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 1u5j_1_A DATA FIRST_RESID 4 DATA SEQUENCE REIEVSEPRE VGITELVLRD AHQSLMATRM AMEDMVGACA DIDAAGYWSV DATA SEQUENCE ECWGGATYDS CIRFLNEDPW ERLRTFRKLM PNSRLQMLLR GQNLLGYRHY DATA SEQUENCE NDEVVDRFVD KSAENGMDVF RVFDAMNDPR NMAHAMAAVK KAGKHAQGTI DATA SEQUENCE CYTISPVHTV EGYVKLAGQL LDMGADSIAL XDIAALLKPQ PAYDIIKAIK DATA SEQUENCE DTYGQKTQIN LHCHSTTGVT EVSLMKAIEA GVDVVDTAIS SMSLGPGHNP DATA SEQUENCE TESVAEMLEG TGYTTNLDYD RLHKIRDHFK AIRPKYKKFE SKTLVDTSIF DATA SEQUENCE KSQIPGGMLS NMESQLRAQG AEDKMDEVMA EVPRVRKAAG FPPLVTPSSQ DATA SEQUENCE IVGTQAVFNV MMGEYKRMTG EFADIMLGYY GASPADRDPK VVKLAEEQSG DATA SEQUENCE KKPITQRPAD LLPPEWEKQS KEAATLKGFN GTDEDVLTYA LFPQVAPVFF DATA SEQUENCE EHRAEGPHSV ALTDAQLKAE A 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.292 176.300 -0.013 0.000 0.893 4 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 4 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 5 E N 1.893 122.086 120.200 -0.011 0.000 2.222 5 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 5 E C -0.739 175.853 176.600 -0.013 0.000 0.884 5 E CA -0.647 55.748 56.400 -0.008 0.000 0.764 5 E CB 2.701 32.402 29.700 0.001 0.000 1.169 5 E HN 0.362 nan 8.360 nan 0.000 0.413 6 I N 1.925 122.483 120.570 -0.019 0.000 2.439 6 I HA 0.130 4.300 4.170 -0.000 0.000 0.285 6 I C 0.204 176.327 176.117 0.011 0.000 1.021 6 I CA -0.566 60.713 61.300 -0.035 0.000 1.091 6 I CB 1.777 39.712 38.000 -0.108 0.000 1.242 6 I HN 0.385 nan 8.210 nan 0.000 0.439 7 E N 6.666 126.904 120.200 0.064 0.000 2.324 7 E HA 0.314 4.663 4.350 -0.000 0.000 0.271 7 E C -0.932 175.765 176.600 0.161 0.000 1.028 7 E CA -0.341 56.120 56.400 0.102 0.000 0.890 7 E CB 1.026 30.793 29.700 0.113 0.000 1.004 7 E HN 0.462 nan 8.360 nan 0.000 0.431 8 V N 1.425 121.424 119.914 0.141 0.000 3.046 8 V HA 0.568 4.688 4.120 -0.000 0.000 0.316 8 V C 0.097 176.309 176.094 0.196 0.000 1.104 8 V CA -0.780 61.643 62.300 0.205 0.000 1.006 8 V CB 1.431 33.377 31.823 0.204 0.000 1.058 8 V HN 0.725 nan 8.190 nan 0.000 0.440 9 S N 1.354 117.209 115.700 0.259 0.000 2.600 9 S HA 0.321 4.791 4.470 -0.000 0.000 0.265 9 S C 0.112 174.848 174.600 0.226 0.000 1.325 9 S CA -0.329 58.005 58.200 0.224 0.000 1.002 9 S CB 0.451 63.779 63.200 0.212 0.000 0.921 9 S HN 0.866 nan 8.310 nan 0.000 0.554 10 E N 1.404 121.686 120.200 0.136 0.000 2.392 10 E HA 0.323 4.673 4.350 -0.000 0.000 0.256 10 E C -2.312 174.307 176.600 0.032 0.000 1.145 10 E CA -2.057 54.373 56.400 0.050 0.000 0.929 10 E CB -0.589 29.133 29.700 0.037 0.000 0.998 10 E HN 0.498 nan 8.360 nan 0.000 0.442 11 P HA 0.035 nan 4.420 nan 0.000 0.265 11 P C -0.421 176.893 177.300 0.023 0.000 1.193 11 P CA 0.637 63.651 63.100 -0.144 0.000 0.765 11 P CB 0.435 32.056 31.700 -0.131 0.000 0.823 12 R N 0.389 120.956 120.500 0.112 0.000 2.774 12 R HA 0.402 4.742 4.340 -0.000 0.000 0.279 12 R C -1.313 175.073 176.300 0.144 0.000 1.022 12 R CA -1.026 55.149 56.100 0.125 0.000 0.855 12 R CB 0.912 31.293 30.300 0.135 0.000 1.279 12 R HN 0.207 nan 8.270 nan 0.000 0.485 13 E N 0.902 121.161 120.200 0.098 0.000 2.331 13 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 13 E C -0.581 176.062 176.600 0.072 0.000 1.036 13 E CA -0.722 55.730 56.400 0.087 0.000 0.864 13 E CB 1.944 31.688 29.700 0.072 0.000 1.035 13 E HN 0.239 nan 8.360 nan 0.000 0.408 14 V N 1.875 121.825 119.914 0.059 0.000 2.547 14 V HA 0.428 4.548 4.120 -0.000 0.000 0.299 14 V C 0.576 176.682 176.094 0.019 0.000 1.040 14 V CA -0.764 61.542 62.300 0.011 0.000 0.913 14 V CB 1.789 33.604 31.823 -0.013 0.000 0.992 14 V HN 0.777 nan 8.190 nan 0.000 0.449 15 G N 3.857 112.648 108.800 -0.015 0.000 2.425 15 G HA2 0.642 4.602 3.960 -0.000 0.000 0.302 15 G HA3 0.642 4.602 3.960 -0.000 0.000 0.302 15 G C -0.831 174.111 174.900 0.069 0.000 1.159 15 G CA -0.392 44.739 45.100 0.051 0.000 0.865 15 G HN 0.417 nan 8.290 nan 0.000 0.515 16 I N 0.537 121.213 120.570 0.178 0.000 2.608 16 I HA 0.367 4.537 4.170 -0.000 0.000 0.295 16 I C -0.215 176.091 176.117 0.315 0.000 1.049 16 I CA -0.544 60.871 61.300 0.191 0.000 1.063 16 I CB 2.034 40.145 38.000 0.185 0.000 1.248 16 I HN 0.273 nan 8.210 nan 0.000 0.424 17 T N 4.061 118.725 114.554 0.183 0.000 2.791 17 T HA 0.258 4.608 4.350 -0.000 0.000 0.288 17 T C -0.107 174.511 174.700 -0.137 0.000 0.999 17 T CA -0.472 61.676 62.100 0.081 0.000 0.952 17 T CB 1.357 70.283 68.868 0.096 0.000 0.938 17 T HN 0.412 nan 8.240 nan 0.000 0.444 18 E N 2.617 122.508 120.200 -0.515 0.000 2.338 18 E HA 0.260 4.610 4.350 -0.000 0.000 0.272 18 E C 0.003 176.329 176.600 -0.456 0.000 1.029 18 E CA -0.259 55.727 56.400 -0.690 0.000 0.872 18 E CB 0.515 29.331 29.700 -1.474 0.000 1.015 18 E HN 0.557 nan 8.360 nan 0.000 0.417 19 L N 4.138 125.125 121.223 -0.393 0.000 2.858 19 L HA 0.182 4.522 4.340 -0.000 0.000 0.251 19 L C 1.746 178.410 176.870 -0.343 0.000 1.149 19 L CA -0.097 54.517 54.840 -0.377 0.000 0.955 19 L CB 0.330 42.062 42.059 -0.545 0.000 1.289 19 L HN 0.480 nan 8.230 nan 0.000 0.542 20 V N 0.863 120.565 119.914 -0.353 0.000 2.469 20 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 20 V C 1.965 177.893 176.094 -0.277 0.000 1.064 20 V CA 1.895 63.959 62.300 -0.394 0.000 1.066 20 V CB -0.081 31.378 31.823 -0.608 0.000 0.667 20 V HN 0.468 nan 8.190 nan 0.000 0.461 21 L N -0.449 120.635 121.223 -0.232 0.000 2.610 21 L HA 0.124 4.464 4.340 -0.000 0.000 0.232 21 L C 2.257 179.194 176.870 0.112 0.000 1.149 21 L CA 0.634 55.416 54.840 -0.097 0.000 0.872 21 L CB -0.317 41.532 42.059 -0.351 0.000 0.992 21 L HN 0.352 nan 8.230 nan 0.000 0.447 22 R N -0.778 119.685 120.500 -0.063 0.000 5.460 22 R HA -0.024 4.316 4.340 -0.000 0.000 0.090 22 R C 1.182 177.198 176.300 -0.473 0.000 0.840 22 R CA 0.496 56.477 56.100 -0.199 0.000 0.937 22 R CB -0.607 29.639 30.300 -0.090 0.000 1.335 22 R HN -0.062 nan 8.270 nan 0.000 0.387 23 D N 1.332 121.575 120.400 -0.261 0.000 2.144 23 D HA 0.045 4.685 4.640 -0.000 0.000 0.200 23 D C 1.568 177.836 176.300 -0.052 0.000 0.978 23 D CA 1.589 55.514 54.000 -0.125 0.000 0.833 23 D CB 0.040 40.843 40.800 0.005 0.000 0.961 23 D HN 0.376 nan 8.370 nan 0.000 0.470 24 A N 0.965 123.710 122.820 -0.125 0.000 1.849 24 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 24 A C 2.151 179.694 177.584 -0.068 0.000 1.202 24 A CA 2.216 54.239 52.037 -0.022 0.000 0.629 24 A CB -1.391 17.527 19.000 -0.135 0.000 0.834 24 A HN 0.637 nan 8.150 nan 0.000 0.447 25 H N -1.045 117.956 119.070 -0.114 0.000 2.457 25 H HA -0.077 4.478 4.556 -0.000 0.000 0.294 25 H C 1.946 177.234 175.328 -0.066 0.000 1.064 25 H CA 1.367 57.339 56.048 -0.126 0.000 1.330 25 H CB -0.498 29.148 29.762 -0.194 0.000 1.395 25 H HN 0.702 nan 8.280 nan 0.000 0.541 26 Q N 1.318 120.870 119.800 -0.412 0.000 2.167 26 Q HA -0.082 4.257 4.340 -0.000 0.000 0.202 26 Q C 1.740 177.711 176.000 -0.047 0.000 0.970 26 Q CA 1.526 57.212 55.803 -0.194 0.000 0.855 26 Q CB 0.266 28.877 28.738 -0.213 0.000 0.911 26 Q HN 0.407 nan 8.270 nan 0.000 0.438 27 S N 0.049 115.738 115.700 -0.019 0.000 2.439 27 S HA 0.080 4.549 4.470 -0.000 0.000 0.224 27 S C 1.740 176.346 174.600 0.009 0.000 1.029 27 S CA 0.451 58.666 58.200 0.025 0.000 0.946 27 S CB 0.156 63.379 63.200 0.038 0.000 0.797 27 S HN 0.337 nan 8.310 nan 0.000 0.504 28 L N 0.947 122.172 121.223 0.004 0.000 2.316 28 L HA 0.312 4.652 4.340 -0.000 0.000 0.207 28 L C 1.447 178.359 176.870 0.070 0.000 1.070 28 L CA 0.518 55.373 54.840 0.023 0.000 0.820 28 L CB -0.121 41.944 42.059 0.009 0.000 0.992 28 L HN 0.360 nan 8.230 nan 0.000 0.466 29 M N -1.097 118.546 119.600 0.073 0.000 2.911 29 M HA 0.518 4.998 4.480 -0.000 0.000 0.381 29 M C 0.448 176.772 176.300 0.040 0.000 1.287 29 M CA -0.279 55.101 55.300 0.134 0.000 0.858 29 M CB 0.607 33.294 32.600 0.145 0.000 1.385 29 M HN 0.022 nan 8.290 nan 0.000 0.504 30 A N 0.293 123.134 122.820 0.034 0.000 2.745 30 A HA -0.196 4.123 4.320 -0.000 0.000 0.296 30 A C 0.990 178.555 177.584 -0.033 0.000 1.500 30 A CA 1.225 53.257 52.037 -0.009 0.000 0.766 30 A CB -2.765 16.221 19.000 -0.024 0.000 1.030 30 A HN 1.078 nan 8.150 nan 0.000 0.489 31 T N -2.369 112.205 114.554 0.033 0.000 6.500 31 T HA -0.284 4.066 4.350 -0.000 0.000 0.302 31 T C 0.906 175.691 174.700 0.142 0.000 1.706 31 T CA 1.633 63.824 62.100 0.152 0.000 2.745 31 T CB -1.036 67.878 68.868 0.077 0.000 2.168 31 T HN 0.877 nan 8.240 nan 0.000 1.110 32 R N -0.462 120.003 120.500 -0.058 0.000 2.307 32 R HA 0.289 4.629 4.340 -0.000 0.000 0.199 32 R C 1.072 177.403 176.300 0.052 0.000 1.000 32 R CA 0.069 56.064 56.100 -0.175 0.000 1.023 32 R CB -0.448 29.387 30.300 -0.775 0.000 0.908 32 R HN 0.606 nan 8.270 nan 0.000 0.473 33 M N 1.159 120.682 119.600 -0.129 0.000 2.261 33 M HA 0.024 4.504 4.480 -0.000 0.000 0.350 33 M C -0.173 176.080 176.300 -0.078 0.000 1.343 33 M CA -0.147 54.938 55.300 -0.359 0.000 1.003 33 M CB 0.510 32.551 32.600 -0.932 0.000 1.848 33 M HN 0.135 nan 8.290 nan 0.000 0.456 34 A N 5.347 128.261 122.820 0.157 0.000 2.286 34 A HA 0.471 4.790 4.320 -0.000 0.000 0.286 34 A C 0.665 178.302 177.584 0.089 0.000 1.097 34 A CA -0.719 51.399 52.037 0.135 0.000 0.821 34 A CB 0.524 19.638 19.000 0.191 0.000 1.076 34 A HN 1.049 nan 8.150 nan 0.000 0.490 35 M N 0.642 120.278 119.600 0.060 0.000 2.200 35 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 35 M C 1.849 178.190 176.300 0.068 0.000 1.066 35 M CA 2.354 57.678 55.300 0.039 0.000 1.127 35 M CB -0.684 31.887 32.600 -0.049 0.000 1.379 35 M HN 0.893 nan 8.290 nan 0.000 0.420 36 E N -1.511 118.732 120.200 0.071 0.000 2.204 36 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 36 E C 0.985 177.648 176.600 0.104 0.000 0.990 36 E CA 1.477 57.921 56.400 0.073 0.000 0.821 36 E CB -0.666 29.073 29.700 0.066 0.000 0.750 36 E HN 0.460 nan 8.360 nan 0.000 0.477 37 D N -0.012 120.469 120.400 0.135 0.000 2.348 37 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 37 D C 1.687 178.110 176.300 0.204 0.000 0.970 37 D CA 0.844 54.939 54.000 0.159 0.000 0.889 37 D CB 0.169 41.106 40.800 0.228 0.000 0.912 37 D HN 0.392 nan 8.370 nan 0.000 0.524 38 M N -0.459 119.268 119.600 0.211 0.000 2.858 38 M HA -0.035 4.445 4.480 -0.000 0.000 0.255 38 M C 2.343 178.734 176.300 0.152 0.000 1.336 38 M CA 0.261 55.722 55.300 0.268 0.000 1.220 38 M CB 0.150 32.977 32.600 0.377 0.000 1.252 38 M HN -0.123 nan 8.290 nan 0.000 0.538 39 V N -0.695 119.317 119.914 0.163 0.000 2.527 39 V HA -0.172 3.947 4.120 -0.000 0.000 0.255 39 V C 1.934 178.022 176.094 -0.009 0.000 1.081 39 V CA 2.312 64.680 62.300 0.113 0.000 1.092 39 V CB -2.277 29.588 31.823 0.069 0.000 0.673 39 V HN 0.556 nan 8.190 nan 0.000 0.470 40 G N -0.416 108.344 108.800 -0.068 0.000 2.498 40 G HA2 0.082 4.042 3.960 -0.000 0.000 0.219 40 G HA3 0.082 4.042 3.960 -0.000 0.000 0.219 40 G C 1.380 175.997 174.900 -0.471 0.000 1.119 40 G CA 0.779 45.781 45.100 -0.163 0.000 0.766 40 G HN 1.065 nan 8.290 nan 0.000 0.552 41 A N -1.097 121.330 122.820 -0.654 0.000 2.390 41 A HA 0.340 4.660 4.320 -0.000 0.000 0.232 41 A C 2.102 179.587 177.584 -0.164 0.000 1.233 41 A CA 0.561 52.284 52.037 -0.523 0.000 0.907 41 A CB -0.390 18.238 19.000 -0.619 0.000 0.967 41 A HN 0.296 nan 8.150 nan 0.000 0.512 42 C N -0.732 118.513 119.300 -0.091 0.000 2.432 42 C HA -0.022 4.437 4.460 -0.000 0.000 0.277 42 C C 3.230 178.209 174.990 -0.019 0.000 1.249 42 C CA 1.268 60.276 59.018 -0.017 0.000 1.725 42 C CB -1.091 26.686 27.740 0.062 0.000 2.028 42 C HN 0.726 nan 8.230 nan 0.000 0.477 43 A N 0.729 123.533 122.820 -0.026 0.000 1.873 43 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 43 A C 1.832 179.408 177.584 -0.013 0.000 1.193 43 A CA 2.387 54.414 52.037 -0.017 0.000 0.629 43 A CB -0.741 18.245 19.000 -0.022 0.000 0.826 43 A HN 0.587 nan 8.150 nan 0.000 0.447 44 D N -0.181 120.204 120.400 -0.024 0.000 2.097 44 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 44 D C 1.904 178.226 176.300 0.036 0.000 0.989 44 D CA 1.242 55.240 54.000 -0.004 0.000 0.827 44 D CB -0.365 40.427 40.800 -0.014 0.000 0.966 44 D HN 0.516 nan 8.370 nan 0.000 0.456 45 I N 0.875 121.477 120.570 0.054 0.000 2.264 45 I HA -0.281 3.888 4.170 -0.000 0.000 0.248 45 I C 2.094 178.288 176.117 0.127 0.000 1.111 45 I CA 1.251 62.633 61.300 0.137 0.000 1.382 45 I CB -0.139 37.891 38.000 0.051 0.000 1.060 45 I HN -0.063 nan 8.210 nan 0.000 0.418 46 D N 0.769 121.195 120.400 0.044 0.000 2.144 46 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 46 D C 1.926 178.239 176.300 0.022 0.000 0.978 46 D CA 1.268 55.282 54.000 0.024 0.000 0.833 46 D CB 0.128 40.927 40.800 -0.000 0.000 0.961 46 D HN 0.312 nan 8.370 nan 0.000 0.470 47 A N -0.511 122.318 122.820 0.014 0.000 2.275 47 A HA 0.520 4.839 4.320 -0.000 0.000 0.212 47 A C 2.022 179.589 177.584 -0.028 0.000 1.201 47 A CA 0.772 52.806 52.037 -0.005 0.000 0.843 47 A CB -0.253 18.743 19.000 -0.007 0.000 0.873 47 A HN 0.277 nan 8.150 nan 0.000 0.492 48 A N -0.503 122.297 122.820 -0.033 0.000 1.877 48 A HA 0.317 4.637 4.320 -0.000 0.000 0.216 48 A C 1.861 179.294 177.584 -0.252 0.000 1.186 48 A CA 1.784 53.719 52.037 -0.170 0.000 0.620 48 A CB -0.722 18.114 19.000 -0.274 0.000 0.822 48 A HN 1.798 nan 8.150 nan 0.000 0.443 49 G N -3.223 105.462 108.800 -0.192 0.000 2.155 49 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.135 49 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.135 49 G C -0.134 174.688 174.900 -0.131 0.000 1.023 49 G CA -0.163 44.853 45.100 -0.140 0.000 0.688 49 G HN 0.397 nan 8.290 nan 0.000 0.499 50 Y N -1.232 119.056 120.300 -0.019 0.000 2.379 50 Y HA 0.369 4.919 4.550 -0.000 0.000 0.337 50 Y C 1.526 177.435 175.900 0.016 0.000 1.238 50 Y CA 0.031 58.133 58.100 0.003 0.000 1.405 50 Y CB 0.584 39.026 38.460 -0.031 0.000 1.310 50 Y HN 0.254 nan 8.280 nan 0.000 0.569 51 W N 1.900 123.274 121.300 0.124 0.000 2.381 51 W HA -0.029 4.631 4.660 -0.000 0.000 0.301 51 W C 0.138 176.660 176.519 0.005 0.000 1.205 51 W CA 1.446 58.812 57.345 0.035 0.000 1.285 51 W CB 0.109 29.573 29.460 0.007 0.000 1.133 51 W HN 0.438 nan 8.180 nan 0.000 0.521 52 S N -1.220 114.490 115.700 0.016 0.000 2.570 52 S HA 0.578 5.048 4.470 -0.000 0.000 0.270 52 S C -1.507 173.016 174.600 -0.128 0.000 1.149 52 S CA -1.101 56.977 58.200 -0.204 0.000 0.837 52 S CB 2.051 65.142 63.200 -0.181 0.000 1.124 52 S HN -0.126 nan 8.310 nan 0.000 0.465 53 V N 1.781 121.572 119.914 -0.206 0.000 2.349 53 V HA 0.438 4.558 4.120 -0.000 0.000 0.284 53 V C -0.010 175.942 176.094 -0.236 0.000 1.014 53 V CA -0.482 61.650 62.300 -0.279 0.000 0.826 53 V CB 1.063 32.713 31.823 -0.289 0.000 1.009 53 V HN 0.997 nan 8.190 nan 0.000 0.431 54 E N 4.000 124.069 120.200 -0.219 0.000 2.220 54 E HA 0.138 4.488 4.350 -0.000 0.000 0.272 54 E C 0.431 176.928 176.600 -0.172 0.000 1.099 54 E CA -0.147 56.159 56.400 -0.157 0.000 0.907 54 E CB 0.445 30.061 29.700 -0.140 0.000 1.022 54 E HN 0.949 nan 8.360 nan 0.000 0.428 55 C N 3.707 122.940 119.300 -0.111 0.000 3.226 55 C HA 0.544 5.004 4.460 -0.000 0.000 0.258 55 C C -0.528 174.630 174.990 0.279 0.000 1.688 55 C CA -0.999 57.959 59.018 -0.100 0.000 1.774 55 C CB -1.471 25.986 27.740 -0.471 0.000 3.167 55 C HN 0.759 nan 8.230 nan 0.000 0.509 56 W N 0.057 121.337 121.300 -0.034 0.000 2.937 56 W HA 0.612 5.272 4.660 -0.000 0.000 0.360 56 W C 0.413 176.932 176.519 -0.001 0.000 1.215 56 W CA 1.088 58.438 57.345 0.008 0.000 1.183 56 W CB 0.675 30.126 29.460 -0.015 0.000 1.458 56 W HN 1.028 nan 8.180 nan 0.000 0.574 57 G N 0.935 109.625 108.800 -0.183 0.000 2.545 57 G HA2 0.425 4.385 3.960 -0.000 0.000 0.216 57 G HA3 0.425 4.385 3.960 -0.000 0.000 0.216 57 G C 0.619 175.448 174.900 -0.117 0.000 1.314 57 G CA 0.806 45.831 45.100 -0.125 0.000 0.906 57 G HN 2.308 nan 8.290 nan 0.000 0.563 58 G N -0.844 107.932 108.800 -0.040 0.000 2.582 58 G HA2 0.194 4.153 3.960 -0.000 0.000 0.300 58 G HA3 0.194 4.153 3.960 -0.000 0.000 0.300 58 G C 1.452 176.332 174.900 -0.034 0.000 1.300 58 G CA 2.409 47.492 45.100 -0.028 0.000 0.959 58 G HN 2.555 nan 8.290 nan 0.000 0.548 59 A N -0.533 122.270 122.820 -0.027 0.000 2.278 59 A HA 0.431 4.750 4.320 -0.000 0.000 0.212 59 A C 2.360 179.913 177.584 -0.052 0.000 1.213 59 A CA 2.079 54.109 52.037 -0.012 0.000 0.840 59 A CB -0.742 18.269 19.000 0.018 0.000 0.866 59 A HN 2.020 nan 8.150 nan 0.000 0.489 60 T N -3.707 110.796 114.554 -0.086 0.000 2.857 60 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 60 T C 1.754 176.325 174.700 -0.215 0.000 1.048 60 T CA 1.464 63.508 62.100 -0.094 0.000 1.139 60 T CB -0.626 68.201 68.868 -0.067 0.000 0.874 60 T HN 0.465 nan 8.240 nan 0.000 0.455 61 Y N 2.207 122.255 120.300 -0.421 0.000 2.128 61 Y HA -0.169 4.381 4.550 -0.000 0.000 0.284 61 Y C 2.353 177.924 175.900 -0.548 0.000 1.154 61 Y CA 1.990 59.787 58.100 -0.506 0.000 1.149 61 Y CB -0.409 37.778 38.460 -0.455 0.000 0.976 61 Y HN 0.396 nan 8.280 nan 0.000 0.505 62 D N -1.346 118.871 120.400 -0.306 0.000 2.097 62 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 62 D C 2.308 178.280 176.300 -0.547 0.000 0.984 62 D CA 1.615 55.197 54.000 -0.696 0.000 0.826 62 D CB -0.393 40.156 40.800 -0.420 0.000 0.973 62 D HN 0.243 nan 8.370 nan 0.000 0.460 63 S N -1.420 114.104 115.700 -0.294 0.000 2.419 63 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 63 S C 2.080 176.567 174.600 -0.188 0.000 1.016 63 S CA 0.988 59.098 58.200 -0.150 0.000 0.974 63 S CB -0.664 62.593 63.200 0.094 0.000 0.786 63 S HN 0.529 nan 8.310 nan 0.000 0.492 64 C N 1.345 120.474 119.300 -0.285 0.000 2.446 64 C HA 0.078 4.538 4.460 -0.000 0.000 0.277 64 C C 2.428 177.152 174.990 -0.444 0.000 1.275 64 C CA 0.786 59.624 59.018 -0.300 0.000 1.727 64 C CB -1.242 26.279 27.740 -0.366 0.000 2.010 64 C HN 0.856 nan 8.230 nan 0.000 0.486 65 I N -0.844 119.327 120.570 -0.666 0.000 2.852 65 I HA 0.075 4.245 4.170 -0.000 0.000 0.264 65 I C 2.473 178.271 176.117 -0.533 0.000 1.179 65 I CA 1.106 61.867 61.300 -0.899 0.000 1.480 65 I CB -0.618 36.732 38.000 -1.083 0.000 1.111 65 I HN 0.150 nan 8.210 nan 0.000 0.441 66 R N 0.722 120.868 120.500 -0.591 0.000 2.173 66 R HA 0.121 4.461 4.340 -0.000 0.000 0.208 66 R C 1.232 177.211 176.300 -0.535 0.000 1.035 66 R CA 1.247 56.951 56.100 -0.660 0.000 1.004 66 R CB 0.063 29.731 30.300 -1.054 0.000 0.917 66 R HN 0.467 nan 8.270 nan 0.000 0.462 67 F N -1.592 118.298 119.950 -0.100 0.000 2.834 67 F HA 0.217 4.744 4.527 -0.000 0.000 0.332 67 F C 1.181 176.968 175.800 -0.022 0.000 1.056 67 F CA -0.451 57.524 58.000 -0.043 0.000 1.178 67 F CB 0.714 39.683 39.000 -0.052 0.000 1.037 67 F HN -0.141 nan 8.300 nan 0.000 0.580 68 L N -0.347 120.940 121.223 0.106 0.000 2.693 68 L HA 0.233 4.573 4.340 -0.000 0.000 0.235 68 L C 0.299 177.177 176.870 0.014 0.000 1.127 68 L CA -0.042 54.841 54.840 0.072 0.000 0.914 68 L CB -0.211 41.870 42.059 0.036 0.000 1.193 68 L HN 0.132 nan 8.230 nan 0.000 0.502 69 N N 2.003 120.714 118.700 0.019 0.000 2.714 69 N HA -0.271 4.469 4.740 -0.000 0.000 0.252 69 N C -0.030 175.591 175.510 0.186 0.000 1.014 69 N CA 0.677 53.811 53.050 0.141 0.000 0.735 69 N CB -0.585 37.869 38.487 -0.055 0.000 0.924 69 N HN 0.640 nan 8.380 nan 0.000 0.540 70 E N -0.179 120.055 120.200 0.058 0.000 2.277 70 E HA 0.297 4.647 4.350 -0.000 0.000 0.266 70 E C -1.493 175.088 176.600 -0.031 0.000 0.901 70 E CA -0.919 55.511 56.400 0.050 0.000 0.782 70 E CB 0.905 30.579 29.700 -0.042 0.000 1.228 70 E HN 0.254 nan 8.360 nan 0.000 0.424 71 D N 4.164 124.657 120.400 0.155 0.000 2.359 71 D HA 0.178 4.818 4.640 -0.000 0.000 0.230 71 D C -1.856 174.446 176.300 0.002 0.000 1.118 71 D CA -2.284 51.824 54.000 0.181 0.000 0.844 71 D CB 1.703 42.731 40.800 0.380 0.000 1.059 71 D HN 0.245 nan 8.370 nan 0.000 0.493 72 P HA -0.135 nan 4.420 nan 0.000 0.216 72 P C 1.004 178.377 177.300 0.121 0.000 1.154 72 P CA 1.297 64.252 63.100 -0.242 0.000 0.865 72 P CB 0.021 31.062 31.700 -1.099 0.000 0.789 73 W N -0.268 121.152 121.300 0.199 0.000 2.392 73 W HA -0.094 4.566 4.660 -0.000 0.000 0.279 73 W C 2.429 178.939 176.519 -0.014 0.000 1.225 73 W CA 0.730 58.148 57.345 0.122 0.000 1.233 73 W CB -0.704 28.834 29.460 0.131 0.000 1.122 73 W HN 0.009 nan 8.180 nan 0.000 0.561 74 E N 0.900 121.217 120.200 0.196 0.000 2.112 74 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 74 E C 2.133 178.696 176.600 -0.062 0.000 0.979 74 E CA 1.168 57.608 56.400 0.066 0.000 0.814 74 E CB -0.266 29.478 29.700 0.073 0.000 0.762 74 E HN 0.186 nan 8.360 nan 0.000 0.460 75 R N -0.105 120.345 120.500 -0.083 0.000 2.081 75 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 75 R C 2.232 178.299 176.300 -0.388 0.000 1.131 75 R CA 1.569 57.508 56.100 -0.270 0.000 0.960 75 R CB -0.462 29.771 30.300 -0.111 0.000 0.856 75 R HN 0.318 nan 8.270 nan 0.000 0.436 76 L N 1.241 122.287 121.223 -0.294 0.000 2.005 76 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 76 L C 2.126 178.847 176.870 -0.249 0.000 1.072 76 L CA 1.772 56.324 54.840 -0.481 0.000 0.744 76 L CB -0.593 40.811 42.059 -1.091 0.000 0.895 76 L HN 0.095 nan 8.230 nan 0.000 0.433 77 R N -1.081 119.321 120.500 -0.163 0.000 2.127 77 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 77 R C 2.021 178.270 176.300 -0.085 0.000 1.134 77 R CA 1.735 57.782 56.100 -0.089 0.000 0.975 77 R CB -0.609 29.670 30.300 -0.035 0.000 0.865 77 R HN 0.464 nan 8.270 nan 0.000 0.447 78 T N 0.366 114.836 114.554 -0.140 0.000 2.809 78 T HA -0.032 4.317 4.350 -0.000 0.000 0.260 78 T C 1.507 176.178 174.700 -0.047 0.000 1.039 78 T CA 1.020 63.041 62.100 -0.132 0.000 1.141 78 T CB -0.224 68.509 68.868 -0.225 0.000 0.869 78 T HN 0.172 nan 8.240 nan 0.000 0.437 79 F N 1.234 121.142 119.950 -0.069 0.000 2.126 79 F HA -0.133 4.393 4.527 -0.000 0.000 0.299 79 F C 2.786 178.533 175.800 -0.088 0.000 1.096 79 F CA 0.701 58.657 58.000 -0.074 0.000 1.255 79 F CB -0.092 38.855 39.000 -0.089 0.000 0.997 79 F HN -0.003 nan 8.300 nan 0.000 0.479 80 R N 1.465 122.008 120.500 0.073 0.000 2.105 80 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 80 R C 1.935 178.237 176.300 0.003 0.000 1.135 80 R CA 1.750 57.849 56.100 -0.001 0.000 0.967 80 R CB -0.516 29.756 30.300 -0.047 0.000 0.861 80 R HN 0.201 nan 8.270 nan 0.000 0.442 81 K N -0.446 119.958 120.400 0.006 0.000 2.116 81 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 81 K C 1.843 178.451 176.600 0.014 0.000 1.052 81 K CA 1.114 57.401 56.287 0.001 0.000 0.952 81 K CB -0.002 32.493 32.500 -0.008 0.000 0.729 81 K HN 0.251 nan 8.250 nan 0.000 0.446 82 L N 0.247 121.495 121.223 0.042 0.000 2.341 82 L HA 0.092 4.432 4.340 -0.000 0.000 0.214 82 L C 0.829 177.721 176.870 0.036 0.000 1.115 82 L CA 0.466 55.335 54.840 0.048 0.000 0.820 82 L CB 0.234 42.347 42.059 0.090 0.000 0.944 82 L HN 0.187 nan 8.230 nan 0.000 0.452 83 M N 0.465 120.084 119.600 0.032 0.000 2.746 83 M HA 0.207 4.687 4.480 -0.000 0.000 0.209 83 M C -1.760 174.529 176.300 -0.018 0.000 1.077 83 M CA -1.195 54.103 55.300 -0.003 0.000 0.695 83 M CB 1.302 33.885 32.600 -0.029 0.000 1.416 83 M HN -0.222 nan 8.290 nan 0.000 0.459 84 P HA -0.075 nan 4.420 nan 0.000 0.226 84 P C 0.162 177.442 177.300 -0.032 0.000 1.153 84 P CA 1.294 64.380 63.100 -0.022 0.000 0.777 84 P CB 0.222 31.913 31.700 -0.015 0.000 0.794 85 N N -0.814 117.865 118.700 -0.034 0.000 2.236 85 N HA 0.069 4.809 4.740 -0.000 0.000 0.196 85 N C 0.295 175.767 175.510 -0.063 0.000 1.114 85 N CA 0.219 53.244 53.050 -0.041 0.000 0.859 85 N CB 0.376 38.845 38.487 -0.030 0.000 0.982 85 N HN 0.081 nan 8.380 nan 0.000 0.493 86 S N 0.498 116.155 115.700 -0.071 0.000 2.617 86 S HA 0.384 4.853 4.470 -0.000 0.000 0.283 86 S C 0.390 174.899 174.600 -0.151 0.000 1.189 86 S CA -0.690 57.448 58.200 -0.104 0.000 1.036 86 S CB 1.897 65.045 63.200 -0.085 0.000 1.014 86 S HN 0.048 nan 8.310 nan 0.000 0.522 87 R N 1.802 122.165 120.500 -0.228 0.000 2.220 87 R HA 0.270 4.610 4.340 -0.000 0.000 0.340 87 R C -0.595 175.550 176.300 -0.258 0.000 1.076 87 R CA -0.171 55.753 56.100 -0.293 0.000 0.920 87 R CB -0.093 29.890 30.300 -0.529 0.000 1.062 87 R HN 0.485 nan 8.270 nan 0.000 0.469 88 L N 2.765 123.868 121.223 -0.200 0.000 2.426 88 L HA 0.189 4.529 4.340 -0.000 0.000 0.271 88 L C 0.430 177.182 176.870 -0.196 0.000 1.169 88 L CA 0.209 54.936 54.840 -0.189 0.000 0.836 88 L CB 0.430 42.388 42.059 -0.168 0.000 1.112 88 L HN 0.518 nan 8.230 nan 0.000 0.465 89 Q N 3.623 123.325 119.800 -0.163 0.000 2.423 89 Q HA 0.765 5.104 4.340 -0.000 0.000 0.278 89 Q C -1.158 174.793 176.000 -0.081 0.000 1.097 89 Q CA -0.821 54.907 55.803 -0.124 0.000 0.809 89 Q CB 2.775 31.475 28.738 -0.064 0.000 1.391 89 Q HN 0.679 nan 8.270 nan 0.000 0.428 90 M N 1.039 120.601 119.600 -0.062 0.000 2.622 90 M HA 0.572 5.052 4.480 -0.000 0.000 0.276 90 M C -2.072 174.261 176.300 0.054 0.000 1.265 90 M CA -1.148 54.171 55.300 0.031 0.000 0.850 90 M CB 1.738 34.411 32.600 0.121 0.000 1.720 90 M HN 0.548 nan 8.290 nan 0.000 0.465 91 L N 2.377 123.640 121.223 0.067 0.000 2.307 91 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 91 L C -1.910 175.067 176.870 0.178 0.000 1.023 91 L CA -0.569 54.327 54.840 0.092 0.000 0.810 91 L CB 1.737 43.787 42.059 -0.016 0.000 1.231 91 L HN 0.772 nan 8.230 nan 0.000 0.423 92 L N 5.038 126.420 121.223 0.266 0.000 2.441 92 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 92 L C -0.192 176.739 176.870 0.101 0.000 0.973 92 L CA -0.340 54.612 54.840 0.187 0.000 0.842 92 L CB 1.464 43.677 42.059 0.256 0.000 1.239 92 L HN 0.695 nan 8.230 nan 0.000 0.406 93 R N 4.184 124.626 120.500 -0.097 0.000 4.556 93 R HA 0.407 4.747 4.340 -0.000 0.000 0.197 93 R C 1.111 177.141 176.300 -0.449 0.000 1.791 93 R CA 0.840 56.589 56.100 -0.587 0.000 1.526 93 R CB -0.698 29.227 30.300 -0.625 0.000 1.410 93 R HN 0.994 nan 8.270 nan 0.000 0.826 94 G N 1.644 110.272 108.800 -0.286 0.000 2.698 94 G HA2 -0.496 3.464 3.960 -0.000 0.000 0.337 94 G HA3 -0.496 3.464 3.960 -0.000 0.000 0.337 94 G C 0.605 175.393 174.900 -0.187 0.000 1.286 94 G CA 0.800 45.779 45.100 -0.201 0.000 1.000 94 G HN 0.572 nan 8.290 nan 0.000 0.547 95 Q N 0.680 120.332 119.800 -0.246 0.000 2.515 95 Q HA 0.154 4.493 4.340 -0.000 0.000 0.212 95 Q C 2.038 177.863 176.000 -0.292 0.000 0.970 95 Q CA 1.779 57.448 55.803 -0.223 0.000 0.941 95 Q CB -0.328 28.252 28.738 -0.263 0.000 0.998 95 Q HN 0.632 nan 8.270 nan 0.000 0.518 96 N N -1.597 116.881 118.700 -0.370 0.000 2.254 96 N HA 0.201 4.940 4.740 -0.000 0.000 0.190 96 N C -0.010 175.406 175.510 -0.156 0.000 1.107 96 N CA 0.322 53.189 53.050 -0.304 0.000 0.869 96 N CB 0.322 38.563 38.487 -0.411 0.000 0.983 96 N HN 0.120 nan 8.380 nan 0.000 0.487 97 L N -1.207 119.886 121.223 -0.217 0.000 4.990 97 L HA -0.398 3.942 4.340 -0.000 0.000 0.053 97 L C 0.447 177.106 176.870 -0.352 0.000 3.174 97 L CA 1.507 56.129 54.840 -0.363 0.000 1.483 97 L CB -0.931 40.783 42.059 -0.575 0.000 2.968 97 L HN 0.099 nan 8.230 nan 0.000 0.908 98 L N -0.617 120.341 121.223 -0.442 0.000 3.184 98 L HA 0.375 4.714 4.340 -0.000 0.000 0.283 98 L C 0.867 177.615 176.870 -0.204 0.000 1.218 98 L CA 0.174 54.843 54.840 -0.284 0.000 1.028 98 L CB 0.687 42.519 42.059 -0.379 0.000 1.400 98 L HN 0.504 nan 8.230 nan 0.000 0.591 99 G N -0.462 108.228 108.800 -0.184 0.000 2.525 99 G HA2 0.133 4.093 3.960 -0.000 0.000 0.287 99 G HA3 0.133 4.093 3.960 -0.000 0.000 0.287 99 G C 0.221 175.095 174.900 -0.043 0.000 1.350 99 G CA -0.221 44.830 45.100 -0.081 0.000 1.039 99 G HN 0.326 nan 8.290 nan 0.000 0.513 100 Y N -1.612 118.544 120.300 -0.241 0.000 2.462 100 Y HA 0.436 4.985 4.550 -0.000 0.000 0.261 100 Y C 1.027 176.788 175.900 -0.233 0.000 1.146 100 Y CA -0.554 57.421 58.100 -0.208 0.000 1.283 100 Y CB 0.034 38.383 38.460 -0.186 0.000 1.090 100 Y HN 0.508 nan 8.280 nan 0.000 0.526 101 R N -1.066 118.823 120.500 -1.019 0.000 2.795 101 R HA 0.402 4.742 4.340 -0.000 0.000 0.268 101 R C -1.148 174.649 176.300 -0.838 0.000 1.041 101 R CA -0.914 54.648 56.100 -0.896 0.000 0.927 101 R CB 0.948 30.548 30.300 -1.168 0.000 1.235 101 R HN 0.120 nan 8.270 nan 0.000 0.463 102 H N -0.630 118.024 119.070 -0.693 0.000 2.660 102 H HA 0.232 4.788 4.556 -0.000 0.000 0.374 102 H C -0.708 174.176 175.328 -0.740 0.000 1.291 102 H CA 0.256 55.998 56.048 -0.510 0.000 1.437 102 H CB 0.671 30.278 29.762 -0.258 0.000 1.509 102 H HN 0.354 nan 8.280 nan 0.000 0.614 103 Y N -0.744 119.543 120.300 -0.022 0.000 2.609 103 Y HA 0.065 4.615 4.550 -0.000 0.000 0.342 103 Y C 0.491 176.396 175.900 0.008 0.000 1.058 103 Y CA -1.068 57.020 58.100 -0.020 0.000 1.055 103 Y CB 1.083 39.529 38.460 -0.024 0.000 1.292 103 Y HN 0.610 nan 8.280 nan 0.000 0.476 104 N N 1.108 119.925 118.700 0.195 0.000 2.416 104 N HA -0.082 4.658 4.740 -0.000 0.000 0.246 104 N C 0.210 175.764 175.510 0.073 0.000 1.260 104 N CA 0.300 53.409 53.050 0.099 0.000 0.897 104 N CB 0.882 39.431 38.487 0.103 0.000 1.110 104 N HN 0.763 nan 8.380 nan 0.000 0.439 105 D N 2.011 122.383 120.400 -0.047 0.000 2.190 105 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 105 D C 1.295 177.614 176.300 0.032 0.000 0.992 105 D CA 1.314 55.229 54.000 -0.141 0.000 0.854 105 D CB 0.100 40.532 40.800 -0.612 0.000 0.936 105 D HN 0.646 nan 8.370 nan 0.000 0.462 106 E N 0.360 120.581 120.200 0.035 0.000 2.021 106 E HA -0.170 4.179 4.350 -0.000 0.000 0.200 106 E C 2.365 178.977 176.600 0.021 0.000 1.015 106 E CA 1.321 57.738 56.400 0.028 0.000 0.824 106 E CB -0.184 29.558 29.700 0.071 0.000 0.762 106 E HN 0.127 nan 8.360 nan 0.000 0.454 107 V N 1.439 121.424 119.914 0.120 0.000 2.231 107 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 107 V C 2.513 178.682 176.094 0.124 0.000 1.058 107 V CA 1.984 64.374 62.300 0.148 0.000 1.022 107 V CB -0.955 30.960 31.823 0.154 0.000 0.640 107 V HN 0.120 nan 8.190 nan 0.000 0.445 108 V N 0.372 120.372 119.914 0.144 0.000 2.250 108 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 108 V C 2.392 178.590 176.094 0.174 0.000 1.060 108 V CA 2.507 64.914 62.300 0.180 0.000 1.030 108 V CB -0.869 31.087 31.823 0.221 0.000 0.643 108 V HN 0.599 nan 8.190 nan 0.000 0.445 109 D N -0.424 120.058 120.400 0.136 0.000 2.116 109 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 109 D C 2.403 178.698 176.300 -0.007 0.000 0.998 109 D CA 1.613 55.642 54.000 0.047 0.000 0.836 109 D CB -0.251 40.576 40.800 0.045 0.000 0.951 109 D HN 0.434 nan 8.370 nan 0.000 0.449 110 R N -0.454 119.999 120.500 -0.079 0.000 2.081 110 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 110 R C 2.369 178.675 176.300 0.009 0.000 1.131 110 R CA 0.694 56.689 56.100 -0.175 0.000 0.960 110 R CB -0.485 29.490 30.300 -0.542 0.000 0.856 110 R HN 0.173 nan 8.270 nan 0.000 0.436 111 F N 1.194 121.183 119.950 0.066 0.000 2.046 111 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 111 F C 2.190 178.181 175.800 0.318 0.000 1.123 111 F CA 1.574 59.732 58.000 0.264 0.000 1.199 111 F CB -0.418 38.712 39.000 0.216 0.000 0.972 111 F HN -0.281 nan 8.300 nan 0.000 0.474 112 V N 0.461 120.596 119.914 0.368 0.000 2.324 112 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 112 V C 2.306 178.460 176.094 0.101 0.000 1.060 112 V CA 2.304 64.735 62.300 0.219 0.000 1.042 112 V CB -0.770 31.040 31.823 -0.021 0.000 0.650 112 V HN 0.438 nan 8.190 nan 0.000 0.450 113 D N -0.092 120.328 120.400 0.033 0.000 2.116 113 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 113 D C 2.237 178.545 176.300 0.015 0.000 0.998 113 D CA 1.274 55.269 54.000 -0.008 0.000 0.836 113 D CB 0.042 40.809 40.800 -0.056 0.000 0.951 113 D HN 0.288 nan 8.370 nan 0.000 0.449 114 K N 0.487 120.882 120.400 -0.009 0.000 2.148 114 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 114 K C 2.309 179.020 176.600 0.185 0.000 1.050 114 K CA 0.296 56.550 56.287 -0.056 0.000 0.942 114 K CB -0.383 31.907 32.500 -0.350 0.000 0.724 114 K HN 0.027 nan 8.250 nan 0.000 0.446 115 S N 1.191 117.076 115.700 0.309 0.000 2.355 115 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 115 S C 2.132 176.888 174.600 0.260 0.000 1.031 115 S CA 1.260 59.660 58.200 0.333 0.000 0.993 115 S CB -0.179 63.304 63.200 0.471 0.000 0.859 115 S HN 0.431 nan 8.310 nan 0.000 0.453 116 A N 1.461 124.493 122.820 0.352 0.000 1.873 116 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 116 A C 2.015 179.667 177.584 0.115 0.000 1.186 116 A CA 1.679 53.882 52.037 0.277 0.000 0.616 116 A CB -0.722 18.409 19.000 0.220 0.000 0.823 116 A HN 0.580 nan 8.150 nan 0.000 0.442 117 E N 0.009 120.255 120.200 0.076 0.000 2.130 117 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 117 E C 1.144 177.752 176.600 0.013 0.000 0.998 117 E CA 1.390 57.804 56.400 0.023 0.000 0.806 117 E CB -0.142 29.552 29.700 -0.010 0.000 0.738 117 E HN 0.582 nan 8.360 nan 0.000 0.459 118 N N -1.059 117.658 118.700 0.029 0.000 2.398 118 N HA 0.011 4.750 4.740 -0.000 0.000 0.188 118 N C 0.731 176.206 175.510 -0.058 0.000 1.122 118 N CA 0.925 53.973 53.050 -0.004 0.000 0.866 118 N CB 1.302 39.821 38.487 0.054 0.000 0.970 118 N HN 0.372 nan 8.380 nan 0.000 0.462 119 G N 0.564 109.340 108.800 -0.040 0.000 2.205 119 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.180 119 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.180 119 G C 0.031 174.877 174.900 -0.091 0.000 1.004 119 G CA -0.194 44.869 45.100 -0.062 0.000 0.670 119 G HN 0.223 nan 8.290 nan 0.000 0.496 120 M N 2.348 121.875 119.600 -0.121 0.000 2.238 120 M HA 0.470 4.950 4.480 -0.000 0.000 0.350 120 M C 0.820 177.060 176.300 -0.099 0.000 1.321 120 M CA 0.042 55.204 55.300 -0.229 0.000 1.097 120 M CB 0.582 32.905 32.600 -0.462 0.000 1.713 120 M HN 0.118 nan 8.290 nan 0.000 0.455 121 D N 3.090 123.416 120.400 -0.125 0.000 2.490 121 D HA 0.132 4.772 4.640 -0.000 0.000 0.244 121 D C -0.275 176.088 176.300 0.106 0.000 0.979 121 D CA 0.759 54.762 54.000 0.005 0.000 0.924 121 D CB 0.361 41.113 40.800 -0.080 0.000 1.075 121 D HN 0.401 nan 8.370 nan 0.000 0.488 122 V N 1.878 121.778 119.914 -0.025 0.000 2.417 122 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 122 V C -0.960 175.191 176.094 0.093 0.000 1.024 122 V CA -0.625 61.760 62.300 0.142 0.000 0.861 122 V CB 1.472 33.308 31.823 0.022 0.000 0.985 122 V HN -0.095 nan 8.190 nan 0.000 0.436 123 F N 3.841 123.907 119.950 0.192 0.000 2.375 123 F HA 0.510 5.037 4.527 -0.000 0.000 0.361 123 F C 0.579 176.485 175.800 0.177 0.000 1.117 123 F CA -0.674 57.433 58.000 0.179 0.000 1.037 123 F CB 1.213 40.315 39.000 0.169 0.000 1.192 123 F HN 0.360 nan 8.300 nan 0.000 0.452 124 R N 3.865 124.531 120.500 0.277 0.000 2.308 124 R HA 0.489 4.829 4.340 -0.000 0.000 0.325 124 R C -1.407 175.045 176.300 0.253 0.000 1.161 124 R CA -0.220 56.010 56.100 0.216 0.000 1.022 124 R CB 0.238 30.602 30.300 0.106 0.000 1.091 124 R HN 0.476 nan 8.270 nan 0.000 0.497 125 V N 7.062 127.123 119.914 0.244 0.000 2.432 125 V HA 0.372 4.492 4.120 -0.000 0.000 0.275 125 V C -0.072 176.158 176.094 0.226 0.000 1.043 125 V CA -0.305 62.119 62.300 0.207 0.000 0.925 125 V CB 0.312 32.212 31.823 0.129 0.000 0.985 125 V HN 0.670 nan 8.190 nan 0.000 0.466 126 F N 2.142 122.100 119.950 0.013 0.000 2.650 126 F HA 0.904 5.431 4.527 -0.000 0.000 0.320 126 F C -1.165 174.624 175.800 -0.019 0.000 1.091 126 F CA -1.143 56.857 58.000 0.001 0.000 0.962 126 F CB 2.218 41.214 39.000 -0.007 0.000 1.363 126 F HN 0.403 nan 8.300 nan 0.000 0.482 127 D N 0.773 121.000 120.400 -0.289 0.000 2.936 127 D HA 0.527 5.167 4.640 -0.000 0.000 0.238 127 D C 0.342 176.601 176.300 -0.069 0.000 1.248 127 D CA -0.144 53.642 54.000 -0.356 0.000 0.903 127 D CB 2.311 43.017 40.800 -0.157 0.000 1.544 127 D HN 0.897 nan 8.370 nan 0.000 0.543 128 A N 3.521 126.276 122.820 -0.107 0.000 2.139 128 A HA -0.117 4.203 4.320 -0.000 0.000 0.221 128 A C 1.518 179.157 177.584 0.092 0.000 1.159 128 A CA 1.310 53.398 52.037 0.084 0.000 0.662 128 A CB -0.323 18.694 19.000 0.027 0.000 0.796 128 A HN 0.713 nan 8.150 nan 0.000 0.463 129 M N -1.966 117.676 119.600 0.069 0.000 2.306 129 M HA 0.171 4.651 4.480 -0.000 0.000 0.292 129 M C -0.146 176.224 176.300 0.117 0.000 1.018 129 M CA -0.134 55.227 55.300 0.102 0.000 1.007 129 M CB 0.647 33.304 32.600 0.096 0.000 1.510 129 M HN 0.305 nan 8.290 nan 0.000 0.537 130 N N 1.336 120.102 118.700 0.109 0.000 2.815 130 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 130 N C -0.642 174.918 175.510 0.082 0.000 1.114 130 N CA 0.729 53.853 53.050 0.124 0.000 0.717 130 N CB -1.373 37.227 38.487 0.188 0.000 1.074 130 N HN 0.398 nan 8.380 nan 0.000 0.555 131 D N 0.531 120.961 120.400 0.049 0.000 2.374 131 D HA 0.221 4.861 4.640 -0.000 0.000 0.240 131 D C -1.342 174.969 176.300 0.019 0.000 1.229 131 D CA -1.950 52.069 54.000 0.032 0.000 0.895 131 D CB 0.875 41.692 40.800 0.029 0.000 1.046 131 D HN 0.085 nan 8.370 nan 0.000 0.498 132 P HA -0.148 nan 4.420 nan 0.000 0.219 132 P C 1.095 178.400 177.300 0.008 0.000 1.144 132 P CA 1.079 64.189 63.100 0.017 0.000 0.806 132 P CB 0.289 31.999 31.700 0.017 0.000 0.771 133 R N -1.040 119.465 120.500 0.008 0.000 2.090 133 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 133 R C 1.608 177.913 176.300 0.008 0.000 1.110 133 R CA 1.024 57.129 56.100 0.009 0.000 0.973 133 R CB -0.691 29.613 30.300 0.007 0.000 0.869 133 R HN 0.223 nan 8.270 nan 0.000 0.440 134 N N 0.352 119.048 118.700 -0.006 0.000 2.573 134 N HA -0.061 4.679 4.740 -0.000 0.000 0.187 134 N C 1.215 176.685 175.510 -0.067 0.000 1.107 134 N CA 1.079 54.102 53.050 -0.044 0.000 0.918 134 N CB 0.176 38.610 38.487 -0.088 0.000 0.966 134 N HN 0.326 nan 8.380 nan 0.000 0.448 135 M N -1.144 118.436 119.600 -0.034 0.000 2.331 135 M HA 0.272 4.752 4.480 -0.000 0.000 0.266 135 M C 1.900 178.199 176.300 -0.002 0.000 1.055 135 M CA -0.125 55.160 55.300 -0.027 0.000 1.048 135 M CB 0.381 32.974 32.600 -0.013 0.000 1.460 135 M HN -0.001 nan 8.290 nan 0.000 0.519 136 A N 0.661 123.488 122.820 0.013 0.000 1.869 136 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 136 A C 1.871 179.473 177.584 0.030 0.000 1.203 136 A CA 2.452 54.503 52.037 0.023 0.000 0.638 136 A CB -1.049 17.974 19.000 0.038 0.000 0.831 136 A HN 0.487 nan 8.150 nan 0.000 0.450 137 H N -0.457 118.598 119.070 -0.026 0.000 2.293 137 H HA 0.042 4.598 4.556 -0.000 0.000 0.300 137 H C 2.362 177.671 175.328 -0.032 0.000 1.082 137 H CA 2.038 58.071 56.048 -0.024 0.000 1.308 137 H CB -0.495 29.258 29.762 -0.015 0.000 1.375 137 H HN 0.425 nan 8.280 nan 0.000 0.495 138 A N 0.851 123.658 122.820 -0.022 0.000 1.903 138 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 138 A C 2.420 179.927 177.584 -0.129 0.000 1.191 138 A CA 2.253 54.250 52.037 -0.066 0.000 0.638 138 A CB -0.654 18.342 19.000 -0.006 0.000 0.823 138 A HN 0.437 nan 8.150 nan 0.000 0.451 139 M N -0.656 118.891 119.600 -0.088 0.000 2.108 139 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 139 M C 2.503 178.721 176.300 -0.138 0.000 1.066 139 M CA 1.787 57.035 55.300 -0.087 0.000 1.107 139 M CB -1.397 31.174 32.600 -0.048 0.000 1.356 139 M HN 0.531 nan 8.290 nan 0.000 0.406 140 A N 0.113 122.826 122.820 -0.178 0.000 1.897 140 A HA 0.086 4.405 4.320 -0.000 0.000 0.215 140 A C 2.443 179.880 177.584 -0.246 0.000 1.181 140 A CA 1.792 53.708 52.037 -0.202 0.000 0.620 140 A CB -0.830 18.031 19.000 -0.232 0.000 0.821 140 A HN 0.477 nan 8.150 nan 0.000 0.443 141 A N -0.452 122.171 122.820 -0.328 0.000 1.940 141 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 141 A C 2.203 179.630 177.584 -0.262 0.000 1.176 141 A CA 1.896 53.764 52.037 -0.281 0.000 0.631 141 A CB -0.833 18.014 19.000 -0.254 0.000 0.814 141 A HN 0.390 nan 8.150 nan 0.000 0.446 142 V N 0.197 119.926 119.914 -0.309 0.000 2.379 142 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 142 V C 2.462 178.435 176.094 -0.202 0.000 1.044 142 V CA 1.941 64.009 62.300 -0.386 0.000 1.036 142 V CB -0.559 31.000 31.823 -0.440 0.000 0.664 142 V HN 0.386 nan 8.190 nan 0.000 0.453 143 K N 0.658 120.967 120.400 -0.151 0.000 2.057 143 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 143 K C 2.076 178.625 176.600 -0.084 0.000 1.049 143 K CA 1.452 57.681 56.287 -0.098 0.000 0.931 143 K CB -0.465 31.982 32.500 -0.088 0.000 0.714 143 K HN 0.459 nan 8.250 nan 0.000 0.440 144 K N 0.946 121.284 120.400 -0.104 0.000 2.032 144 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 144 K C 1.783 178.343 176.600 -0.067 0.000 1.048 144 K CA 1.487 57.726 56.287 -0.082 0.000 0.927 144 K CB -0.146 32.297 32.500 -0.095 0.000 0.712 144 K HN 0.069 nan 8.250 nan 0.000 0.441 145 A N 0.394 123.162 122.820 -0.086 0.000 2.248 145 A HA 0.091 4.411 4.320 -0.000 0.000 0.210 145 A C 1.241 178.812 177.584 -0.021 0.000 1.174 145 A CA 1.055 53.058 52.037 -0.057 0.000 0.750 145 A CB -0.882 18.068 19.000 -0.084 0.000 0.780 145 A HN 0.666 nan 8.150 nan 0.000 0.478 146 G N -0.893 107.892 108.800 -0.025 0.000 2.198 146 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 146 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 146 G C 0.098 175.020 174.900 0.037 0.000 1.025 146 G CA 0.757 45.859 45.100 0.002 0.000 0.769 146 G HN 0.457 nan 8.290 nan 0.000 0.507 147 K N -0.569 119.856 120.400 0.041 0.000 2.185 147 K HA 0.462 4.782 4.320 -0.000 0.000 0.240 147 K C -0.042 176.653 176.600 0.159 0.000 0.983 147 K CA -1.217 55.157 56.287 0.144 0.000 0.873 147 K CB 0.898 33.554 32.500 0.260 0.000 1.118 147 K HN 0.358 nan 8.250 nan 0.000 0.441 148 H N 0.189 119.363 119.070 0.174 0.000 2.955 148 H HA 0.286 4.842 4.556 -0.000 0.000 0.290 148 H C -0.664 174.789 175.328 0.207 0.000 1.047 148 H CA -0.003 56.152 56.048 0.177 0.000 1.484 148 H CB 0.411 30.295 29.762 0.203 0.000 1.501 148 H HN 0.574 nan 8.280 nan 0.000 0.521 149 A N 4.909 127.692 122.820 -0.063 0.000 2.301 149 A HA 0.278 4.598 4.320 -0.000 0.000 0.298 149 A C -0.344 177.288 177.584 0.081 0.000 1.185 149 A CA -0.677 51.385 52.037 0.041 0.000 0.830 149 A CB 0.601 19.571 19.000 -0.050 0.000 1.112 149 A HN 0.850 nan 8.150 nan 0.000 0.508 150 Q N 2.460 122.394 119.800 0.222 0.000 2.394 150 Q HA 0.498 4.838 4.340 -0.000 0.000 0.261 150 Q C 0.001 176.088 176.000 0.144 0.000 1.023 150 Q CA -0.380 55.554 55.803 0.218 0.000 0.720 150 Q CB 1.228 30.149 28.738 0.304 0.000 1.241 150 Q HN 0.927 nan 8.270 nan 0.000 0.483 151 G N 2.410 111.262 108.800 0.087 0.000 2.380 151 G HA2 0.359 4.319 3.960 -0.000 0.000 0.262 151 G HA3 0.359 4.319 3.960 -0.000 0.000 0.262 151 G C -0.427 174.525 174.900 0.087 0.000 1.243 151 G CA -0.039 45.105 45.100 0.073 0.000 0.865 151 G HN 0.547 nan 8.290 nan 0.000 0.513 152 T N 1.831 116.456 114.554 0.118 0.000 2.895 152 T HA 0.532 4.881 4.350 -0.000 0.000 0.283 152 T C 0.012 174.796 174.700 0.140 0.000 1.014 152 T CA -0.178 62.001 62.100 0.132 0.000 1.037 152 T CB 1.523 70.514 68.868 0.206 0.000 1.006 152 T HN 0.316 nan 8.240 nan 0.000 0.468 153 I N 1.527 122.171 120.570 0.123 0.000 2.411 153 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 153 I C -0.348 175.856 176.117 0.144 0.000 1.012 153 I CA -0.671 60.721 61.300 0.153 0.000 1.119 153 I CB 1.213 39.296 38.000 0.138 0.000 1.261 153 I HN 0.598 nan 8.210 nan 0.000 0.448 154 C N 6.503 125.913 119.300 0.183 0.000 2.416 154 C HA 0.127 4.587 4.460 -0.000 0.000 0.355 154 C C 0.303 175.368 174.990 0.125 0.000 1.211 154 C CA -0.350 58.752 59.018 0.140 0.000 1.699 154 C CB -1.347 26.486 27.740 0.156 0.000 2.310 154 C HN 0.534 nan 8.230 nan 0.000 0.539 155 Y N 3.563 123.831 120.300 -0.053 0.000 2.411 155 Y HA 0.469 5.019 4.550 -0.000 0.000 0.333 155 Y C 0.698 176.568 175.900 -0.050 0.000 1.186 155 Y CA 1.137 59.158 58.100 -0.130 0.000 1.381 155 Y CB 0.696 39.024 38.460 -0.220 0.000 1.273 155 Y HN 0.697 nan 8.280 nan 0.000 0.546 156 T N 5.669 119.719 114.554 -0.840 0.000 2.749 156 T HA 0.513 4.863 4.350 -0.000 0.000 0.310 156 T C -1.723 172.559 174.700 -0.697 0.000 1.496 156 T CA -0.795 60.932 62.100 -0.622 0.000 1.006 156 T CB 0.513 69.129 68.868 -0.421 0.000 1.457 156 T HN 0.557 nan 8.240 nan 0.000 0.497 157 I N 3.385 123.740 120.570 -0.357 0.000 2.362 157 I HA 0.631 4.801 4.170 -0.000 0.000 0.289 157 I C -0.168 175.864 176.117 -0.142 0.000 0.994 157 I CA -0.427 60.765 61.300 -0.180 0.000 1.158 157 I CB 1.677 39.666 38.000 -0.018 0.000 1.315 157 I HN 0.797 nan 8.210 nan 0.000 0.451 158 S N 4.804 120.427 115.700 -0.128 0.000 2.567 158 S HA 0.449 4.918 4.470 -0.000 0.000 0.270 158 S C -2.561 171.860 174.600 -0.298 0.000 1.152 158 S CA -1.098 56.954 58.200 -0.248 0.000 0.835 158 S CB 1.830 64.887 63.200 -0.237 0.000 1.115 158 S HN 0.257 nan 8.310 nan 0.000 0.459 159 P HA -0.089 nan 4.420 nan 0.000 0.219 159 P C 1.261 178.394 177.300 -0.278 0.000 1.144 159 P CA 1.633 64.505 63.100 -0.380 0.000 0.806 159 P CB -0.075 31.344 31.700 -0.469 0.000 0.771 160 V N -6.672 113.048 119.914 -0.324 0.000 3.528 160 V HA 0.257 4.377 4.120 -0.000 0.000 0.294 160 V C 0.220 176.109 176.094 -0.341 0.000 1.404 160 V CA -0.133 62.031 62.300 -0.227 0.000 1.065 160 V CB -1.176 30.568 31.823 -0.132 0.000 0.904 160 V HN -0.025 nan 8.190 nan 0.000 0.435 161 H N 2.523 121.453 119.070 -0.234 0.000 2.552 161 H HA 0.730 5.286 4.556 -0.000 0.000 0.311 161 H C 0.613 175.790 175.328 -0.253 0.000 1.071 161 H CA 0.915 56.774 56.048 -0.315 0.000 1.307 161 H CB 1.370 30.978 29.762 -0.257 0.000 1.416 161 H HN 0.624 nan 8.280 nan 0.000 0.464 162 T N -1.280 113.099 114.554 -0.291 0.000 2.838 162 T HA 0.255 4.605 4.350 -0.000 0.000 0.292 162 T C 1.235 175.911 174.700 -0.040 0.000 1.113 162 T CA -0.314 61.733 62.100 -0.089 0.000 1.008 162 T CB 0.642 69.463 68.868 -0.079 0.000 1.259 162 T HN 0.266 nan 8.240 nan 0.000 0.520 163 V N -0.484 119.512 119.914 0.135 0.000 2.407 163 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 163 V C 2.237 178.406 176.094 0.125 0.000 1.055 163 V CA 1.911 64.344 62.300 0.221 0.000 1.049 163 V CB -1.508 30.412 31.823 0.161 0.000 0.662 163 V HN 0.937 nan 8.190 nan 0.000 0.455 164 E N 1.828 122.053 120.200 0.040 0.000 2.049 164 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 164 E C 2.381 178.976 176.600 -0.007 0.000 1.007 164 E CA 1.663 58.073 56.400 0.016 0.000 0.809 164 E CB -0.885 28.806 29.700 -0.015 0.000 0.749 164 E HN 0.669 nan 8.360 nan 0.000 0.450 165 G N 0.066 108.798 108.800 -0.114 0.000 2.442 165 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 165 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 165 G C 1.178 175.996 174.900 -0.137 0.000 1.141 165 G CA 0.949 45.926 45.100 -0.205 0.000 0.763 165 G HN 0.278 nan 8.290 nan 0.000 0.554 166 Y N -0.117 120.236 120.300 0.087 0.000 2.337 166 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 166 Y C 2.941 178.904 175.900 0.105 0.000 1.123 166 Y CA 0.241 58.408 58.100 0.112 0.000 1.201 166 Y CB 0.062 38.610 38.460 0.146 0.000 1.011 166 Y HN 0.051 nan 8.280 nan 0.000 0.545 167 V N 0.548 120.610 119.914 0.248 0.000 2.358 167 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 167 V C 2.308 178.557 176.094 0.257 0.000 1.047 167 V CA 1.964 64.424 62.300 0.267 0.000 1.035 167 V CB -0.518 31.433 31.823 0.214 0.000 0.658 167 V HN 0.319 nan 8.190 nan 0.000 0.452 168 K N 0.009 120.506 120.400 0.160 0.000 2.063 168 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 168 K C 2.209 178.862 176.600 0.089 0.000 1.048 168 K CA 1.637 57.995 56.287 0.118 0.000 0.928 168 K CB -0.200 32.330 32.500 0.050 0.000 0.713 168 K HN 0.408 nan 8.250 nan 0.000 0.442 169 L N 0.315 121.593 121.223 0.092 0.000 2.093 169 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 169 L C 2.398 179.290 176.870 0.037 0.000 1.085 169 L CA 1.170 56.060 54.840 0.082 0.000 0.755 169 L CB -0.321 41.829 42.059 0.152 0.000 0.904 169 L HN 0.316 nan 8.230 nan 0.000 0.435 170 A N -0.347 122.492 122.820 0.032 0.000 1.933 170 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 170 A C 2.265 179.635 177.584 -0.357 0.000 1.175 170 A CA 1.547 53.516 52.037 -0.113 0.000 0.628 170 A CB -1.146 17.812 19.000 -0.069 0.000 0.814 170 A HN 0.495 nan 8.150 nan 0.000 0.444 171 G N -0.869 107.735 108.800 -0.327 0.000 2.408 171 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.217 171 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.217 171 G C 1.603 176.413 174.900 -0.150 0.000 1.150 171 G CA 0.970 45.859 45.100 -0.353 0.000 0.776 171 G HN 0.636 nan 8.290 nan 0.000 0.542 172 Q N -0.194 119.567 119.800 -0.065 0.000 2.046 172 Q HA 0.088 4.428 4.340 -0.000 0.000 0.200 172 Q C 2.662 178.632 176.000 -0.049 0.000 0.975 172 Q CA 0.816 56.599 55.803 -0.032 0.000 0.836 172 Q CB -0.300 28.436 28.738 -0.003 0.000 0.896 172 Q HN 0.396 nan 8.270 nan 0.000 0.428 173 L N 0.431 121.621 121.223 -0.056 0.000 2.013 173 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 173 L C 2.370 179.195 176.870 -0.074 0.000 1.073 173 L CA 1.185 55.997 54.840 -0.047 0.000 0.753 173 L CB -0.557 41.482 42.059 -0.033 0.000 0.890 173 L HN 0.284 nan 8.230 nan 0.000 0.432 174 L N -0.691 120.453 121.223 -0.132 0.000 1.994 174 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 174 L C 2.365 179.186 176.870 -0.081 0.000 1.071 174 L CA 1.239 56.000 54.840 -0.131 0.000 0.745 174 L CB -0.699 41.223 42.059 -0.229 0.000 0.892 174 L HN 0.283 nan 8.230 nan 0.000 0.431 175 D N 0.481 120.838 120.400 -0.071 0.000 2.158 175 D HA -0.207 4.432 4.640 -0.000 0.000 0.197 175 D C 1.922 178.206 176.300 -0.027 0.000 0.995 175 D CA 1.697 55.678 54.000 -0.032 0.000 0.846 175 D CB -0.151 40.640 40.800 -0.015 0.000 0.941 175 D HN 0.476 nan 8.370 nan 0.000 0.456 176 M N -1.608 117.974 119.600 -0.030 0.000 2.686 176 M HA 0.347 4.827 4.480 -0.000 0.000 0.216 176 M C 0.717 176.996 176.300 -0.036 0.000 1.221 176 M CA 0.423 55.708 55.300 -0.025 0.000 0.992 176 M CB 0.117 32.706 32.600 -0.018 0.000 1.739 176 M HN -0.091 nan 8.290 nan 0.000 0.461 177 G N 1.256 110.032 108.800 -0.040 0.000 2.298 177 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.287 177 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.287 177 G C -0.028 174.835 174.900 -0.061 0.000 1.075 177 G CA 0.101 45.172 45.100 -0.048 0.000 0.960 177 G HN 1.031 nan 8.290 nan 0.000 0.502 178 A N -0.091 122.692 122.820 -0.062 0.000 2.328 178 A HA 0.618 4.938 4.320 -0.000 0.000 0.284 178 A C 1.113 178.642 177.584 -0.092 0.000 1.160 178 A CA 0.168 52.166 52.037 -0.065 0.000 0.818 178 A CB 0.475 19.450 19.000 -0.043 0.000 1.087 178 A HN 0.288 nan 8.150 nan 0.000 0.504 179 D N 0.773 121.070 120.400 -0.172 0.000 2.347 179 D HA 0.036 4.676 4.640 -0.000 0.000 0.215 179 D C 0.404 176.647 176.300 -0.095 0.000 0.976 179 D CA 1.592 55.442 54.000 -0.250 0.000 0.884 179 D CB 0.086 40.483 40.800 -0.672 0.000 0.915 179 D HN 0.668 nan 8.370 nan 0.000 0.526 180 S N -0.419 115.280 115.700 -0.001 0.000 2.597 180 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 180 S C -1.346 173.286 174.600 0.054 0.000 1.132 180 S CA -1.055 57.197 58.200 0.087 0.000 0.835 180 S CB 1.450 64.804 63.200 0.256 0.000 1.092 180 S HN -0.078 nan 8.310 nan 0.000 0.457 181 I N 1.282 121.862 120.570 0.016 0.000 2.404 181 I HA 0.713 4.882 4.170 -0.000 0.000 0.293 181 I C 0.223 176.342 176.117 0.004 0.000 0.992 181 I CA -0.791 60.513 61.300 0.007 0.000 1.149 181 I CB 1.027 39.017 38.000 -0.017 0.000 1.315 181 I HN 1.017 nan 8.210 nan 0.000 0.446 182 A N 6.596 129.430 122.820 0.023 0.000 2.303 182 A HA 0.670 4.990 4.320 -0.000 0.000 0.320 182 A C -0.633 176.958 177.584 0.011 0.000 1.192 182 A CA -0.402 51.641 52.037 0.011 0.000 0.821 182 A CB 1.266 20.281 19.000 0.025 0.000 1.188 182 A HN 0.606 nan 8.150 nan 0.000 0.492 186 I N 1.646 122.157 120.570 -0.099 0.000 3.059 186 I HA 0.196 4.366 4.170 -0.000 0.000 0.270 186 I C 1.307 177.205 176.117 -0.366 0.000 1.238 186 I CA 0.840 61.873 61.300 -0.445 0.000 1.478 186 I CB 0.307 38.073 38.000 -0.390 0.000 1.097 186 I HN 0.374 nan 8.210 nan 0.000 0.455 187 A N 0.498 123.224 122.820 -0.157 0.000 2.348 187 A HA 0.575 4.895 4.320 -0.000 0.000 0.224 187 A C 1.352 178.878 177.584 -0.096 0.000 1.227 187 A CA 0.460 52.419 52.037 -0.132 0.000 0.885 187 A CB -0.167 18.762 19.000 -0.119 0.000 0.933 187 A HN 0.744 nan 8.150 nan 0.000 0.506 188 A N -1.147 121.656 122.820 -0.029 0.000 2.869 188 A HA -0.167 4.153 4.320 -0.000 0.000 0.280 188 A C 0.880 178.506 177.584 0.070 0.000 1.458 188 A CA 1.122 53.171 52.037 0.020 0.000 0.776 188 A CB -2.412 16.592 19.000 0.006 0.000 1.028 188 A HN 0.603 nan 8.150 nan 0.000 0.547 189 L N -1.382 119.917 121.223 0.127 0.000 2.509 189 L HA 0.167 4.507 4.340 -0.000 0.000 0.222 189 L C 1.094 178.269 176.870 0.509 0.000 1.123 189 L CA 0.235 55.257 54.840 0.304 0.000 0.856 189 L CB 0.103 42.317 42.059 0.258 0.000 0.985 189 L HN 0.610 nan 8.230 nan 0.000 0.456 190 L N 1.816 123.157 121.223 0.196 0.000 2.515 190 L HA 0.105 4.445 4.340 -0.000 0.000 0.281 190 L C 0.388 177.237 176.870 -0.035 0.000 1.131 190 L CA 0.426 55.133 54.840 -0.222 0.000 0.905 190 L CB -0.319 41.416 42.059 -0.540 0.000 1.246 190 L HN -0.017 nan 8.230 nan 0.000 0.463 191 K N 5.754 126.176 120.400 0.036 0.000 2.102 191 K HA 0.270 4.590 4.320 -0.000 0.000 0.244 191 K C -1.742 174.840 176.600 -0.030 0.000 1.021 191 K CA -1.429 54.859 56.287 0.002 0.000 0.913 191 K CB 0.325 32.805 32.500 -0.032 0.000 1.062 191 K HN 0.300 nan 8.250 nan 0.000 0.485 192 P HA -0.248 nan 4.420 nan 0.000 0.208 192 P C 1.251 178.565 177.300 0.023 0.000 1.180 192 P CA 1.362 64.453 63.100 -0.015 0.000 0.935 192 P CB 0.172 31.855 31.700 -0.029 0.000 0.785 193 Q N -0.508 119.304 119.800 0.020 0.000 2.077 193 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 193 Q C -0.689 175.382 176.000 0.119 0.000 0.989 193 Q CA 2.885 58.728 55.803 0.068 0.000 0.853 193 Q CB -2.084 26.674 28.738 0.034 0.000 0.907 193 Q HN 0.212 nan 8.270 nan 0.000 0.418 194 P HA -0.107 nan 4.420 nan 0.000 0.216 194 P C 0.716 178.028 177.300 0.021 0.000 1.153 194 P CA 2.111 65.263 63.100 0.086 0.000 0.848 194 P CB -0.356 31.413 31.700 0.115 0.000 0.787 195 A N -1.275 121.520 122.820 -0.042 0.000 1.908 195 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 195 A C 2.319 179.891 177.584 -0.020 0.000 1.181 195 A CA 1.705 53.682 52.037 -0.101 0.000 0.627 195 A CB -1.932 17.003 19.000 -0.107 0.000 0.818 195 A HN 0.198 nan 8.150 nan 0.000 0.445 196 Y N 1.132 121.396 120.300 -0.061 0.000 2.133 196 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 196 Y C 1.990 177.880 175.900 -0.017 0.000 1.134 196 Y CA 2.013 60.089 58.100 -0.041 0.000 1.133 196 Y CB -0.232 38.210 38.460 -0.030 0.000 0.987 196 Y HN 0.346 nan 8.280 nan 0.000 0.502 197 D N 0.618 121.037 120.400 0.031 0.000 2.092 197 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 197 D C 2.378 178.626 176.300 -0.086 0.000 0.994 197 D CA 2.094 56.066 54.000 -0.047 0.000 0.828 197 D CB -0.512 40.349 40.800 0.101 0.000 0.963 197 D HN 0.469 nan 8.370 nan 0.000 0.450 198 I N 1.079 121.639 120.570 -0.016 0.000 2.151 198 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 198 I C 2.362 178.452 176.117 -0.046 0.000 1.080 198 I CA 0.709 62.018 61.300 0.014 0.000 1.339 198 I CB -0.133 37.877 38.000 0.016 0.000 1.039 198 I HN -0.003 nan 8.210 nan 0.000 0.409 199 I N 0.674 121.176 120.570 -0.114 0.000 2.142 199 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 199 I C 2.545 178.572 176.117 -0.149 0.000 1.078 199 I CA 1.580 62.805 61.300 -0.125 0.000 1.343 199 I CB -1.254 36.656 38.000 -0.150 0.000 1.046 199 I HN 0.215 nan 8.210 nan 0.000 0.405 200 K N 1.629 121.860 120.400 -0.281 0.000 2.032 200 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 200 K C 2.128 178.644 176.600 -0.139 0.000 1.048 200 K CA 1.867 57.979 56.287 -0.290 0.000 0.927 200 K CB -0.540 31.630 32.500 -0.549 0.000 0.712 200 K HN 0.259 nan 8.250 nan 0.000 0.441 201 A N 0.881 123.642 122.820 -0.097 0.000 1.865 201 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 201 A C 2.290 179.879 177.584 0.008 0.000 1.191 201 A CA 1.916 53.935 52.037 -0.029 0.000 0.623 201 A CB -0.782 18.227 19.000 0.014 0.000 0.826 201 A HN 0.350 nan 8.150 nan 0.000 0.444 202 I N -0.508 120.095 120.570 0.056 0.000 2.091 202 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 202 I C 2.441 178.637 176.117 0.132 0.000 1.061 202 I CA 1.645 63.041 61.300 0.161 0.000 1.317 202 I CB -0.464 37.615 38.000 0.132 0.000 1.031 202 I HN 0.238 nan 8.210 nan 0.000 0.401 203 K N 0.519 120.945 120.400 0.043 0.000 2.103 203 K HA -0.201 4.118 4.320 -0.000 0.000 0.207 203 K C 1.702 178.303 176.600 0.003 0.000 1.048 203 K CA 1.467 57.769 56.287 0.024 0.000 0.930 203 K CB -0.556 31.933 32.500 -0.018 0.000 0.716 203 K HN 0.359 nan 8.250 nan 0.000 0.444 204 D N 0.018 120.401 120.400 -0.028 0.000 2.117 204 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 204 D C 1.742 177.989 176.300 -0.088 0.000 0.982 204 D CA 1.235 55.207 54.000 -0.048 0.000 0.828 204 D CB 0.074 40.843 40.800 -0.052 0.000 0.967 204 D HN 0.188 nan 8.370 nan 0.000 0.464 205 T N -0.627 113.840 114.554 -0.144 0.000 2.814 205 T HA -0.077 4.273 4.350 -0.000 0.000 0.254 205 T C 1.664 176.084 174.700 -0.465 0.000 1.037 205 T CA 0.781 62.665 62.100 -0.360 0.000 1.143 205 T CB -0.313 68.214 68.868 -0.569 0.000 0.866 205 T HN 0.199 nan 8.240 nan 0.000 0.431 206 Y N 1.119 121.420 120.300 0.001 0.000 2.500 206 Y HA 0.446 4.996 4.550 -0.000 0.000 0.270 206 Y C 1.434 177.335 175.900 0.001 0.000 1.134 206 Y CA 0.071 58.173 58.100 0.003 0.000 1.293 206 Y CB 0.324 38.787 38.460 0.005 0.000 1.063 206 Y HN 0.394 nan 8.280 nan 0.000 0.534 207 G N 0.078 108.930 108.800 0.086 0.000 2.640 207 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 207 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 207 G C -0.108 174.823 174.900 0.052 0.000 1.229 207 G CA -0.779 44.355 45.100 0.056 0.000 0.796 207 G HN -0.092 nan 8.290 nan 0.000 0.654 208 Q N 0.577 120.396 119.800 0.031 0.000 2.248 208 Q HA -0.164 4.176 4.340 -0.000 0.000 0.208 208 Q C 2.568 178.584 176.000 0.027 0.000 0.984 208 Q CA 2.160 57.977 55.803 0.024 0.000 0.875 208 Q CB -0.249 28.502 28.738 0.022 0.000 0.910 208 Q HN 0.950 nan 8.270 nan 0.000 0.433 209 K N 0.066 120.487 120.400 0.035 0.000 2.211 209 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 209 K C 0.365 176.986 176.600 0.035 0.000 1.050 209 K CA 0.687 56.995 56.287 0.036 0.000 0.945 209 K CB -0.384 32.140 32.500 0.040 0.000 0.732 209 K HN -0.144 nan 8.250 nan 0.000 0.451 210 T N 3.007 117.587 114.554 0.043 0.000 2.758 210 T HA -0.085 4.264 4.350 -0.000 0.000 0.281 210 T C -0.232 174.473 174.700 0.008 0.000 0.963 210 T CA 0.199 62.321 62.100 0.036 0.000 1.201 210 T CB 0.567 69.474 68.868 0.065 0.000 0.906 210 T HN 0.294 nan 8.240 nan 0.000 0.528 211 Q N 3.643 123.444 119.800 0.002 0.000 2.286 211 Q HA 0.446 4.786 4.340 -0.000 0.000 0.257 211 Q C -0.870 175.097 176.000 -0.054 0.000 0.941 211 Q CA -0.237 55.546 55.803 -0.033 0.000 0.912 211 Q CB 0.411 29.144 28.738 -0.008 0.000 1.192 211 Q HN 0.651 nan 8.270 nan 0.000 0.410 212 I N 3.511 124.021 120.570 -0.099 0.000 2.533 212 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 212 I C -1.184 174.842 176.117 -0.151 0.000 1.056 212 I CA -1.083 60.160 61.300 -0.096 0.000 1.057 212 I CB 2.238 40.194 38.000 -0.072 0.000 1.240 212 I HN 0.592 nan 8.210 nan 0.000 0.423 213 N N 5.248 123.868 118.700 -0.133 0.000 2.372 213 N HA 0.528 5.268 4.740 -0.000 0.000 0.285 213 N C -1.255 174.211 175.510 -0.073 0.000 1.008 213 N CA -0.513 52.448 53.050 -0.147 0.000 0.880 213 N CB 2.041 40.431 38.487 -0.162 0.000 1.239 213 N HN 0.358 nan 8.380 nan 0.000 0.484 214 L N 2.478 123.660 121.223 -0.069 0.000 2.272 214 L HA 0.375 4.714 4.340 -0.000 0.000 0.289 214 L C -0.771 176.108 176.870 0.016 0.000 1.032 214 L CA -0.512 54.302 54.840 -0.043 0.000 0.810 214 L CB 0.316 42.327 42.059 -0.079 0.000 1.205 214 L HN 0.659 nan 8.230 nan 0.000 0.422 215 H N 4.597 123.639 119.070 -0.046 0.000 2.697 215 H HA 0.475 5.030 4.556 -0.000 0.000 0.270 215 H C -1.224 174.140 175.328 0.059 0.000 1.188 215 H CA -0.368 55.681 56.048 0.001 0.000 1.322 215 H CB 0.393 30.156 29.762 0.002 0.000 1.405 215 H HN 0.734 nan 8.280 nan 0.000 0.502 216 C N 4.630 123.820 119.300 -0.185 0.000 2.382 216 C HA 0.369 4.829 4.460 -0.000 0.000 0.327 216 C C 0.279 175.212 174.990 -0.095 0.000 1.250 216 C CA -0.583 58.376 59.018 -0.098 0.000 1.707 216 C CB 0.525 28.221 27.740 -0.075 0.000 2.272 216 C HN 0.869 nan 8.230 nan 0.000 0.506 217 H N 0.704 119.646 119.070 -0.212 0.000 2.500 217 H HA 0.279 4.835 4.556 -0.000 0.000 0.351 217 H C 0.530 175.756 175.328 -0.171 0.000 1.281 217 H CA 0.043 55.931 56.048 -0.267 0.000 1.368 217 H CB 1.378 30.971 29.762 -0.282 0.000 1.616 217 H HN 0.708 nan 8.280 nan 0.000 0.591 218 S N -0.613 115.038 115.700 -0.083 0.000 2.741 218 S HA 0.040 4.510 4.470 -0.000 0.000 0.247 218 S C 0.982 175.562 174.600 -0.032 0.000 1.050 218 S CA -0.455 57.716 58.200 -0.050 0.000 1.025 218 S CB 0.020 63.179 63.200 -0.069 0.000 0.897 218 S HN 0.529 nan 8.310 nan 0.000 0.508 219 T N 2.834 117.371 114.554 -0.028 0.000 2.833 219 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 219 T C 2.066 176.749 174.700 -0.029 0.000 1.054 219 T CA 2.227 64.305 62.100 -0.036 0.000 1.135 219 T CB -0.606 68.230 68.868 -0.053 0.000 0.869 219 T HN 0.828 nan 8.240 nan 0.000 0.466 220 T N -1.574 112.972 114.554 -0.014 0.000 3.057 220 T HA 0.401 4.751 4.350 -0.000 0.000 0.254 220 T C 1.817 176.577 174.700 0.101 0.000 1.094 220 T CA 0.699 62.821 62.100 0.036 0.000 1.088 220 T CB -0.043 68.864 68.868 0.065 0.000 0.934 220 T HN 0.520 nan 8.240 nan 0.000 0.497 221 G N 0.967 109.806 108.800 0.065 0.000 2.136 221 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 221 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 221 G C 0.698 175.635 174.900 0.061 0.000 0.989 221 G CA 0.508 45.639 45.100 0.053 0.000 0.682 221 G HN 1.456 nan 8.290 nan 0.000 0.522 222 V N -2.850 117.117 119.914 0.088 0.000 3.432 222 V HA 0.370 4.489 4.120 -0.000 0.000 0.298 222 V C 2.106 178.221 176.094 0.036 0.000 1.464 222 V CA 1.654 63.991 62.300 0.061 0.000 1.046 222 V CB -0.020 31.848 31.823 0.075 0.000 0.887 222 V HN 0.766 nan 8.190 nan 0.000 0.441 223 T N -2.329 112.244 114.554 0.033 0.000 3.055 223 T HA -0.049 4.301 4.350 -0.000 0.000 0.265 223 T C 1.553 176.241 174.700 -0.019 0.000 1.111 223 T CA 1.478 63.579 62.100 0.000 0.000 1.118 223 T CB -0.142 68.722 68.868 -0.007 0.000 0.909 223 T HN 0.636 nan 8.240 nan 0.000 0.501 224 E N 0.796 120.988 120.200 -0.014 0.000 2.208 224 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 224 E C 1.870 178.458 176.600 -0.020 0.000 0.988 224 E CA 0.595 56.983 56.400 -0.020 0.000 0.828 224 E CB -0.104 29.589 29.700 -0.013 0.000 0.763 224 E HN 0.444 nan 8.360 nan 0.000 0.478 225 V N 0.308 120.213 119.914 -0.016 0.000 2.453 225 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 225 V C 2.247 178.326 176.094 -0.025 0.000 1.048 225 V CA 1.625 63.914 62.300 -0.019 0.000 1.049 225 V CB -0.270 31.542 31.823 -0.018 0.000 0.672 225 V HN 0.213 nan 8.190 nan 0.000 0.457 226 S N 0.370 116.053 115.700 -0.029 0.000 2.382 226 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 226 S C 1.896 176.468 174.600 -0.047 0.000 1.027 226 S CA 1.267 59.444 58.200 -0.039 0.000 0.991 226 S CB -0.351 62.814 63.200 -0.058 0.000 0.823 226 S HN 0.357 nan 8.310 nan 0.000 0.469 227 L N 0.774 121.966 121.223 -0.051 0.000 2.083 227 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 227 L C 2.305 179.136 176.870 -0.065 0.000 1.083 227 L CA 1.452 56.256 54.840 -0.062 0.000 0.752 227 L CB -0.693 41.333 42.059 -0.055 0.000 0.899 227 L HN 0.309 nan 8.230 nan 0.000 0.433 228 M N -1.068 118.503 119.600 -0.048 0.000 2.099 228 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 228 M C 2.104 178.373 176.300 -0.052 0.000 1.067 228 M CA 1.701 56.971 55.300 -0.050 0.000 1.124 228 M CB -0.329 32.258 32.600 -0.022 0.000 1.353 228 M HN -0.075 nan 8.290 nan 0.000 0.410 229 K N 0.453 120.843 120.400 -0.018 0.000 2.002 229 K HA -0.023 4.296 4.320 -0.000 0.000 0.209 229 K C 2.128 178.782 176.600 0.090 0.000 1.048 229 K CA 1.692 58.006 56.287 0.045 0.000 0.930 229 K CB -1.395 31.142 32.500 0.060 0.000 0.714 229 K HN 0.474 nan 8.250 nan 0.000 0.438 230 A N 1.489 124.314 122.820 0.008 0.000 1.927 230 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 230 A C 2.322 179.849 177.584 -0.095 0.000 1.185 230 A CA 1.729 53.739 52.037 -0.045 0.000 0.639 230 A CB -0.745 18.206 19.000 -0.083 0.000 0.820 230 A HN 0.270 nan 8.150 nan 0.000 0.451 231 I N -0.672 119.803 120.570 -0.159 0.000 2.394 231 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 231 I C 2.377 178.245 176.117 -0.415 0.000 1.136 231 I CA 1.317 62.420 61.300 -0.328 0.000 1.425 231 I CB -0.329 37.416 38.000 -0.425 0.000 1.079 231 I HN 0.437 nan 8.210 nan 0.000 0.425 232 E N 0.958 121.043 120.200 -0.192 0.000 2.107 232 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 232 E C 2.213 178.914 176.600 0.168 0.000 0.982 232 E CA 1.063 57.478 56.400 0.026 0.000 0.809 232 E CB -0.130 29.656 29.700 0.143 0.000 0.756 232 E HN 0.474 nan 8.360 nan 0.000 0.459 233 A N 0.655 123.557 122.820 0.136 0.000 2.209 233 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 233 A C 1.550 179.085 177.584 -0.082 0.000 1.158 233 A CA 0.890 52.870 52.037 -0.094 0.000 0.742 233 A CB -0.360 18.404 19.000 -0.393 0.000 0.790 233 A HN 0.316 nan 8.150 nan 0.000 0.472 234 G N -1.027 107.737 108.800 -0.061 0.000 2.255 234 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.239 234 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.239 234 G C 0.140 174.992 174.900 -0.080 0.000 1.083 234 G CA 0.136 45.204 45.100 -0.053 0.000 0.826 234 G HN 1.275 nan 8.290 nan 0.000 0.493 235 V N -0.464 119.382 119.914 -0.114 0.000 3.051 235 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 235 V C 1.192 177.213 176.094 -0.121 0.000 1.083 235 V CA 0.810 63.041 62.300 -0.116 0.000 1.104 235 V CB 1.029 32.778 31.823 -0.124 0.000 1.027 235 V HN 0.371 nan 8.190 nan 0.000 0.483 236 D N 2.467 122.782 120.400 -0.142 0.000 2.338 236 D HA 0.155 4.795 4.640 -0.000 0.000 0.224 236 D C -0.107 176.051 176.300 -0.237 0.000 0.967 236 D CA 1.028 54.923 54.000 -0.175 0.000 0.896 236 D CB 0.975 41.655 40.800 -0.201 0.000 1.028 236 D HN 0.380 nan 8.370 nan 0.000 0.493 237 V N 1.092 120.847 119.914 -0.264 0.000 2.971 237 V HA 0.369 4.489 4.120 -0.000 0.000 0.309 237 V C -0.531 175.471 176.094 -0.153 0.000 1.130 237 V CA -0.993 61.153 62.300 -0.257 0.000 0.964 237 V CB 2.767 34.298 31.823 -0.487 0.000 1.029 237 V HN -0.007 nan 8.190 nan 0.000 0.427 238 V N -0.951 118.911 119.914 -0.088 0.000 2.709 238 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 238 V C -1.122 174.956 176.094 -0.027 0.000 1.062 238 V CA -0.694 61.571 62.300 -0.060 0.000 0.901 238 V CB 2.018 33.804 31.823 -0.062 0.000 1.003 238 V HN 0.749 nan 8.190 nan 0.000 0.425 239 D N 3.435 123.818 120.400 -0.029 0.000 2.256 239 D HA 0.666 5.306 4.640 -0.000 0.000 0.250 239 D C 0.465 176.706 176.300 -0.100 0.000 1.093 239 D CA 0.242 54.216 54.000 -0.043 0.000 0.882 239 D CB 1.970 42.778 40.800 0.013 0.000 1.185 239 D HN 1.053 nan 8.370 nan 0.000 0.437 240 T N -2.204 112.285 114.554 -0.108 0.000 2.841 240 T HA 0.820 5.169 4.350 -0.000 0.000 0.296 240 T C -0.970 173.630 174.700 -0.167 0.000 1.166 240 T CA -1.082 60.957 62.100 -0.102 0.000 1.007 240 T CB 1.823 70.678 68.868 -0.023 0.000 1.253 240 T HN 0.343 nan 8.240 nan 0.000 0.511 241 A N 0.932 123.678 122.820 -0.123 0.000 2.371 241 A HA 0.732 5.052 4.320 -0.000 0.000 0.311 241 A C -0.369 177.176 177.584 -0.064 0.000 1.068 241 A CA -0.855 51.096 52.037 -0.144 0.000 0.744 241 A CB 0.784 19.712 19.000 -0.120 0.000 1.239 241 A HN 0.981 nan 8.150 nan 0.000 0.435 242 I N 2.527 123.061 120.570 -0.059 0.000 2.906 242 I HA -0.115 4.055 4.170 -0.000 0.000 0.302 242 I C 1.951 178.077 176.117 0.015 0.000 1.220 242 I CA 1.447 62.758 61.300 0.018 0.000 1.441 242 I CB 0.531 38.570 38.000 0.064 0.000 1.336 242 I HN 0.906 nan 8.210 nan 0.000 0.565 243 S N 3.729 119.450 115.700 0.035 0.000 2.389 243 S HA -0.292 4.178 4.470 -0.000 0.000 0.231 243 S C 1.716 176.340 174.600 0.040 0.000 1.052 243 S CA 1.610 59.828 58.200 0.031 0.000 1.053 243 S CB -1.158 62.063 63.200 0.035 0.000 0.886 243 S HN 0.881 nan 8.310 nan 0.000 0.456 244 S N 0.383 116.127 115.700 0.072 0.000 2.603 244 S HA 0.237 4.707 4.470 -0.000 0.000 0.229 244 S C 0.814 175.451 174.600 0.062 0.000 0.972 244 S CA 0.255 58.508 58.200 0.088 0.000 0.935 244 S CB -0.388 62.901 63.200 0.148 0.000 0.769 244 S HN 0.483 nan 8.310 nan 0.000 0.536 245 M N 2.229 121.835 119.600 0.010 0.000 3.718 245 M HA 0.339 4.819 4.480 -0.000 0.000 0.421 245 M C -0.375 175.905 176.300 -0.034 0.000 1.795 245 M CA -0.059 55.218 55.300 -0.039 0.000 0.603 245 M CB 0.282 32.789 32.600 -0.155 0.000 1.428 245 M HN 0.435 nan 8.290 nan 0.000 0.514 246 S N -0.689 115.002 115.700 -0.014 0.000 2.806 246 S HA 0.942 5.412 4.470 -0.000 0.000 0.306 246 S C 0.205 174.787 174.600 -0.032 0.000 1.167 246 S CA -0.796 57.392 58.200 -0.019 0.000 0.847 246 S CB 2.138 65.330 63.200 -0.012 0.000 1.216 246 S HN 0.455 nan 8.310 nan 0.000 0.532 247 L N -0.555 120.638 121.223 -0.051 0.000 5.699 247 L HA -0.055 4.284 4.340 -0.000 0.000 0.276 247 L C 1.218 178.047 176.870 -0.067 0.000 1.125 247 L CA 0.626 55.434 54.840 -0.053 0.000 1.287 247 L CB -1.858 40.187 42.059 -0.024 0.000 2.083 247 L HN 1.935 nan 8.230 nan 0.000 0.864 248 G N -0.508 108.265 108.800 -0.045 0.000 2.578 248 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.275 248 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.275 248 G C -2.086 172.775 174.900 -0.066 0.000 1.271 248 G CA 0.339 45.415 45.100 -0.040 0.000 0.941 248 G HN 0.566 nan 8.290 nan 0.000 0.564 249 P HA 0.166 nan 4.420 nan 0.000 0.244 249 P C 1.378 178.606 177.300 -0.121 0.000 1.211 249 P CA 1.456 64.530 63.100 -0.043 0.000 0.760 249 P CB -0.162 31.529 31.700 -0.015 0.000 0.961 250 G N -0.841 107.814 108.800 -0.241 0.000 2.735 250 G HA2 0.192 4.152 3.960 -0.000 0.000 0.192 250 G HA3 0.192 4.152 3.960 -0.000 0.000 0.192 250 G C -0.490 173.838 174.900 -0.952 0.000 1.547 250 G CA -0.039 44.753 45.100 -0.513 0.000 1.080 250 G HN 0.167 nan 8.290 nan 0.000 0.569 251 H N -1.683 117.200 119.070 -0.312 0.000 2.906 251 H HA 0.401 4.957 4.556 -0.000 0.000 0.337 251 H C -0.127 175.093 175.328 -0.180 0.000 1.257 251 H CA -1.012 54.841 56.048 -0.325 0.000 1.192 251 H CB 0.563 30.080 29.762 -0.408 0.000 1.912 251 H HN 0.251 nan 8.280 nan 0.000 0.573 252 N N 1.687 120.374 118.700 -0.021 0.000 2.482 252 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 252 N C -2.495 173.006 175.510 -0.016 0.000 1.236 252 N CA -1.082 51.953 53.050 -0.025 0.000 0.938 252 N CB 0.283 38.753 38.487 -0.029 0.000 1.128 252 N HN 0.309 nan 8.380 nan 0.000 0.448 253 P HA 0.168 nan 4.420 nan 0.000 0.282 253 P C 0.507 177.804 177.300 -0.005 0.000 1.262 253 P CA -0.160 62.937 63.100 -0.006 0.000 0.773 253 P CB 0.550 32.251 31.700 0.001 0.000 0.879 254 T N 2.096 116.650 114.554 -0.000 0.000 2.607 254 T HA -0.225 4.124 4.350 -0.000 0.000 0.267 254 T C 1.286 175.967 174.700 -0.032 0.000 1.049 254 T CA 1.861 63.966 62.100 0.008 0.000 1.162 254 T CB -0.608 68.303 68.868 0.072 0.000 0.863 254 T HN 0.497 nan 8.240 nan 0.000 0.424 255 E N 1.135 121.310 120.200 -0.042 0.000 2.085 255 E HA -0.079 4.270 4.350 -0.000 0.000 0.194 255 E C 2.604 179.199 176.600 -0.007 0.000 0.994 255 E CA 1.293 57.649 56.400 -0.073 0.000 0.801 255 E CB -0.371 29.309 29.700 -0.034 0.000 0.743 255 E HN 0.305 nan 8.360 nan 0.000 0.453 256 S N 0.114 115.819 115.700 0.008 0.000 2.353 256 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 256 S C 2.157 176.771 174.600 0.024 0.000 1.035 256 S CA 1.233 59.446 58.200 0.022 0.000 1.025 256 S CB -0.340 62.868 63.200 0.013 0.000 0.902 256 S HN 0.067 nan 8.310 nan 0.000 0.440 257 V N 1.839 121.758 119.914 0.009 0.000 2.490 257 V HA -0.176 3.943 4.120 -0.000 0.000 0.250 257 V C 2.496 178.603 176.094 0.021 0.000 1.061 257 V CA 1.649 63.954 62.300 0.008 0.000 1.064 257 V CB -1.102 30.717 31.823 -0.006 0.000 0.670 257 V HN 0.547 nan 8.190 nan 0.000 0.461 258 A N -0.874 121.955 122.820 0.014 0.000 2.016 258 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 258 A C 2.204 179.877 177.584 0.148 0.000 1.162 258 A CA 0.972 53.034 52.037 0.042 0.000 0.662 258 A CB -0.214 18.735 19.000 -0.085 0.000 0.812 258 A HN 0.502 nan 8.150 nan 0.000 0.450 259 E N 0.213 120.501 120.200 0.148 0.000 2.112 259 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 259 E C 2.151 178.809 176.600 0.098 0.000 0.979 259 E CA 1.445 57.946 56.400 0.169 0.000 0.814 259 E CB -0.498 29.292 29.700 0.151 0.000 0.762 259 E HN 0.910 nan 8.360 nan 0.000 0.460 260 M N -0.270 119.373 119.600 0.072 0.000 2.267 260 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 260 M C 1.994 178.334 176.300 0.066 0.000 1.063 260 M CA 1.518 56.850 55.300 0.054 0.000 1.090 260 M CB -0.609 32.014 32.600 0.039 0.000 1.392 260 M HN -0.055 nan 8.290 nan 0.000 0.422 261 L N 0.780 122.053 121.223 0.084 0.000 2.275 261 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 261 L C 1.215 178.141 176.870 0.093 0.000 1.119 261 L CA 0.307 55.214 54.840 0.113 0.000 0.790 261 L CB -0.926 41.213 42.059 0.134 0.000 0.919 261 L HN 0.468 nan 8.230 nan 0.000 0.443 262 E N 0.970 121.211 120.200 0.068 0.000 2.820 262 E HA -0.032 4.318 4.350 -0.000 0.000 0.251 262 E C 1.195 177.810 176.600 0.025 0.000 0.944 262 E CA 0.764 57.186 56.400 0.037 0.000 0.955 262 E CB 0.106 29.816 29.700 0.017 0.000 0.904 262 E HN 0.360 nan 8.360 nan 0.000 0.513 263 G N 3.088 111.894 108.800 0.009 0.000 2.179 263 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 263 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 263 G C 0.810 175.700 174.900 -0.017 0.000 0.977 263 G CA 0.829 45.925 45.100 -0.008 0.000 0.641 263 G HN 0.762 nan 8.290 nan 0.000 0.533 264 T N -2.547 112.008 114.554 0.001 0.000 3.081 264 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 264 T C 2.407 176.971 174.700 -0.227 0.000 1.100 264 T CA 1.669 63.760 62.100 -0.015 0.000 1.038 264 T CB 0.410 69.378 68.868 0.166 0.000 0.962 264 T HN 2.175 nan 8.240 nan 0.000 0.516 265 G N 0.302 108.982 108.800 -0.199 0.000 2.213 265 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.236 265 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.236 265 G C -0.101 174.599 174.900 -0.334 0.000 0.991 265 G CA -0.038 44.879 45.100 -0.305 0.000 0.629 265 G HN 0.644 nan 8.290 nan 0.000 0.517 266 Y N 0.281 120.590 120.300 0.015 0.000 2.453 266 Y HA 0.735 5.285 4.550 -0.000 0.000 0.326 266 Y C 0.751 176.664 175.900 0.022 0.000 1.186 266 Y CA 0.052 58.162 58.100 0.018 0.000 1.200 266 Y CB 2.308 40.778 38.460 0.017 0.000 1.247 266 Y HN 0.199 nan 8.280 nan 0.000 0.482 267 T N 0.101 114.773 114.554 0.197 0.000 2.840 267 T HA 0.448 4.797 4.350 -0.000 0.000 0.317 267 T C -1.481 173.282 174.700 0.106 0.000 1.401 267 T CA -0.792 61.384 62.100 0.127 0.000 1.028 267 T CB 1.172 70.093 68.868 0.089 0.000 1.317 267 T HN 0.693 nan 8.240 nan 0.000 0.495 268 T N 1.292 115.903 114.554 0.096 0.000 2.991 268 T HA 0.418 4.768 4.350 -0.000 0.000 0.347 268 T C 0.029 174.767 174.700 0.063 0.000 1.122 268 T CA -0.787 61.352 62.100 0.064 0.000 1.062 268 T CB 0.098 68.988 68.868 0.037 0.000 1.043 268 T HN 0.668 nan 8.240 nan 0.000 0.491 269 N N 4.855 123.588 118.700 0.055 0.000 2.484 269 N HA 0.082 4.821 4.740 -0.000 0.000 0.295 269 N C -0.738 174.771 175.510 -0.002 0.000 1.240 269 N CA 0.025 53.105 53.050 0.049 0.000 1.085 269 N CB 0.043 38.555 38.487 0.042 0.000 1.465 269 N HN 0.612 nan 8.380 nan 0.000 0.496 270 L N 1.577 122.793 121.223 -0.012 0.000 2.386 270 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 270 L C 0.007 176.839 176.870 -0.063 0.000 0.993 270 L CA -1.025 53.723 54.840 -0.153 0.000 0.819 270 L CB 1.994 43.851 42.059 -0.337 0.000 1.294 270 L HN 0.270 nan 8.230 nan 0.000 0.414 271 D N 1.500 121.849 120.400 -0.085 0.000 2.342 271 D HA -0.010 4.630 4.640 -0.000 0.000 0.260 271 D C 0.451 176.764 176.300 0.021 0.000 1.278 271 D CA 0.247 54.260 54.000 0.021 0.000 0.910 271 D CB 0.742 41.535 40.800 -0.012 0.000 1.079 271 D HN 0.320 nan 8.370 nan 0.000 0.496 272 Y N 2.368 122.659 120.300 -0.015 0.000 2.274 272 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 272 Y C 2.098 178.030 175.900 0.054 0.000 1.145 272 Y CA 0.963 59.070 58.100 0.011 0.000 1.203 272 Y CB -0.100 38.366 38.460 0.011 0.000 0.984 272 Y HN 0.446 nan 8.280 nan 0.000 0.533 273 D N -0.848 119.667 120.400 0.193 0.000 2.117 273 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 273 D C 2.219 178.575 176.300 0.095 0.000 0.982 273 D CA 0.844 54.936 54.000 0.155 0.000 0.828 273 D CB 0.185 41.048 40.800 0.105 0.000 0.967 273 D HN -0.069 nan 8.370 nan 0.000 0.464 274 R N 0.155 120.684 120.500 0.049 0.000 2.083 274 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 274 R C 2.485 178.805 176.300 0.034 0.000 1.137 274 R CA 0.710 56.820 56.100 0.017 0.000 0.951 274 R CB -1.102 29.189 30.300 -0.015 0.000 0.851 274 R HN 0.355 nan 8.270 nan 0.000 0.434 275 L N -0.640 120.590 121.223 0.012 0.000 2.079 275 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 275 L C 2.657 179.607 176.870 0.134 0.000 1.081 275 L CA 1.635 56.492 54.840 0.028 0.000 0.752 275 L CB -0.730 41.273 42.059 -0.093 0.000 0.896 275 L HN 0.410 nan 8.230 nan 0.000 0.433 276 H N 0.795 119.886 119.070 0.035 0.000 2.387 276 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 276 H C 2.163 177.530 175.328 0.065 0.000 1.090 276 H CA 1.311 57.393 56.048 0.057 0.000 1.332 276 H CB 0.308 30.107 29.762 0.063 0.000 1.386 276 H HN 0.298 nan 8.280 nan 0.000 0.516 277 K N 0.321 120.719 120.400 -0.004 0.000 2.062 277 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 277 K C 2.278 178.912 176.600 0.056 0.000 1.051 277 K CA 1.304 57.549 56.287 -0.070 0.000 0.941 277 K CB 0.127 32.588 32.500 -0.065 0.000 0.719 277 K HN 0.323 nan 8.250 nan 0.000 0.440 278 I N 1.145 121.779 120.570 0.106 0.000 2.163 278 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 278 I C 2.771 179.063 176.117 0.292 0.000 1.085 278 I CA 1.229 62.640 61.300 0.186 0.000 1.347 278 I CB -0.349 37.782 38.000 0.217 0.000 1.044 278 I HN 0.185 nan 8.210 nan 0.000 0.408 279 R N 1.275 121.925 120.500 0.250 0.000 2.082 279 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 279 R C 1.900 178.339 176.300 0.232 0.000 1.136 279 R CA 2.399 58.649 56.100 0.250 0.000 0.935 279 R CB -0.394 30.033 30.300 0.211 0.000 0.842 279 R HN 0.275 nan 8.270 nan 0.000 0.430 280 D N -0.525 119.998 120.400 0.205 0.000 2.182 280 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 280 D C 1.730 178.073 176.300 0.071 0.000 0.986 280 D CA 1.458 55.539 54.000 0.134 0.000 0.847 280 D CB -0.438 40.413 40.800 0.085 0.000 0.942 280 D HN 0.461 nan 8.370 nan 0.000 0.467 281 H N -0.220 118.834 119.070 -0.027 0.000 2.253 281 H HA -0.140 4.416 4.556 -0.000 0.000 0.296 281 H C 1.806 177.010 175.328 -0.206 0.000 1.067 281 H CA 1.813 57.752 56.048 -0.182 0.000 1.245 281 H CB -0.562 28.990 29.762 -0.349 0.000 1.364 281 H HN 0.075 nan 8.280 nan 0.000 0.494 282 F N 0.507 120.524 119.950 0.112 0.000 2.451 282 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 282 F C 2.560 178.367 175.800 0.013 0.000 1.101 282 F CA 1.012 59.039 58.000 0.046 0.000 1.436 282 F CB -0.096 38.956 39.000 0.087 0.000 1.074 282 F HN 0.205 nan 8.300 nan 0.000 0.553 283 K N 0.698 121.192 120.400 0.156 0.000 2.217 283 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 283 K C 2.085 178.718 176.600 0.055 0.000 1.051 283 K CA 1.054 57.406 56.287 0.109 0.000 0.952 283 K CB -0.105 32.455 32.500 0.099 0.000 0.736 283 K HN 0.219 nan 8.250 nan 0.000 0.453 284 A N 0.416 123.230 122.820 -0.009 0.000 2.030 284 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 284 A C 1.838 179.405 177.584 -0.028 0.000 1.164 284 A CA 0.483 52.497 52.037 -0.037 0.000 0.697 284 A CB -0.078 18.864 19.000 -0.096 0.000 0.827 284 A HN 0.279 nan 8.150 nan 0.000 0.457 285 I N -1.459 119.089 120.570 -0.037 0.000 2.867 285 I HA -0.028 4.142 4.170 -0.000 0.000 0.265 285 I C 2.480 178.723 176.117 0.210 0.000 1.162 285 I CA 0.444 61.775 61.300 0.052 0.000 1.471 285 I CB -0.079 37.908 38.000 -0.022 0.000 1.123 285 I HN 0.303 nan 8.210 nan 0.000 0.440 286 R N 1.405 122.018 120.500 0.189 0.000 2.127 286 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 286 R C -0.688 175.756 176.300 0.239 0.000 1.134 286 R CA 1.537 57.768 56.100 0.218 0.000 0.975 286 R CB -0.892 29.499 30.300 0.152 0.000 0.865 286 R HN 0.219 nan 8.270 nan 0.000 0.447 287 P HA -0.112 nan 4.420 nan 0.000 0.222 287 P C 0.097 177.472 177.300 0.126 0.000 1.147 287 P CA 1.281 64.456 63.100 0.125 0.000 0.790 287 P CB 0.052 31.795 31.700 0.071 0.000 0.780 288 K N -1.810 118.679 120.400 0.148 0.000 2.574 288 K HA -0.071 4.248 4.320 -0.000 0.000 0.193 288 K C 0.290 176.832 176.600 -0.097 0.000 1.035 288 K CA 0.888 57.176 56.287 0.002 0.000 0.982 288 K CB -0.233 32.225 32.500 -0.070 0.000 0.795 288 K HN 0.318 nan 8.250 nan 0.000 0.491 289 Y N 0.735 121.110 120.300 0.125 0.000 2.696 289 Y HA 0.099 4.649 4.550 -0.000 0.000 0.260 289 Y C 1.258 177.254 175.900 0.161 0.000 1.165 289 Y CA -0.617 57.626 58.100 0.237 0.000 1.189 289 Y CB 0.207 38.820 38.460 0.256 0.000 1.180 289 Y HN -0.000 nan 8.280 nan 0.000 0.538 290 K N -0.375 120.104 120.400 0.131 0.000 2.209 290 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 290 K C 1.174 177.739 176.600 -0.058 0.000 1.048 290 K CA 1.085 57.404 56.287 0.054 0.000 0.940 290 K CB -0.026 32.484 32.500 0.018 0.000 0.729 290 K HN -0.047 nan 8.250 nan 0.000 0.451 291 K N 0.475 120.733 120.400 -0.237 0.000 2.574 291 K HA -0.040 4.280 4.320 -0.000 0.000 0.193 291 K C 0.429 176.657 176.600 -0.621 0.000 1.035 291 K CA 0.778 56.783 56.287 -0.470 0.000 0.982 291 K CB -0.099 31.999 32.500 -0.670 0.000 0.795 291 K HN 0.343 nan 8.250 nan 0.000 0.491 292 F N 0.515 120.489 119.950 0.041 0.000 2.781 292 F HA 0.182 4.709 4.527 -0.000 0.000 0.322 292 F C 0.516 176.347 175.800 0.051 0.000 1.108 292 F CA -0.607 57.420 58.000 0.045 0.000 1.179 292 F CB 0.668 39.720 39.000 0.087 0.000 1.072 292 F HN -0.214 nan 8.300 nan 0.000 0.545 293 E N 1.294 121.592 120.200 0.163 0.000 2.313 293 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 293 E C -0.006 176.638 176.600 0.073 0.000 1.038 293 E CA -0.150 56.322 56.400 0.119 0.000 0.863 293 E CB 1.459 31.214 29.700 0.091 0.000 1.060 293 E HN 0.034 nan 8.360 nan 0.000 0.402 294 S N 1.787 117.522 115.700 0.059 0.000 2.592 294 S HA 0.178 4.648 4.470 -0.000 0.000 0.271 294 S C 0.627 175.242 174.600 0.024 0.000 1.326 294 S CA -0.656 57.566 58.200 0.036 0.000 1.024 294 S CB 1.008 64.223 63.200 0.026 0.000 0.921 294 S HN 0.354 nan 8.310 nan 0.000 0.527 295 K N 0.622 121.032 120.400 0.015 0.000 2.437 295 K HA 0.195 4.514 4.320 -0.000 0.000 0.205 295 K C -0.456 176.149 176.600 0.007 0.000 1.026 295 K CA 0.060 56.354 56.287 0.011 0.000 1.153 295 K CB 0.324 32.828 32.500 0.007 0.000 0.863 295 K HN 0.519 nan 8.250 nan 0.000 0.502 296 T N 0.124 114.682 114.554 0.005 0.000 2.893 296 T HA 0.344 4.693 4.350 -0.000 0.000 0.293 296 T C 0.745 175.444 174.700 -0.001 0.000 1.027 296 T CA -0.691 61.410 62.100 0.002 0.000 0.988 296 T CB 2.038 70.905 68.868 -0.002 0.000 1.043 296 T HN -0.054 nan 8.240 nan 0.000 0.461 297 L N 1.060 122.283 121.223 -0.000 0.000 2.388 297 L HA 0.365 4.704 4.340 -0.000 0.000 0.209 297 L C -0.110 176.757 176.870 -0.004 0.000 1.061 297 L CA 0.295 55.133 54.840 -0.003 0.000 0.834 297 L CB 0.509 42.568 42.059 0.001 0.000 1.029 297 L HN 0.363 nan 8.230 nan 0.000 0.473 298 V N -0.562 119.353 119.914 0.002 0.000 2.656 298 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 298 V C -1.352 174.746 176.094 0.007 0.000 1.051 298 V CA -0.662 61.643 62.300 0.008 0.000 0.893 298 V CB 2.400 34.234 31.823 0.019 0.000 0.999 298 V HN 0.010 nan 8.190 nan 0.000 0.426 299 D N 2.176 122.578 120.400 0.004 0.000 2.312 299 D HA 0.160 4.799 4.640 -0.000 0.000 0.229 299 D C 0.522 176.811 176.300 -0.020 0.000 1.337 299 D CA 0.046 54.042 54.000 -0.007 0.000 0.964 299 D CB 1.941 42.724 40.800 -0.028 0.000 1.456 299 D HN 0.718 nan 8.370 nan 0.000 0.547 300 T N -0.843 113.736 114.554 0.042 0.000 3.188 300 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 300 T C 1.491 176.234 174.700 0.071 0.000 1.077 300 T CA 0.074 62.249 62.100 0.126 0.000 0.967 300 T CB 0.184 69.233 68.868 0.302 0.000 1.006 300 T HN 0.050 nan 8.240 nan 0.000 0.552 301 S N 1.423 117.117 115.700 -0.010 0.000 2.382 301 S HA 0.027 4.496 4.470 -0.000 0.000 0.228 301 S C 1.670 176.240 174.600 -0.050 0.000 1.027 301 S CA 0.962 59.159 58.200 -0.005 0.000 0.991 301 S CB -0.479 62.712 63.200 -0.015 0.000 0.823 301 S HN 0.681 nan 8.310 nan 0.000 0.469 302 I N 0.600 121.064 120.570 -0.177 0.000 2.850 302 I HA -0.162 4.008 4.170 -0.000 0.000 0.266 302 I C 1.217 177.226 176.117 -0.180 0.000 1.257 302 I CA 1.136 62.313 61.300 -0.206 0.000 1.465 302 I CB -0.134 37.694 38.000 -0.287 0.000 1.091 302 I HN 0.239 nan 8.210 nan 0.000 0.467 303 F N 0.846 120.806 119.950 0.015 0.000 2.407 303 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 303 F C 2.475 178.284 175.800 0.015 0.000 1.097 303 F CA 0.962 58.973 58.000 0.018 0.000 1.422 303 F CB -0.066 38.947 39.000 0.020 0.000 1.067 303 F HN 0.042 nan 8.300 nan 0.000 0.539 304 K N 0.226 120.724 120.400 0.163 0.000 2.172 304 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 304 K C 2.221 178.858 176.600 0.062 0.000 1.040 304 K CA 1.225 57.573 56.287 0.101 0.000 0.974 304 K CB -0.143 32.404 32.500 0.079 0.000 0.857 304 K HN 0.155 nan 8.250 nan 0.000 0.464 305 S N 0.193 115.915 115.700 0.037 0.000 2.425 305 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 305 S C 0.705 175.315 174.600 0.017 0.000 1.024 305 S CA 0.482 58.694 58.200 0.021 0.000 0.951 305 S CB 0.071 63.274 63.200 0.005 0.000 0.796 305 S HN 0.407 nan 8.310 nan 0.000 0.498 306 Q N -0.310 119.491 119.800 0.002 0.000 2.362 306 Q HA -0.155 4.185 4.340 -0.000 0.000 0.220 306 Q C -0.587 175.403 176.000 -0.018 0.000 0.713 306 Q CA 1.161 56.960 55.803 -0.006 0.000 1.345 306 Q CB -2.076 26.677 28.738 0.027 0.000 1.570 306 Q HN 0.689 nan 8.270 nan 0.000 0.701 307 I N 2.162 122.718 120.570 -0.024 0.000 2.307 307 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 307 I C -2.095 173.995 176.117 -0.046 0.000 1.021 307 I CA -2.024 59.263 61.300 -0.022 0.000 1.224 307 I CB 1.125 39.118 38.000 -0.011 0.000 1.376 307 I HN -0.270 nan 8.210 nan 0.000 0.470 308 P HA 0.006 nan 4.420 nan 0.000 0.265 308 P C 1.124 178.395 177.300 -0.047 0.000 1.193 308 P CA 0.190 63.252 63.100 -0.064 0.000 0.765 308 P CB 0.900 32.568 31.700 -0.054 0.000 0.823 309 G N 3.336 112.104 108.800 -0.053 0.000 2.469 309 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 309 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 309 G C 1.717 176.603 174.900 -0.023 0.000 1.136 309 G CA 0.999 46.078 45.100 -0.035 0.000 0.759 309 G HN 0.617 nan 8.290 nan 0.000 0.562 310 G N 0.616 109.402 108.800 -0.024 0.000 2.459 310 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.217 310 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.217 310 G C 1.782 176.678 174.900 -0.007 0.000 1.183 310 G CA 1.194 46.287 45.100 -0.011 0.000 0.776 310 G HN 0.431 nan 8.290 nan 0.000 0.552 311 M N -0.260 119.334 119.600 -0.011 0.000 2.080 311 M HA -0.056 4.424 4.480 -0.000 0.000 0.260 311 M C 2.416 178.711 176.300 -0.008 0.000 1.068 311 M CA 1.524 56.820 55.300 -0.007 0.000 1.109 311 M CB -0.216 32.380 32.600 -0.008 0.000 1.342 311 M HN 0.256 nan 8.290 nan 0.000 0.405 312 L N 0.592 121.808 121.223 -0.011 0.000 1.951 312 L HA -0.265 4.075 4.340 -0.000 0.000 0.222 312 L C 2.662 179.528 176.870 -0.005 0.000 1.078 312 L CA 2.872 57.706 54.840 -0.009 0.000 0.778 312 L CB -1.203 40.849 42.059 -0.012 0.000 0.893 312 L HN 0.606 nan 8.230 nan 0.000 0.436 313 S N -0.962 114.736 115.700 -0.003 0.000 2.383 313 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 313 S C 1.933 176.535 174.600 0.004 0.000 1.030 313 S CA 1.580 59.781 58.200 0.001 0.000 1.002 313 S CB -1.245 61.957 63.200 0.003 0.000 0.829 313 S HN 0.630 nan 8.310 nan 0.000 0.467 314 N N 0.814 119.517 118.700 0.004 0.000 2.348 314 N HA 0.028 4.768 4.740 -0.000 0.000 0.185 314 N C 1.669 177.179 175.510 0.000 0.000 1.019 314 N CA 1.641 54.694 53.050 0.006 0.000 0.880 314 N CB -0.296 38.194 38.487 0.006 0.000 0.965 314 N HN 0.587 nan 8.380 nan 0.000 0.437 315 M N -1.347 118.251 119.600 -0.004 0.000 2.552 315 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 315 M C 1.863 178.164 176.300 0.001 0.000 1.159 315 M CA 0.408 55.703 55.300 -0.009 0.000 1.176 315 M CB -0.020 32.570 32.600 -0.016 0.000 1.327 315 M HN -0.016 nan 8.290 nan 0.000 0.481 316 E N 1.606 121.808 120.200 0.002 0.000 2.048 316 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 316 E C 1.909 178.515 176.600 0.009 0.000 1.021 316 E CA 2.759 59.162 56.400 0.005 0.000 0.825 316 E CB -0.157 29.545 29.700 0.004 0.000 0.756 316 E HN 0.456 nan 8.360 nan 0.000 0.454 317 S N -0.541 115.166 115.700 0.011 0.000 2.423 317 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 317 S C 2.112 176.724 174.600 0.019 0.000 1.014 317 S CA 1.187 59.396 58.200 0.015 0.000 0.965 317 S CB -0.335 62.874 63.200 0.016 0.000 0.785 317 S HN 0.393 nan 8.310 nan 0.000 0.495 318 Q N 0.729 120.539 119.800 0.017 0.000 2.167 318 Q HA 0.097 4.437 4.340 -0.000 0.000 0.202 318 Q C 1.972 177.991 176.000 0.033 0.000 0.970 318 Q CA 1.256 57.073 55.803 0.024 0.000 0.855 318 Q CB -0.228 28.516 28.738 0.010 0.000 0.911 318 Q HN 0.649 nan 8.270 nan 0.000 0.438 319 L N 0.151 121.389 121.223 0.025 0.000 2.202 319 L HA -0.016 4.323 4.340 -0.000 0.000 0.205 319 L C 2.580 179.464 176.870 0.024 0.000 1.083 319 L CA 0.839 55.695 54.840 0.028 0.000 0.790 319 L CB -0.498 41.573 42.059 0.019 0.000 0.942 319 L HN 0.254 nan 8.230 nan 0.000 0.452 320 R N 1.483 121.995 120.500 0.019 0.000 2.127 320 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 320 R C 2.007 178.319 176.300 0.019 0.000 1.134 320 R CA 1.462 57.572 56.100 0.016 0.000 0.975 320 R CB -0.738 29.570 30.300 0.014 0.000 0.865 320 R HN 0.219 nan 8.270 nan 0.000 0.447 321 A N 0.761 123.596 122.820 0.024 0.000 2.225 321 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 321 A C 1.390 178.990 177.584 0.026 0.000 1.164 321 A CA 1.001 53.054 52.037 0.027 0.000 0.710 321 A CB -0.104 18.916 19.000 0.034 0.000 0.780 321 A HN 0.585 nan 8.150 nan 0.000 0.473 322 Q N -2.302 117.513 119.800 0.026 0.000 2.149 322 Q HA 0.288 4.628 4.340 -0.000 0.000 0.221 322 Q C 1.233 177.243 176.000 0.015 0.000 0.807 322 Q CA 0.226 56.042 55.803 0.022 0.000 1.000 322 Q CB 0.690 29.446 28.738 0.030 0.000 1.157 322 Q HN 0.710 nan 8.270 nan 0.000 0.487 323 G N 1.671 110.480 108.800 0.014 0.000 2.413 323 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.259 323 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.259 323 G C 0.915 175.820 174.900 0.009 0.000 1.003 323 G CA 0.658 45.764 45.100 0.010 0.000 0.629 323 G HN 0.517 nan 8.290 nan 0.000 0.548 324 A N 0.828 123.655 122.820 0.010 0.000 2.310 324 A HA 0.510 4.830 4.320 -0.000 0.000 0.230 324 A C 1.520 179.110 177.584 0.010 0.000 1.294 324 A CA 1.330 53.372 52.037 0.009 0.000 0.898 324 A CB -0.399 18.606 19.000 0.008 0.000 0.917 324 A HN 0.972 nan 8.150 nan 0.000 0.491 325 E N 0.853 121.059 120.200 0.011 0.000 2.495 325 E HA -0.165 4.185 4.350 -0.000 0.000 0.204 325 E C 0.661 177.266 176.600 0.007 0.000 1.163 325 E CA 1.047 57.454 56.400 0.011 0.000 0.922 325 E CB -0.372 29.335 29.700 0.011 0.000 0.918 325 E HN 0.717 nan 8.360 nan 0.000 0.537 326 D N 0.847 121.251 120.400 0.006 0.000 2.360 326 D HA -0.062 4.578 4.640 -0.000 0.000 0.210 326 D C 0.914 177.216 176.300 0.003 0.000 1.047 326 D CA 0.014 54.017 54.000 0.004 0.000 0.854 326 D CB 0.005 40.807 40.800 0.003 0.000 0.936 326 D HN 0.183 nan 8.370 nan 0.000 0.514 327 K N -0.009 120.393 120.400 0.004 0.000 2.458 327 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 327 K C 1.648 178.249 176.600 0.001 0.000 1.024 327 K CA -0.241 56.047 56.287 0.001 0.000 1.108 327 K CB 0.005 32.506 32.500 0.002 0.000 0.846 327 K HN -0.018 nan 8.250 nan 0.000 0.518 328 M N 1.921 121.523 119.600 0.003 0.000 2.116 328 M HA -0.263 4.217 4.480 -0.000 0.000 0.255 328 M C 1.166 177.466 176.300 0.001 0.000 1.075 328 M CA 1.850 57.151 55.300 0.002 0.000 1.087 328 M CB -0.217 32.385 32.600 0.003 0.000 1.340 328 M HN 0.075 nan 8.290 nan 0.000 0.402 329 D N -0.199 120.202 120.400 0.001 0.000 2.178 329 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 329 D C 1.873 178.173 176.300 -0.000 0.000 0.980 329 D CA 1.566 55.568 54.000 0.002 0.000 0.842 329 D CB -0.158 40.643 40.800 0.002 0.000 0.948 329 D HN 0.635 nan 8.370 nan 0.000 0.472 330 E N 0.127 120.325 120.200 -0.003 0.000 2.107 330 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 330 E C 2.326 178.920 176.600 -0.011 0.000 0.982 330 E CA 0.258 56.653 56.400 -0.008 0.000 0.809 330 E CB 0.253 29.947 29.700 -0.010 0.000 0.756 330 E HN 0.066 nan 8.360 nan 0.000 0.459 331 V N 1.716 121.625 119.914 -0.009 0.000 2.343 331 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 331 V C 2.320 178.409 176.094 -0.009 0.000 1.051 331 V CA 1.443 63.735 62.300 -0.013 0.000 1.036 331 V CB -0.354 31.462 31.823 -0.010 0.000 0.654 331 V HN 0.355 nan 8.190 nan 0.000 0.451 332 M N -0.347 119.251 119.600 -0.003 0.000 2.267 332 M HA -0.173 4.306 4.480 -0.000 0.000 0.263 332 M C 2.149 178.454 176.300 0.008 0.000 1.063 332 M CA 2.125 57.428 55.300 0.003 0.000 1.090 332 M CB -0.835 31.768 32.600 0.006 0.000 1.392 332 M HN 0.449 nan 8.290 nan 0.000 0.422 333 A N -0.866 121.957 122.820 0.004 0.000 2.095 333 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 333 A C 1.964 179.550 177.584 0.003 0.000 1.162 333 A CA 0.922 52.964 52.037 0.008 0.000 0.753 333 A CB -0.180 18.822 19.000 0.004 0.000 0.840 333 A HN 0.355 nan 8.150 nan 0.000 0.468 334 E N 0.215 120.409 120.200 -0.011 0.000 2.076 334 E HA -0.064 4.285 4.350 -0.000 0.000 0.190 334 E C 1.792 178.386 176.600 -0.011 0.000 0.979 334 E CA 1.350 57.734 56.400 -0.028 0.000 0.807 334 E CB -0.437 29.232 29.700 -0.052 0.000 0.761 334 E HN 0.182 nan 8.360 nan 0.000 0.454 335 V N 1.719 121.633 119.914 -0.000 0.000 2.222 335 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 335 V C -0.557 175.568 176.094 0.053 0.000 1.060 335 V CA 2.758 65.070 62.300 0.020 0.000 1.027 335 V CB -1.840 29.997 31.823 0.023 0.000 0.644 335 V HN 0.291 nan 8.190 nan 0.000 0.448 336 P HA -0.215 nan 4.420 nan 0.000 0.217 336 P C 1.734 179.100 177.300 0.111 0.000 1.158 336 P CA 1.881 65.051 63.100 0.116 0.000 0.887 336 P CB -0.166 31.595 31.700 0.102 0.000 0.792 337 R N -0.990 119.549 120.500 0.066 0.000 2.092 337 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 337 R C 2.133 178.474 176.300 0.069 0.000 1.119 337 R CA 1.079 57.209 56.100 0.050 0.000 0.970 337 R CB -1.019 29.291 30.300 0.017 0.000 0.864 337 R HN 0.141 nan 8.270 nan 0.000 0.440 338 V N 0.857 120.816 119.914 0.075 0.000 2.379 338 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 338 V C 2.454 178.629 176.094 0.135 0.000 1.044 338 V CA 1.535 63.923 62.300 0.145 0.000 1.036 338 V CB -0.517 31.345 31.823 0.063 0.000 0.664 338 V HN 0.290 nan 8.190 nan 0.000 0.453 339 R N 0.650 121.197 120.500 0.079 0.000 2.070 339 R HA -0.238 4.102 4.340 -0.000 0.000 0.233 339 R C 2.437 178.618 176.300 -0.198 0.000 1.137 339 R CA 2.242 58.372 56.100 0.049 0.000 0.945 339 R CB -0.323 30.065 30.300 0.146 0.000 0.845 339 R HN 0.469 nan 8.270 nan 0.000 0.430 340 K N -0.048 120.115 120.400 -0.394 0.000 2.074 340 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 340 K C 1.896 178.202 176.600 -0.489 0.000 1.048 340 K CA 1.674 57.374 56.287 -0.978 0.000 0.926 340 K CB -0.236 31.956 32.500 -0.514 0.000 0.713 340 K HN 0.297 nan 8.250 nan 0.000 0.444 341 A N 0.666 123.392 122.820 -0.157 0.000 1.972 341 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 341 A C 2.127 179.657 177.584 -0.091 0.000 1.169 341 A CA 1.793 53.806 52.037 -0.040 0.000 0.635 341 A CB -0.564 18.531 19.000 0.158 0.000 0.810 341 A HN 0.485 nan 8.150 nan 0.000 0.446 342 A N -1.954 120.820 122.820 -0.076 0.000 2.251 342 A HA 0.434 4.754 4.320 -0.000 0.000 0.209 342 A C 1.620 179.137 177.584 -0.112 0.000 1.187 342 A CA 1.087 53.066 52.037 -0.097 0.000 0.823 342 A CB -0.817 18.187 19.000 0.007 0.000 0.846 342 A HN 1.883 nan 8.150 nan 0.000 0.486 343 G N -1.671 107.013 108.800 -0.194 0.000 2.132 343 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.228 343 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.228 343 G C 0.282 175.200 174.900 0.029 0.000 1.000 343 G CA -0.327 44.696 45.100 -0.128 0.000 0.693 343 G HN 0.930 nan 8.290 nan 0.000 0.515 344 F N -1.383 118.616 119.950 0.081 0.000 2.685 344 F HA -0.149 4.378 4.527 -0.000 0.000 0.336 344 F C -1.525 174.362 175.800 0.144 0.000 1.061 344 F CA 0.354 58.423 58.000 0.114 0.000 1.118 344 F CB -1.037 38.048 39.000 0.141 0.000 1.436 344 F HN 0.315 nan 8.300 nan 0.000 0.816 345 P HA 0.299 nan 4.420 nan 0.000 0.290 345 P C -2.527 174.845 177.300 0.121 0.000 1.275 345 P CA -1.961 61.244 63.100 0.174 0.000 0.841 345 P CB 1.233 33.009 31.700 0.127 0.000 1.042 346 P HA 0.069 nan 4.420 nan 0.000 0.266 346 P C -0.114 177.208 177.300 0.038 0.000 1.193 346 P CA 0.550 63.652 63.100 0.003 0.000 0.770 346 P CB 0.258 31.967 31.700 0.014 0.000 0.836 347 L N 3.393 124.625 121.223 0.015 0.000 2.422 347 L HA 0.245 4.585 4.340 -0.000 0.000 0.256 347 L C -0.177 176.701 176.870 0.013 0.000 1.202 347 L CA -0.240 54.615 54.840 0.025 0.000 1.119 347 L CB -0.325 41.744 42.059 0.016 0.000 1.383 347 L HN 0.130 nan 8.230 nan 0.000 0.411 348 V N -0.812 119.122 119.914 0.034 0.000 3.141 348 V HA 0.376 4.496 4.120 -0.000 0.000 0.312 348 V C 0.440 176.565 176.094 0.051 0.000 1.157 348 V CA -0.829 61.491 62.300 0.033 0.000 1.041 348 V CB 2.199 34.054 31.823 0.054 0.000 1.071 348 V HN 0.347 nan 8.190 nan 0.000 0.441 349 T N 3.830 118.414 114.554 0.051 0.000 2.902 349 T HA 0.181 4.531 4.350 -0.000 0.000 0.301 349 T C -1.841 172.884 174.700 0.042 0.000 1.012 349 T CA 0.039 62.167 62.100 0.048 0.000 1.151 349 T CB 0.906 69.803 68.868 0.049 0.000 0.946 349 T HN 0.649 nan 8.240 nan 0.000 0.542 350 P HA 0.201 nan 4.420 nan 0.000 0.275 350 P C 1.247 178.592 177.300 0.076 0.000 1.310 350 P CA -0.054 63.064 63.100 0.031 0.000 0.904 350 P CB 0.289 31.988 31.700 -0.003 0.000 1.381 351 S N 0.904 116.656 115.700 0.086 0.000 2.372 351 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 351 S C 2.059 176.716 174.600 0.096 0.000 1.044 351 S CA 2.236 60.506 58.200 0.117 0.000 1.050 351 S CB -1.113 62.152 63.200 0.107 0.000 0.901 351 S HN 0.448 nan 8.310 nan 0.000 0.447 352 S N 2.749 118.488 115.700 0.066 0.000 2.368 352 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 352 S C 2.050 176.672 174.600 0.036 0.000 1.029 352 S CA 1.148 59.375 58.200 0.045 0.000 0.988 352 S CB -0.680 62.535 63.200 0.025 0.000 0.838 352 S HN 0.766 nan 8.310 nan 0.000 0.462 353 Q N 1.117 120.940 119.800 0.038 0.000 2.123 353 Q HA 0.047 4.387 4.340 -0.000 0.000 0.199 353 Q C 2.319 178.332 176.000 0.022 0.000 0.966 353 Q CA 1.115 56.932 55.803 0.024 0.000 0.845 353 Q CB -0.637 28.118 28.738 0.029 0.000 0.907 353 Q HN 0.579 nan 8.270 nan 0.000 0.439 354 I N 1.292 121.902 120.570 0.066 0.000 2.090 354 I HA -0.251 3.919 4.170 -0.000 0.000 0.236 354 I C 2.461 178.624 176.117 0.076 0.000 1.064 354 I CA 1.069 62.427 61.300 0.096 0.000 1.324 354 I CB -0.416 37.698 38.000 0.191 0.000 1.044 354 I HN 0.001 nan 8.210 nan 0.000 0.399 355 V N 1.338 121.323 119.914 0.119 0.000 2.453 355 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 355 V C 2.490 178.575 176.094 -0.015 0.000 1.068 355 V CA 2.197 64.554 62.300 0.095 0.000 1.070 355 V CB -1.520 30.372 31.823 0.116 0.000 0.664 355 V HN 0.640 nan 8.190 nan 0.000 0.461 356 G N -0.533 108.255 108.800 -0.020 0.000 2.484 356 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 356 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 356 G C 1.667 176.492 174.900 -0.126 0.000 1.219 356 G CA 1.494 46.562 45.100 -0.053 0.000 0.791 356 G HN 0.439 nan 8.290 nan 0.000 0.550 357 T N 0.721 115.170 114.554 -0.175 0.000 2.597 357 T HA -0.242 4.107 4.350 -0.000 0.000 0.267 357 T C 2.354 176.735 174.700 -0.532 0.000 1.053 357 T CA 1.949 63.837 62.100 -0.354 0.000 1.165 357 T CB -0.352 68.281 68.868 -0.391 0.000 0.863 357 T HN 0.313 nan 8.240 nan 0.000 0.427 358 Q N 1.329 120.857 119.800 -0.454 0.000 2.112 358 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 358 Q C 2.248 178.075 176.000 -0.288 0.000 0.987 358 Q CA 2.077 57.601 55.803 -0.464 0.000 0.858 358 Q CB -0.866 27.472 28.738 -0.667 0.000 0.905 358 Q HN 0.556 nan 8.270 nan 0.000 0.420 359 A N -0.920 121.772 122.820 -0.214 0.000 1.972 359 A HA -0.094 4.225 4.320 -0.000 0.000 0.219 359 A C 2.257 179.791 177.584 -0.083 0.000 1.169 359 A CA 1.474 53.435 52.037 -0.126 0.000 0.635 359 A CB -0.566 18.386 19.000 -0.079 0.000 0.810 359 A HN 0.271 nan 8.150 nan 0.000 0.446 360 V N -1.005 118.852 119.914 -0.094 0.000 2.283 360 V HA -0.212 3.908 4.120 -0.000 0.000 0.243 360 V C 2.277 178.455 176.094 0.140 0.000 1.039 360 V CA 1.772 64.071 62.300 -0.002 0.000 1.016 360 V CB -0.942 30.871 31.823 -0.016 0.000 0.650 360 V HN 0.666 nan 8.190 nan 0.000 0.449 361 F N 0.458 120.370 119.950 -0.064 0.000 2.091 361 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 361 F C 2.542 178.293 175.800 -0.081 0.000 1.103 361 F CA 1.549 59.513 58.000 -0.060 0.000 1.228 361 F CB -0.401 38.565 39.000 -0.056 0.000 0.984 361 F HN 0.272 nan 8.300 nan 0.000 0.477 362 N N 0.502 119.252 118.700 0.083 0.000 2.069 362 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 362 N C 1.556 177.033 175.510 -0.055 0.000 1.031 362 N CA 1.107 54.117 53.050 -0.066 0.000 0.852 362 N CB -0.755 37.609 38.487 -0.205 0.000 1.018 362 N HN -0.000 nan 8.380 nan 0.000 0.423 363 V N 0.622 120.518 119.914 -0.030 0.000 3.444 363 V HA -0.024 4.096 4.120 -0.000 0.000 0.271 363 V C 1.641 177.733 176.094 -0.003 0.000 1.188 363 V CA 0.920 63.206 62.300 -0.024 0.000 1.168 363 V CB -0.405 31.408 31.823 -0.016 0.000 0.810 363 V HN 0.290 nan 8.190 nan 0.000 0.500 364 M N -1.412 118.198 119.600 0.017 0.000 3.101 364 M HA 0.281 4.761 4.480 -0.000 0.000 0.236 364 M C 1.347 177.635 176.300 -0.019 0.000 1.538 364 M CA 1.155 56.463 55.300 0.012 0.000 1.309 364 M CB -0.089 32.540 32.600 0.048 0.000 1.141 364 M HN 0.226 nan 8.290 nan 0.000 0.579 365 M N 0.883 120.465 119.600 -0.030 0.000 2.637 365 M HA 0.377 4.857 4.480 -0.000 0.000 0.286 365 M C 0.199 176.473 176.300 -0.044 0.000 1.246 365 M CA -0.262 55.003 55.300 -0.060 0.000 0.978 365 M CB 0.161 32.689 32.600 -0.119 0.000 1.417 365 M HN 0.428 nan 8.290 nan 0.000 0.487 366 G N 1.509 110.282 108.800 -0.045 0.000 2.722 366 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 366 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 366 G C -0.592 174.252 174.900 -0.093 0.000 1.282 366 G CA -0.914 44.151 45.100 -0.059 0.000 0.817 366 G HN 0.565 nan 8.290 nan 0.000 0.605 367 E N 1.010 121.114 120.200 -0.159 0.000 2.562 367 E HA 0.255 4.605 4.350 -0.000 0.000 0.241 367 E C 0.755 177.198 176.600 -0.261 0.000 1.136 367 E CA 0.782 56.968 56.400 -0.357 0.000 0.952 367 E CB -0.876 28.614 29.700 -0.351 0.000 0.975 367 E HN 0.950 nan 8.360 nan 0.000 0.494 368 Y N 1.450 121.744 120.300 -0.011 0.000 4.177 368 Y HA -0.370 4.179 4.550 -0.000 0.000 0.227 368 Y C 1.466 177.378 175.900 0.020 0.000 1.154 368 Y CA 0.682 58.787 58.100 0.009 0.000 1.887 368 Y CB -1.211 37.272 38.460 0.039 0.000 1.594 368 Y HN 0.577 nan 8.280 nan 0.000 0.668 369 K N 1.369 121.829 120.400 0.100 0.000 2.439 369 K HA 0.012 4.331 4.320 -0.000 0.000 0.197 369 K C 0.780 177.409 176.600 0.049 0.000 1.041 369 K CA 0.877 57.198 56.287 0.056 0.000 0.970 369 K CB 0.285 32.787 32.500 0.004 0.000 0.773 369 K HN 0.409 nan 8.250 nan 0.000 0.479 370 R N 0.205 120.752 120.500 0.078 0.000 2.561 370 R HA 0.277 4.617 4.340 -0.000 0.000 0.266 370 R C -1.721 174.698 176.300 0.198 0.000 1.091 370 R CA -0.487 55.653 56.100 0.067 0.000 0.927 370 R CB 1.133 31.385 30.300 -0.080 0.000 1.240 370 R HN -0.005 nan 8.270 nan 0.000 0.449 371 M N 1.932 121.662 119.600 0.217 0.000 2.591 371 M HA 0.338 4.818 4.480 -0.000 0.000 0.306 371 M C 0.079 176.553 176.300 0.290 0.000 1.190 371 M CA -0.956 54.519 55.300 0.292 0.000 0.889 371 M CB 2.517 35.306 32.600 0.315 0.000 1.728 371 M HN 0.776 nan 8.290 nan 0.000 0.458 372 T N -1.301 113.428 114.554 0.292 0.000 2.816 372 T HA 0.364 4.714 4.350 -0.000 0.000 0.282 372 T C 1.199 175.988 174.700 0.147 0.000 0.993 372 T CA -0.187 62.047 62.100 0.224 0.000 0.994 372 T CB 1.076 70.025 68.868 0.136 0.000 1.025 372 T HN 0.815 nan 8.240 nan 0.000 0.529 373 G N 0.551 109.406 108.800 0.092 0.000 2.440 373 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 373 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 373 G C 1.222 176.114 174.900 -0.013 0.000 1.154 373 G CA 0.840 45.955 45.100 0.024 0.000 0.767 373 G HN 0.782 nan 8.290 nan 0.000 0.552 374 E N 0.112 120.333 120.200 0.035 0.000 2.007 374 E HA -0.073 4.276 4.350 -0.000 0.000 0.194 374 E C 1.970 178.527 176.600 -0.072 0.000 0.999 374 E CA 0.766 57.173 56.400 0.012 0.000 0.811 374 E CB -0.747 29.041 29.700 0.147 0.000 0.762 374 E HN 0.321 nan 8.360 nan 0.000 0.450 375 F N 1.309 121.216 119.950 -0.072 0.000 2.085 375 F HA -0.322 4.205 4.527 -0.001 0.000 0.299 375 F C 2.142 177.861 175.800 -0.135 0.000 1.096 375 F CA 1.834 59.782 58.000 -0.088 0.000 1.227 375 F CB -0.671 38.302 39.000 -0.045 0.000 0.983 375 F HN 0.041 nan 8.300 nan 0.000 0.482 376 A N -0.345 122.416 122.820 -0.097 0.000 1.902 376 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 376 A C 1.879 179.289 177.584 -0.290 0.000 1.181 376 A CA 2.095 54.019 52.037 -0.189 0.000 0.623 376 A CB -1.102 17.860 19.000 -0.064 0.000 0.818 376 A HN 0.459 nan 8.150 nan 0.000 0.443 377 D N -0.739 119.471 120.400 -0.317 0.000 2.219 377 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 377 D C 1.659 177.653 176.300 -0.509 0.000 0.970 377 D CA 0.681 54.456 54.000 -0.374 0.000 0.851 377 D CB -0.130 40.386 40.800 -0.473 0.000 0.943 377 D HN 0.522 nan 8.370 nan 0.000 0.488 378 I N -0.131 120.053 120.570 -0.645 0.000 2.406 378 I HA -0.178 3.992 4.170 -0.000 0.000 0.249 378 I C 1.620 177.478 176.117 -0.432 0.000 1.122 378 I CA 0.708 61.661 61.300 -0.578 0.000 1.431 378 I CB 0.141 37.880 38.000 -0.435 0.000 1.087 378 I HN -0.061 nan 8.210 nan 0.000 0.424 379 M N 0.236 119.509 119.600 -0.545 0.000 2.229 379 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 379 M C 2.125 178.264 176.300 -0.269 0.000 1.063 379 M CA 1.515 56.543 55.300 -0.453 0.000 1.114 379 M CB -0.853 31.406 32.600 -0.569 0.000 1.387 379 M HN 0.273 nan 8.290 nan 0.000 0.420 380 L N -0.518 120.583 121.223 -0.203 0.000 2.554 380 L HA 0.130 4.470 4.340 -0.000 0.000 0.226 380 L C 1.248 178.033 176.870 -0.142 0.000 1.137 380 L CA 0.374 55.166 54.840 -0.080 0.000 0.863 380 L CB -0.691 41.430 42.059 0.104 0.000 0.985 380 L HN 0.579 nan 8.230 nan 0.000 0.451 381 G N -0.905 107.781 108.800 -0.190 0.000 2.149 381 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.235 381 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.235 381 G C 0.200 174.912 174.900 -0.314 0.000 1.018 381 G CA -0.136 44.822 45.100 -0.236 0.000 0.728 381 G HN 0.359 nan 8.290 nan 0.000 0.508 382 Y N -0.750 119.392 120.300 -0.263 0.000 2.502 382 Y HA 0.310 4.860 4.550 -0.000 0.000 0.295 382 Y C 2.037 177.880 175.900 -0.095 0.000 1.193 382 Y CA 0.716 58.678 58.100 -0.231 0.000 1.295 382 Y CB 0.020 38.322 38.460 -0.263 0.000 1.059 382 Y HN 0.604 nan 8.280 nan 0.000 0.514 383 Y N -1.418 118.817 120.300 -0.108 0.000 2.444 383 Y HA 0.436 4.986 4.550 -0.000 0.000 0.252 383 Y C 1.422 177.320 175.900 -0.005 0.000 1.091 383 Y CA -0.112 57.953 58.100 -0.058 0.000 1.276 383 Y CB 1.100 39.556 38.460 -0.007 0.000 1.170 383 Y HN 0.044 nan 8.280 nan 0.000 0.517 384 G N 0.705 109.552 108.800 0.079 0.000 2.315 384 G HA2 0.225 4.185 3.960 -0.000 0.000 0.296 384 G HA3 0.225 4.185 3.960 -0.000 0.000 0.296 384 G C -1.679 173.215 174.900 -0.010 0.000 1.289 384 G CA -0.641 44.478 45.100 0.031 0.000 0.996 384 G HN 0.212 nan 8.290 nan 0.000 0.487 385 A N -0.233 122.583 122.820 -0.007 0.000 2.331 385 A HA 0.795 5.115 4.320 -0.000 0.000 0.283 385 A C 0.733 178.323 177.584 0.009 0.000 1.142 385 A CA 0.710 52.737 52.037 -0.018 0.000 0.812 385 A CB 0.548 19.536 19.000 -0.020 0.000 1.074 385 A HN 1.688 nan 8.150 nan 0.000 0.497 386 S N 2.614 118.315 115.700 0.000 0.000 2.617 386 S HA 0.327 4.797 4.470 -0.000 0.000 0.269 386 S C -1.689 172.938 174.600 0.044 0.000 1.292 386 S CA -0.749 57.470 58.200 0.032 0.000 1.010 386 S CB 0.712 63.917 63.200 0.007 0.000 0.944 386 S HN 0.596 nan 8.310 nan 0.000 0.536 387 P HA 0.037 nan 4.420 nan 0.000 0.219 387 P C -0.030 177.263 177.300 -0.011 0.000 1.146 387 P CA 0.981 64.103 63.100 0.038 0.000 0.808 387 P CB 0.205 31.979 31.700 0.124 0.000 0.779 388 A N -1.445 121.407 122.820 0.054 0.000 2.475 388 A HA 0.475 4.795 4.320 -0.000 0.000 0.281 388 A C -0.955 176.635 177.584 0.010 0.000 1.263 388 A CA -0.663 51.404 52.037 0.050 0.000 0.776 388 A CB 0.546 19.650 19.000 0.173 0.000 1.347 388 A HN -0.223 nan 8.150 nan 0.000 0.443 389 D N 0.955 121.355 120.400 -0.002 0.000 2.302 389 D HA 0.338 4.977 4.640 -0.000 0.000 0.248 389 D C -0.213 176.050 176.300 -0.061 0.000 1.094 389 D CA 0.210 54.191 54.000 -0.031 0.000 0.897 389 D CB 0.787 41.572 40.800 -0.025 0.000 1.200 389 D HN 0.353 nan 8.370 nan 0.000 0.429 390 R N 1.121 121.573 120.500 -0.080 0.000 2.410 390 R HA 0.089 4.428 4.340 -0.000 0.000 0.288 390 R C 0.024 176.269 176.300 -0.091 0.000 1.051 390 R CA -0.717 55.317 56.100 -0.109 0.000 1.021 390 R CB 0.715 30.933 30.300 -0.136 0.000 1.032 390 R HN 0.316 nan 8.270 nan 0.000 0.481 391 D N 4.051 124.398 120.400 -0.087 0.000 2.518 391 D HA -0.040 4.600 4.640 -0.000 0.000 0.270 391 D C -1.471 174.794 176.300 -0.057 0.000 1.338 391 D CA -1.281 52.687 54.000 -0.053 0.000 0.983 391 D CB 0.810 41.596 40.800 -0.023 0.000 1.126 391 D HN 0.255 nan 8.370 nan 0.000 0.543 392 P HA -0.220 nan 4.420 nan 0.000 0.217 392 P C 1.284 178.561 177.300 -0.038 0.000 1.148 392 P CA 1.230 64.302 63.100 -0.045 0.000 0.834 392 P CB 0.289 31.970 31.700 -0.031 0.000 0.783 393 K N -0.439 119.949 120.400 -0.020 0.000 1.987 393 K HA -0.103 4.216 4.320 -0.000 0.000 0.216 393 K C 2.040 178.627 176.600 -0.021 0.000 1.051 393 K CA 1.422 57.708 56.287 -0.002 0.000 0.942 393 K CB -1.717 30.801 32.500 0.031 0.000 0.722 393 K HN 0.126 nan 8.250 nan 0.000 0.444 394 V N 1.735 121.618 119.914 -0.052 0.000 2.343 394 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 394 V C 2.663 178.669 176.094 -0.148 0.000 1.051 394 V CA 1.409 63.620 62.300 -0.149 0.000 1.036 394 V CB -0.733 30.904 31.823 -0.310 0.000 0.654 394 V HN -0.029 nan 8.190 nan 0.000 0.451 395 V N 0.398 120.232 119.914 -0.133 0.000 2.252 395 V HA -0.385 3.735 4.120 -0.000 0.000 0.249 395 V C 2.481 178.520 176.094 -0.091 0.000 1.056 395 V CA 2.680 64.902 62.300 -0.131 0.000 1.022 395 V CB -0.837 30.921 31.823 -0.110 0.000 0.641 395 V HN 0.604 nan 8.190 nan 0.000 0.445 396 K N -0.210 120.153 120.400 -0.063 0.000 2.020 396 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 396 K C 2.246 178.825 176.600 -0.034 0.000 1.050 396 K CA 1.916 58.179 56.287 -0.040 0.000 0.929 396 K CB -0.325 32.160 32.500 -0.025 0.000 0.714 396 K HN 0.389 nan 8.250 nan 0.000 0.443 397 L N 0.421 121.626 121.223 -0.031 0.000 2.042 397 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 397 L C 2.576 179.435 176.870 -0.019 0.000 1.076 397 L CA 1.337 56.170 54.840 -0.011 0.000 0.749 397 L CB -0.556 41.508 42.059 0.008 0.000 0.893 397 L HN 0.413 nan 8.230 nan 0.000 0.432 398 A N -0.068 122.721 122.820 -0.052 0.000 1.842 398 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 398 A C 2.154 179.713 177.584 -0.043 0.000 1.206 398 A CA 2.099 54.103 52.037 -0.055 0.000 0.630 398 A CB -0.911 18.014 19.000 -0.125 0.000 0.839 398 A HN 0.517 nan 8.150 nan 0.000 0.447 399 E N -0.198 119.973 120.200 -0.048 0.000 2.147 399 E HA -0.284 4.065 4.350 -0.000 0.000 0.199 399 E C 1.874 178.459 176.600 -0.024 0.000 1.005 399 E CA 1.774 58.154 56.400 -0.034 0.000 0.810 399 E CB -0.167 29.516 29.700 -0.029 0.000 0.736 399 E HN 0.784 nan 8.360 nan 0.000 0.460 400 E N -0.177 120.012 120.200 -0.018 0.000 2.072 400 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 400 E C 2.210 178.806 176.600 -0.005 0.000 0.982 400 E CA 0.636 57.030 56.400 -0.010 0.000 0.803 400 E CB -0.095 29.603 29.700 -0.003 0.000 0.755 400 E HN 0.253 nan 8.360 nan 0.000 0.453 401 Q N 1.071 120.870 119.800 -0.000 0.000 2.016 401 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 401 Q C 2.347 178.345 176.000 -0.003 0.000 0.978 401 Q CA 2.105 57.913 55.803 0.009 0.000 0.833 401 Q CB -0.048 28.708 28.738 0.030 0.000 0.895 401 Q HN 0.260 nan 8.270 nan 0.000 0.427 402 S N -1.500 114.191 115.700 -0.015 0.000 2.325 402 S HA 0.100 4.570 4.470 -0.000 0.000 0.213 402 S C 1.549 176.127 174.600 -0.037 0.000 1.031 402 S CA 1.420 59.601 58.200 -0.033 0.000 0.984 402 S CB -0.285 62.878 63.200 -0.062 0.000 0.939 402 S HN 0.620 nan 8.310 nan 0.000 0.438 403 G N 0.490 109.265 108.800 -0.041 0.000 2.273 403 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.162 403 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.162 403 G C -0.124 174.751 174.900 -0.041 0.000 1.006 403 G CA -0.286 44.793 45.100 -0.035 0.000 0.704 403 G HN 0.558 nan 8.290 nan 0.000 0.487 404 K N 0.976 121.340 120.400 -0.060 0.000 2.126 404 K HA 0.435 4.755 4.320 -0.000 0.000 0.257 404 K C 0.515 177.121 176.600 0.010 0.000 1.007 404 K CA -0.329 55.922 56.287 -0.059 0.000 0.928 404 K CB 0.728 33.130 32.500 -0.162 0.000 1.013 404 K HN 0.395 nan 8.250 nan 0.000 0.473 405 K N 1.304 121.743 120.400 0.066 0.000 2.276 405 K HA 0.269 4.588 4.320 -0.000 0.000 0.283 405 K C -2.686 173.984 176.600 0.117 0.000 1.044 405 K CA -1.862 54.470 56.287 0.076 0.000 0.944 405 K CB 0.447 32.989 32.500 0.070 0.000 1.012 405 K HN 0.120 nan 8.250 nan 0.000 0.472 406 P HA 0.165 nan 4.420 nan 0.000 0.282 406 P C -0.642 176.589 177.300 -0.115 0.000 1.274 406 P CA -0.370 62.710 63.100 -0.034 0.000 0.770 406 P CB 0.529 32.199 31.700 -0.049 0.000 0.867 407 I N -0.141 120.276 120.570 -0.254 0.000 3.067 407 I HA 0.723 4.892 4.170 -0.000 0.000 0.312 407 I C 0.270 176.230 176.117 -0.262 0.000 1.073 407 I CA -0.716 60.407 61.300 -0.294 0.000 1.016 407 I CB 2.642 40.360 38.000 -0.470 0.000 1.227 407 I HN 0.222 nan 8.210 nan 0.000 0.456 408 T N -1.726 112.709 114.554 -0.199 0.000 3.186 408 T HA 0.232 4.582 4.350 -0.000 0.000 0.292 408 T C 0.218 174.842 174.700 -0.125 0.000 0.915 408 T CA -0.215 61.795 62.100 -0.151 0.000 0.902 408 T CB -0.102 68.702 68.868 -0.107 0.000 1.192 408 T HN 0.698 nan 8.240 nan 0.000 0.563 409 Q N 2.114 121.831 119.800 -0.138 0.000 2.193 409 Q HA 0.484 4.824 4.340 -0.000 0.000 0.246 409 Q C 0.015 175.954 176.000 -0.103 0.000 0.959 409 Q CA -0.965 54.778 55.803 -0.100 0.000 0.904 409 Q CB 1.131 29.818 28.738 -0.087 0.000 1.238 409 Q HN 0.313 nan 8.270 nan 0.000 0.469 410 R N 2.863 123.326 120.500 -0.061 0.000 2.614 410 R HA -0.069 4.271 4.340 -0.000 0.000 0.335 410 R C -1.692 174.573 176.300 -0.057 0.000 0.859 410 R CA -0.564 55.516 56.100 -0.035 0.000 1.123 410 R CB 0.097 30.390 30.300 -0.011 0.000 0.887 410 R HN 0.533 nan 8.270 nan 0.000 0.407 411 P HA -0.165 nan 4.420 nan 0.000 0.227 411 P C 0.145 177.401 177.300 -0.075 0.000 1.145 411 P CA 1.358 64.365 63.100 -0.155 0.000 0.769 411 P CB 0.288 31.799 31.700 -0.316 0.000 0.769 412 A N -1.161 121.666 122.820 0.013 0.000 2.195 412 A HA -0.021 4.299 4.320 -0.000 0.000 0.210 412 A C 1.668 179.240 177.584 -0.019 0.000 1.165 412 A CA 0.705 52.757 52.037 0.025 0.000 0.806 412 A CB -0.616 18.417 19.000 0.055 0.000 0.847 412 A HN 0.025 nan 8.150 nan 0.000 0.482 413 D N 0.542 120.923 120.400 -0.033 0.000 2.144 413 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 413 D C 1.464 177.745 176.300 -0.033 0.000 0.984 413 D CA 1.376 55.353 54.000 -0.039 0.000 0.834 413 D CB -0.236 40.538 40.800 -0.044 0.000 0.955 413 D HN 0.605 nan 8.370 nan 0.000 0.465 414 L N -1.324 119.879 121.223 -0.034 0.000 2.928 414 L HA 0.370 4.710 4.340 -0.000 0.000 0.236 414 L C -0.429 176.437 176.870 -0.007 0.000 1.290 414 L CA -0.216 54.612 54.840 -0.019 0.000 1.099 414 L CB -0.237 41.811 42.059 -0.018 0.000 1.437 414 L HN -0.174 nan 8.230 nan 0.000 0.493 415 L N 2.282 123.500 121.223 -0.007 0.000 2.341 415 L HA 0.628 4.968 4.340 -0.000 0.000 0.278 415 L C -2.022 174.857 176.870 0.014 0.000 1.005 415 L CA -1.739 53.102 54.840 0.003 0.000 0.818 415 L CB 2.501 44.563 42.059 0.005 0.000 1.259 415 L HN 0.099 nan 8.230 nan 0.000 0.418 416 P HA 0.309 nan 4.420 nan 0.000 0.276 416 P C -2.740 174.596 177.300 0.059 0.000 1.244 416 P CA -1.749 61.372 63.100 0.035 0.000 0.801 416 P CB 0.266 31.986 31.700 0.034 0.000 1.006 417 P HA 0.071 nan 4.420 nan 0.000 0.267 417 P C 0.362 177.739 177.300 0.128 0.000 1.205 417 P CA 0.415 63.575 63.100 0.101 0.000 0.765 417 P CB 0.198 31.953 31.700 0.092 0.000 0.828 418 E N 2.259 122.568 120.200 0.182 0.000 2.676 418 E HA 0.017 4.367 4.350 -0.000 0.000 0.225 418 E C 1.102 177.838 176.600 0.227 0.000 0.944 418 E CA -0.487 56.020 56.400 0.178 0.000 1.156 418 E CB -0.452 29.354 29.700 0.177 0.000 1.117 418 E HN 0.472 nan 8.360 nan 0.000 0.523 419 W N 2.557 123.909 121.300 0.087 0.000 2.289 419 W HA -0.262 4.398 4.660 -0.000 0.000 0.328 419 W C 1.586 178.161 176.519 0.093 0.000 1.241 419 W CA 2.356 59.758 57.345 0.094 0.000 1.221 419 W CB -0.183 29.326 29.460 0.082 0.000 1.175 419 W HN 0.132 nan 8.180 nan 0.000 0.457 420 E N 0.588 120.842 120.200 0.090 0.000 2.095 420 E HA -0.340 4.010 4.350 -0.000 0.000 0.212 420 E C 2.163 178.691 176.600 -0.121 0.000 1.044 420 E CA 2.780 59.148 56.400 -0.054 0.000 0.857 420 E CB -0.776 28.969 29.700 0.076 0.000 0.764 420 E HN 0.242 nan 8.360 nan 0.000 0.462 421 K N -0.365 120.018 120.400 -0.029 0.000 2.059 421 K HA -0.270 4.050 4.320 -0.000 0.000 0.212 421 K C 2.155 178.733 176.600 -0.038 0.000 1.050 421 K CA 1.797 58.075 56.287 -0.014 0.000 0.927 421 K CB -0.053 32.469 32.500 0.037 0.000 0.714 421 K HN 0.135 nan 8.250 nan 0.000 0.447 422 Q N 0.235 119.994 119.800 -0.069 0.000 2.050 422 Q HA -0.115 4.224 4.340 -0.000 0.000 0.202 422 Q C 2.378 178.266 176.000 -0.186 0.000 0.980 422 Q CA 1.512 57.295 55.803 -0.033 0.000 0.840 422 Q CB -0.387 28.301 28.738 -0.084 0.000 0.898 422 Q HN 0.287 nan 8.270 nan 0.000 0.424 423 S N 1.045 116.460 115.700 -0.475 0.000 2.365 423 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 423 S C 1.871 176.276 174.600 -0.325 0.000 1.039 423 S CA 1.685 59.611 58.200 -0.457 0.000 1.033 423 S CB -0.190 62.710 63.200 -0.501 0.000 0.887 423 S HN 0.344 nan 8.310 nan 0.000 0.447 424 K N 1.013 121.272 120.400 -0.234 0.000 2.001 424 K HA -0.205 4.114 4.320 -0.000 0.000 0.214 424 K C 1.950 178.401 176.600 -0.248 0.000 1.050 424 K CA 1.909 58.083 56.287 -0.188 0.000 0.934 424 K CB -0.229 32.205 32.500 -0.110 0.000 0.718 424 K HN 0.412 nan 8.250 nan 0.000 0.443 425 E N -0.274 119.796 120.200 -0.217 0.000 2.106 425 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 425 E C 1.922 178.148 176.600 -0.624 0.000 0.984 425 E CA 0.943 57.173 56.400 -0.283 0.000 0.806 425 E CB -0.088 29.579 29.700 -0.055 0.000 0.750 425 E HN 0.472 nan 8.360 nan 0.000 0.458 426 A N 1.342 123.724 122.820 -0.731 0.000 2.014 426 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 426 A C 2.140 178.881 177.584 -1.405 0.000 1.163 426 A CA 1.027 52.461 52.037 -1.005 0.000 0.652 426 A CB -0.154 18.475 19.000 -0.618 0.000 0.808 426 A HN 0.219 nan 8.150 nan 0.000 0.449 427 A N 0.046 122.222 122.820 -1.074 0.000 2.346 427 A HA 0.329 4.649 4.320 -0.000 0.000 0.242 427 A C 1.373 178.673 177.584 -0.473 0.000 1.323 427 A CA 1.227 52.741 52.037 -0.872 0.000 0.940 427 A CB -0.968 17.775 19.000 -0.429 0.000 0.943 427 A HN 0.722 nan 8.150 nan 0.000 0.501 428 T N -3.816 110.458 114.554 -0.467 0.000 3.192 428 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 428 T C -0.017 174.555 174.700 -0.212 0.000 0.947 428 T CA -0.213 61.728 62.100 -0.265 0.000 0.916 428 T CB -0.489 68.249 68.868 -0.217 0.000 1.169 428 T HN 0.129 nan 8.240 nan 0.000 0.540 429 L N 2.510 123.579 121.223 -0.257 0.000 2.264 429 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 429 L C 0.355 177.201 176.870 -0.040 0.000 1.044 429 L CA -1.079 53.702 54.840 -0.098 0.000 0.807 429 L CB 1.474 43.540 42.059 0.010 0.000 1.192 429 L HN 0.159 nan 8.230 nan 0.000 0.425 430 K N 2.447 122.842 120.400 -0.010 0.000 2.484 430 K HA 0.169 4.489 4.320 -0.000 0.000 0.280 430 K C 1.024 177.626 176.600 0.002 0.000 1.013 430 K CA 1.141 57.420 56.287 -0.014 0.000 1.029 430 K CB 0.314 32.803 32.500 -0.019 0.000 0.902 430 K HN 0.842 nan 8.250 nan 0.000 0.481 431 G N 4.030 112.805 108.800 -0.041 0.000 2.254 431 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.225 431 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.225 431 G C 0.125 174.891 174.900 -0.224 0.000 1.003 431 G CA -0.073 44.982 45.100 -0.075 0.000 0.622 431 G HN 0.685 nan 8.290 nan 0.000 0.507 432 F N 2.829 122.461 119.950 -0.530 0.000 2.646 432 F HA 0.293 4.819 4.527 -0.000 0.000 0.363 432 F C 1.449 176.990 175.800 -0.431 0.000 1.143 432 F CA 1.211 58.735 58.000 -0.794 0.000 1.356 432 F CB 0.663 39.313 39.000 -0.583 0.000 1.055 432 F HN 0.267 nan 8.300 nan 0.000 0.606 433 N N 2.063 120.105 118.700 -1.097 0.000 2.184 433 N HA 0.224 4.964 4.740 -0.000 0.000 0.206 433 N C 0.909 175.982 175.510 -0.728 0.000 1.151 433 N CA 0.346 52.999 53.050 -0.661 0.000 0.878 433 N CB 0.926 39.159 38.487 -0.424 0.000 1.014 433 N HN 0.908 nan 8.380 nan 0.000 0.512 434 G N -0.224 107.710 108.800 -1.443 0.000 2.199 434 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 434 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 434 G C 0.300 175.009 174.900 -0.318 0.000 0.982 434 G CA 0.717 45.480 45.100 -0.562 0.000 0.632 434 G HN 0.836 nan 8.290 nan 0.000 0.529 435 T N -1.568 112.729 114.554 -0.429 0.000 2.868 435 T HA 0.515 4.865 4.350 -0.000 0.000 0.292 435 T C 1.005 175.689 174.700 -0.027 0.000 1.028 435 T CA 0.369 62.359 62.100 -0.183 0.000 1.059 435 T CB 1.339 70.079 68.868 -0.213 0.000 0.991 435 T HN -0.050 nan 8.240 nan 0.000 0.531 436 D N 0.779 121.224 120.400 0.074 0.000 2.219 436 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 436 D C 1.851 178.275 176.300 0.206 0.000 0.970 436 D CA 1.008 55.199 54.000 0.317 0.000 0.851 436 D CB -0.143 40.827 40.800 0.283 0.000 0.943 436 D HN 0.699 nan 8.370 nan 0.000 0.488 437 E N 0.924 121.038 120.200 -0.143 0.000 2.021 437 E HA -0.169 4.181 4.350 -0.000 0.000 0.200 437 E C 1.659 178.368 176.600 0.181 0.000 1.015 437 E CA 1.237 57.402 56.400 -0.392 0.000 0.824 437 E CB -0.241 28.962 29.700 -0.829 0.000 0.762 437 E HN 0.142 nan 8.360 nan 0.000 0.454 438 D N -0.526 119.985 120.400 0.185 0.000 2.221 438 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 438 D C 1.834 178.606 176.300 0.786 0.000 0.982 438 D CA 0.636 54.948 54.000 0.520 0.000 0.857 438 D CB -0.058 40.664 40.800 -0.129 0.000 0.934 438 D HN 0.023 nan 8.370 nan 0.000 0.475 439 V N 0.440 120.705 119.914 0.586 0.000 2.358 439 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 439 V C 2.598 178.983 176.094 0.484 0.000 1.047 439 V CA 0.972 63.564 62.300 0.487 0.000 1.035 439 V CB -0.437 31.459 31.823 0.122 0.000 0.658 439 V HN 0.197 nan 8.190 nan 0.000 0.452 440 L N 0.005 121.572 121.223 0.573 0.000 2.042 440 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 440 L C 2.673 179.881 176.870 0.563 0.000 1.076 440 L CA 2.087 57.291 54.840 0.607 0.000 0.749 440 L CB -1.030 41.486 42.059 0.761 0.000 0.893 440 L HN 0.359 nan 8.230 nan 0.000 0.432 441 T N -1.490 113.504 114.554 0.732 0.000 2.759 441 T HA -0.270 4.079 4.350 -0.000 0.000 0.269 441 T C 1.657 176.667 174.700 0.517 0.000 1.042 441 T CA 1.594 64.120 62.100 0.710 0.000 1.140 441 T CB -0.382 68.906 68.868 0.701 0.000 0.864 441 T HN 0.336 nan 8.240 nan 0.000 0.455 442 Y N 1.870 122.418 120.300 0.414 0.000 2.263 442 Y HA 0.202 4.752 4.550 -0.000 0.000 0.292 442 Y C 2.455 178.469 175.900 0.190 0.000 1.130 442 Y CA 0.466 58.741 58.100 0.290 0.000 1.179 442 Y CB -0.699 37.952 38.460 0.319 0.000 0.998 442 Y HN 0.164 nan 8.280 nan 0.000 0.532 443 A N 0.105 122.960 122.820 0.059 0.000 1.930 443 A HA -0.074 4.245 4.320 -0.000 0.000 0.217 443 A C 2.183 179.737 177.584 -0.050 0.000 1.175 443 A CA 1.698 53.708 52.037 -0.045 0.000 0.627 443 A CB -0.904 18.125 19.000 0.050 0.000 0.815 443 A HN 0.525 nan 8.150 nan 0.000 0.443 444 L N -2.742 118.418 121.223 -0.106 0.000 2.102 444 L HA 0.100 4.440 4.340 -0.000 0.000 0.202 444 L C 0.169 176.622 176.870 -0.695 0.000 1.076 444 L CA 0.614 55.255 54.840 -0.331 0.000 0.761 444 L CB -0.091 41.724 42.059 -0.407 0.000 0.921 444 L HN 0.325 nan 8.230 nan 0.000 0.444 445 F N -0.795 119.127 119.950 -0.047 0.000 2.531 445 F HA 0.328 4.855 4.527 -0.000 0.000 0.333 445 F C -1.835 173.872 175.800 -0.155 0.000 1.292 445 F CA -1.862 56.060 58.000 -0.131 0.000 1.184 445 F CB 0.351 39.303 39.000 -0.080 0.000 1.426 445 F HN -0.209 nan 8.300 nan 0.000 0.559 446 P HA -0.182 nan 4.420 nan 0.000 0.219 446 P C 1.332 178.631 177.300 -0.003 0.000 1.146 446 P CA 1.451 64.375 63.100 -0.293 0.000 0.808 446 P CB 0.264 31.709 31.700 -0.426 0.000 0.779 447 Q N -1.271 118.508 119.800 -0.034 0.000 2.302 447 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 447 Q C 1.876 177.917 176.000 0.068 0.000 0.936 447 Q CA 1.077 56.892 55.803 0.019 0.000 0.886 447 Q CB -0.182 28.538 28.738 -0.030 0.000 0.986 447 Q HN 0.248 nan 8.270 nan 0.000 0.487 448 V N 0.482 120.448 119.914 0.086 0.000 2.581 448 V HA 0.040 4.159 4.120 -0.000 0.000 0.240 448 V C 2.388 178.530 176.094 0.080 0.000 1.054 448 V CA 1.081 63.417 62.300 0.060 0.000 1.076 448 V CB -0.961 30.852 31.823 -0.017 0.000 0.748 448 V HN 0.190 nan 8.190 nan 0.000 0.474 449 A N 1.093 123.971 122.820 0.096 0.000 1.954 449 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 449 A C 0.439 178.020 177.584 -0.005 0.000 1.199 449 A CA 2.795 54.800 52.037 -0.054 0.000 0.657 449 A CB -2.013 17.135 19.000 0.247 0.000 0.823 449 A HN 0.536 nan 8.150 nan 0.000 0.463 450 P HA -0.097 nan 4.420 nan 0.000 0.213 450 P C 1.706 179.108 177.300 0.171 0.000 1.170 450 P CA 1.504 64.729 63.100 0.209 0.000 0.893 450 P CB -0.175 31.628 31.700 0.171 0.000 0.784 451 V N -0.807 119.201 119.914 0.157 0.000 2.343 451 V HA -0.244 3.875 4.120 -0.000 0.000 0.247 451 V C 2.245 178.487 176.094 0.248 0.000 1.051 451 V CA 1.762 64.180 62.300 0.197 0.000 1.036 451 V CB -1.366 30.581 31.823 0.207 0.000 0.654 451 V HN 0.018 nan 8.190 nan 0.000 0.451 452 F N 0.664 120.636 119.950 0.036 0.000 2.102 452 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 452 F C 2.121 177.981 175.800 0.099 0.000 1.105 452 F CA 1.372 59.376 58.000 0.007 0.000 1.239 452 F CB -0.697 38.205 39.000 -0.163 0.000 0.991 452 F HN 0.137 nan 8.300 nan 0.000 0.474 453 F N 0.589 120.460 119.950 -0.132 0.000 2.202 453 F HA -0.222 4.305 4.527 -0.000 0.000 0.301 453 F C 2.576 178.237 175.800 -0.233 0.000 1.082 453 F CA 1.295 59.149 58.000 -0.243 0.000 1.313 453 F CB -0.374 38.636 39.000 0.018 0.000 1.024 453 F HN 0.150 nan 8.300 nan 0.000 0.495 454 E N -0.920 119.280 120.200 0.000 0.000 2.299 454 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 454 E C 1.529 177.936 176.600 -0.322 0.000 0.998 454 E CA 0.642 56.938 56.400 -0.172 0.000 0.851 454 E CB 0.103 29.656 29.700 -0.244 0.000 0.795 454 E HN 0.480 nan 8.360 nan 0.000 0.492 455 H N -0.721 118.319 119.070 -0.050 0.000 2.750 455 H HA 0.115 4.671 4.556 -0.000 0.000 0.263 455 H C 1.854 177.112 175.328 -0.116 0.000 0.964 455 H CA 0.261 56.288 56.048 -0.035 0.000 1.205 455 H CB 0.266 30.049 29.762 0.034 0.000 1.454 455 H HN 0.108 nan 8.280 nan 0.000 0.503 456 R N 1.560 121.927 120.500 -0.221 0.000 2.153 456 R HA -0.184 4.156 4.340 -0.000 0.000 0.252 456 R C 2.065 178.298 176.300 -0.112 0.000 1.158 456 R CA 1.544 57.453 56.100 -0.319 0.000 0.975 456 R CB -0.123 29.762 30.300 -0.691 0.000 0.871 456 R HN 0.203 nan 8.270 nan 0.000 0.450 457 A N 0.793 123.568 122.820 -0.075 0.000 2.070 457 A HA -0.158 4.161 4.320 -0.000 0.000 0.220 457 A C 1.663 179.258 177.584 0.017 0.000 1.159 457 A CA 1.540 53.561 52.037 -0.026 0.000 0.656 457 A CB -0.343 18.643 19.000 -0.024 0.000 0.800 457 A HN 0.589 nan 8.150 nan 0.000 0.453 458 E N -0.847 119.382 120.200 0.048 0.000 2.409 458 E HA 0.264 4.614 4.350 -0.000 0.000 0.198 458 E C 0.958 177.620 176.600 0.103 0.000 1.024 458 E CA 0.172 56.643 56.400 0.120 0.000 0.861 458 E CB -0.270 29.560 29.700 0.217 0.000 0.788 458 E HN 0.749 nan 8.360 nan 0.000 0.521 459 G N 2.335 111.135 108.800 -0.000 0.000 2.712 459 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 459 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 459 G C -2.818 171.986 174.900 -0.161 0.000 1.321 459 G CA -0.767 44.327 45.100 -0.010 0.000 0.813 459 G HN -0.082 nan 8.290 nan 0.000 0.599 460 P HA 0.234 nan 4.420 nan 0.000 0.269 460 P C -0.058 177.234 177.300 -0.015 0.000 1.215 460 P CA 0.415 63.457 63.100 -0.096 0.000 0.780 460 P CB 0.657 32.358 31.700 0.001 0.000 0.898 461 H N -0.930 118.180 119.070 0.068 0.000 3.160 461 H HA 0.645 5.201 4.556 -0.000 0.000 0.297 461 H C -0.357 175.003 175.328 0.052 0.000 1.605 461 H CA -1.071 55.008 56.048 0.053 0.000 1.418 461 H CB 1.611 31.402 29.762 0.050 0.000 1.846 461 H HN 0.390 nan 8.280 nan 0.000 0.754 462 S N 0.007 115.824 115.700 0.195 0.000 2.546 462 S HA 0.279 4.749 4.470 -0.000 0.000 0.274 462 S C -0.244 174.401 174.600 0.076 0.000 1.121 462 S CA -0.634 57.630 58.200 0.107 0.000 0.887 462 S CB 1.465 64.703 63.200 0.063 0.000 1.094 462 S HN 0.518 nan 8.310 nan 0.000 0.474 463 V N 1.308 121.259 119.914 0.061 0.000 3.214 463 V HA 0.736 4.856 4.120 -0.000 0.000 0.330 463 V C 0.594 176.746 176.094 0.097 0.000 1.403 463 V CA 0.182 62.539 62.300 0.095 0.000 1.143 463 V CB -0.386 31.525 31.823 0.147 0.000 1.098 463 V HN 0.827 nan 8.190 nan 0.000 0.463 464 A N 0.937 123.700 122.820 -0.095 0.000 2.286 464 A HA 0.783 5.102 4.320 -0.000 0.000 0.286 464 A C 0.066 177.535 177.584 -0.193 0.000 1.097 464 A CA -0.705 51.140 52.037 -0.321 0.000 0.821 464 A CB 0.550 18.965 19.000 -0.975 0.000 1.076 464 A HN 0.499 nan 8.150 nan 0.000 0.490 465 L N 1.166 122.277 121.223 -0.188 0.000 2.483 465 L HA 0.245 4.585 4.340 -0.000 0.000 0.276 465 L C 1.298 178.109 176.870 -0.098 0.000 1.213 465 L CA -0.165 54.605 54.840 -0.117 0.000 0.843 465 L CB 0.226 42.226 42.059 -0.098 0.000 1.107 465 L HN 0.904 nan 8.230 nan 0.000 0.487 466 T N -2.911 111.603 114.554 -0.066 0.000 2.899 466 T HA 0.117 4.467 4.350 -0.000 0.000 0.284 466 T C 0.781 175.460 174.700 -0.036 0.000 1.004 466 T CA -0.883 61.188 62.100 -0.047 0.000 1.043 466 T CB 1.170 70.016 68.868 -0.037 0.000 1.013 466 T HN 0.549 nan 8.240 nan 0.000 0.518 467 D N 1.150 121.535 120.400 -0.026 0.000 2.271 467 D HA -0.123 4.516 4.640 -0.000 0.000 0.207 467 D C 2.138 178.427 176.300 -0.019 0.000 0.983 467 D CA 1.444 55.433 54.000 -0.019 0.000 0.878 467 D CB -0.367 40.425 40.800 -0.014 0.000 0.920 467 D HN 0.766 nan 8.370 nan 0.000 0.479 468 A N 0.764 123.572 122.820 -0.021 0.000 1.929 468 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 468 A C 2.166 179.736 177.584 -0.023 0.000 1.176 468 A CA 1.016 53.041 52.037 -0.020 0.000 0.628 468 A CB -0.332 18.656 19.000 -0.020 0.000 0.816 468 A HN 0.182 nan 8.150 nan 0.000 0.444 469 Q N -0.843 118.940 119.800 -0.029 0.000 2.096 469 Q HA -0.033 4.307 4.340 -0.000 0.000 0.197 469 Q C 1.893 177.875 176.000 -0.030 0.000 0.964 469 Q CA 0.993 56.776 55.803 -0.033 0.000 0.838 469 Q CB -0.277 28.435 28.738 -0.044 0.000 0.906 469 Q HN 0.497 nan 8.270 nan 0.000 0.444 470 L N 1.495 122.702 121.223 -0.028 0.000 2.013 470 L HA -0.258 4.081 4.340 -0.000 0.000 0.212 470 L C 2.308 179.169 176.870 -0.016 0.000 1.073 470 L CA 1.848 56.676 54.840 -0.020 0.000 0.753 470 L CB -0.717 41.335 42.059 -0.012 0.000 0.890 470 L HN 0.149 nan 8.230 nan 0.000 0.432 471 K N -0.170 120.221 120.400 -0.015 0.000 1.969 471 K HA -0.187 4.133 4.320 -0.000 0.000 0.216 471 K C 1.963 178.555 176.600 -0.013 0.000 1.048 471 K CA 1.575 57.855 56.287 -0.012 0.000 0.948 471 K CB -0.348 32.145 32.500 -0.011 0.000 0.726 471 K HN 0.247 nan 8.250 nan 0.000 0.442 472 A N 0.642 123.453 122.820 -0.016 0.000 2.245 472 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 472 A C 1.757 179.330 177.584 -0.017 0.000 1.171 472 A CA 1.847 53.875 52.037 -0.016 0.000 0.688 472 A CB -0.466 18.523 19.000 -0.018 0.000 0.781 472 A HN 0.679 nan 8.150 nan 0.000 0.479 473 E N -0.855 119.334 120.200 -0.018 0.000 2.176 473 E HA 0.442 4.791 4.350 -0.000 0.000 0.194 473 E C 1.157 177.748 176.600 -0.015 0.000 0.947 473 E CA 0.382 56.770 56.400 -0.020 0.000 0.960 473 E CB 0.129 29.813 29.700 -0.026 0.000 1.002 473 E HN 0.447 nan 8.360 nan 0.000 0.479 474 A N 0.000 122.812 122.820 -0.013 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 474 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486