182 V HA 0.793 4.913 4.120 -0.000 0.000 0.302 182 V C 0.304 176.355 176.094 -0.072 0.000 1.038 182 V CA -0.599 61.652 62.300 -0.082 0.000 0.887 182 V CB 1.912 33.647 31.823 -0.148 0.000 0.991 182 V HN 0.952 nan 8.190 nan 0.000 0.434 183 A N 6.223 129.017 122.820 -0.044 0.000 2.271 183 A HA 0.823 5.143 4.320 -0.000 0.000 0.317 183 A C -0.716 176.838 177.584 -0.050 0.000 1.245 183 A CA -0.400 51.622 52.037 -0.024 0.000 0.857 183 A CB 0.330 19.342 19.000 0.020 0.000 1.175 183 A HN 0.596 nan 8.150 nan 0.000 0.512 184 I N 4.202 124.718 120.570 -0.090 0.000 2.420 184 I HA 0.296 4.466 4.170 -0.000 0.000 0.282 184 I C -2.544 173.569 176.117 -0.006 0.000 1.019 184 I CA -2.423 58.825 61.300 -0.087 0.000 1.130 184 I CB 0.990 38.827 38.000 -0.271 0.000 1.262 184 I HN 0.325 nan 8.210 nan 0.000 0.454 185 P HA 0.069 nan 4.420 nan 0.000 0.269 185 P C -0.066 177.263 177.300 0.048 0.000 1.217 185 P CA -0.074 63.038 63.100 0.020 0.000 0.783 185 P CB 0.737 32.486 31.700 0.082 0.000 0.898 186 A N 1.749 124.577 122.820 0.014 0.000 2.425 186 A HA 0.466 4.786 4.320 -0.000 0.000 0.249 186 A C 1.440 179.058 177.584 0.057 0.000 1.084 186 A CA 0.544 52.631 52.037 0.082 0.000 0.781 186 A CB -1.208 17.842 19.000 0.083 0.000 1.019 186 A HN 0.857 nan 8.150 nan 0.000 0.490 187 G N 0.338 109.195 108.800 0.096 0.000 2.179 187 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.260 187 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.260 187 G C 0.120 174.936 174.900 -0.140 0.000 0.977 187 G CA 0.248 45.294 45.100 -0.090 0.000 0.641 187 G HN 1.438 nan 8.290 nan 0.000 0.533 188 V N 1.027 120.974 119.914 0.055 0.000 2.427 188 V HA 0.769 4.889 4.120 -0.000 0.000 0.286 188 V C 0.763 176.964 176.094 0.178 0.000 1.034 188 V CA -0.336 62.015 62.300 0.085 0.000 0.893 188 V CB 1.497 33.415 31.823 0.160 0.000 0.982 188 V HN 1.032 nan 8.190 nan 0.000 0.452 189 A N 5.458 128.352 122.820 0.123 0.000 2.331 189 A HA 0.799 5.119 4.320 -0.000 0.000 0.283 189 A C -0.774 176.914 177.584 0.173 0.000 1.142 189 A CA -0.232 51.927 52.037 0.203 0.000 0.812 189 A CB 0.337 19.435 19.000 0.163 0.000 1.074 189 A HN 1.186 nan 8.150 nan 0.000 0.497 190 Y N 0.043 120.338 120.300 -0.010 0.000 2.597 190 Y HA 0.796 5.346 4.550 -0.000 0.000 0.340 190 Y C -1.298 174.585 175.900 -0.028 0.000 1.097 190 Y CA -1.958 56.075 58.100 -0.112 0.000 1.037 190 Y CB 1.123 39.478 38.460 -0.175 0.000 1.305 190 Y HN 0.854 nan 8.280 nan 0.000 0.463 191 W N 1.719 122.896 121.300 -0.205 0.000 3.138 191 W HA 0.759 5.419 4.660 -0.000 0.000 0.331 191 W C -1.861 174.633 176.519 -0.041 0.000 1.166 191 W CA -1.115 56.057 57.345 -0.289 0.000 1.212 191 W CB 1.451 30.809 29.460 -0.170 0.000 1.399 191 W HN 0.913 nan 8.180 nan 0.000 0.514 192 S N 1.662 117.522 115.700 0.267 0.000 2.648 192 S HA 0.809 5.279 4.470 -0.000 0.000 0.305 192 S C -1.784 173.134 174.600 0.529 0.000 1.094 192 S CA -0.697 57.671 58.200 0.280 0.000 0.983 192 S CB 2.819 66.186 63.200 0.279 0.000 1.101 192 S HN 0.594 nan 8.310 nan 0.000 0.514 193 Y N 0.885 121.351 120.300 0.276 0.000 2.358 193 Y HA 0.389 4.939 4.550 -0.000 0.000 0.324 193 Y C -0.852 175.161 175.900 0.189 0.000 1.123 193 Y CA -0.804 57.468 58.100 0.287 0.000 1.067 193 Y CB 1.354 40.071 38.460 0.427 0.000 1.230 193 Y HN 0.942 nan 8.280 nan 0.000 0.429 194 N N 5.089 123.536 118.700 -0.422 0.000 2.549 194 N HA -0.030 4.710 4.740 -0.000 0.000 0.267 194 N C 0.442 175.628 175.510 -0.540 0.000 1.182 194 N CA -0.001 52.838 53.050 -0.352 0.000 1.019 194 N CB 0.352 38.706 38.487 -0.222 0.000 1.380 194 N HN 0.815 nan 8.380 nan 0.000 0.505 195 D N 2.933 123.180 120.400 -0.255 0.000 2.224 195 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 195 D C 1.182 177.463 176.300 -0.032 0.000 0.965 195 D CA 0.455 54.425 54.000 -0.049 0.000 0.852 195 D CB 0.053 40.960 40.800 0.179 0.000 0.947 195 D HN 0.657 nan 8.370 nan 0.000 0.494 196 G N 0.479 109.253 108.800 -0.043 0.000 2.466 196 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.279 196 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.279 196 G C 0.712 175.596 174.900 -0.027 0.000 1.410 196 G CA 0.551 45.637 45.100 -0.022 0.000 1.065 196 G HN 0.254 nan 8.290 nan 0.000 0.547 197 D N -1.845 118.546 120.400 -0.015 0.000 2.423 197 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 197 D C 0.948 177.241 176.300 -0.013 0.000 1.068 197 D CA 0.243 54.236 54.000 -0.011 0.000 0.860 197 D CB 0.134 40.933 40.800 -0.001 0.000 0.992 197 D HN 0.643 nan 8.370 nan 0.000 0.504 198 Q N 0.515 120.306 119.800 -0.014 0.000 2.359 198 Q HA 0.440 4.780 4.340 -0.000 0.000 0.275 198 Q C -0.701 175.288 176.000 -0.018 0.000 1.082 198 Q CA -0.919 54.877 55.803 -0.011 0.000 0.849 198 Q CB 1.491 30.228 28.738 -0.001 0.000 1.377 198 Q HN -0.139 nan 8.270 nan 0.000 0.452 199 E N 0.817 121.010 120.200 -0.013 0.000 2.558 199 E HA -0.024 4.326 4.350 -0.000 0.000 0.255 199 E C -0.831 175.760 176.600 -0.015 0.000 0.968 199 E CA -0.083 56.308 56.400 -0.015 0.000 0.939 199 E CB 0.435 30.131 29.700 -0.005 0.000 0.921 199 E HN 0.292 nan 8.360 nan 0.000 0.477 200 L N 5.203 126.412 121.223 -0.024 0.000 2.260 200 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 200 L C -0.963 175.899 176.870 -0.013 0.000 1.057 200 L CA -0.257 54.570 54.840 -0.022 0.000 0.811 200 L CB 1.130 43.174 42.059 -0.025 0.000 1.184 200 L HN 0.220 nan 8.230 nan 0.000 0.429 201 V N 4.794 124.699 119.914 -0.014 0.000 2.656 201 V HA 0.956 5.076 4.120 -0.000 0.000 0.307 201 V C -0.263 175.813 176.094 -0.030 0.000 1.051 201 V CA -0.249 62.049 62.300 -0.004 0.000 0.893 201 V CB 1.454 33.293 31.823 0.027 0.000 0.999 201 V HN 1.016 nan 8.190 nan 0.000 0.426 202 A N 3.492 126.295 122.820 -0.029 0.000 2.566 202 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 202 A C -0.944 176.605 177.584 -0.059 0.000 1.059 202 A CA -0.497 51.497 52.037 -0.072 0.000 0.691 202 A CB 1.916 20.860 19.000 -0.093 0.000 1.282 202 A HN 1.488 nan 8.150 nan 0.000 0.401 203 V N 0.330 120.166 119.914 -0.129 0.000 2.539 203 V HA 0.667 4.787 4.120 -0.000 0.000 0.292 203 V C -0.394 175.651 176.094 -0.083 0.000 1.045 203 V CA -0.867 61.368 62.300 -0.108 0.000 0.945 203 V CB 1.588 33.203 31.823 -0.346 0.000 0.993 203 V HN 0.724 nan 8.190 nan 0.000 0.464 204 N N 4.478 123.190 118.700 0.021 0.000 2.354 204 N HA 0.482 5.222 4.740 -0.000 0.000 0.287 204 N C -1.528 173.875 175.510 -0.177 0.000 1.016 204 N CA -0.533 52.452 53.050 -0.107 0.000 0.871 204 N CB 2.249 40.728 38.487 -0.013 0.000 1.299 204 N HN 0.507 nan 8.380 nan 0.000 0.482 205 L N 3.407 124.354 121.223 -0.459 0.000 2.280 205 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 205 L C -0.551 175.841 176.870 -0.795 0.000 1.023 205 L CA -0.409 53.997 54.840 -0.724 0.000 0.819 205 L CB -0.040 41.127 42.059 -1.487 0.000 1.212 205 L HN 0.373 nan 8.230 nan 0.000 0.420 206 F N 1.755 121.537 119.950 -0.280 0.000 2.420 206 F HA 0.289 4.816 4.527 -0.000 0.000 0.342 206 F C 1.021 176.847 175.800 0.043 0.000 1.113 206 F CA -0.538 57.412 58.000 -0.084 0.000 1.059 206 F CB 0.714 39.651 39.000 -0.105 0.000 1.128 206 F HN 0.413 nan 8.300 nan 0.000 0.475 207 H N 3.796 123.015 119.070 0.247 0.000 2.788 207 H HA 0.273 4.829 4.556 -0.000 0.000 0.254 207 H C 1.025 176.446 175.328 0.156 0.000 1.541 207 H CA -0.558 55.645 56.048 0.258 0.000 1.295 207 H CB 0.830 30.762 29.762 0.283 0.000 1.592 207 H HN 0.699 nan 8.280 nan 0.000 0.545 208 V N 1.809 121.824 119.914 0.168 0.000 2.913 208 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 208 V C 1.498 177.552 176.094 -0.067 0.000 1.098 208 V CA 1.665 63.975 62.300 0.016 0.000 1.121 208 V CB -0.270 31.530 31.823 -0.038 0.000 0.714 208 V HN 0.624 nan 8.190 nan 0.000 0.487 209 S N -0.457 115.161 115.700 -0.137 0.000 2.614 209 S HA 0.252 4.722 4.470 -0.000 0.000 0.230 209 S C 0.873 175.174 174.600 -0.498 0.000 0.952 209 S CA 0.331 58.409 58.200 -0.203 0.000 0.949 209 S CB -0.325 62.854 63.200 -0.034 0.000 0.786 209 S HN 0.652 nan 8.310 nan 0.000 0.478 210 S N 1.357 116.602 115.700 -0.757 0.000 2.572 210 S HA 0.087 4.557 4.470 -0.000 0.000 0.279 210 S C 0.799 175.204 174.600 -0.326 0.000 1.341 210 S CA -0.366 57.427 58.200 -0.678 0.000 1.043 210 S CB 0.265 63.261 63.200 -0.339 0.000 0.887 210 S HN 0.383 nan 8.310 nan 0.000 0.516 211 D N 1.870 122.071 120.400 -0.333 0.000 2.378 211 D HA -0.079 4.561 4.640 -0.000 0.000 0.222 211 D C 0.824 176.994 176.300 -0.217 0.000 0.980 211 D CA 0.785 54.632 54.000 -0.255 0.000 0.907 211 D CB -0.057 40.585 40.800 -0.263 0.000 0.899 211 D HN 0.623 nan 8.370 nan 0.000 0.527 212 H N -0.052 118.966 119.070 -0.088 0.000 2.551 212 H HA 0.048 4.604 4.556 -0.000 0.000 0.266 212 H C 0.498 175.810 175.328 -0.028 0.000 0.977 212 H CA 0.243 56.257 56.048 -0.057 0.000 1.163 212 H CB 0.067 29.773 29.762 -0.093 0.000 1.381 212 H HN 0.072 nan 8.280 nan 0.000 0.581 213 N N 1.159 119.890 118.700 0.052 0.000 2.476 213 N HA 0.040 4.780 4.740 -0.000 0.000 0.257 213 N C 0.192 175.712 175.510 0.017 0.000 0.970 213 N CA -0.173 52.902 53.050 0.041 0.000 0.938 213 N CB 1.052 39.552 38.487 0.021 0.000 1.144 213 N HN 0.010 nan 8.380 nan 0.000 0.500 214 Q N 2.962 122.781 119.800 0.032 0.000 2.247 214 Q HA 0.222 4.562 4.340 -0.000 0.000 0.211 214 Q C 0.918 176.936 176.000 0.029 0.000 0.861 214 Q CA -0.080 55.737 55.803 0.023 0.000 0.949 214 Q CB 0.799 29.553 28.738 0.026 0.000 1.115 214 Q HN 0.616 nan 8.270 nan 0.000 0.507 215 L N 1.041 122.288 121.223 0.041 0.000 1.947 215 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 215 L C 0.520 177.410 176.870 0.033 0.000 1.098 215 L CA 1.198 56.068 54.840 0.050 0.000 0.767 215 L CB -0.179 41.927 42.059 0.079 0.000 0.891 215 L HN 0.313 nan 8.230 nan 0.000 0.436 216 D N -4.349 116.064 120.400 0.023 0.000 2.764 216 D HA -0.009 4.631 4.640 -0.000 0.000 0.293 216 D C -0.096 176.205 176.300 0.001 0.000 1.287 216 D CA -0.627 53.382 54.000 0.015 0.000 0.768 216 D CB 0.800 41.614 40.800 0.023 0.000 1.288 216 D HN -0.128 nan 8.370 nan 0.000 0.426 217 Q N -0.250 119.557 119.800 0.012 0.000 2.449 217 Q HA -0.016 4.324 4.340 -0.000 0.000 0.214 217 Q C -0.399 175.592 176.000 -0.014 0.000 0.986 217 Q CA 1.230 57.042 55.803 0.015 0.000 0.893 217 Q CB -0.481 28.286 28.738 0.048 0.000 0.940 217 Q HN 0.424 nan 8.270 nan 0.000 0.477 218 N N 1.710 120.389 118.700 -0.035 0.000 2.444 218 N HA 0.191 4.931 4.740 -0.000 0.000 0.271 218 N C -2.607 172.727 175.510 -0.295 0.000 1.069 218 N CA -1.476 51.492 53.050 -0.137 0.000 0.965 218 N CB 1.001 39.471 38.487 -0.029 0.000 1.092 218 N HN 0.111 nan 8.380 nan 0.000 0.476 219 P HA 0.249 nan 4.420 nan 0.000 0.278 219 P C -1.004 175.972 177.300 -0.540 0.000 1.238 219 P CA -0.150 62.511 63.100 -0.731 0.000 0.794 219 P CB 1.432 32.274 31.700 -1.430 0.000 0.955 220 R N 1.020 121.341 120.500 -0.297 0.000 2.799 220 R HA 0.617 4.957 4.340 -0.000 0.000 0.270 220 R C -0.597 175.642 176.300 -0.102 0.000 1.010 220 R CA -1.014 54.979 56.100 -0.179 0.000 0.916 220 R CB 2.144 32.296 30.300 -0.247 0.000 1.228 220 R HN 0.352 nan 8.270 nan 0.000 0.469 221 K N 1.740 122.016 120.400 -0.207 0.000 2.640 221 K HA 0.335 4.655 4.320 -0.000 0.000 0.245 221 K C -1.551 174.780 176.600 -0.448 0.000 0.962 221 K CA -0.369 55.794 56.287 -0.206 0.000 0.896 221 K CB 0.837 33.275 32.500 -0.103 0.000 1.147 221 K HN 0.313 nan 8.250 nan 0.000 0.445 222 F N 3.799 123.393 119.950 -0.593 0.000 2.413 222 F HA 0.250 4.777 4.527 -0.000 0.000 0.359 222 F C 0.073 175.459 175.800 -0.690 0.000 1.122 222 F CA -0.288 57.302 58.000 -0.683 0.000 1.160 222 F CB 0.194 38.478 39.000 -1.193 0.000 1.146 222 F HN 0.372 nan 8.300 nan 0.000 0.514 223 Y N 3.134 123.347 120.300 -0.145 0.000 2.299 223 Y HA 0.289 4.839 4.550 -0.000 0.000 0.326 223 Y C 0.947 176.843 175.900 -0.007 0.000 1.164 223 Y CA -0.245 57.816 58.100 -0.065 0.000 1.234 223 Y CB 1.027 39.462 38.460 -0.041 0.000 1.219 223 Y HN 0.471 nan 8.280 nan 0.000 0.497 224 L N 2.851 124.196 121.223 0.202 0.000 2.728 224 L HA 0.515 4.855 4.340 -0.000 0.000 0.238 224 L C 0.070 177.138 176.870 0.330 0.000 1.143 224 L CA 0.001 54.963 54.840 0.203 0.000 0.937 224 L CB -0.037 42.131 42.059 0.182 0.000 1.225 224 L HN 0.674 nan 8.230 nan 0.000 0.507 225 A N -1.004 121.983 122.820 0.279 0.000 2.599 225 A HA 0.650 4.970 4.320 -0.000 0.000 0.294 225 A C -0.049 177.598 177.584 0.104 0.000 1.055 225 A CA 0.020 52.175 52.037 0.197 0.000 0.683 225 A CB 0.656 19.738 19.000 0.136 0.000 1.278 225 A HN 0.242 nan 8.150 nan 0.000 0.412 226 G N 0.337 109.163 108.800 0.043 0.000 2.796 226 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.226 226 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.226 226 G C -0.183 174.688 174.900 -0.048 0.000 1.381 226 G CA 0.104 45.188 45.100 -0.027 0.000 0.867 226 G HN 1.809 nan 8.290 nan 0.000 0.552 227 N N 1.188 119.834 118.700 -0.090 0.000 2.851 227 N HA 0.460 5.200 4.740 -0.000 0.000 0.248 227 N C -2.301 173.116 175.510 -0.156 0.000 1.221 227 N CA -1.409 51.584 53.050 -0.094 0.000 0.847 227 N CB 1.546 39.996 38.487 -0.062 0.000 1.150 227 N HN 0.525 nan 8.380 nan 0.000 0.507 228 P HA 0.139 nan 4.420 nan 0.000 0.276 228 P C -0.845 176.326 177.300 -0.214 0.000 1.252 228 P CA -0.163 62.729 63.100 -0.347 0.000 0.802 228 P CB 1.524 32.756 31.700 -0.780 0.000 1.035 229 E N 0.718 120.803 120.200 -0.191 0.000 2.231 229 E HA 0.170 4.520 4.350 -0.000 0.000 0.277 229 E C -0.400 176.133 176.600 -0.112 0.000 0.999 229 E CA -0.733 55.591 56.400 -0.127 0.000 0.827 229 E CB 0.496 30.127 29.700 -0.115 0.000 1.101 229 E HN 0.349 nan 8.360 nan 0.000 0.393 230 N N 2.635 121.286 118.700 -0.081 0.000 2.412 230 N HA -0.062 4.678 4.740 -0.000 0.000 0.258 230 N C 0.225 175.676 175.510 -0.099 0.000 1.236 230 N CA 0.420 53.431 53.050 -0.065 0.000 0.882 230 N CB 0.528 38.991 38.487 -0.040 0.000 1.066 230 N HN 0.501 nan 8.380 nan 0.000 0.465 231 E N 0.747 120.850 120.200 -0.162 0.000 2.079 231 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 231 E C 0.294 176.666 176.600 -0.380 0.000 0.961 231 E CA 0.800 56.992 56.400 -0.348 0.000 0.823 231 E CB 0.026 29.390 29.700 -0.560 0.000 0.789 231 E HN 0.515 nan 8.360 nan 0.000 0.459 232 F N 1.866 121.824 119.950 0.013 0.000 2.403 232 F HA 0.059 4.586 4.527 0.000 0.000 0.263 232 F C 0.933 176.847 175.800 0.190 0.000 1.020 232 F CA -0.550 57.540 58.000 0.149 0.000 1.091 232 F CB -0.412 38.400 39.000 -0.313 0.000 1.141 232 F HN -0.162 nan 8.300 nan 0.000 0.633 233 N N 3.388 122.252 118.700 0.273 0.000 2.300 233 N HA -0.173 4.567 4.740 -0.000 0.000 0.289 233 N C -0.434 175.130 175.510 0.091 0.000 1.226 233 N CA 0.257 53.394 53.050 0.145 0.000 1.153 233 N CB -0.367 38.128 38.487 0.013 0.000 1.465 233 N HN 0.378 nan 8.380 nan 0.000 0.490 234 Q N 1.349 121.219 119.800 0.116 0.000 2.337 234 Q HA -0.016 4.324 4.340 -0.000 0.000 0.255 234 Q C 0.377 176.385 176.000 0.014 0.000 1.205 234 Q CA 0.536 56.365 55.803 0.042 0.000 0.902 234 Q CB -0.254 28.500 28.738 0.027 0.000 1.433 234 Q HN 0.684 nan 8.270 nan 0.000 0.471 235 Q N 1.954 121.751 119.800 -0.004 0.000 2.357 235 Q HA -0.180 4.160 4.340 -0.000 0.000 0.366 235 Q C 0.945 176.940 176.000 -0.008 0.000 1.256 235 Q CA 1.864 57.659 55.803 -0.013 0.000 1.183 235 Q CB -2.180 26.545 28.738 -0.021 0.000 1.346 235 Q HN 1.152 nan 8.270 nan 0.000 0.307 236 G N -2.811 105.988 108.800 -0.003 0.000 2.561 236 G HA2 0.343 4.303 3.960 -0.000 0.000 0.203 236 G HA3 0.343 4.303 3.960 -0.000 0.000 0.203 236 G C 1.172 176.078 174.900 0.011 0.000 1.101 236 G CA 1.327 46.427 45.100 -0.000 0.000 0.711 236 G HN 2.551 nan 8.290 nan 0.000 0.511 269 N N -1.500 117.175 118.700 -0.042 0.000 4.952 269 N HA -0.010 4.730 4.740 -0.000 0.000 0.212 269 N C -0.854 174.656 175.510 0.001 0.000 1.162 269 N CA -0.569 52.467 53.050 -0.023 0.000 0.706 269 N CB 0.426 38.902 38.487 -0.019 0.000 1.629 269 N HN 0.864 nan 8.380 nan 0.000 0.449 270 N N -0.537 118.186 118.700 0.039 0.000 2.448 270 N HA 0.280 5.020 4.740 -0.000 0.000 0.274 270 N C 1.185 176.705 175.510 0.016 0.000 1.239 270 N CA -0.327 52.771 53.050 0.081 0.000 0.982 270 N CB 1.352 39.941 38.487 0.170 0.000 1.199 270 N HN 0.349 nan 8.380 nan 0.000 0.576 271 V N -1.498 118.404 119.914 -0.020 0.000 2.515 271 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 271 V C 1.847 177.751 176.094 -0.317 0.000 1.058 271 V CA 1.122 63.326 62.300 -0.160 0.000 1.064 271 V CB -1.265 30.500 31.823 -0.096 0.000 0.675 271 V HN 0.648 nan 8.190 nan 0.000 0.461 272 F N 2.491 122.408 119.950 -0.054 0.000 2.126 272 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 272 F C 2.938 178.699 175.800 -0.066 0.000 1.096 272 F CA 2.271 60.300 58.000 0.048 0.000 1.255 272 F CB -0.548 38.537 39.000 0.142 0.000 0.997 272 F HN 0.416 nan 8.300 nan 0.000 0.479 273 S N -0.149 115.631 115.700 0.133 0.000 2.571 273 S HA -0.084 4.386 4.470 -0.000 0.000 0.245 273 S C 1.907 176.480 174.600 -0.046 0.000 0.976 273 S CA 0.940 59.170 58.200 0.051 0.000 0.954 273 S CB -0.868 62.352 63.200 0.033 0.000 0.756 273 S HN 0.367 nan 8.310 nan 0.000 0.535 274 G N -0.430 108.235 108.800 -0.225 0.000 2.744 274 G HA2 0.328 4.288 3.960 -0.000 0.000 0.211 274 G HA3 0.328 4.288 3.960 -0.000 0.000 0.211 274 G C 0.113 174.880 174.900 -0.222 0.000 1.146 274 G CA -0.346 44.584 45.100 -0.284 0.000 0.787 274 G HN 0.449 nan 8.290 nan 0.000 0.534 275 F N 0.119 120.131 119.950 0.103 0.000 2.368 275 F HA 0.365 4.892 4.527 -0.000 0.000 0.315 275 F C 0.520 176.364 175.800 0.073 0.000 1.145 275 F CA -2.191 55.864 58.000 0.091 0.000 1.095 275 F CB 0.515 39.588 39.000 0.122 0.000 1.286 275 F HN -0.098 nan 8.300 nan 0.000 0.530 276 N N 0.404 119.277 118.700 0.289 0.000 2.466 276 N HA 0.046 4.786 4.740 -0.000 0.000 0.263 276 N C 0.795 176.388 175.510 0.140 0.000 1.178 276 N CA 0.316 53.461 53.050 0.159 0.000 0.983 276 N CB 0.289 38.844 38.487 0.114 0.000 1.331 276 N HN 0.585 nan 8.380 nan 0.000 0.500 277 T N 1.674 116.304 114.554 0.125 0.000 2.684 277 T HA -0.438 3.912 4.350 -0.000 0.000 0.259 277 T C 1.481 176.220 174.700 0.065 0.000 1.086 277 T CA 2.221 64.377 62.100 0.094 0.000 1.155 277 T CB -0.562 68.342 68.868 0.060 0.000 0.848 277 T HN 0.748 nan 8.240 nan 0.000 0.464 278 Q N 0.303 120.133 119.800 0.051 0.000 2.002 278 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 278 Q C 2.348 178.366 176.000 0.029 0.000 0.988 278 Q CA 1.643 57.465 55.803 0.032 0.000 0.843 278 Q CB -0.432 28.323 28.738 0.027 0.000 0.908 278 Q HN 0.442 nan 8.270 nan 0.000 0.420 279 L N 0.637 121.881 121.223 0.035 0.000 1.990 279 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 279 L C 2.222 179.092 176.870 -0.000 0.000 1.072 279 L CA 1.859 56.708 54.840 0.015 0.000 0.755 279 L CB -1.220 40.849 42.059 0.017 0.000 0.889 279 L HN 0.545 nan 8.230 nan 0.000 0.432 280 L N 0.250 121.491 121.223 0.031 0.000 1.971 280 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 280 L C 2.573 179.452 176.870 0.015 0.000 1.072 280 L CA 2.483 57.343 54.840 0.034 0.000 0.758 280 L CB -1.668 40.483 42.059 0.153 0.000 0.889 280 L HN 0.347 nan 8.230 nan 0.000 0.433 281 A N -1.037 121.792 122.820 0.016 0.000 1.903 281 A HA -0.362 3.958 4.320 -0.000 0.000 0.219 281 A C 2.348 179.928 177.584 -0.006 0.000 1.191 281 A CA 2.291 54.326 52.037 -0.003 0.000 0.638 281 A CB -0.887 18.113 19.000 -0.001 0.000 0.823 281 A HN 0.713 nan 8.150 nan 0.000 0.451 282 Q N -0.969 118.829 119.800 -0.004 0.000 2.096 282 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 282 Q C 2.299 178.292 176.000 -0.013 0.000 0.982 282 Q CA 1.646 57.444 55.803 -0.008 0.000 0.850 282 Q CB -0.367 28.367 28.738 -0.007 0.000 0.901 282 Q HN 0.668 nan 8.270 nan 0.000 0.422 283 A N 0.560 123.368 122.820 -0.020 0.000 1.865 283 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 283 A C 2.004 179.582 177.584 -0.010 0.000 1.191 283 A CA 1.373 53.395 52.037 -0.026 0.000 0.623 283 A CB -0.878 18.091 19.000 -0.052 0.000 0.826 283 A HN 0.456 nan 8.150 nan 0.000 0.444 284 L N -1.330 119.891 121.223 -0.004 0.000 2.201 284 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 284 L C 0.688 177.554 176.870 -0.006 0.000 1.105 284 L CA 0.806 55.646 54.840 -0.000 0.000 0.775 284 L CB -0.361 41.690 42.059 -0.015 0.000 0.913 284 L HN 0.653 nan 8.230 nan 0.000 0.440 285 N N 0.154 118.848 118.700 -0.009 0.000 2.725 285 N HA -0.176 4.564 4.740 -0.000 0.000 0.256 285 N C -1.113 174.390 175.510 -0.011 0.000 1.087 285 N CA 0.622 53.667 53.050 -0.008 0.000 0.690 285 N CB -0.811 37.673 38.487 -0.005 0.000 0.891 285 N HN 0.107 nan 8.380 nan 0.000 0.553 286 V N 2.807 122.712 119.914 -0.015 0.000 2.823 286 V HA 0.295 4.415 4.120 -0.000 0.000 0.296 286 V C -0.404 175.678 176.094 -0.020 0.000 1.250 286 V CA -0.665 61.623 62.300 -0.020 0.000 0.939 286 V CB 1.613 33.419 31.823 -0.029 0.000 1.062 286 V HN 0.513 nan 8.190 nan 0.000 0.433 287 N N 4.915 123.605 118.700 -0.016 0.000 1.990 287 N HA -0.158 4.582 4.740 -0.000 0.000 0.291 287 N C 0.753 176.254 175.510 -0.016 0.000 1.249 287 N CA 1.122 54.163 53.050 -0.014 0.000 0.808 287 N CB 0.674 39.153 38.487 -0.014 0.000 1.040 287 N HN 0.856 nan 8.380 nan 0.000 0.484 288 E N 1.709 121.904 120.200 -0.010 0.000 2.147 288 E HA -0.317 4.033 4.350 -0.000 0.000 0.199 288 E C 2.060 178.652 176.600 -0.013 0.000 1.005 288 E CA 2.274 58.670 56.400 -0.007 0.000 0.810 288 E CB -0.367 29.333 29.700 0.000 0.000 0.736 288 E HN 0.922 nan 8.360 nan 0.000 0.460 289 E N 1.201 121.392 120.200 -0.015 0.000 2.058 289 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 289 E C 2.098 178.680 176.600 -0.029 0.000 0.997 289 E CA 2.027 58.416 56.400 -0.018 0.000 0.801 289 E CB -1.506 28.184 29.700 -0.017 0.000 0.746 289 E HN 0.525 nan 8.360 nan 0.000 0.450 290 T N -1.990 112.543 114.554 -0.035 0.000 2.777 290 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 290 T C 2.367 177.025 174.700 -0.071 0.000 1.040 290 T CA 2.010 64.079 62.100 -0.051 0.000 1.141 290 T CB -0.368 68.469 68.868 -0.052 0.000 0.868 290 T HN 0.643 nan 8.240 nan 0.000 0.444 291 A N 2.670 125.453 122.820 -0.063 0.000 1.865 291 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 291 A C 2.584 180.131 177.584 -0.061 0.000 1.191 291 A CA 1.515 53.507 52.037 -0.075 0.000 0.623 291 A CB -0.727 18.254 19.000 -0.033 0.000 0.826 291 A HN 0.525 nan 8.150 nan 0.000 0.444 292 R N -0.162 120.321 120.500 -0.028 0.000 2.200 292 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 292 R C 1.760 178.044 176.300 -0.028 0.000 1.127 292 R CA 0.983 57.076 56.100 -0.012 0.000 0.989 292 R CB -0.569 29.727 30.300 -0.007 0.000 0.869 292 R HN 0.583 nan 8.270 nan 0.000 0.459 293 N N 1.247 119.917 118.700 -0.050 0.000 2.006 293 N HA -0.157 4.583 4.740 -0.000 0.000 0.196 293 N C 2.007 177.476 175.510 -0.067 0.000 1.057 293 N CA 1.336 54.351 53.050 -0.058 0.000 0.853 293 N CB -0.309 38.136 38.487 -0.071 0.000 1.051 293 N HN 0.103 nan 8.380 nan 0.000 0.423 294 L N 1.672 122.814 121.223 -0.136 0.000 2.026 294 L HA -0.312 4.028 4.340 -0.000 0.000 0.231 294 L C 2.462 179.312 176.870 -0.033 0.000 1.095 294 L CA 1.752 56.470 54.840 -0.204 0.000 0.810 294 L CB -0.839 40.879 42.059 -0.568 0.000 0.909 294 L HN 0.305 nan 8.230 nan 0.000 0.444 295 Q N 0.082 119.889 119.800 0.012 0.000 2.325 295 Q HA -0.123 4.217 4.340 -0.000 0.000 0.211 295 Q C 1.197 177.228 176.000 0.050 0.000 0.988 295 Q CA 0.628 56.484 55.803 0.088 0.000 0.887 295 Q CB -0.592 28.191 28.738 0.075 0.000 0.915 295 Q HN 0.680 nan 8.270 nan 0.000 0.440 296 G N 1.676 110.486 108.800 0.017 0.000 2.306 296 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.274 296 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.274 296 G C 0.238 175.135 174.900 -0.004 0.000 0.890 296 G CA 0.688 45.789 45.100 0.001 0.000 1.298 296 G HN 0.463 nan 8.290 nan 0.000 0.445 297 Q N -0.245 119.552 119.800 -0.004 0.000 2.302 297 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 297 Q C 2.052 178.042 176.000 -0.016 0.000 0.936 297 Q CA 1.209 57.006 55.803 -0.009 0.000 0.886 297 Q CB 0.077 28.812 28.738 -0.004 0.000 0.986 297 Q HN 0.806 nan 8.270 nan 0.000 0.487 298 N N -0.229 118.462 118.700 -0.016 0.000 2.314 298 N HA -0.024 4.716 4.740 -0.000 0.000 0.200 298 N C -0.560 174.936 175.510 -0.024 0.000 1.135 298 N CA 0.103 53.142 53.050 -0.019 0.000 0.835 298 N CB 0.294 38.771 38.487 -0.017 0.000 0.989 298 N HN -0.005 nan 8.380 nan 0.000 0.478 299 D N 0.862 121.246 120.400 -0.027 0.000 2.347 299 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 299 D C -0.900 175.375 176.300 -0.042 0.000 1.149 299 D CA -0.140 53.840 54.000 -0.034 0.000 0.850 299 D CB 0.301 41.080 40.800 -0.035 0.000 1.061 299 D HN 0.162 nan 8.370 nan 0.000 0.487 300 N N 4.334 123.010 118.700 -0.040 0.000 3.114 300 N HA 0.145 4.885 4.740 -0.000 0.000 0.289 300 N C 0.371 175.852 175.510 -0.048 0.000 1.519 300 N CA -0.148 52.875 53.050 -0.044 0.000 1.026 300 N CB 0.428 38.894 38.487 -0.036 0.000 1.306 300 N HN 0.423 nan 8.380 nan 0.000 0.495 301 R N 0.405 120.870 120.500 -0.059 0.000 2.551 301 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 301 R C -0.466 175.784 176.300 -0.083 0.000 0.861 301 R CA -0.307 55.757 56.100 -0.060 0.000 1.018 301 R CB 0.304 30.576 30.300 -0.048 0.000 1.435 301 R HN 0.215 nan 8.270 nan 0.000 0.659 302 N N 0.591 119.223 118.700 -0.114 0.000 5.617 302 N HA -0.165 4.575 4.740 -0.000 0.000 0.380 302 N C 0.472 175.868 175.510 -0.189 0.000 1.335 302 N CA 0.834 53.782 53.050 -0.169 0.000 2.459 302 N CB -0.268 38.132 38.487 -0.145 0.000 0.592 302 N HN 0.128 nan 8.380 nan 0.000 0.666 303 Q N -0.073 119.544 119.800 -0.304 0.000 2.293 303 Q HA -0.259 4.081 4.340 -0.000 0.000 0.223 303 Q C 0.601 176.578 176.000 -0.039 0.000 1.087 303 Q CA 2.243 57.893 55.803 -0.256 0.000 0.966 303 Q CB -0.826 27.787 28.738 -0.208 0.000 1.076 303 Q HN 0.809 nan 8.270 nan 0.000 0.488 304 I N 2.011 122.542 120.570 -0.066 0.000 2.342 304 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 304 I C 0.195 176.313 176.117 0.003 0.000 1.010 304 I CA -0.736 60.561 61.300 -0.006 0.000 1.308 304 I CB 0.842 38.811 38.000 -0.052 0.000 1.400 304 I HN 0.054 nan 8.210 nan 0.000 0.488 305 I N 4.504 125.102 120.570 0.046 0.000 2.822 305 I HA 0.333 4.503 4.170 -0.000 0.000 0.312 305 I C -0.031 176.123 176.117 0.061 0.000 1.011 305 I CA -0.860 60.462 61.300 0.037 0.000 1.105 305 I CB 1.544 39.564 38.000 0.033 0.000 1.291 305 I HN 0.540 nan 8.210 nan 0.000 0.474 306 Q N 2.655 122.481 119.800 0.044 0.000 2.290 306 Q HA 0.520 4.860 4.340 -0.000 0.000 0.259 306 Q C -1.371 174.670 176.000 0.067 0.000 0.941 306 Q CA -0.388 55.447 55.803 0.054 0.000 0.912 306 Q CB 1.426 30.179 28.738 0.027 0.000 1.244 306 Q HN 0.426 nan 8.270 nan 0.000 0.441 307 V N 3.732 123.715 119.914 0.114 0.000 2.743 307 V HA 0.425 4.545 4.120 -0.000 0.000 0.301 307 V C 0.150 176.283 176.094 0.065 0.000 1.057 307 V CA -0.967 61.393 62.300 0.099 0.000 1.006 307 V CB 1.331 33.258 31.823 0.173 0.000 1.024 307 V HN 0.737 nan 8.190 nan 0.000 0.473 308 R N 2.850 123.369 120.500 0.031 0.000 2.498 308 R HA 0.386 4.726 4.340 -0.000 0.000 0.334 308 R C 0.931 177.248 176.300 0.029 0.000 1.106 308 R CA 1.187 57.299 56.100 0.019 0.000 0.995 308 R CB -0.894 29.406 30.300 0.001 0.000 0.989 308 R HN 1.172 nan 8.270 nan 0.000 0.455 309 G N 3.511 112.334 108.800 0.039 0.000 2.629 309 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.313 309 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.313 309 G C -0.345 174.598 174.900 0.073 0.000 1.217 309 G CA 0.349 45.474 45.100 0.043 0.000 0.994 309 G HN 0.660 nan 8.290 nan 0.000 0.549 310 N N 0.575 119.310 118.700 0.058 0.000 2.438 310 N HA 0.565 5.305 4.740 -0.000 0.000 0.282 310 N C -0.114 175.422 175.510 0.043 0.000 1.037 310 N CA -0.500 52.599 53.050 0.082 0.000 0.942 310 N CB 1.428 39.943 38.487 0.045 0.000 1.136 310 N HN 0.695 nan 8.380 nan 0.000 0.481 311 L N 1.979 123.237 121.223 0.058 0.000 2.371 311 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 311 L C -0.241 176.540 176.870 -0.148 0.000 1.124 311 L CA 0.306 55.054 54.840 -0.152 0.000 0.816 311 L CB 0.629 42.276 42.059 -0.688 0.000 1.129 311 L HN 0.496 nan 8.230 nan 0.000 0.448 312 D N 4.142 124.466 120.400 -0.127 0.000 2.738 312 D HA 0.250 4.890 4.640 -0.000 0.000 0.218 312 D C -1.140 175.101 176.300 -0.098 0.000 1.345 312 D CA -0.243 53.618 54.000 -0.232 0.000 0.943 312 D CB 0.927 41.640 40.800 -0.144 0.000 1.514 312 D HN 0.362 nan 8.370 nan 0.000 0.585 313 F N 0.816 120.780 119.950 0.022 0.000 3.208 313 F HA 0.611 5.138 4.527 -0.000 0.000 0.286 313 F C -0.300 175.621 175.800 0.202 0.000 1.532 313 F CA -0.855 57.200 58.000 0.091 0.000 1.004 313 F CB 0.146 39.138 39.000 -0.013 0.000 1.777 313 F HN -0.064 nan 8.300 nan 0.000 0.384 314 V N 1.823 122.269 119.914 0.887 0.000 2.174 314 V HA 0.273 4.393 4.120 -0.000 0.000 0.259 314 V C -0.243 176.218 176.094 0.611 0.000 1.261 314 V CA -0.160 62.465 62.300 0.542 0.000 1.137 314 V CB -0.306 31.729 31.823 0.353 0.000 1.290 314 V HN 0.596 nan 8.190 nan 0.000 0.486 315 Q N 5.338 125.303 119.800 0.275 0.000 2.256 315 Q HA 0.447 4.787 4.340 -0.000 0.000 0.232 315 Q C -1.825 174.250 176.000 0.124 0.000 0.965 315 Q CA -1.298 54.665 55.803 0.267 0.000 0.908 315 Q CB 1.584 30.278 28.738 -0.073 0.000 1.209 315 Q HN 0.414 nan 8.270 nan 0.000 0.489 316 P HA 0.374 nan 4.420 nan 0.000 0.325 316 P C -2.498 174.814 177.300 0.021 0.000 1.658 316 P CA -0.719 62.392 63.100 0.019 0.000 1.429 316 P CB 0.579 32.250 31.700 -0.049 0.000 1.663 317 P HA 0.276 nan 4.420 nan 0.000 0.271 317 P C 0.220 177.523 177.300 0.005 0.000 1.216 317 P CA 0.255 63.369 63.100 0.023 0.000 0.776 317 P CB 0.491 32.207 31.700 0.026 0.000 0.881 350 E N 1.699 121.876 120.200 -0.038 0.000 2.452 350 E HA -0.208 4.142 4.350 -0.000 0.000 0.155 350 E C 0.353 176.918 176.600 -0.059 0.000 1.746 350 E CA 1.323 57.681 56.400 -0.070 0.000 0.636 350 E CB -1.005 28.689 29.700 -0.009 0.000 1.069 350 E HN 0.784 nan 8.360 nan 0.000 0.335 351 E N -1.051 119.095 120.200 -0.090 0.000 2.442 351 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 351 E C 1.522 178.059 176.600 -0.105 0.000 1.030 351 E CA 1.009 57.371 56.400 -0.063 0.000 0.869 351 E CB 0.257 29.921 29.700 -0.060 0.000 0.857 351 E HN 0.708 nan 8.360 nan 0.000 0.505 352 T N -1.242 113.187 114.554 -0.209 0.000 3.203 352 T HA 0.030 4.380 4.350 -0.000 0.000 0.183 352 T C 1.573 176.143 174.700 -0.216 0.000 0.730 352 T CA -0.102 61.799 62.100 -0.332 0.000 2.473 352 T CB -0.970 67.450 68.868 -0.746 0.000 2.163 352 T HN 0.018 nan 8.240 nan 0.000 0.381 353 F N 1.361 121.258 119.950 -0.088 0.000 2.027 353 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 353 F C 3.197 178.889 175.800 -0.179 0.000 1.129 353 F CA 1.065 58.977 58.000 -0.147 0.000 1.195 353 F CB -1.221 37.687 39.000 -0.152 0.000 0.960 353 F HN 0.354 nan 8.300 nan 0.000 0.485 354 c N -0.206 118.443 118.600 0.080 0.000 2.400 354 c HA -0.133 4.437 4.570 -0.000 0.000 0.291 354 c C 1.976 176.119 174.090 0.089 0.000 1.372 354 c CA 1.064 57.433 56.329 0.066 0.000 1.800 354 c CB -1.502 41.075 42.510 0.112 0.000 1.869 354 c HN 0.332 nan 8.230 nan 0.000 0.533 355 S N 0.497 116.219 115.700 0.037 0.000 2.562 355 S HA 0.291 4.761 4.470 -0.000 0.000 0.246 355 S C 0.313 174.931 174.600 0.031 0.000 1.056 355 S CA -0.435 57.798 58.200 0.054 0.000 1.042 355 S CB -0.314 62.909 63.200 0.039 0.000 0.822 355 S HN 0.665 nan 8.310 nan 0.000 0.465 356 L N -0.000 121.218 121.223 -0.009 0.000 2.473 356 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 356 L C 0.291 177.177 176.870 0.027 0.000 1.215 356 L CA -0.749 54.081 54.840 -0.016 0.000 0.823 356 L CB 0.437 42.445 42.059 -0.084 0.000 1.099 356 L HN 0.002 nan 8.230 nan 0.000 0.483 357 R N 1.263 121.778 120.500 0.026 0.000 2.438 357 R HA 0.318 4.658 4.340 -0.000 0.000 0.287 357 R C 0.153 176.479 176.300 0.043 0.000 1.077 357 R CA -0.405 55.717 56.100 0.036 0.000 1.034 357 R CB 0.810 31.127 30.300 0.028 0.000 0.993 357 R HN 0.709 nan 8.270 nan 0.000 0.459 358 L N 3.379 124.630 121.223 0.046 0.000 2.817 358 L HA 0.238 4.578 4.340 -0.000 0.000 0.248 358 L C -0.538 176.338 176.870 0.009 0.000 1.133 358 L CA 0.570 55.435 54.840 0.042 0.000 0.935 358 L CB 0.066 42.160 42.059 0.059 0.000 1.266 358 L HN 0.585 nan 8.230 nan 0.000 0.535 359 K N -1.137 119.268 120.400 0.008 0.000 2.536 359 K HA 0.713 5.033 4.320 -0.000 0.000 0.269 359 K C -1.001 175.606 176.600 0.012 0.000 0.965 359 K CA -0.809 55.477 56.287 -0.001 0.000 0.860 359 K CB 2.485 34.969 32.500 -0.026 0.000 1.423 359 K HN -0.121 nan 8.250 nan 0.000 0.438 360 E N 1.186 121.397 120.200 0.019 0.000 2.335 360 E HA 0.208 4.558 4.350 -0.000 0.000 0.280 360 E C -1.794 174.826 176.600 0.033 0.000 0.918 360 E CA -0.772 55.645 56.400 0.029 0.000 0.765 360 E CB 1.795 31.521 29.700 0.042 0.000 1.218 360 E HN 0.656 nan 8.360 nan 0.000 0.425 361 N N 4.266 122.982 118.700 0.027 0.000 2.420 361 N HA 0.237 4.977 4.740 -0.000 0.000 0.249 361 N C 0.252 175.798 175.510 0.060 0.000 1.033 361 N CA -0.307 52.760 53.050 0.030 0.000 0.944 361 N CB 0.588 39.081 38.487 0.010 0.000 1.113 361 N HN 0.562 nan 8.380 nan 0.000 0.502 362 I N 0.706 121.342 120.570 0.109 0.000 3.856 362 I HA 0.512 4.682 4.170 -0.000 0.000 0.333 362 I C 0.958 177.163 176.117 0.147 0.000 1.525 362 I CA -0.538 60.834 61.300 0.120 0.000 1.173 362 I CB 0.507 38.594 38.000 0.144 0.000 1.175 362 I HN 0.491 nan 8.210 nan 0.000 0.424 363 G N 2.218 111.104 108.800 0.143 0.000 2.556 363 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.209 363 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.209 363 G C 0.716 175.681 174.900 0.108 0.000 1.159 363 G CA -0.040 45.157 45.100 0.162 0.000 0.828 363 G HN 0.559 nan 8.290 nan 0.000 0.553 364 N N 1.687 120.429 118.700 0.071 0.000 2.454 364 N HA 0.110 4.850 4.740 -0.000 0.000 0.254 364 N C -2.011 173.518 175.510 0.032 0.000 1.228 364 N CA -0.840 52.242 53.050 0.053 0.000 0.900 364 N CB 1.662 40.166 38.487 0.027 0.000 1.089 364 N HN -0.084 nan 8.380 nan 0.000 0.449 365 P HA -0.084 nan 4.420 nan 0.000 0.217 365 P C 1.385 178.611 177.300 -0.124 0.000 1.150 365 P CA 2.604 65.674 63.100 -0.050 0.000 0.832 365 P CB -0.114 31.554 31.700 -0.053 0.000 0.787 366 E N 0.670 120.816 120.200 -0.090 0.000 2.219 366 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 366 E C 1.819 178.372 176.600 -0.079 0.000 0.998 366 E CA 1.276 57.618 56.400 -0.096 0.000 0.818 366 E CB -1.285 28.382 29.700 -0.054 0.000 0.741 366 E HN 0.357 nan 8.360 nan 0.000 0.477 367 R N -0.442 120.028 120.500 -0.050 0.000 2.480 367 R HA 0.475 4.815 4.340 -0.000 0.000 0.277 367 R C 0.601 176.883 176.300 -0.030 0.000 1.008 367 R CA 0.218 56.300 56.100 -0.029 0.000 1.090 367 R CB 0.432 30.731 30.300 -0.001 0.000 1.234 367 R HN 0.391 nan 8.270 nan 0.000 0.549 368 A N 0.724 123.505 122.820 -0.064 0.000 2.445 368 A HA 0.057 4.377 4.320 -0.000 0.000 0.242 368 A C -0.055 177.513 177.584 -0.027 0.000 1.075 368 A CA -0.104 51.901 52.037 -0.052 0.000 0.777 368 A CB 0.355 19.296 19.000 -0.098 0.000 1.013 368 A HN 0.165 nan 8.150 nan 0.000 0.493 369 D N 0.091 120.486 120.400 -0.009 0.000 2.388 369 D HA 0.238 4.878 4.640 -0.000 0.000 0.208 369 D C -0.137 176.167 176.300 0.006 0.000 1.035 369 D CA 0.685 54.683 54.000 -0.003 0.000 0.875 369 D CB 0.246 41.043 40.800 -0.004 0.000 0.984 369 D HN 0.507 nan 8.370 nan 0.000 0.508 370 I N 0.268 120.842 120.570 0.007 0.000 2.582 370 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 370 I C -1.475 174.689 176.117 0.078 0.000 1.066 370 I CA -1.137 60.166 61.300 0.005 0.000 1.053 370 I CB 2.395 40.359 38.000 -0.059 0.000 1.241 370 I HN -0.227 nan 8.210 nan 0.000 0.421 371 F N 4.887 124.761 119.950 -0.126 0.000 2.654 371 F HA 0.585 5.112 4.527 -0.000 0.000 0.314 371 F C -1.427 174.308 175.800 -0.108 0.000 1.116 371 F CA -0.324 57.592 58.000 -0.140 0.000 1.017 371 F CB 1.875 40.818 39.000 -0.095 0.000 1.285 371 F HN 0.313 nan 8.300 nan 0.000 0.448 372 S N 6.953 122.023 115.700 -1.051 0.000 2.750 372 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 372 S C -2.204 171.884 174.600 -0.853 0.000 1.165 372 S CA -1.240 56.416 58.200 -0.907 0.000 1.047 372 S CB 1.707 64.657 63.200 -0.417 0.000 1.056 372 S HN 0.491 nan 8.310 nan 0.000 0.481 373 P HA -0.181 nan 4.420 nan 0.000 0.226 373 P C 0.600 177.903 177.300 0.005 0.000 1.154 373 P CA 1.440 64.387 63.100 -0.255 0.000 0.918 373 P CB 0.178 31.783 31.700 -0.160 0.000 0.790 374 R N -2.431 118.052 120.500 -0.029 0.000 2.609 374 R HA 0.471 4.811 4.340 -0.000 0.000 0.326 374 R C 0.911 177.266 176.300 0.092 0.000 1.090 374 R CA 0.213 56.355 56.100 0.069 0.000 1.072 374 R CB -0.045 30.263 30.300 0.013 0.000 1.330 374 R HN 0.197 nan 8.270 nan 0.000 0.572 375 A N -0.973 121.857 122.820 0.016 0.000 1.949 375 A HA 0.643 4.963 4.320 -0.000 0.000 0.200 375 A C 0.652 177.963 177.584 -0.456 0.000 1.832 375 A CA 0.694 52.660 52.037 -0.119 0.000 1.004 375 A CB 0.652 19.544 19.000 -0.180 0.000 1.102 375 A HN 0.329 nan 8.150 nan 0.000 0.595 376 G N -0.686 107.638 108.800 -0.794 0.000 2.320 376 G HA2 0.494 4.454 3.960 -0.000 0.000 0.297 376 G HA3 0.494 4.454 3.960 -0.000 0.000 0.297 376 G C -1.615 172.842 174.900 -0.739 0.000 1.344 376 G CA -0.324 44.007 45.100 -1.281 0.000 0.851 376 G HN 0.974 nan 8.290 nan 0.000 0.567 377 R N -0.466 119.696 120.500 -0.562 0.000 2.574 377 R HA 0.756 5.096 4.340 -0.000 0.000 0.288 377 R C -1.277 174.915 176.300 -0.179 0.000 1.004 377 R CA -0.954 55.056 56.100 -0.149 0.000 0.895 377 R CB 1.906 32.236 30.300 0.049 0.000 1.191 377 R HN 0.443 nan 8.270 nan 0.000 0.444 378 I N 2.073 122.562 120.570 -0.134 0.000 2.404 378 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 378 I C -0.414 175.681 176.117 -0.036 0.000 0.992 378 I CA -0.956 60.294 61.300 -0.084 0.000 1.149 378 I CB 2.399 40.336 38.000 -0.105 0.000 1.315 378 I HN 0.674 nan 8.210 nan 0.000 0.446 379 S N 3.509 119.197 115.700 -0.021 0.000 2.552 379 S HA 0.456 4.926 4.470 -0.000 0.000 0.314 379 S C -0.270 174.338 174.600 0.014 0.000 1.099 379 S CA -0.517 57.683 58.200 -0.001 0.000 1.070 379 S CB 1.854 65.060 63.200 0.010 0.000 0.998 379 S HN 0.539 nan 8.310 nan 0.000 0.474 380 T N 3.973 118.540 114.554 0.022 0.000 2.895 380 T HA 0.546 4.896 4.350 -0.000 0.000 0.283 380 T C -1.058 173.666 174.700 0.039 0.000 1.014 380 T CA -0.495 61.623 62.100 0.030 0.000 1.037 380 T CB 0.678 69.565 68.868 0.031 0.000 1.006 380 T HN 0.391 nan 8.240 nan 0.000 0.468 381 L N 4.815 126.062 121.223 0.039 0.000 2.406 381 L HA 0.546 4.886 4.340 -0.000 0.000 0.270 381 L C -1.108 175.783 176.870 0.035 0.000 0.982 381 L CA -0.461 54.408 54.840 0.050 0.000 0.843 381 L CB 0.905 43.009 42.059 0.075 0.000 1.225 381 L HN 0.943 nan 8.230 nan 0.000 0.412 382 N N 0.864 119.592 118.700 0.047 0.000 3.522 382 N HA 0.312 5.052 4.740 -0.000 0.000 0.328 382 N C 0.335 175.850 175.510 0.008 0.000 1.623 382 N CA -0.434 52.635 53.050 0.031 0.000 0.812 382 N CB 0.365 38.890 38.487 0.063 0.000 2.008 382 N HN 0.118 nan 8.380 nan 0.000 0.601 383 S N -1.097 114.569 115.700 -0.056 0.000 2.402 383 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 383 S C 1.028 175.505 174.600 -0.204 0.000 1.030 383 S CA 1.065 59.173 58.200 -0.154 0.000 1.003 383 S CB -0.796 62.252 63.200 -0.254 0.000 0.813 383 S HN 0.454 nan 8.310 nan 0.000 0.477 384 H N 0.839 119.912 119.070 0.005 0.000 2.563 384 H HA 0.181 4.737 4.556 -0.000 0.000 0.272 384 H C 1.200 176.532 175.328 0.006 0.000 1.005 384 H CA 0.618 56.667 56.048 0.002 0.000 1.171 384 H CB 0.062 29.820 29.762 -0.007 0.000 1.351 384 H HN 0.426 nan 8.280 nan 0.000 0.602 385 N N 0.041 118.789 118.700 0.081 0.000 2.612 385 N HA 0.019 4.759 4.740 -0.000 0.000 0.224 385 N C 0.106 175.638 175.510 0.036 0.000 1.051 385 N CA -0.006 53.080 53.050 0.060 0.000 0.889 385 N CB 1.007 39.531 38.487 0.062 0.000 1.449 385 N HN 0.088 nan 8.380 nan 0.000 0.442 386 L N 2.533 123.772 121.223 0.025 0.000 2.372 386 L HA 0.456 4.796 4.340 -0.000 0.000 0.274 386 L C -2.160 174.717 176.870 0.012 0.000 0.988 386 L CA -1.690 53.164 54.840 0.022 0.000 0.833 386 L CB 2.250 44.328 42.059 0.031 0.000 1.236 386 L HN -0.181 nan 8.230 nan 0.000 0.410 387 P HA -0.202 nan 4.420 nan 0.000 0.216 387 P C 1.510 178.834 177.300 0.040 0.000 1.154 387 P CA 1.538 64.646 63.100 0.014 0.000 0.865 387 P CB 0.035 31.745 31.700 0.016 0.000 0.789 388 I N -1.773 118.829 120.570 0.053 0.000 2.361 388 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 388 I C 2.226 178.394 176.117 0.086 0.000 1.133 388 I CA 1.413 62.772 61.300 0.097 0.000 1.413 388 I CB -2.081 35.967 38.000 0.080 0.000 1.073 388 I HN 0.020 nan 8.210 nan 0.000 0.424 389 L N 0.414 121.660 121.223 0.038 0.000 2.187 389 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 389 L C 2.849 179.726 176.870 0.012 0.000 1.100 389 L CA 1.166 56.010 54.840 0.008 0.000 0.765 389 L CB -0.695 41.359 42.059 -0.010 0.000 0.904 389 L HN 0.255 nan 8.230 nan 0.000 0.437 390 R N 0.651 121.170 120.500 0.033 0.000 2.082 390 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 390 R C 1.014 177.382 176.300 0.113 0.000 1.136 390 R CA 1.444 57.569 56.100 0.042 0.000 0.935 390 R CB -0.216 30.104 30.300 0.034 0.000 0.842 390 R HN 0.202 nan 8.270 nan 0.000 0.430 391 F N 1.407 121.368 119.950 0.018 0.000 2.515 391 F HA 0.274 4.801 4.527 -0.000 0.000 0.353 391 F C -0.406 175.475 175.800 0.134 0.000 1.213 391 F CA -0.252 57.789 58.000 0.068 0.000 1.194 391 F CB 0.491 39.497 39.000 0.010 0.000 1.488 391 F HN 0.139 nan 8.300 nan 0.000 0.619 392 L N 3.073 124.210 121.223 -0.143 0.000 2.195 392 L HA -0.019 4.321 4.340 -0.000 0.000 0.517 392 L C 0.337 177.185 176.870 -0.037 0.000 0.769 392 L CA 0.056 54.825 54.840 -0.119 0.000 2.004 392 L CB -0.675 41.316 42.059 -0.114 0.000 1.398 392 L HN 0.388 nan 8.230 nan 0.000 0.417 393 R N 0.287 120.764 120.500 -0.039 0.000 3.034 393 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 393 R C -0.731 175.520 176.300 -0.081 0.000 0.861 393 R CA 0.580 56.656 56.100 -0.040 0.000 0.588 393 R CB -2.077 28.206 30.300 -0.029 0.000 1.035 393 R HN 0.205 nan 8.270 nan 0.000 0.488 394 L N -0.618 120.539 121.223 -0.110 0.000 2.455 394 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 394 L C -0.098 176.662 176.870 -0.184 0.000 0.968 394 L CA -0.371 54.337 54.840 -0.220 0.000 0.827 394 L CB 2.384 44.327 42.059 -0.193 0.000 1.317 394 L HN 0.419 nan 8.230 nan 0.000 0.407 395 S N 1.465 117.011 115.700 -0.256 0.000 2.651 395 S HA 1.054 5.524 4.470 -0.000 0.000 0.279 395 S C -0.821 173.648 174.600 -0.219 0.000 1.148 395 S CA -0.217 57.888 58.200 -0.157 0.000 0.837 395 S CB 2.161 65.306 63.200 -0.092 0.000 1.138 395 S HN 0.979 nan 8.310 nan 0.000 0.478 396 A N 0.124 122.873 122.820 -0.118 0.000 2.552 396 A HA 0.936 5.256 4.320 -0.000 0.000 0.288 396 A C -1.228 176.284 177.584 -0.121 0.000 1.193 396 A CA -0.693 51.243 52.037 -0.169 0.000 0.713 396 A CB 1.575 20.567 19.000 -0.014 0.000 1.305 396 A HN 1.014 nan 8.150 nan 0.000 0.424 397 E N -0.714 119.353 120.200 -0.221 0.000 2.352 397 E HA 0.568 4.918 4.350 -0.000 0.000 0.280 397 E C -1.604 174.876 176.600 -0.201 0.000 0.930 397 E CA -0.710 55.626 56.400 -0.107 0.000 0.765 397 E CB 1.794 31.501 29.700 0.011 0.000 1.219 397 E HN 0.600 nan 8.360 nan 0.000 0.434 398 R N 2.530 122.939 120.500 -0.151 0.000 2.500 398 R HA 0.600 4.940 4.340 -0.000 0.000 0.299 398 R C -1.361 174.718 176.300 -0.368 0.000 1.038 398 R CA -0.262 55.670 56.100 -0.281 0.000 0.903 398 R CB 1.261 31.552 30.300 -0.016 0.000 1.177 398 R HN 0.496 nan 8.270 nan 0.000 0.455 399 G N 2.375 110.650 108.800 -0.876 0.000 2.600 399 G HA2 0.637 4.597 3.960 -0.000 0.000 0.303 399 G HA3 0.637 4.597 3.960 -0.000 0.000 0.303 399 G C -1.663 173.129 174.900 -0.181 0.000 1.253 399 G CA -0.752 44.080 45.100 -0.447 0.000 0.974 399 G HN 0.473 nan 8.290 nan 0.000 0.483 400 F N 0.952 120.860 119.950 -0.069 0.000 2.831 400 F HA 0.507 5.034 4.527 -0.000 0.000 0.346 400 F C -1.548 174.194 175.800 -0.097 0.000 1.224 400 F CA -1.134 56.883 58.000 0.027 0.000 1.048 400 F CB 1.252 40.259 39.000 0.013 0.000 1.339 400 F HN 0.277 nan 8.300 nan 0.000 0.514 401 F N 5.484 125.752 119.950 0.529 0.000 2.410 401 F HA 0.397 4.924 4.527 -0.000 0.000 0.349 401 F C -0.290 175.672 175.800 0.271 0.000 1.117 401 F CA -0.512 57.611 58.000 0.206 0.000 1.104 401 F CB 0.644 39.857 39.000 0.356 0.000 1.122 401 F HN 0.280 nan 8.300 nan 0.000 0.483 402 Y N 0.934 121.353 120.300 0.198 0.000 2.260 402 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 402 Y C 0.639 176.653 175.900 0.189 0.000 1.317 402 Y CA -1.629 56.537 58.100 0.110 0.000 1.514 402 Y CB 0.176 38.605 38.460 -0.051 0.000 1.382 402 Y HN 0.374 nan 8.280 nan 0.000 0.581 403 R N 1.826 122.525 120.500 0.333 0.000 3.752 403 R HA -0.203 4.137 4.340 -0.000 0.000 0.227 403 R C -0.233 176.184 176.300 0.196 0.000 0.592 403 R CA 0.704 56.935 56.100 0.219 0.000 0.981 403 R CB -1.732 28.653 30.300 0.141 0.000 0.973 403 R HN 0.704 nan 8.270 nan 0.000 0.330 404 N N -0.685 118.122 118.700 0.179 0.000 2.724 404 N HA -0.231 4.509 4.740 -0.000 0.000 0.293 404 N C 0.063 175.669 175.510 0.161 0.000 1.090 404 N CA 1.082 54.215 53.050 0.139 0.000 0.793 404 N CB -0.743 37.793 38.487 0.081 0.000 0.958 404 N HN 0.762 nan 8.380 nan 0.000 0.575 405 G N -0.347 108.599 108.800 0.243 0.000 2.552 405 G HA2 0.815 4.775 3.960 -0.000 0.000 0.324 405 G HA3 0.815 4.775 3.960 -0.000 0.000 0.324 405 G C -0.567 174.516 174.900 0.304 0.000 1.217 405 G CA -1.100 44.177 45.100 0.296 0.000 0.989 405 G HN 0.418 nan 8.290 nan 0.000 0.490 406 I N -0.048 120.721 120.570 0.331 0.000 2.466 406 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 406 I C -1.357 174.971 176.117 0.352 0.000 1.026 406 I CA -0.775 60.652 61.300 0.211 0.000 1.078 406 I CB 2.442 40.520 38.000 0.131 0.000 1.249 406 I HN 0.419 nan 8.210 nan 0.000 0.429 407 Y N 6.666 126.894 120.300 -0.120 0.000 2.616 407 Y HA 0.163 4.713 4.550 -0.000 0.000 0.350 407 Y C 1.017 176.963 175.900 0.077 0.000 1.119 407 Y CA -0.265 57.812 58.100 -0.038 0.000 1.467 407 Y CB 0.070 38.273 38.460 -0.429 0.000 1.287 407 Y HN 0.628 nan 8.280 nan 0.000 0.504 408 S N 7.434 123.356 115.700 0.369 0.000 2.952 408 S HA -0.088 4.382 4.470 -0.000 0.000 0.351 408 S C -2.458 172.357 174.600 0.358 0.000 1.211 408 S CA -0.879 57.485 58.200 0.274 0.000 1.002 408 S CB 0.079 63.392 63.200 0.187 0.000 0.702 408 S HN 0.521 nan 8.310 nan 0.000 0.495 409 P HA 0.149 nan 4.420 nan 0.000 0.260 409 P C -0.418 177.076 177.300 0.324 0.000 1.185 409 P CA 0.488 63.726 63.100 0.231 0.000 0.763 409 P CB 0.194 31.979 31.700 0.142 0.000 0.776 410 H N 1.389 120.525 119.070 0.110 0.000 2.942 410 H HA 0.656 5.212 4.556 -0.000 0.000 0.316 410 H C -1.628 173.815 175.328 0.191 0.000 1.323 410 H CA -1.064 55.058 56.048 0.122 0.000 1.144 410 H CB 0.908 30.696 29.762 0.044 0.000 1.866 410 H HN 0.548 nan 8.280 nan 0.000 0.545 411 W N 1.025 122.285 121.300 -0.067 0.000 3.042 411 W HA 0.489 5.149 4.660 -0.000 0.000 0.337 411 W C -1.558 174.901 176.519 -0.100 0.000 1.086 411 W CA -0.868 56.379 57.345 -0.165 0.000 1.236 411 W CB 0.882 30.263 29.460 -0.131 0.000 1.381 411 W HN 0.361 nan 8.180 nan 0.000 0.472 412 N N 2.827 121.525 118.700 -0.004 0.000 2.454 412 N HA -0.006 4.734 4.740 -0.000 0.000 0.260 412 N C 0.875 176.311 175.510 -0.124 0.000 1.218 412 N CA 0.307 53.290 53.050 -0.112 0.000 0.904 412 N CB 2.044 40.476 38.487 -0.091 0.000 1.065 412 N HN 0.548 nan 8.380 nan 0.000 0.462 413 V N 3.014 122.680 119.914 -0.413 0.000 2.331 413 V HA -0.124 3.996 4.120 -0.000 0.000 0.242 413 V C 1.429 177.332 176.094 -0.318 0.000 1.034 413 V CA 1.571 63.623 62.300 -0.414 0.000 1.027 413 V CB -0.355 30.901 31.823 -0.946 0.000 0.667 413 V HN 0.808 nan 8.190 nan 0.000 0.457 414 N N 0.015 118.451 118.700 -0.440 0.000 2.235 414 N HA 0.555 5.295 4.740 -0.000 0.000 0.231 414 N C -0.177 175.196 175.510 -0.229 0.000 1.177 414 N CA 0.441 53.331 53.050 -0.267 0.000 0.874 414 N CB 1.006 39.368 38.487 -0.208 0.000 1.097 414 N HN 0.450 nan 8.380 nan 0.000 0.518 415 A N 0.235 122.902 122.820 -0.255 0.000 2.586 415 A HA 0.410 4.730 4.320 -0.000 0.000 0.290 415 A C -1.636 175.789 177.584 -0.264 0.000 1.086 415 A CA -0.740 51.138 52.037 -0.264 0.000 0.665 415 A CB 0.955 19.829 19.000 -0.210 0.000 1.279 415 A HN 0.253 nan 8.150 nan 0.000 0.423 416 H N 0.215 119.201 119.070 -0.140 0.000 2.482 416 H HA 0.649 5.205 4.556 -0.000 0.000 0.344 416 H C -0.423 174.795 175.328 -0.183 0.000 1.151 416 H CA 0.178 56.139 56.048 -0.145 0.000 1.300 416 H CB 1.843 31.530 29.762 -0.126 0.000 1.494 416 H HN 0.515 nan 8.280 nan 0.000 0.542 417 S N 1.989 117.652 115.700 -0.062 0.000 2.774 417 S HA 0.310 4.780 4.470 -0.000 0.000 0.297 417 S C -0.896 173.557 174.600 -0.245 0.000 1.143 417 S CA -0.690 57.414 58.200 -0.160 0.000 1.090 417 S CB 0.011 63.109 63.200 -0.170 0.000 1.019 417 S HN 0.305 nan 8.310 nan 0.000 0.482 418 V N 5.975 125.759 119.914 -0.217 0.000 2.407 418 V HA 0.492 4.612 4.120 -0.000 0.000 0.278 418 V C -0.082 175.800 176.094 -0.352 0.000 1.037 418 V CA -0.419 61.691 62.300 -0.316 0.000 0.900 418 V CB 1.456 33.132 31.823 -0.244 0.000 0.983 418 V HN 0.699 nan 8.190 nan 0.000 0.459 419 V N 5.237 124.808 119.914 -0.571 0.000 2.581 419 V HA 0.448 4.568 4.120 -0.000 0.000 0.303 419 V C -0.966 175.019 176.094 -0.182 0.000 1.041 419 V CA -0.912 61.100 62.300 -0.479 0.000 0.907 419 V CB 1.753 33.009 31.823 -0.946 0.000 0.994 419 V HN 0.755 nan 8.190 nan 0.000 0.442 420 Y N 3.235 123.499 120.300 -0.061 0.000 2.326 420 Y HA 0.586 5.136 4.550 -0.000 0.000 0.331 420 Y C -0.267 175.708 175.900 0.125 0.000 0.962 420 Y CA -0.905 57.230 58.100 0.059 0.000 1.167 420 Y CB 1.721 40.251 38.460 0.116 0.000 1.148 420 Y HN 0.421 nan 8.280 nan 0.000 0.463 421 V N 9.043 128.725 119.914 -0.387 0.000 2.390 421 V HA -0.047 4.073 4.120 -0.000 0.000 0.260 421 V C 1.421 177.216 176.094 -0.500 0.000 1.043 421 V CA 0.684 62.821 62.300 -0.272 0.000 1.047 421 V CB -0.527 31.326 31.823 0.049 0.000 1.066 421 V HN 0.917 nan 8.190 nan 0.000 0.481 422 I N 3.273 123.673 120.570 -0.283 0.000 2.315 422 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 422 I C 1.281 177.364 176.117 -0.057 0.000 1.117 422 I CA 1.144 62.391 61.300 -0.089 0.000 1.404 422 I CB -0.058 37.939 38.000 -0.005 0.000 1.071 422 I HN 0.532 nan 8.210 nan 0.000 0.419 423 R N -0.577 119.878 120.500 -0.075 0.000 2.725 423 R HA 0.440 4.780 4.340 -0.000 0.000 0.254 423 R C -0.980 175.374 176.300 0.089 0.000 1.076 423 R CA 0.127 56.227 56.100 -0.001 0.000 0.940 423 R CB 1.656 31.936 30.300 -0.034 0.000 1.260 423 R HN 0.266 nan 8.270 nan 0.000 0.466 424 G N 2.199 111.089 108.800 0.150 0.000 2.707 424 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 424 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 424 G C -1.197 173.876 174.900 0.289 0.000 1.315 424 G CA -0.730 44.514 45.100 0.239 0.000 0.832 424 G HN 0.572 nan 8.290 nan 0.000 0.573 425 N N -0.030 118.788 118.700 0.197 0.000 2.447 425 N HA 0.768 5.508 4.740 -0.000 0.000 0.271 425 N C 0.118 175.531 175.510 -0.161 0.000 1.226 425 N CA 0.399 53.479 53.050 0.050 0.000 0.980 425 N CB 1.784 40.276 38.487 0.010 0.000 1.206 425 N HN 1.980 nan 8.380 nan 0.000 0.558 426 A N 0.626 123.221 122.820 -0.376 0.000 2.401 426 A HA 0.161 4.481 4.320 -0.000 0.000 0.313 426 A C -0.711 176.568 177.584 -0.509 0.000 1.013 426 A CA -0.708 50.904 52.037 -0.709 0.000 1.034 426 A CB 0.573 18.409 19.000 -1.940 0.000 1.324 426 A HN 0.641 nan 8.150 nan 0.000 0.366 427 R N 1.979 122.268 120.500 -0.352 0.000 2.389 427 R HA 0.568 4.908 4.340 -0.000 0.000 0.295 427 R C -1.018 175.087 176.300 -0.325 0.000 1.075 427 R CA 0.085 56.020 56.100 -0.275 0.000 1.005 427 R CB 0.613 30.806 30.300 -0.179 0.000 0.987 427 R HN 0.533 nan 8.270 nan 0.000 0.452 428 V N 4.674 124.386 119.914 -0.337 0.000 2.656 428 V HA 0.322 4.442 4.120 -0.000 0.000 0.307 428 V C -0.710 175.236 176.094 -0.246 0.000 1.051 428 V CA -0.815 61.278 62.300 -0.345 0.000 0.893 428 V CB 2.037 33.515 31.823 -0.575 0.000 0.999 428 V HN 0.801 nan 8.190 nan 0.000 0.426 429 Q N 2.578 122.273 119.800 -0.175 0.000 2.304 429 Q HA 0.712 5.052 4.340 -0.000 0.000 0.270 429 Q C -1.591 174.357 176.000 -0.086 0.000 1.035 429 Q CA -0.627 55.106 55.803 -0.117 0.000 0.781 429 Q CB 3.030 31.715 28.738 -0.088 0.000 1.261 429 Q HN 0.563 nan 8.270 nan 0.000 0.444 430 V N 2.840 122.722 119.914 -0.053 0.000 2.487 430 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 430 V C -0.274 175.837 176.094 0.027 0.000 1.028 430 V CA -0.784 61.513 62.300 -0.005 0.000 0.860 430 V CB 1.686 33.521 31.823 0.019 0.000 0.991 430 V HN 0.608 nan 8.190 nan 0.000 0.427 431 V N 2.554 122.488 119.914 0.034 0.000 2.715 431 V HA 0.822 4.942 4.120 -0.000 0.000 0.310 431 V C -0.376 175.703 176.094 -0.026 0.000 1.054 431 V CA -0.669 61.635 62.300 0.007 0.000 0.928 431 V CB 1.965 33.761 31.823 -0.044 0.000 1.007 431 V HN 0.922 nan 8.190 nan 0.000 0.437 432 N N 1.896 120.536 118.700 -0.101 0.000 2.643 432 N HA 0.318 5.058 4.740 -0.000 0.000 0.305 432 N C 1.010 176.333 175.510 -0.312 0.000 1.283 432 N CA -0.184 52.646 53.050 -0.367 0.000 0.946 432 N CB 0.110 38.488 38.487 -0.182 0.000 1.149 432 N HN 0.793 nan 8.380 nan 0.000 0.600 433 E N -0.582 119.419 120.200 -0.331 0.000 2.187 433 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 433 E C -0.259 176.244 176.600 -0.161 0.000 1.004 433 E CA 1.390 57.649 56.400 -0.236 0.000 0.813 433 E CB -0.638 28.950 29.700 -0.188 0.000 0.736 433 E HN 0.539 nan 8.360 nan 0.000 0.468 434 N N 0.701 119.327 118.700 -0.124 0.000 2.327 434 N HA 0.113 4.853 4.740 -0.000 0.000 0.231 434 N C 0.859 176.325 175.510 -0.074 0.000 1.130 434 N CA 0.685 53.683 53.050 -0.085 0.000 0.845 434 N CB 0.845 39.295 38.487 -0.060 0.000 1.073 434 N HN 0.453 nan 8.380 nan 0.000 0.496 435 G N 0.737 109.483 108.800 -0.091 0.000 2.205 435 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.269 435 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.269 435 G C -0.159 174.710 174.900 -0.052 0.000 0.977 435 G CA 0.385 45.443 45.100 -0.071 0.000 0.652 435 G HN 0.338 nan 8.290 nan 0.000 0.539 436 D N 0.866 121.238 120.400 -0.046 0.000 2.351 436 D HA 0.490 5.130 4.640 -0.000 0.000 0.251 436 D C 0.759 177.048 176.300 -0.019 0.000 1.137 436 D CA 0.656 54.639 54.000 -0.029 0.000 0.879 436 D CB 1.268 42.056 40.800 -0.021 0.000 1.181 436 D HN 0.514 nan 8.370 nan 0.000 0.448 437 A N 3.507 126.315 122.820 -0.018 0.000 2.981 437 A HA 0.031 4.351 4.320 -0.000 0.000 0.280 437 A C 1.625 179.206 177.584 -0.004 0.000 1.797 437 A CA -0.272 51.756 52.037 -0.016 0.000 1.456 437 A CB -0.996 17.986 19.000 -0.029 0.000 1.057 437 A HN 0.775 nan 8.150 nan 0.000 0.602 438 I N 0.903 121.486 120.570 0.021 0.000 2.576 438 I HA -0.158 4.012 4.170 -0.000 0.000 0.263 438 I C 0.091 176.214 176.117 0.010 0.000 1.183 438 I CA 1.271 62.590 61.300 0.031 0.000 1.432 438 I CB 0.080 38.128 38.000 0.080 0.000 1.100 438 I HN 0.514 nan 8.210 nan 0.000 0.452 439 L N 0.625 121.842 121.223 -0.009 0.000 2.639 439 L HA 0.436 4.776 4.340 -0.000 0.000 0.264 439 L C -1.680 175.146 176.870 -0.074 0.000 0.948 439 L CA -0.364 54.453 54.840 -0.038 0.000 0.912 439 L CB 1.428 43.465 42.059 -0.037 0.000 1.294 439 L HN -0.059 nan 8.230 nan 0.000 0.412 440 D N 3.961 124.313 120.400 -0.080 0.000 2.468 440 D HA 0.339 4.979 4.640 -0.000 0.000 0.272 440 D C -0.857 175.380 176.300 -0.105 0.000 1.221 440 D CA 0.095 54.038 54.000 -0.096 0.000 0.860 440 D CB 0.708 41.468 40.800 -0.068 0.000 1.190 440 D HN 0.750 nan 8.370 nan 0.000 0.509 441 Q N 0.014 119.725 119.800 -0.148 0.000 2.882 441 Q HA 0.479 4.819 4.340 -0.000 0.000 0.315 441 Q C -1.001 174.886 176.000 -0.189 0.000 1.004 441 Q CA -0.972 54.748 55.803 -0.139 0.000 0.777 441 Q CB 1.498 30.168 28.738 -0.115 0.000 1.506 441 Q HN 0.057 nan 8.270 nan 0.000 0.489 442 E N 1.665 121.772 120.200 -0.156 0.000 2.063 442 E HA 0.301 4.651 4.350 -0.000 0.000 0.265 442 E C -0.442 176.059 176.600 -0.164 0.000 0.919 442 E CA -0.666 55.629 56.400 -0.175 0.000 0.756 442 E CB 1.437 31.068 29.700 -0.116 0.000 1.120 442 E HN 0.500 nan 8.360 nan 0.000 0.414 443 V N 1.816 121.583 119.914 -0.245 0.000 2.715 443 V HA 0.265 4.385 4.120 -0.000 0.000 0.299 443 V C -0.167 175.919 176.094 -0.013 0.000 1.054 443 V CA -0.297 61.911 62.300 -0.152 0.000 1.077 443 V CB 1.223 32.890 31.823 -0.259 0.000 0.972 443 V HN 0.701 nan 8.190 nan 0.000 0.484 444 Q N 1.854 121.689 119.800 0.058 0.000 2.416 444 Q HA 0.378 4.718 4.340 -0.000 0.000 0.279 444 Q C -0.392 175.671 176.000 0.104 0.000 1.101 444 Q CA -0.871 54.986 55.803 0.088 0.000 0.830 444 Q CB 1.918 30.692 28.738 0.061 0.000 1.402 444 Q HN 0.953 nan 8.270 nan 0.000 0.445 445 Q N 0.189 120.043 119.800 0.091 0.000 2.310 445 Q HA 0.079 4.419 4.340 -0.000 0.000 0.315 445 Q C 0.460 176.479 176.000 0.033 0.000 1.081 445 Q CA 1.578 57.404 55.803 0.038 0.000 0.981 445 Q CB -0.108 28.663 28.738 0.055 0.000 1.184 445 Q HN 0.855 nan 8.270 nan 0.000 0.389 446 G N 2.375 111.135 108.800 -0.067 0.000 2.241 446 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 446 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 446 G C 0.001 175.056 174.900 0.258 0.000 0.998 446 G CA 0.336 45.502 45.100 0.110 0.000 0.621 446 G HN 0.655 nan 8.290 nan 0.000 0.519 447 Q N -0.070 119.825 119.800 0.158 0.000 2.396 447 Q HA 0.673 5.013 4.340 -0.000 0.000 0.221 447 Q C -0.379 175.804 176.000 0.306 0.000 1.025 447 Q CA -0.222 55.766 55.803 0.309 0.000 0.946 447 Q CB 1.478 30.352 28.738 0.227 0.000 1.224 447 Q HN 0.298 nan 8.270 nan 0.000 0.539 448 L N 2.782 124.200 121.223 0.326 0.000 2.438 448 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 448 L C -1.661 175.287 176.870 0.132 0.000 0.972 448 L CA -0.451 54.427 54.840 0.064 0.000 0.831 448 L CB 1.181 42.912 42.059 -0.545 0.000 1.273 448 L HN 0.737 nan 8.230 nan 0.000 0.405 449 F N 4.255 124.156 119.950 -0.081 0.000 2.650 449 F HA 0.808 5.335 4.527 -0.000 0.000 0.320 449 F C -1.373 174.338 175.800 -0.148 0.000 1.091 449 F CA -1.107 56.844 58.000 -0.083 0.000 0.962 449 F CB 1.572 40.549 39.000 -0.039 0.000 1.363 449 F HN 0.254 nan 8.300 nan 0.000 0.482 450 I N 2.263 122.820 120.570 -0.021 0.000 2.498 450 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 450 I C -1.228 174.833 176.117 -0.093 0.000 1.032 450 I CA -1.228 59.948 61.300 -0.208 0.000 1.073 450 I CB 2.323 40.176 38.000 -0.245 0.000 1.251 450 I HN 0.499 nan 8.210 nan 0.000 0.426 451 V N 7.659 127.468 119.914 -0.174 0.000 2.259 451 V HA 0.273 4.393 4.120 -0.000 0.000 0.267 451 V C -2.231 173.786 176.094 -0.128 0.000 1.051 451 V CA -1.774 60.454 62.300 -0.120 0.000 0.830 451 V CB 0.590 32.339 31.823 -0.125 0.000 1.080 451 V HN 0.540 nan 8.190 nan 0.000 0.467 452 P HA -0.010 nan 4.420 nan 0.000 0.267 452 P C -0.010 177.294 177.300 0.008 0.000 1.201 452 P CA 0.031 63.037 63.100 -0.157 0.000 0.775 452 P CB 0.456 31.697 31.700 -0.766 0.000 0.854 453 Q N 2.810 122.658 119.800 0.081 0.000 2.349 453 Q HA -0.122 4.218 4.340 -0.000 0.000 0.287 453 Q C 0.394 176.487 176.000 0.155 0.000 1.044 453 Q CA 0.763 56.528 55.803 -0.064 0.000 0.918 453 Q CB -0.482 28.044 28.738 -0.354 0.000 1.242 453 Q HN 0.480 nan 8.270 nan 0.000 0.405 454 N N 0.621 119.405 118.700 0.140 0.000 2.955 454 N HA -0.236 4.504 4.740 -0.000 0.000 0.230 454 N C -0.757 174.800 175.510 0.078 0.000 0.891 454 N CA 0.659 53.803 53.050 0.156 0.000 1.002 454 N CB -0.884 37.605 38.487 0.004 0.000 1.063 454 N HN 0.685 nan 8.380 nan 0.000 0.601 455 H N 0.306 119.362 119.070 -0.022 0.000 2.690 455 H HA 0.275 4.831 4.556 -0.000 0.000 0.365 455 H C 1.069 176.370 175.328 -0.045 0.000 1.142 455 H CA 0.442 56.458 56.048 -0.054 0.000 1.417 455 H CB 0.709 30.447 29.762 -0.040 0.000 1.446 455 H HN 0.188 nan 8.280 nan 0.000 0.599 456 G N 0.736 109.547 108.800 0.017 0.000 2.415 456 G HA2 0.367 4.327 3.960 -0.000 0.000 0.269 456 G HA3 0.367 4.327 3.960 -0.000 0.000 0.269 456 G C -0.818 174.045 174.900 -0.062 0.000 1.209 456 G CA -0.328 44.765 45.100 -0.011 0.000 0.835 456 G HN 0.425 nan 8.290 nan 0.000 0.534 457 V N 3.909 123.719 119.914 -0.173 0.000 2.612 457 V HA 0.625 4.745 4.120 -0.000 0.000 0.301 457 V C -1.032 174.961 176.094 -0.169 0.000 1.059 457 V CA -0.845 61.329 62.300 -0.211 0.000 0.886 457 V CB 1.447 33.084 31.823 -0.310 0.000 1.007 457 V HN 0.749 nan 8.190 nan 0.000 0.426 458 I N 5.613 126.126 120.570 -0.096 0.000 2.607 458 I HA 0.694 4.864 4.170 -0.000 0.000 0.305 458 I C -0.414 175.637 176.117 -0.111 0.000 0.995 458 I CA 0.231 61.503 61.300 -0.048 0.000 1.148 458 I CB 2.006 39.985 38.000 -0.035 0.000 1.323 458 I HN 0.794 nan 8.210 nan 0.000 0.461 459 Q N 5.574 125.311 119.800 -0.105 0.000 2.295 459 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 459 Q C -1.681 174.190 176.000 -0.215 0.000 1.010 459 Q CA -0.699 54.972 55.803 -0.220 0.000 0.856 459 Q CB 2.221 30.789 28.738 -0.283 0.000 1.349 459 Q HN 0.607 nan 8.270 nan 0.000 0.412 460 Q N 1.593 121.246 119.800 -0.245 0.000 2.310 460 Q HA 0.733 5.073 4.340 -0.000 0.000 0.270 460 Q C -1.299 174.582 176.000 -0.198 0.000 1.025 460 Q CA -0.424 55.285 55.803 -0.157 0.000 0.772 460 Q CB 1.814 30.503 28.738 -0.082 0.000 1.253 460 Q HN 0.779 nan 8.270 nan 0.000 0.450 461 A N 2.760 125.535 122.820 -0.075 0.000 2.448 461 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 461 A C 0.640 178.241 177.584 0.028 0.000 1.080 461 A CA 0.479 52.523 52.037 0.012 0.000 0.779 461 A CB 0.200 19.376 19.000 0.293 0.000 1.026 461 A HN 0.933 nan 8.150 nan 0.000 0.499 462 G N -0.187 108.644 108.800 0.052 0.000 2.580 462 G HA2 0.182 4.142 3.960 -0.000 0.000 0.225 462 G HA3 0.182 4.142 3.960 -0.000 0.000 0.225 462 G C 0.663 175.628 174.900 0.108 0.000 1.521 462 G CA 0.145 45.279 45.100 0.057 0.000 1.068 462 G HN 0.733 nan 8.290 nan 0.000 0.564 463 N N -0.918 117.844 118.700 0.104 0.000 2.409 463 N HA -0.036 4.704 4.740 -0.000 0.000 0.174 463 N C 2.046 177.646 175.510 0.150 0.000 1.037 463 N CA 0.481 53.598 53.050 0.111 0.000 0.898 463 N CB 0.200 38.735 38.487 0.081 0.000 1.010 463 N HN 0.221 nan 8.380 nan 0.000 0.445 464 Q N 0.456 120.357 119.800 0.168 0.000 2.451 464 Q HA 0.258 4.598 4.340 -0.000 0.000 0.206 464 Q C 0.914 177.106 176.000 0.320 0.000 0.947 464 Q CA 0.125 56.052 55.803 0.207 0.000 0.937 464 Q CB 0.039 28.879 28.738 0.170 0.000 1.025 464 Q HN 0.392 nan 8.270 nan 0.000 0.511 465 G N 0.150 109.159 108.800 0.348 0.000 2.627 465 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 465 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 465 G C -1.297 173.944 174.900 0.568 0.000 1.331 465 G CA -0.452 44.959 45.100 0.518 0.000 0.891 465 G HN 0.155 nan 8.290 nan 0.000 0.539 466 F N 1.336 121.561 119.950 0.459 0.000 2.607 466 F HA 0.676 5.203 4.527 -0.000 0.000 0.322 466 F C -0.620 175.401 175.800 0.369 0.000 1.176 466 F CA -0.953 57.254 58.000 0.346 0.000 0.977 466 F CB 1.935 41.126 39.000 0.318 0.000 1.242 466 F HN 0.589 nan 8.300 nan 0.000 0.465 467 E N 5.664 125.759 120.200 -0.175 0.000 2.210 467 E HA 0.495 4.845 4.350 -0.000 0.000 0.266 467 E C -1.710 174.648 176.600 -0.403 0.000 0.883 467 E CA -0.734 55.447 56.400 -0.365 0.000 0.761 467 E CB 2.532 31.919 29.700 -0.521 0.000 1.156 467 E HN 0.545 nan 8.360 nan 0.000 0.412 468 Y N 0.827 120.866 120.300 -0.436 0.000 2.670 468 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 468 Y C -1.927 173.860 175.900 -0.188 0.000 1.185 468 Y CA -1.629 56.244 58.100 -0.378 0.000 1.053 468 Y CB 1.037 39.161 38.460 -0.560 0.000 1.298 468 Y HN 0.412 nan 8.280 nan 0.000 0.459 469 F N 1.930 121.753 119.950 -0.212 0.000 2.529 469 F HA 0.912 5.439 4.527 -0.000 0.000 0.320 469 F C -1.181 174.624 175.800 0.008 0.000 1.118 469 F CA -1.155 56.656 58.000 -0.315 0.000 0.915 469 F CB 1.571 40.241 39.000 -0.551 0.000 1.161 469 F HN 0.944 nan 8.300 nan 0.000 0.445 470 A N 5.938 128.242 122.820 -0.860 0.000 2.342 470 A HA 0.677 4.997 4.320 -0.000 0.000 0.323 470 A C -2.044 175.027 177.584 -0.855 0.000 1.125 470 A CA -0.511 51.172 52.037 -0.590 0.000 0.785 470 A CB 0.609 19.509 19.000 -0.167 0.000 1.221 470 A HN 0.769 nan 8.150 nan 0.000 0.463 471 F N 2.359 121.939 119.950 -0.617 0.000 2.375 471 F HA 0.535 5.062 4.527 0.000 0.000 0.361 471 F C -0.088 175.554 175.800 -0.265 0.000 1.117 471 F CA -0.321 57.453 58.000 -0.377 0.000 1.037 471 F CB 1.195 40.099 39.000 -0.160 0.000 1.192 471 F HN 0.481 nan 8.300 nan 0.000 0.452 472 K N 3.529 123.561 120.400 -0.613 0.000 2.274 472 K HA 0.221 4.541 4.320 -0.000 0.000 0.262 472 K C 0.456 176.688 176.600 -0.614 0.000 0.961 472 K CA -0.493 55.514 56.287 -0.466 0.000 0.833 472 K CB 1.511 33.839 32.500 -0.287 0.000 1.102 472 K HN 0.659 nan 8.250 nan 0.000 0.436 473 T N 0.060 114.338 114.554 -0.459 0.000 3.829 473 T HA 0.055 4.405 4.350 -0.000 0.000 0.251 473 T C 0.178 174.689 174.700 -0.314 0.000 1.030 473 T CA 0.174 61.980 62.100 -0.490 0.000 0.954 473 T CB -0.267 68.460 68.868 -0.233 0.000 1.120 473 T HN 0.386 nan 8.240 nan 0.000 0.633 474 E N -0.320 119.716 120.200 -0.274 0.000 2.429 474 E HA 0.285 4.635 4.350 -0.000 0.000 0.280 474 E C 0.122 176.651 176.600 -0.119 0.000 1.068 474 E CA -0.686 55.627 56.400 -0.144 0.000 0.837 474 E CB 1.908 31.543 29.700 -0.107 0.000 1.357 474 E HN 0.374 nan 8.360 nan 0.000 0.455 475 E N 0.530 120.698 120.200 -0.055 0.000 3.744 475 E HA -0.014 4.336 4.350 -0.000 0.000 0.519 475 E C 0.017 176.613 176.600 -0.007 0.000 0.605 475 E CA 0.199 56.579 56.400 -0.034 0.000 3.302 475 E CB -0.024 29.671 29.700 -0.009 0.000 1.647 475 E HN 0.243 nan 8.360 nan 0.000 0.425 476 N N 1.222 119.948 118.700 0.044 0.000 2.543 476 N HA 0.097 4.837 4.740 -0.000 0.000 0.289 476 N C -0.948 174.665 175.510 0.172 0.000 1.223 476 N CA 0.149 53.263 53.050 0.105 0.000 1.080 476 N CB 0.202 38.780 38.487 0.152 0.000 1.450 476 N HN 0.266 nan 8.380 nan 0.000 0.501 477 A N 2.103 124.978 122.820 0.091 0.000 2.440 477 A HA 0.506 4.826 4.320 -0.000 0.000 0.251 477 A C 0.026 177.724 177.584 0.189 0.000 1.089 477 A CA -0.223 51.855 52.037 0.069 0.000 0.779 477 A CB -0.111 18.849 19.000 -0.066 0.000 1.022 477 A HN 0.570 nan 8.150 nan 0.000 0.492 478 F N 0.673 120.590 119.950 -0.056 0.000 2.664 478 F HA 0.824 5.351 4.527 -0.000 0.000 0.317 478 F C -0.625 175.123 175.800 -0.086 0.000 1.108 478 F CA -1.424 56.540 58.000 -0.060 0.000 0.957 478 F CB 1.361 40.324 39.000 -0.062 0.000 1.365 478 F HN 0.656 nan 8.300 nan 0.000 0.475 479 I N -0.066 120.524 120.570 0.032 0.000 2.846 479 I HA 0.598 4.768 4.170 -0.000 0.000 0.307 479 I C -1.780 174.215 176.117 -0.203 0.000 1.053 479 I CA -0.842 60.378 61.300 -0.133 0.000 1.050 479 I CB 2.347 40.394 38.000 0.079 0.000 1.239 479 I HN 0.867 nan 8.210 nan 0.000 0.439 480 N N 2.073 120.420 118.700 -0.589 0.000 2.442 480 N HA 0.299 5.039 4.740 -0.000 0.000 0.274 480 N C -0.945 174.259 175.510 -0.510 0.000 1.002 480 N CA -0.395 52.216 53.050 -0.732 0.000 0.910 480 N CB 1.570 39.127 38.487 -1.549 0.000 1.244 480 N HN 0.846 nan 8.380 nan 0.000 0.492 481 T N 2.469 116.952 114.554 -0.118 0.000 2.909 481 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 481 T C 0.253 175.073 174.700 0.199 0.000 1.005 481 T CA -0.514 61.646 62.100 0.101 0.000 1.084 481 T CB 0.505 69.429 68.868 0.093 0.000 0.975 481 T HN 0.422 nan 8.240 nan 0.000 0.509 482 L N 2.420 123.816 121.223 0.289 0.000 3.209 482 L HA 0.829 5.169 4.340 -0.000 0.000 0.279 482 L C 0.125 177.139 176.870 0.240 0.000 1.301 482 L CA -0.758 54.305 54.840 0.372 0.000 1.004 482 L CB -0.203 42.137 42.059 0.469 0.000 1.402 482 L HN 0.676 nan 8.230 nan 0.000 0.577 483 A N -0.817 122.101 122.820 0.162 0.000 2.517 483 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 483 A C -0.001 177.624 177.584 0.069 0.000 1.225 483 A CA 0.200 52.296 52.037 0.098 0.000 0.883 483 A CB -0.136 18.924 19.000 0.100 0.000 1.459 483 A HN 0.924 nan 8.150 nan 0.000 0.437 484 G N 0.308 109.127 108.800 0.031 0.000 2.351 484 G HA2 0.323 4.283 3.960 -0.000 0.000 0.279 484 G HA3 0.323 4.283 3.960 -0.000 0.000 0.279 484 G C 0.212 175.100 174.900 -0.020 0.000 1.297 484 G CA -0.110 44.997 45.100 0.012 0.000 0.886 484 G HN 0.607 nan 8.290 nan 0.000 0.493 485 R N -0.750 119.740 120.500 -0.016 0.000 2.280 485 R HA 0.108 4.448 4.340 -0.000 0.000 0.207 485 R C 0.878 177.162 176.300 -0.026 0.000 1.043 485 R CA 1.682 57.767 56.100 -0.024 0.000 1.006 485 R CB -0.108 30.185 30.300 -0.011 0.000 0.885 485 R HN 0.413 nan 8.270 nan 0.000 0.467 486 T N -0.656 113.889 114.554 -0.014 0.000 3.393 486 T HA 0.079 4.429 4.350 -0.000 0.000 0.298 486 T C -0.085 174.626 174.700 0.018 0.000 1.004 486 T CA -0.291 61.805 62.100 -0.006 0.000 0.956 486 T CB 0.752 69.617 68.868 -0.005 0.000 1.182 486 T HN 0.139 nan 8.240 nan 0.000 0.497 487 S N 0.965 116.677 115.700 0.020 0.000 2.593 487 S HA 0.367 4.837 4.470 -0.000 0.000 0.269 487 S C 1.213 175.881 174.600 0.114 0.000 1.334 487 S CA -0.774 57.476 58.200 0.084 0.000 1.015 487 S CB 0.459 63.701 63.200 0.070 0.000 0.912 487 S HN 0.301 nan 8.310 nan 0.000 0.541 488 F N 2.669 122.670 119.950 0.085 0.000 2.095 488 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 488 F C 1.596 177.455 175.800 0.098 0.000 1.104 488 F CA 1.574 59.656 58.000 0.137 0.000 1.232 488 F CB -0.716 38.461 39.000 0.294 0.000 0.987 488 F HN 0.583 nan 8.300 nan 0.000 0.475 489 L N 0.406 121.373 121.223 -0.426 0.000 2.013 489 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 489 L C 2.733 179.395 176.870 -0.347 0.000 1.073 489 L CA 1.983 56.503 54.840 -0.533 0.000 0.753 489 L CB -0.841 41.102 42.059 -0.193 0.000 0.890 489 L HN 0.146 nan 8.230 nan 0.000 0.432 490 R N 0.087 120.440 120.500 -0.245 0.000 2.341 490 R HA -0.113 4.227 4.340 -0.000 0.000 0.213 490 R C 1.922 178.113 176.300 -0.181 0.000 1.082 490 R CA 0.905 56.845 56.100 -0.266 0.000 1.017 490 R CB -0.035 30.104 30.300 -0.268 0.000 0.860 490 R HN 0.391 nan 8.270 nan 0.000 0.473 491 A N -0.037 122.682 122.820 -0.169 0.000 2.095 491 A HA 0.210 4.530 4.320 -0.000 0.000 0.212 491 A C 0.618 178.142 177.584 -0.100 0.000 1.162 491 A CA -0.070 51.912 52.037 -0.091 0.000 0.753 491 A CB 0.254 19.244 19.000 -0.016 0.000 0.840 491 A HN 0.161 nan 8.150 nan 0.000 0.468 492 L N 1.942 123.049 121.223 -0.193 0.000 2.350 492 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 492 L C -2.106 174.718 176.870 -0.076 0.000 1.099 492 L CA -2.071 52.684 54.840 -0.141 0.000 0.808 492 L CB 0.755 42.678 42.059 -0.227 0.000 1.149 492 L HN 0.108 nan 8.230 nan 0.000 0.442 493 P HA 0.009 nan 4.420 nan 0.000 0.270 493 P C -0.258 177.043 177.300 0.002 0.000 1.223 493 P CA -0.328 62.769 63.100 -0.004 0.000 0.785 493 P CB 1.033 32.734 31.700 0.003 0.000 0.923 494 D N 1.401 121.817 120.400 0.027 0.000 2.182 494 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 494 D C 1.762 178.079 176.300 0.028 0.000 0.999 494 D CA 1.647 55.671 54.000 0.039 0.000 0.850 494 D CB -0.561 40.270 40.800 0.052 0.000 0.994 494 D HN 0.547 nan 8.370 nan 0.000 0.450 495 E N 0.165 120.377 120.200 0.021 0.000 2.187 495 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 495 E C 2.109 178.710 176.600 0.001 0.000 1.004 495 E CA 0.591 56.999 56.400 0.013 0.000 0.813 495 E CB -0.133 29.572 29.700 0.008 0.000 0.736 495 E HN 0.077 nan 8.360 nan 0.000 0.468 496 V N 0.906 120.816 119.914 -0.007 0.000 2.515 496 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 496 V C 2.017 178.084 176.094 -0.045 0.000 1.058 496 V CA 1.137 63.420 62.300 -0.029 0.000 1.064 496 V CB -0.132 31.674 31.823 -0.027 0.000 0.675 496 V HN 0.233 nan 8.190 nan 0.000 0.461 497 L N -0.171 121.052 121.223 -0.001 0.000 2.005 497 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 497 L C 2.755 179.691 176.870 0.111 0.000 1.072 497 L CA 1.735 56.622 54.840 0.077 0.000 0.744 497 L CB -0.772 41.351 42.059 0.107 0.000 0.895 497 L HN 0.430 nan 8.230 nan 0.000 0.433 498 A N 0.157 123.024 122.820 0.079 0.000 1.834 498 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 498 A C 1.978 179.576 177.584 0.024 0.000 1.203 498 A CA 2.106 54.188 52.037 0.075 0.000 0.621 498 A CB -0.979 18.050 19.000 0.048 0.000 0.841 498 A HN 0.492 nan 8.150 nan 0.000 0.446 499 N N 0.097 118.789 118.700 -0.013 0.000 2.322 499 N HA -0.189 4.551 4.740 -0.000 0.000 0.189 499 N C 1.658 177.111 175.510 -0.095 0.000 1.012 499 N CA 1.449 54.476 53.050 -0.039 0.000 0.880 499 N CB -0.272 38.192 38.487 -0.038 0.000 0.967 499 N HN 0.556 nan 8.380 nan 0.000 0.439 500 A N -0.790 121.912 122.820 -0.197 0.000 2.044 500 A HA 0.045 4.365 4.320 -0.000 0.000 0.213 500 A C 1.106 178.401 177.584 -0.482 0.000 1.169 500 A CA 0.455 52.249 52.037 -0.404 0.000 0.724 500 A CB -0.108 18.508 19.000 -0.640 0.000 0.840 500 A HN 0.334 nan 8.150 nan 0.000 0.463 501 Y N -0.765 119.546 120.300 0.018 0.000 2.481 501 Y HA 0.250 4.800 4.550 0.000 0.000 0.247 501 Y C -0.001 175.906 175.900 0.012 0.000 1.151 501 Y CA -0.220 57.890 58.100 0.018 0.000 1.238 501 Y CB 0.233 38.706 38.460 0.021 0.000 1.179 501 Y HN 0.338 nan 8.280 nan 0.000 0.524 502 Q N 1.420 121.281 119.800 0.101 0.000 2.453 502 Q HA -0.192 4.148 4.340 -0.000 0.000 0.350 502 Q C -0.598 175.452 176.000 0.084 0.000 1.447 502 Q CA 0.852 56.695 55.803 0.068 0.000 0.968 502 Q CB -1.996 26.772 28.738 0.050 0.000 1.175 502 Q HN 0.727 nan 8.270 nan 0.000 0.354 503 I N -3.971 116.653 120.570 0.090 0.000 3.191 503 I HA 0.661 4.831 4.170 -0.000 0.000 0.313 503 I C 0.026 176.178 176.117 0.058 0.000 1.193 503 I CA -1.348 59.998 61.300 0.077 0.000 0.968 503 I CB 2.053 40.110 38.000 0.095 0.000 1.262 503 I HN 0.001 nan 8.210 nan 0.000 0.456 504 S N 1.394 117.121 115.700 0.045 0.000 2.558 504 S HA 0.158 4.628 4.470 -0.000 0.000 0.287 504 S C 1.497 176.122 174.600 0.041 0.000 1.321 504 S CA 0.262 58.484 58.200 0.036 0.000 1.048 504 S CB 1.003 64.220 63.200 0.029 0.000 0.844 504 S HN 0.851 nan 8.310 nan 0.000 0.512 505 R N 1.647 122.167 120.500 0.034 0.000 2.152 505 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 505 R C 1.937 178.261 176.300 0.040 0.000 1.117 505 R CA 2.026 58.148 56.100 0.036 0.000 0.981 505 R CB -1.360 28.955 30.300 0.026 0.000 0.870 505 R HN 0.900 nan 8.270 nan 0.000 0.451 506 E N 0.174 120.394 120.200 0.033 0.000 2.016 506 E HA -0.217 4.133 4.350 -0.000 0.000 0.190 506 E C 2.275 178.901 176.600 0.042 0.000 0.985 506 E CA 1.117 57.537 56.400 0.033 0.000 0.802 506 E CB -0.139 29.574 29.700 0.022 0.000 0.762 506 E HN 0.701 nan 8.360 nan 0.000 0.448 507 Q N 0.183 120.004 119.800 0.037 0.000 2.156 507 Q HA -0.290 4.050 4.340 -0.000 0.000 0.211 507 Q C 2.253 178.278 176.000 0.041 0.000 0.995 507 Q CA 1.813 57.636 55.803 0.033 0.000 0.877 507 Q CB -0.368 28.387 28.738 0.029 0.000 0.920 507 Q HN 0.455 nan 8.270 nan 0.000 0.416 508 A N 1.265 124.119 122.820 0.057 0.000 1.873 508 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 508 A C 1.993 179.623 177.584 0.077 0.000 1.193 508 A CA 1.911 53.988 52.037 0.066 0.000 0.629 508 A CB -0.580 18.468 19.000 0.080 0.000 0.826 508 A HN 0.302 nan 8.150 nan 0.000 0.447 509 R N -0.716 119.852 120.500 0.114 0.000 2.103 509 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 509 R C 2.516 178.935 176.300 0.199 0.000 1.142 509 R CA 1.823 58.051 56.100 0.214 0.000 0.960 509 R CB -0.455 29.930 30.300 0.142 0.000 0.858 509 R HN 0.707 nan 8.270 nan 0.000 0.439 510 Q N 0.544 120.406 119.800 0.103 0.000 2.061 510 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 510 Q C 2.245 178.269 176.000 0.041 0.000 0.984 510 Q CA 1.511 57.356 55.803 0.070 0.000 0.846 510 Q CB -0.178 28.582 28.738 0.037 0.000 0.902 510 Q HN 0.358 nan 8.270 nan 0.000 0.421 511 L N 0.378 121.606 121.223 0.008 0.000 2.042 511 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 511 L C 2.361 179.188 176.870 -0.072 0.000 1.076 511 L CA 1.365 56.182 54.840 -0.039 0.000 0.749 511 L CB -0.315 41.704 42.059 -0.067 0.000 0.893 511 L HN 0.181 nan 8.230 nan 0.000 0.432 512 K N -0.500 119.837 120.400 -0.105 0.000 1.975 512 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 512 K C 1.136 177.492 176.600 -0.406 0.000 1.041 512 K CA 1.453 57.531 56.287 -0.348 0.000 0.942 512 K CB -0.152 31.981 32.500 -0.611 0.000 0.729 512 K HN 0.207 nan 8.250 nan 0.000 0.439 513 Y N 0.367 120.663 120.300 -0.007 0.000 2.746 513 Y HA 0.204 4.754 4.550 -0.000 0.000 0.312 513 Y C -0.062 175.836 175.900 -0.004 0.000 1.117 513 Y CA -0.516 57.581 58.100 -0.005 0.000 1.324 513 Y CB -0.075 38.381 38.460 -0.006 0.000 1.173 513 Y HN -0.046 nan 8.280 nan 0.000 0.529 514 N N 1.776 120.531 118.700 0.091 0.000 3.170 514 N HA 0.251 4.991 4.740 -0.000 0.000 0.305 514 N C -0.317 175.215 175.510 0.036 0.000 1.499 514 N CA -0.148 52.939 53.050 0.062 0.000 1.110 514 N CB 0.144 38.657 38.487 0.043 0.000 1.390 514 N HN 0.132 nan 8.380 nan 0.000 0.508 515 R N -0.505 120.019 120.500 0.039 0.000 2.764 515 R HA 0.216 4.556 4.340 -0.000 0.000 0.276 515 R C -0.415 175.896 176.300 0.019 0.000 1.021 515 R CA -0.393 55.720 56.100 0.022 0.000 0.870 515 R CB 0.919 31.226 30.300 0.011 0.000 1.293 515 R HN 0.391 nan 8.270 nan 0.000 0.469 516 Q N 0.255 120.058 119.800 0.006 0.000 3.036 516 Q HA 0.409 4.749 4.340 -0.000 0.000 0.195 516 Q C -0.462 175.531 176.000 -0.013 0.000 1.139 516 Q CA -0.462 55.336 55.803 -0.007 0.000 0.544 516 Q CB 0.103 28.828 28.738 -0.023 0.000 4.824 516 Q HN 0.262 nan 8.270 nan 0.000 0.325 517 E N 1.732 121.914 120.200 -0.031 0.000 2.344 517 E HA 0.112 4.462 4.350 -0.000 0.000 0.270 517 E C -0.936 175.648 176.600 -0.027 0.000 1.021 517 E CA 0.202 56.581 56.400 -0.035 0.000 0.887 517 E CB 0.865 30.529 29.700 -0.060 0.000 0.997 517 E HN 0.501 nan 8.360 nan 0.000 0.429 518 T N 4.908 119.452 114.554 -0.016 0.000 2.903 518 T HA 0.229 4.579 4.350 -0.000 0.000 0.314 518 T C 0.196 174.884 174.700 -0.019 0.000 1.078 518 T CA 0.349 62.449 62.100 0.000 0.000 1.114 518 T CB -0.217 68.655 68.868 0.006 0.000 0.987 518 T HN 0.565 nan 8.240 nan 0.000 0.548 519 I N 1.439 122.009 120.570 0.001 0.000 8.455 519 I HA -0.140 4.030 4.170 -0.000 0.000 0.126 519 I C 0.296 176.359 176.117 -0.089 0.000 1.855 519 I CA 0.389 61.654 61.300 -0.058 0.000 2.041 519 I CB -1.294 36.638 38.000 -0.113 0.000 3.831 519 I HN 1.226 nan 8.210 nan 0.000 0.170 520 A N 4.871 127.681 122.820 -0.017 0.000 2.089 520 A HA -0.092 4.228 4.320 -0.000 0.000 0.260 520 A C -0.398 177.175 177.584 -0.017 0.000 1.378 520 A CA 0.871 52.874 52.037 -0.057 0.000 0.714 520 A CB -1.416 17.335 19.000 -0.414 0.000 1.180 520 A HN 0.813 nan 8.150 nan 0.000 0.304 521 L N 1.670 122.957 121.223 0.106 0.000 2.334 521 L HA 0.801 5.141 4.340 -0.000 0.000 0.272 521 L C 0.944 177.856 176.870 0.070 0.000 1.020 521 L CA -0.245 54.631 54.840 0.059 0.000 0.812 521 L CB 2.101 44.208 42.059 0.079 0.000 1.264 521 L HN 0.890 nan 8.230 nan 0.000 0.439 522 S N -0.270 115.449 115.700 0.032 0.000 2.617 522 S HA 0.526 4.996 4.470 -0.000 0.000 0.283 522 S C 0.160 174.790 174.600 0.049 0.000 1.189 522 S CA -0.736 57.489 58.200 0.041 0.000 1.036 522 S CB 1.551 64.756 63.200 0.009 0.000 1.014 522 S HN 0.744 nan 8.310 nan 0.000 0.522 523 S N 0.000 115.735 115.700 0.059 0.000 2.498 523 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 523 S CA 0.000 58.230 58.200 0.049 0.000 1.107 523 S CB 0.000 63.232 63.200 0.054 0.000 0.593 523 S HN 0.000 nan 8.310 nan 0.000 0.517