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 1rqh_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 KDMAALLKPQ 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 0.000 176.289 176.300 -0.019 0.000 0.893 4 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 4 R CB 0.000 30.287 30.300 -0.021 0.000 0.687 5 E N 4.553 124.742 120.200 -0.019 0.000 2.393 5 E HA 0.516 4.866 4.350 -0.000 0.000 0.273 5 E C -0.755 175.828 176.600 -0.028 0.000 0.918 5 E CA -1.042 55.348 56.400 -0.018 0.000 0.773 5 E CB 2.938 32.635 29.700 -0.005 0.000 1.275 5 E HN 0.350 nan 8.360 nan 0.000 0.451 6 I N 1.347 121.900 120.570 -0.029 0.000 2.499 6 I HA 0.167 4.336 4.170 -0.000 0.000 0.288 6 I C -0.198 175.934 176.117 0.025 0.000 1.048 6 I CA -0.605 60.666 61.300 -0.048 0.000 1.062 6 I CB 2.069 39.988 38.000 -0.135 0.000 1.238 6 I HN 0.477 nan 8.210 nan 0.000 0.426 7 E N 6.380 126.633 120.200 0.088 0.000 2.344 7 E HA 0.395 4.745 4.350 -0.000 0.000 0.270 7 E C -1.061 175.663 176.600 0.207 0.000 1.021 7 E CA -0.474 56.004 56.400 0.130 0.000 0.887 7 E CB 1.157 30.937 29.700 0.133 0.000 0.997 7 E HN 0.452 nan 8.360 nan 0.000 0.429 8 V N 1.397 121.412 119.914 0.169 0.000 2.914 8 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 8 V C 0.018 176.227 176.094 0.191 0.000 1.084 8 V CA -0.776 61.658 62.300 0.223 0.000 0.963 8 V CB 1.412 33.379 31.823 0.240 0.000 1.025 8 V HN 0.779 nan 8.190 nan 0.000 0.432 9 S N 1.907 117.739 115.700 0.220 0.000 2.576 9 S HA 0.219 4.689 4.470 -0.000 0.000 0.272 9 S C 0.238 174.974 174.600 0.226 0.000 1.352 9 S CA -0.150 58.161 58.200 0.185 0.000 1.021 9 S CB 0.375 63.660 63.200 0.142 0.000 0.887 9 S HN 1.267 nan 8.310 nan 0.000 0.542 10 E N 0.544 120.825 120.200 0.136 0.000 2.408 10 E HA 0.224 4.574 4.350 -0.000 0.000 0.259 10 E C -2.758 173.887 176.600 0.075 0.000 1.110 10 E CA -1.890 54.552 56.400 0.070 0.000 0.929 10 E CB -0.949 28.777 29.700 0.044 0.000 0.971 10 E HN 0.327 nan 8.360 nan 0.000 0.438 11 P HA 0.008 nan 4.420 nan 0.000 0.264 11 P C -0.594 176.731 177.300 0.042 0.000 1.183 11 P CA 0.737 63.770 63.100 -0.111 0.000 0.763 11 P CB 0.289 31.921 31.700 -0.114 0.000 0.807 12 R N 0.645 121.223 120.500 0.131 0.000 2.752 12 R HA 0.416 4.756 4.340 -0.000 0.000 0.277 12 R C -1.366 175.021 176.300 0.145 0.000 1.024 12 R CA -1.053 55.124 56.100 0.130 0.000 0.866 12 R CB 0.939 31.320 30.300 0.136 0.000 1.278 12 R HN 0.274 nan 8.270 nan 0.000 0.473 13 E N 1.363 121.616 120.200 0.088 0.000 2.227 13 E HA 0.349 4.699 4.350 -0.000 0.000 0.282 13 E C -1.044 175.584 176.600 0.046 0.000 1.015 13 E CA -0.789 55.653 56.400 0.070 0.000 0.823 13 E CB 1.664 31.395 29.700 0.051 0.000 1.081 13 E HN 0.352 nan 8.360 nan 0.000 0.396 14 V N 4.008 123.943 119.914 0.034 0.000 2.398 14 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 14 V C 0.748 176.836 176.094 -0.009 0.000 1.026 14 V CA -0.532 61.758 62.300 -0.017 0.000 0.868 14 V CB 1.473 33.272 31.823 -0.041 0.000 0.982 14 V HN 0.806 nan 8.190 nan 0.000 0.443 15 G N 4.857 113.632 108.800 -0.042 0.000 2.503 15 G HA2 0.571 4.531 3.960 -0.000 0.000 0.257 15 G HA3 0.571 4.531 3.960 -0.000 0.000 0.257 15 G C -0.687 174.236 174.900 0.040 0.000 1.214 15 G CA -0.342 44.769 45.100 0.018 0.000 0.839 15 G HN 0.448 nan 8.290 nan 0.000 0.559 16 I N 0.510 121.172 120.570 0.153 0.000 2.498 16 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 16 I C -0.149 176.106 176.117 0.229 0.000 1.032 16 I CA -0.468 60.927 61.300 0.158 0.000 1.073 16 I CB 1.910 40.027 38.000 0.194 0.000 1.251 16 I HN 0.265 nan 8.210 nan 0.000 0.426 17 T N 4.642 119.253 114.554 0.095 0.000 2.758 17 T HA 0.251 4.601 4.350 -0.000 0.000 0.285 17 T C -0.075 174.491 174.700 -0.224 0.000 0.981 17 T CA -0.401 61.700 62.100 0.002 0.000 0.965 17 T CB 1.211 70.114 68.868 0.058 0.000 0.927 17 T HN 0.442 nan 8.240 nan 0.000 0.448 18 E N 2.915 122.779 120.200 -0.561 0.000 2.289 18 E HA 0.267 4.617 4.350 -0.000 0.000 0.278 18 E C 0.057 176.371 176.600 -0.476 0.000 1.032 18 E CA -0.227 55.744 56.400 -0.715 0.000 0.854 18 E CB 0.508 29.316 29.700 -1.488 0.000 1.046 18 E HN 0.546 nan 8.360 nan 0.000 0.409 19 L N 4.220 125.194 121.223 -0.416 0.000 2.766 19 L HA 0.179 4.519 4.340 -0.000 0.000 0.242 19 L C 1.724 178.383 176.870 -0.351 0.000 1.136 19 L CA -0.146 54.460 54.840 -0.390 0.000 0.933 19 L CB 0.286 42.013 42.059 -0.553 0.000 1.241 19 L HN 0.483 nan 8.230 nan 0.000 0.522 20 V N 0.871 120.568 119.914 -0.362 0.000 2.469 20 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 20 V C 2.013 177.949 176.094 -0.264 0.000 1.064 20 V CA 1.918 63.981 62.300 -0.395 0.000 1.066 20 V CB -0.043 31.422 31.823 -0.596 0.000 0.667 20 V HN 0.461 nan 8.190 nan 0.000 0.461 21 L N -0.815 120.284 121.223 -0.206 0.000 2.554 21 L HA 0.141 4.481 4.340 -0.000 0.000 0.226 21 L C 2.282 179.203 176.870 0.085 0.000 1.137 21 L CA 0.474 55.292 54.840 -0.037 0.000 0.863 21 L CB -0.279 41.607 42.059 -0.289 0.000 0.985 21 L HN 0.279 nan 8.230 nan 0.000 0.451 22 R N -0.423 119.981 120.500 -0.161 0.000 4.494 22 R HA 0.010 4.350 4.340 -0.000 0.000 0.124 22 R C 1.146 177.142 176.300 -0.507 0.000 1.588 22 R CA 0.464 56.388 56.100 -0.295 0.000 1.083 22 R CB -0.621 29.598 30.300 -0.136 0.000 1.313 22 R HN -0.090 nan 8.270 nan 0.000 0.426 23 D N 1.292 121.529 120.400 -0.271 0.000 2.178 23 D HA 0.005 4.645 4.640 -0.000 0.000 0.201 23 D C 1.567 177.846 176.300 -0.034 0.000 0.980 23 D CA 1.555 55.484 54.000 -0.118 0.000 0.842 23 D CB 0.044 40.844 40.800 -0.000 0.000 0.948 23 D HN 0.403 nan 8.370 nan 0.000 0.472 24 A N 0.141 122.884 122.820 -0.129 0.000 1.865 24 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 24 A C 1.939 179.498 177.584 -0.042 0.000 1.191 24 A CA 2.275 54.299 52.037 -0.021 0.000 0.623 24 A CB -1.239 17.683 19.000 -0.130 0.000 0.826 24 A HN 0.621 nan 8.150 nan 0.000 0.444 25 H N -1.818 117.203 119.070 -0.081 0.000 2.512 25 H HA 0.142 4.698 4.556 -0.000 0.000 0.279 25 H C 1.865 177.165 175.328 -0.047 0.000 0.999 25 H CA 1.066 57.056 56.048 -0.098 0.000 1.283 25 H CB -0.398 29.266 29.762 -0.164 0.000 1.421 25 H HN 0.592 nan 8.280 nan 0.000 0.554 26 Q N 0.978 120.611 119.800 -0.278 0.000 2.119 26 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 26 Q C 1.452 177.452 176.000 0.000 0.000 0.972 26 Q CA 1.681 57.423 55.803 -0.101 0.000 0.847 26 Q CB 0.094 28.754 28.738 -0.130 0.000 0.903 26 Q HN 0.514 nan 8.270 nan 0.000 0.433 27 S N -0.038 115.675 115.700 0.021 0.000 2.425 27 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 27 S C 1.672 176.289 174.600 0.028 0.000 1.024 27 S CA 0.468 58.696 58.200 0.046 0.000 0.951 27 S CB 0.176 63.416 63.200 0.067 0.000 0.796 27 S HN 0.339 nan 8.310 nan 0.000 0.498 28 L N 0.873 122.114 121.223 0.030 0.000 2.470 28 L HA 0.333 4.673 4.340 -0.000 0.000 0.219 28 L C 1.124 178.041 176.870 0.079 0.000 1.071 28 L CA 0.420 55.284 54.840 0.041 0.000 0.850 28 L CB 0.060 42.135 42.059 0.028 0.000 1.040 28 L HN 0.356 nan 8.230 nan 0.000 0.475 29 M N -1.362 118.287 119.600 0.082 0.000 3.404 29 M HA 0.501 4.981 4.480 -0.000 0.000 0.398 29 M C 0.354 176.684 176.300 0.050 0.000 1.599 29 M CA -0.303 55.077 55.300 0.134 0.000 0.696 29 M CB 0.458 33.143 32.600 0.142 0.000 1.427 29 M HN 0.001 nan 8.290 nan 0.000 0.502 30 A N 0.209 123.060 122.820 0.051 0.000 2.748 30 A HA -0.191 4.129 4.320 -0.000 0.000 0.297 30 A C 0.975 178.543 177.584 -0.027 0.000 1.508 30 A CA 1.342 53.380 52.037 0.002 0.000 0.799 30 A CB -2.781 16.208 19.000 -0.017 0.000 1.011 30 A HN 1.201 nan 8.150 nan 0.000 0.500 31 T N -2.245 112.351 114.554 0.069 0.000 4.210 31 T HA -0.259 4.091 4.350 -0.000 0.000 0.329 31 T C 0.746 175.509 174.700 0.106 0.000 0.793 31 T CA 1.538 63.764 62.100 0.209 0.000 1.935 31 T CB -1.084 67.861 68.868 0.128 0.000 1.918 31 T HN 0.877 nan 8.240 nan 0.000 0.875 32 R N -0.663 119.783 120.500 -0.090 0.000 2.310 32 R HA 0.320 4.660 4.340 -0.000 0.000 0.202 32 R C 0.924 177.211 176.300 -0.021 0.000 0.933 32 R CA -0.157 55.836 56.100 -0.180 0.000 1.054 32 R CB -0.254 29.657 30.300 -0.647 0.000 0.985 32 R HN 0.567 nan 8.270 nan 0.000 0.489 33 M N 1.489 120.910 119.600 -0.298 0.000 2.327 33 M HA 0.066 4.546 4.480 -0.000 0.000 0.353 33 M C -0.202 176.014 176.300 -0.140 0.000 1.539 33 M CA -0.301 54.715 55.300 -0.473 0.000 1.039 33 M CB 0.491 32.484 32.600 -1.012 0.000 1.967 33 M HN 0.135 nan 8.290 nan 0.000 0.459 34 A N 5.610 128.498 122.820 0.113 0.000 2.371 34 A HA 0.341 4.660 4.320 -0.000 0.000 0.257 34 A C 0.882 178.505 177.584 0.066 0.000 1.089 34 A CA -0.610 51.490 52.037 0.105 0.000 0.794 34 A CB 0.272 19.369 19.000 0.161 0.000 1.029 34 A HN 1.051 nan 8.150 nan 0.000 0.488 35 M N 1.132 120.751 119.600 0.031 0.000 2.149 35 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 35 M C 1.678 178.001 176.300 0.039 0.000 1.064 35 M CA 2.289 57.590 55.300 0.002 0.000 1.102 35 M CB -0.649 31.902 32.600 -0.081 0.000 1.369 35 M HN 0.942 nan 8.290 nan 0.000 0.408 36 E N -0.572 119.658 120.200 0.050 0.000 2.160 36 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 36 E C 0.786 177.440 176.600 0.091 0.000 0.991 36 E CA 1.600 58.036 56.400 0.060 0.000 0.810 36 E CB -0.135 29.602 29.700 0.061 0.000 0.742 36 E HN 0.540 nan 8.360 nan 0.000 0.466 37 D N -0.834 119.640 120.400 0.123 0.000 2.340 37 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 37 D C 1.444 177.866 176.300 0.204 0.000 1.039 37 D CA 0.500 54.586 54.000 0.144 0.000 0.866 37 D CB 0.282 41.200 40.800 0.195 0.000 0.913 37 D HN 0.369 nan 8.370 nan 0.000 0.523 38 M N -0.376 119.348 119.600 0.207 0.000 2.730 38 M HA -0.023 4.457 4.480 -0.000 0.000 0.258 38 M C 2.263 178.662 176.300 0.165 0.000 1.279 38 M CA 0.296 55.761 55.300 0.276 0.000 1.183 38 M CB 0.352 33.202 32.600 0.416 0.000 1.291 38 M HN -0.115 nan 8.290 nan 0.000 0.518 39 V N -1.106 118.895 119.914 0.145 0.000 2.546 39 V HA -0.108 4.012 4.120 -0.000 0.000 0.254 39 V C 1.977 178.071 176.094 0.000 0.000 1.076 39 V CA 2.239 64.599 62.300 0.101 0.000 1.087 39 V CB -2.240 29.611 31.823 0.047 0.000 0.674 39 V HN 0.528 nan 8.190 nan 0.000 0.470 40 G N -0.401 108.363 108.800 -0.059 0.000 2.559 40 G HA2 0.103 4.063 3.960 -0.000 0.000 0.216 40 G HA3 0.103 4.063 3.960 -0.000 0.000 0.216 40 G C 1.378 176.037 174.900 -0.402 0.000 1.126 40 G CA 0.763 45.783 45.100 -0.133 0.000 0.778 40 G HN 0.986 nan 8.290 nan 0.000 0.543 41 A N -1.015 121.454 122.820 -0.584 0.000 2.390 41 A HA 0.314 4.634 4.320 -0.000 0.000 0.232 41 A C 2.121 179.638 177.584 -0.113 0.000 1.233 41 A CA 0.595 52.363 52.037 -0.449 0.000 0.907 41 A CB -0.384 18.293 19.000 -0.539 0.000 0.967 41 A HN 0.296 nan 8.150 nan 0.000 0.512 42 C N -0.652 118.620 119.300 -0.046 0.000 2.429 42 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 42 C C 3.208 178.205 174.990 0.011 0.000 1.262 42 C CA 1.225 60.256 59.018 0.022 0.000 1.733 42 C CB -1.123 26.672 27.740 0.092 0.000 2.010 42 C HN 0.723 nan 8.230 nan 0.000 0.483 43 A N 0.621 123.439 122.820 -0.003 0.000 1.908 43 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 43 A C 1.846 179.432 177.584 0.002 0.000 1.181 43 A CA 2.176 54.213 52.037 0.000 0.000 0.627 43 A CB -0.575 18.423 19.000 -0.003 0.000 0.818 43 A HN 0.587 nan 8.150 nan 0.000 0.445 44 D N -0.220 120.181 120.400 0.000 0.000 2.149 44 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 44 D C 1.914 178.236 176.300 0.036 0.000 0.972 44 D CA 0.988 54.995 54.000 0.013 0.000 0.835 44 D CB -0.258 40.552 40.800 0.018 0.000 0.966 44 D HN 0.509 nan 8.370 nan 0.000 0.476 45 I N 0.978 121.592 120.570 0.073 0.000 2.226 45 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 45 I C 2.072 178.270 176.117 0.136 0.000 1.100 45 I CA 1.157 62.559 61.300 0.171 0.000 1.374 45 I CB -0.099 37.972 38.000 0.119 0.000 1.057 45 I HN -0.112 nan 8.210 nan 0.000 0.413 46 D N 0.775 121.206 120.400 0.052 0.000 2.219 46 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 46 D C 1.686 177.985 176.300 -0.002 0.000 0.970 46 D CA 1.138 55.151 54.000 0.022 0.000 0.851 46 D CB 0.176 40.978 40.800 0.003 0.000 0.943 46 D HN 0.310 nan 8.370 nan 0.000 0.488 47 A N -0.838 121.973 122.820 -0.016 0.000 2.465 47 A HA 0.621 4.941 4.320 -0.000 0.000 0.255 47 A C 1.780 179.306 177.584 -0.097 0.000 1.274 47 A CA 0.511 52.522 52.037 -0.044 0.000 0.920 47 A CB 0.051 19.033 19.000 -0.029 0.000 1.033 47 A HN 0.216 nan 8.150 nan 0.000 0.516 48 A N -0.805 121.919 122.820 -0.160 0.000 1.970 48 A HA 0.392 4.712 4.320 -0.000 0.000 0.216 48 A C 1.770 179.106 177.584 -0.413 0.000 1.170 48 A CA 1.494 53.319 52.037 -0.353 0.000 0.645 48 A CB -0.474 18.132 19.000 -0.658 0.000 0.816 48 A HN 1.775 nan 8.150 nan 0.000 0.447 49 G N -2.777 105.831 108.800 -0.319 0.000 2.141 49 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.164 49 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.164 49 G C -0.071 174.739 174.900 -0.150 0.000 1.009 49 G CA -0.150 44.825 45.100 -0.208 0.000 0.677 49 G HN 0.410 nan 8.290 nan 0.000 0.508 50 Y N -1.288 118.990 120.300 -0.036 0.000 2.457 50 Y HA 0.337 4.887 4.550 -0.000 0.000 0.341 50 Y C 1.533 177.441 175.900 0.012 0.000 1.240 50 Y CA -0.112 57.981 58.100 -0.010 0.000 1.437 50 Y CB 0.548 38.982 38.460 -0.044 0.000 1.328 50 Y HN 0.243 nan 8.280 nan 0.000 0.588 51 W N 1.980 123.343 121.300 0.105 0.000 2.418 51 W HA -0.015 4.645 4.660 -0.000 0.000 0.292 51 W C 0.195 176.706 176.519 -0.014 0.000 1.213 51 W CA 1.298 58.653 57.345 0.018 0.000 1.283 51 W CB 0.157 29.610 29.460 -0.011 0.000 1.119 51 W HN 0.445 nan 8.180 nan 0.000 0.542 52 S N -1.425 114.253 115.700 -0.036 0.000 2.588 52 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 52 S C -1.537 172.963 174.600 -0.166 0.000 1.157 52 S CA -1.057 56.995 58.200 -0.247 0.000 0.824 52 S CB 1.903 64.904 63.200 -0.331 0.000 1.126 52 S HN -0.103 nan 8.310 nan 0.000 0.464 53 V N 1.724 121.503 119.914 -0.226 0.000 2.380 53 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 53 V C -0.056 175.884 176.094 -0.257 0.000 1.015 53 V CA -0.479 61.651 62.300 -0.284 0.000 0.834 53 V CB 1.045 32.706 31.823 -0.270 0.000 1.009 53 V HN 0.970 nan 8.190 nan 0.000 0.428 54 E N 3.738 123.793 120.200 -0.241 0.000 2.265 54 E HA 0.158 4.508 4.350 -0.000 0.000 0.272 54 E C 0.421 176.902 176.600 -0.198 0.000 1.067 54 E CA 0.011 56.301 56.400 -0.183 0.000 0.900 54 E CB 0.611 30.211 29.700 -0.167 0.000 1.017 54 E HN 0.972 nan 8.360 nan 0.000 0.431 55 C N 3.395 122.616 119.300 -0.131 0.000 3.722 55 C HA 0.504 4.964 4.460 -0.000 0.000 0.279 55 C C -0.527 174.613 174.990 0.250 0.000 1.819 55 C CA -0.996 57.947 59.018 -0.123 0.000 1.744 55 C CB -1.320 26.096 27.740 -0.540 0.000 3.247 55 C HN 0.755 nan 8.230 nan 0.000 0.549 56 W N 0.478 121.756 121.300 -0.037 0.000 2.959 56 W HA 0.630 5.290 4.660 -0.000 0.000 0.358 56 W C 0.482 177.012 176.519 0.019 0.000 1.228 56 W CA 1.149 58.508 57.345 0.023 0.000 1.183 56 W CB 0.793 30.253 29.460 0.000 0.000 1.467 56 W HN 1.081 nan 8.180 nan 0.000 0.578 57 G N 1.120 109.711 108.800 -0.348 0.000 2.632 57 G HA2 0.409 4.369 3.960 -0.000 0.000 0.224 57 G HA3 0.409 4.369 3.960 -0.000 0.000 0.224 57 G C 0.596 175.411 174.900 -0.141 0.000 1.341 57 G CA 0.908 45.867 45.100 -0.234 0.000 0.880 57 G HN 2.370 nan 8.290 nan 0.000 0.566 58 G N -1.320 107.452 108.800 -0.047 0.000 2.566 58 G HA2 0.224 4.183 3.960 -0.000 0.000 0.280 58 G HA3 0.224 4.183 3.960 -0.000 0.000 0.280 58 G C 1.392 176.287 174.900 -0.008 0.000 1.225 58 G CA 2.319 47.415 45.100 -0.007 0.000 0.966 58 G HN 2.576 nan 8.290 nan 0.000 0.560 59 A N -0.433 122.390 122.820 0.006 0.000 2.307 59 A HA 0.458 4.778 4.320 -0.000 0.000 0.218 59 A C 2.344 179.931 177.584 0.005 0.000 1.228 59 A CA 2.058 54.115 52.037 0.034 0.000 0.857 59 A CB -0.700 18.334 19.000 0.058 0.000 0.897 59 A HN 2.067 nan 8.150 nan 0.000 0.495 60 T N -3.742 110.790 114.554 -0.036 0.000 2.867 60 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 60 T C 1.731 176.356 174.700 -0.126 0.000 1.057 60 T CA 1.456 63.534 62.100 -0.037 0.000 1.136 60 T CB -0.595 68.265 68.868 -0.012 0.000 0.874 60 T HN 0.465 nan 8.240 nan 0.000 0.466 61 Y N 2.238 122.341 120.300 -0.329 0.000 2.145 61 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 61 Y C 2.367 177.981 175.900 -0.477 0.000 1.145 61 Y CA 1.840 59.710 58.100 -0.384 0.000 1.148 61 Y CB -0.413 37.857 38.460 -0.317 0.000 0.981 61 Y HN 0.356 nan 8.280 nan 0.000 0.507 62 D N -1.142 119.106 120.400 -0.253 0.000 2.104 62 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 62 D C 2.365 178.378 176.300 -0.478 0.000 0.994 62 D CA 1.811 55.417 54.000 -0.657 0.000 0.830 62 D CB -0.441 40.186 40.800 -0.289 0.000 0.959 62 D HN 0.271 nan 8.370 nan 0.000 0.452 63 S N -1.404 114.169 115.700 -0.212 0.000 2.368 63 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 63 S C 2.248 176.768 174.600 -0.133 0.000 1.030 63 S CA 1.354 59.524 58.200 -0.049 0.000 0.999 63 S CB -0.825 62.449 63.200 0.123 0.000 0.844 63 S HN 0.569 nan 8.310 nan 0.000 0.459 64 C N 1.707 120.878 119.300 -0.214 0.000 2.413 64 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 64 C C 2.500 177.257 174.990 -0.389 0.000 1.228 64 C CA 1.077 59.946 59.018 -0.250 0.000 1.731 64 C CB -1.453 26.095 27.740 -0.319 0.000 2.042 64 C HN 0.845 nan 8.230 nan 0.000 0.468 65 I N -0.964 119.231 120.570 -0.625 0.000 2.852 65 I HA 0.028 4.198 4.170 -0.000 0.000 0.264 65 I C 2.518 178.359 176.117 -0.461 0.000 1.179 65 I CA 1.245 62.038 61.300 -0.844 0.000 1.480 65 I CB -0.634 36.751 38.000 -1.025 0.000 1.111 65 I HN 0.206 nan 8.210 nan 0.000 0.441 66 R N 0.744 120.930 120.500 -0.524 0.000 2.112 66 R HA 0.124 4.464 4.340 -0.000 0.000 0.216 66 R C 1.543 177.537 176.300 -0.511 0.000 1.080 66 R CA 1.198 56.934 56.100 -0.607 0.000 0.996 66 R CB 0.036 29.737 30.300 -0.998 0.000 0.902 66 R HN 0.423 nan 8.270 nan 0.000 0.449 67 F N -1.093 118.816 119.950 -0.067 0.000 2.711 67 F HA 0.212 4.739 4.527 -0.000 0.000 0.296 67 F C 1.335 177.141 175.800 0.009 0.000 1.096 67 F CA -0.295 57.694 58.000 -0.018 0.000 1.280 67 F CB 0.630 39.606 39.000 -0.039 0.000 1.060 67 F HN -0.129 nan 8.300 nan 0.000 0.608 68 L N -0.302 121.005 121.223 0.140 0.000 2.693 68 L HA 0.230 4.570 4.340 -0.000 0.000 0.235 68 L C 0.207 177.120 176.870 0.072 0.000 1.127 68 L CA -0.108 54.799 54.840 0.111 0.000 0.914 68 L CB -0.356 41.741 42.059 0.064 0.000 1.193 68 L HN 0.127 nan 8.230 nan 0.000 0.502 69 N N 2.198 120.962 118.700 0.106 0.000 2.716 69 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 69 N C -0.016 175.649 175.510 0.259 0.000 1.033 69 N CA 0.687 53.881 53.050 0.240 0.000 0.727 69 N CB -0.563 37.983 38.487 0.097 0.000 0.950 69 N HN 0.626 nan 8.380 nan 0.000 0.541 70 E N -0.023 120.261 120.200 0.141 0.000 2.222 70 E HA 0.220 4.570 4.350 -0.000 0.000 0.267 70 E C -1.435 175.187 176.600 0.036 0.000 0.884 70 E CA -0.878 55.582 56.400 0.100 0.000 0.764 70 E CB 0.834 30.525 29.700 -0.015 0.000 1.169 70 E HN 0.240 nan 8.360 nan 0.000 0.413 71 D N 5.059 125.610 120.400 0.253 0.000 2.325 71 D HA 0.119 4.759 4.640 -0.000 0.000 0.251 71 D C -1.790 174.532 176.300 0.037 0.000 1.196 71 D CA -2.228 51.929 54.000 0.262 0.000 0.866 71 D CB 1.655 42.711 40.800 0.427 0.000 1.101 71 D HN 0.267 nan 8.370 nan 0.000 0.476 72 P HA -0.113 nan 4.420 nan 0.000 0.216 72 P C 0.997 178.348 177.300 0.085 0.000 1.150 72 P CA 1.209 64.181 63.100 -0.212 0.000 0.843 72 P CB 0.040 31.137 31.700 -1.006 0.000 0.787 73 W N -0.150 121.267 121.300 0.195 0.000 2.402 73 W HA -0.073 4.587 4.660 -0.000 0.000 0.286 73 W C 2.456 178.967 176.519 -0.013 0.000 1.221 73 W CA 0.763 58.175 57.345 0.113 0.000 1.257 73 W CB -0.761 28.774 29.460 0.124 0.000 1.120 73 W HN -0.006 nan 8.180 nan 0.000 0.551 74 E N 0.944 121.260 120.200 0.193 0.000 2.107 74 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 74 E C 2.152 178.721 176.600 -0.051 0.000 0.982 74 E CA 1.245 57.685 56.400 0.067 0.000 0.809 74 E CB -0.239 29.504 29.700 0.071 0.000 0.756 74 E HN 0.169 nan 8.360 nan 0.000 0.459 75 R N -0.176 120.286 120.500 -0.063 0.000 2.081 75 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 75 R C 2.246 178.373 176.300 -0.289 0.000 1.131 75 R CA 1.506 57.475 56.100 -0.219 0.000 0.960 75 R CB -0.460 29.800 30.300 -0.066 0.000 0.856 75 R HN 0.321 nan 8.270 nan 0.000 0.436 76 L N 1.323 122.391 121.223 -0.258 0.000 2.017 76 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 76 L C 2.228 178.965 176.870 -0.222 0.000 1.073 76 L CA 1.799 56.361 54.840 -0.463 0.000 0.745 76 L CB -0.522 40.884 42.059 -1.089 0.000 0.894 76 L HN 0.112 nan 8.230 nan 0.000 0.432 77 R N -1.188 119.222 120.500 -0.150 0.000 2.091 77 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 77 R C 2.062 178.320 176.300 -0.070 0.000 1.136 77 R CA 1.929 57.981 56.100 -0.080 0.000 0.959 77 R CB -0.760 29.520 30.300 -0.033 0.000 0.856 77 R HN 0.451 nan 8.270 nan 0.000 0.437 78 T N 0.562 115.046 114.554 -0.117 0.000 2.777 78 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 78 T C 1.554 176.237 174.700 -0.028 0.000 1.040 78 T CA 1.192 63.223 62.100 -0.116 0.000 1.141 78 T CB -0.259 68.481 68.868 -0.214 0.000 0.868 78 T HN 0.193 nan 8.240 nan 0.000 0.444 79 F N 1.008 120.924 119.950 -0.057 0.000 2.171 79 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 79 F C 2.775 178.530 175.800 -0.075 0.000 1.090 79 F CA 0.554 58.519 58.000 -0.058 0.000 1.293 79 F CB -0.052 38.908 39.000 -0.066 0.000 1.013 79 F HN -0.013 nan 8.300 nan 0.000 0.486 80 R N 1.394 121.948 120.500 0.090 0.000 2.120 80 R HA -0.156 4.183 4.340 -0.000 0.000 0.234 80 R C 1.945 178.251 176.300 0.010 0.000 1.123 80 R CA 1.544 57.649 56.100 0.009 0.000 0.975 80 R CB -0.437 29.841 30.300 -0.038 0.000 0.866 80 R HN 0.160 nan 8.270 nan 0.000 0.446 81 K N -0.253 120.157 120.400 0.016 0.000 2.076 81 K HA 0.008 4.327 4.320 -0.000 0.000 0.204 81 K C 1.644 178.257 176.600 0.022 0.000 1.051 81 K CA 1.109 57.401 56.287 0.008 0.000 0.949 81 K CB 0.046 32.544 32.500 -0.003 0.000 0.726 81 K HN 0.245 nan 8.250 nan 0.000 0.443 82 L N 0.304 121.558 121.223 0.052 0.000 2.492 82 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 82 L C 0.940 177.838 176.870 0.047 0.000 1.132 82 L CA 0.299 55.173 54.840 0.057 0.000 0.850 82 L CB 0.173 42.288 42.059 0.094 0.000 0.966 82 L HN 0.178 nan 8.230 nan 0.000 0.454 83 M N 0.661 120.285 119.600 0.041 0.000 2.944 83 M HA 0.205 4.685 4.480 -0.000 0.000 0.235 83 M C -1.742 174.549 176.300 -0.015 0.000 1.188 83 M CA -1.109 54.195 55.300 0.006 0.000 0.688 83 M CB 1.220 33.810 32.600 -0.016 0.000 1.406 83 M HN -0.216 nan 8.290 nan 0.000 0.479 84 P HA -0.124 nan 4.420 nan 0.000 0.222 84 P C 0.220 177.500 177.300 -0.034 0.000 1.147 84 P CA 1.431 64.518 63.100 -0.022 0.000 0.790 84 P CB 0.139 31.830 31.700 -0.014 0.000 0.780 85 N N -0.672 118.007 118.700 -0.036 0.000 2.230 85 N HA 0.084 4.824 4.740 -0.000 0.000 0.202 85 N C 0.133 175.603 175.510 -0.066 0.000 1.119 85 N CA 0.196 53.219 53.050 -0.045 0.000 0.851 85 N CB 0.440 38.906 38.487 -0.035 0.000 0.990 85 N HN 0.106 nan 8.380 nan 0.000 0.497 86 S N 0.350 116.004 115.700 -0.076 0.000 2.593 86 S HA 0.411 4.881 4.470 -0.000 0.000 0.297 86 S C 0.318 174.821 174.600 -0.162 0.000 1.112 86 S CA -0.735 57.399 58.200 -0.110 0.000 1.043 86 S CB 2.076 65.223 63.200 -0.089 0.000 1.054 86 S HN 0.061 nan 8.310 nan 0.000 0.516 87 R N 1.642 121.994 120.500 -0.246 0.000 2.210 87 R HA 0.312 4.652 4.340 -0.000 0.000 0.338 87 R C -0.624 175.507 176.300 -0.281 0.000 1.062 87 R CA -0.168 55.743 56.100 -0.316 0.000 0.902 87 R CB 0.045 30.004 30.300 -0.569 0.000 1.050 87 R HN 0.475 nan 8.270 nan 0.000 0.461 88 L N 2.752 123.841 121.223 -0.223 0.000 2.395 88 L HA 0.288 4.628 4.340 -0.000 0.000 0.269 88 L C 0.298 177.033 176.870 -0.225 0.000 1.133 88 L CA -0.130 54.584 54.840 -0.210 0.000 0.812 88 L CB 0.843 42.795 42.059 -0.178 0.000 1.125 88 L HN 0.523 nan 8.230 nan 0.000 0.452 89 Q N 3.341 123.027 119.800 -0.190 0.000 2.397 89 Q HA 0.714 5.054 4.340 -0.000 0.000 0.275 89 Q C -1.176 174.766 176.000 -0.097 0.000 1.090 89 Q CA -0.774 54.934 55.803 -0.157 0.000 0.809 89 Q CB 2.754 31.425 28.738 -0.112 0.000 1.362 89 Q HN 0.679 nan 8.270 nan 0.000 0.431 90 M N 1.179 120.732 119.600 -0.079 0.000 2.667 90 M HA 0.619 5.099 4.480 -0.000 0.000 0.286 90 M C -1.949 174.380 176.300 0.048 0.000 1.270 90 M CA -1.212 54.104 55.300 0.027 0.000 0.826 90 M CB 1.756 34.438 32.600 0.138 0.000 1.743 90 M HN 0.534 nan 8.290 nan 0.000 0.460 91 L N 2.396 123.659 121.223 0.066 0.000 2.313 91 L HA 0.775 5.115 4.340 -0.000 0.000 0.283 91 L C -1.972 175.003 176.870 0.176 0.000 1.013 91 L CA -0.581 54.323 54.840 0.107 0.000 0.816 91 L CB 1.719 43.794 42.059 0.026 0.000 1.236 91 L HN 0.791 nan 8.230 nan 0.000 0.419 92 L N 5.015 126.387 121.223 0.247 0.000 2.409 92 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 92 L C -0.095 176.778 176.870 0.006 0.000 0.980 92 L CA -0.343 54.578 54.840 0.136 0.000 0.826 92 L CB 1.555 43.743 42.059 0.215 0.000 1.268 92 L HN 0.723 nan 8.230 nan 0.000 0.407 93 R N 4.140 124.499 120.500 -0.236 0.000 4.496 93 R HA 0.404 4.744 4.340 -0.000 0.000 0.211 93 R C 0.980 176.972 176.300 -0.515 0.000 1.738 93 R CA 0.768 56.421 56.100 -0.745 0.000 1.528 93 R CB -0.729 29.160 30.300 -0.685 0.000 1.414 93 R HN 1.004 nan 8.270 nan 0.000 0.812 94 G N 1.610 110.206 108.800 -0.339 0.000 2.684 94 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.332 94 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.332 94 G C 0.591 175.358 174.900 -0.222 0.000 1.306 94 G CA 0.748 45.710 45.100 -0.230 0.000 1.002 94 G HN 0.564 nan 8.290 nan 0.000 0.545 95 Q N 0.386 120.031 119.800 -0.259 0.000 2.439 95 Q HA 0.039 4.379 4.340 -0.000 0.000 0.211 95 Q C 2.262 178.108 176.000 -0.258 0.000 0.978 95 Q CA 1.963 57.619 55.803 -0.244 0.000 0.897 95 Q CB -0.264 28.268 28.738 -0.342 0.000 0.956 95 Q HN 0.580 nan 8.270 nan 0.000 0.483 96 N N -0.833 117.665 118.700 -0.336 0.000 2.422 96 N HA 0.059 4.798 4.740 -0.000 0.000 0.181 96 N C 0.467 175.880 175.510 -0.161 0.000 1.080 96 N CA 0.589 53.511 53.050 -0.213 0.000 0.893 96 N CB 0.330 38.661 38.487 -0.261 0.000 0.973 96 N HN 0.191 nan 8.380 nan 0.000 0.456 97 L N -0.674 120.379 121.223 -0.283 0.000 6.223 97 L HA -0.355 3.985 4.340 -0.000 0.000 0.053 97 L C 0.718 177.313 176.870 -0.459 0.000 2.244 97 L CA 1.151 55.696 54.840 -0.492 0.000 1.647 97 L CB -1.023 40.596 42.059 -0.733 0.000 2.769 97 L HN 0.067 nan 8.230 nan 0.000 1.016 98 L N 0.006 120.874 121.223 -0.591 0.000 2.769 98 L HA 0.275 4.615 4.340 -0.000 0.000 0.240 98 L C 1.069 177.747 176.870 -0.320 0.000 1.163 98 L CA 0.334 54.947 54.840 -0.377 0.000 0.962 98 L CB 0.321 42.117 42.059 -0.440 0.000 1.258 98 L HN 0.579 nan 8.230 nan 0.000 0.513 99 G N -0.497 108.091 108.800 -0.354 0.000 2.510 99 G HA2 0.064 4.024 3.960 -0.000 0.000 0.280 99 G HA3 0.064 4.024 3.960 -0.000 0.000 0.280 99 G C 0.191 175.001 174.900 -0.150 0.000 1.386 99 G CA -0.170 44.736 45.100 -0.323 0.000 1.047 99 G HN 0.294 nan 8.290 nan 0.000 0.527 100 Y N -1.405 118.797 120.300 -0.163 0.000 2.449 100 Y HA 0.459 5.009 4.550 -0.000 0.000 0.254 100 Y C 0.945 176.797 175.900 -0.080 0.000 1.140 100 Y CA -0.505 57.530 58.100 -0.109 0.000 1.272 100 Y CB 0.031 38.420 38.460 -0.119 0.000 1.114 100 Y HN 0.530 nan 8.280 nan 0.000 0.525 101 R N -1.278 118.790 120.500 -0.720 0.000 2.766 101 R HA 0.382 4.722 4.340 -0.000 0.000 0.270 101 R C -1.306 174.662 176.300 -0.554 0.000 1.035 101 R CA -0.913 54.858 56.100 -0.548 0.000 0.911 101 R CB 0.802 30.642 30.300 -0.766 0.000 1.243 101 R HN 0.132 nan 8.270 nan 0.000 0.460 102 H N 0.005 118.794 119.070 -0.469 0.000 2.732 102 H HA 0.164 4.720 4.556 -0.000 0.000 0.351 102 H C -0.747 174.255 175.328 -0.543 0.000 1.090 102 H CA 0.327 56.173 56.048 -0.338 0.000 1.431 102 H CB 0.683 30.335 29.762 -0.184 0.000 1.447 102 H HN 0.312 nan 8.280 nan 0.000 0.582 103 Y N 0.526 120.786 120.300 -0.067 0.000 2.587 103 Y HA 0.050 4.600 4.550 -0.000 0.000 0.337 103 Y C 0.894 176.781 175.900 -0.021 0.000 1.065 103 Y CA -0.925 57.140 58.100 -0.058 0.000 1.126 103 Y CB 0.879 39.296 38.460 -0.072 0.000 1.279 103 Y HN 0.640 nan 8.280 nan 0.000 0.489 104 N N 1.170 119.964 118.700 0.158 0.000 2.416 104 N HA -0.106 4.634 4.740 -0.000 0.000 0.246 104 N C 0.244 175.796 175.510 0.070 0.000 1.260 104 N CA 0.171 53.269 53.050 0.080 0.000 0.897 104 N CB 0.832 39.374 38.487 0.093 0.000 1.110 104 N HN 0.745 nan 8.380 nan 0.000 0.439 105 D N 1.476 121.845 120.400 -0.052 0.000 2.190 105 D HA -0.242 4.398 4.640 -0.000 0.000 0.200 105 D C 1.527 177.870 176.300 0.071 0.000 0.992 105 D CA 1.465 55.377 54.000 -0.147 0.000 0.854 105 D CB 0.004 40.423 40.800 -0.635 0.000 0.936 105 D HN 0.813 nan 8.370 nan 0.000 0.462 106 E N 0.449 120.685 120.200 0.060 0.000 2.204 106 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 106 E C 1.951 178.574 176.600 0.038 0.000 0.989 106 E CA 0.717 57.148 56.400 0.051 0.000 0.824 106 E CB -0.167 29.558 29.700 0.043 0.000 0.756 106 E HN 0.078 nan 8.360 nan 0.000 0.477 107 V N 1.221 121.212 119.914 0.128 0.000 2.453 107 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 107 V C 2.407 178.565 176.094 0.106 0.000 1.048 107 V CA 1.150 63.541 62.300 0.151 0.000 1.049 107 V CB 0.010 31.951 31.823 0.195 0.000 0.672 107 V HN 0.198 nan 8.190 nan 0.000 0.457 108 V N 0.276 120.265 119.914 0.125 0.000 2.343 108 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 108 V C 2.324 178.496 176.094 0.131 0.000 1.051 108 V CA 2.125 64.509 62.300 0.140 0.000 1.036 108 V CB -0.654 31.290 31.823 0.202 0.000 0.654 108 V HN 0.565 nan 8.190 nan 0.000 0.451 109 D N -0.177 120.279 120.400 0.093 0.000 2.104 109 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 109 D C 2.424 178.702 176.300 -0.037 0.000 0.994 109 D CA 1.081 55.082 54.000 0.002 0.000 0.830 109 D CB -0.268 40.533 40.800 0.001 0.000 0.959 109 D HN 0.277 nan 8.370 nan 0.000 0.452 110 R N 0.242 120.681 120.500 -0.102 0.000 2.080 110 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 110 R C 2.363 178.668 176.300 0.008 0.000 1.137 110 R CA 0.570 56.550 56.100 -0.201 0.000 0.943 110 R CB -1.318 28.675 30.300 -0.513 0.000 0.846 110 R HN 0.280 nan 8.270 nan 0.000 0.431 111 F N 1.364 121.341 119.950 0.046 0.000 2.069 111 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 111 F C 2.357 178.326 175.800 0.282 0.000 1.113 111 F CA 1.479 59.620 58.000 0.236 0.000 1.214 111 F CB -0.343 38.762 39.000 0.176 0.000 0.978 111 F HN -0.264 nan 8.300 nan 0.000 0.474 112 V N 0.641 120.744 119.914 0.314 0.000 2.295 112 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 112 V C 2.381 178.499 176.094 0.041 0.000 1.049 112 V CA 2.303 64.690 62.300 0.145 0.000 1.024 112 V CB -0.797 30.985 31.823 -0.068 0.000 0.648 112 V HN 0.500 nan 8.190 nan 0.000 0.447 113 D N 0.019 120.417 120.400 -0.004 0.000 2.104 113 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 113 D C 2.104 178.407 176.300 0.004 0.000 0.994 113 D CA 1.285 55.269 54.000 -0.026 0.000 0.830 113 D CB 0.071 40.830 40.800 -0.068 0.000 0.959 113 D HN 0.260 nan 8.370 nan 0.000 0.452 114 K N 0.534 120.928 120.400 -0.010 0.000 2.148 114 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 114 K C 2.407 179.111 176.600 0.174 0.000 1.050 114 K CA 0.319 56.589 56.287 -0.028 0.000 0.942 114 K CB -0.395 31.951 32.500 -0.257 0.000 0.724 114 K HN 0.075 nan 8.250 nan 0.000 0.446 115 S N 1.128 116.975 115.700 0.245 0.000 2.356 115 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 115 S C 2.105 176.835 174.600 0.216 0.000 1.032 115 S CA 1.344 59.693 58.200 0.248 0.000 1.005 115 S CB -0.184 63.251 63.200 0.392 0.000 0.867 115 S HN 0.445 nan 8.310 nan 0.000 0.449 116 A N 1.210 124.223 122.820 0.322 0.000 1.898 116 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 116 A C 2.016 179.662 177.584 0.102 0.000 1.181 116 A CA 1.647 53.841 52.037 0.261 0.000 0.620 116 A CB -0.595 18.528 19.000 0.205 0.000 0.819 116 A HN 0.595 nan 8.150 nan 0.000 0.442 117 E N -0.014 120.226 120.200 0.066 0.000 2.110 117 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 117 E C 1.154 177.759 176.600 0.008 0.000 0.988 117 E CA 1.170 57.581 56.400 0.019 0.000 0.804 117 E CB -0.126 29.569 29.700 -0.009 0.000 0.745 117 E HN 0.576 nan 8.360 nan 0.000 0.458 118 N N -0.911 117.802 118.700 0.021 0.000 2.461 118 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 118 N C 0.743 176.211 175.510 -0.070 0.000 1.134 118 N CA 0.950 53.994 53.050 -0.009 0.000 0.878 118 N CB 1.291 39.814 38.487 0.059 0.000 0.972 118 N HN 0.367 nan 8.380 nan 0.000 0.456 119 G N 0.459 109.226 108.800 -0.055 0.000 2.227 119 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.168 119 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.168 119 G C 0.021 174.854 174.900 -0.112 0.000 1.006 119 G CA -0.242 44.811 45.100 -0.078 0.000 0.684 119 G HN 0.207 nan 8.290 nan 0.000 0.489 120 M N 2.296 121.809 119.600 -0.145 0.000 2.238 120 M HA 0.467 4.947 4.480 -0.000 0.000 0.350 120 M C 0.813 177.023 176.300 -0.150 0.000 1.321 120 M CA 0.019 55.158 55.300 -0.268 0.000 1.097 120 M CB 0.591 32.889 32.600 -0.503 0.000 1.713 120 M HN 0.118 nan 8.290 nan 0.000 0.455 121 D N 2.928 123.217 120.400 -0.185 0.000 2.490 121 D HA 0.141 4.780 4.640 -0.000 0.000 0.244 121 D C -0.314 176.008 176.300 0.036 0.000 0.979 121 D CA 0.804 54.777 54.000 -0.044 0.000 0.924 121 D CB 0.379 41.108 40.800 -0.117 0.000 1.075 121 D HN 0.403 nan 8.370 nan 0.000 0.488 122 V N 1.940 121.786 119.914 -0.113 0.000 2.417 122 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 122 V C -0.915 175.170 176.094 -0.014 0.000 1.024 122 V CA -0.610 61.714 62.300 0.039 0.000 0.861 122 V CB 1.374 33.139 31.823 -0.097 0.000 0.985 122 V HN -0.083 nan 8.190 nan 0.000 0.436 123 F N 3.907 123.959 119.950 0.170 0.000 2.332 123 F HA 0.505 5.032 4.527 -0.000 0.000 0.368 123 F C 0.631 176.532 175.800 0.169 0.000 1.110 123 F CA -0.581 57.521 58.000 0.169 0.000 1.087 123 F CB 1.138 40.238 39.000 0.166 0.000 1.235 123 F HN 0.353 nan 8.300 nan 0.000 0.470 124 R N 3.798 124.455 120.500 0.262 0.000 2.248 124 R HA 0.491 4.831 4.340 -0.000 0.000 0.337 124 R C -1.364 175.090 176.300 0.257 0.000 1.106 124 R CA -0.217 56.011 56.100 0.213 0.000 0.959 124 R CB 0.303 30.666 30.300 0.104 0.000 1.075 124 R HN 0.477 nan 8.270 nan 0.000 0.480 125 V N 6.991 127.052 119.914 0.244 0.000 2.407 125 V HA 0.442 4.562 4.120 -0.000 0.000 0.278 125 V C -0.182 176.058 176.094 0.243 0.000 1.037 125 V CA -0.383 62.041 62.300 0.207 0.000 0.900 125 V CB 0.631 32.531 31.823 0.128 0.000 0.983 125 V HN 0.685 nan 8.190 nan 0.000 0.459 126 F N 2.027 121.992 119.950 0.025 0.000 2.643 126 F HA 0.866 5.393 4.527 -0.000 0.000 0.314 126 F C -1.248 174.554 175.800 0.003 0.000 1.096 126 F CA -1.169 56.842 58.000 0.018 0.000 0.953 126 F CB 2.102 41.108 39.000 0.011 0.000 1.345 126 F HN 0.446 nan 8.300 nan 0.000 0.468 127 D N 1.235 121.604 120.400 -0.052 0.000 2.787 127 D HA 0.580 5.220 4.640 -0.000 0.000 0.246 127 D C 0.537 176.896 176.300 0.097 0.000 1.150 127 D CA -0.189 53.707 54.000 -0.173 0.000 0.864 127 D CB 2.370 43.135 40.800 -0.058 0.000 1.481 127 D HN 0.896 nan 8.370 nan 0.000 0.509 128 A N 3.703 126.549 122.820 0.045 0.000 1.986 128 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 128 A C 1.662 179.324 177.584 0.130 0.000 1.171 128 A CA 1.346 53.489 52.037 0.177 0.000 0.640 128 A CB -0.421 18.625 19.000 0.076 0.000 0.811 128 A HN 0.739 nan 8.150 nan 0.000 0.451 129 M N -1.238 118.420 119.600 0.097 0.000 2.383 129 M HA 0.148 4.628 4.480 -0.000 0.000 0.247 129 M C -0.118 176.261 176.300 0.133 0.000 1.117 129 M CA -0.161 55.204 55.300 0.108 0.000 0.995 129 M CB 0.218 32.871 32.600 0.088 0.000 1.480 129 M HN 0.338 nan 8.290 nan 0.000 0.485 130 N N 1.676 120.463 118.700 0.144 0.000 2.747 130 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 130 N C -0.544 175.031 175.510 0.110 0.000 1.107 130 N CA 0.855 53.997 53.050 0.153 0.000 0.707 130 N CB -1.205 37.401 38.487 0.199 0.000 1.054 130 N HN 0.439 nan 8.380 nan 0.000 0.555 131 D N 0.280 120.730 120.400 0.083 0.000 2.365 131 D HA 0.243 4.882 4.640 -0.000 0.000 0.237 131 D C -1.376 174.953 176.300 0.048 0.000 1.190 131 D CA -2.036 52.001 54.000 0.061 0.000 0.867 131 D CB 1.009 41.845 40.800 0.060 0.000 1.050 131 D HN 0.061 nan 8.370 nan 0.000 0.491 132 P HA -0.135 nan 4.420 nan 0.000 0.217 132 P C 1.105 178.420 177.300 0.025 0.000 1.148 132 P CA 1.112 64.234 63.100 0.037 0.000 0.828 132 P CB 0.257 31.977 31.700 0.033 0.000 0.783 133 R N -1.020 119.494 120.500 0.024 0.000 2.120 133 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 133 R C 1.599 177.912 176.300 0.022 0.000 1.123 133 R CA 1.057 57.170 56.100 0.021 0.000 0.975 133 R CB -0.720 29.589 30.300 0.016 0.000 0.866 133 R HN 0.251 nan 8.270 nan 0.000 0.446 134 N N 0.119 118.829 118.700 0.017 0.000 2.494 134 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 134 N C 1.389 176.868 175.510 -0.051 0.000 1.076 134 N CA 0.978 54.016 53.050 -0.021 0.000 0.908 134 N CB 0.209 38.675 38.487 -0.036 0.000 0.967 134 N HN 0.297 nan 8.380 nan 0.000 0.449 135 M N -0.724 118.865 119.600 -0.017 0.000 2.534 135 M HA 0.218 4.698 4.480 -0.000 0.000 0.263 135 M C 2.045 178.349 176.300 0.007 0.000 1.152 135 M CA 0.039 55.331 55.300 -0.013 0.000 1.145 135 M CB 0.132 32.739 32.600 0.012 0.000 1.333 135 M HN 0.010 nan 8.290 nan 0.000 0.477 136 A N 0.541 123.374 122.820 0.022 0.000 1.869 136 A HA -0.289 4.030 4.320 -0.000 0.000 0.218 136 A C 1.865 179.475 177.584 0.043 0.000 1.203 136 A CA 2.540 54.595 52.037 0.031 0.000 0.638 136 A CB -1.163 17.861 19.000 0.041 0.000 0.831 136 A HN 0.516 nan 8.150 nan 0.000 0.450 137 H N -0.568 118.485 119.070 -0.029 0.000 2.357 137 H HA 0.125 4.681 4.556 -0.000 0.000 0.301 137 H C 2.279 177.584 175.328 -0.038 0.000 1.082 137 H CA 1.736 57.766 56.048 -0.030 0.000 1.342 137 H CB -0.348 29.400 29.762 -0.024 0.000 1.389 137 H HN 0.424 nan 8.280 nan 0.000 0.511 138 A N 0.742 123.542 122.820 -0.033 0.000 1.908 138 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 138 A C 2.416 179.922 177.584 -0.131 0.000 1.181 138 A CA 1.897 53.885 52.037 -0.082 0.000 0.627 138 A CB -0.581 18.404 19.000 -0.025 0.000 0.818 138 A HN 0.433 nan 8.150 nan 0.000 0.445 139 M N -0.612 118.938 119.600 -0.083 0.000 2.080 139 M HA -0.189 4.290 4.480 -0.000 0.000 0.260 139 M C 2.583 178.807 176.300 -0.127 0.000 1.068 139 M CA 1.705 56.959 55.300 -0.077 0.000 1.109 139 M CB -1.070 31.509 32.600 -0.034 0.000 1.342 139 M HN 0.515 nan 8.290 nan 0.000 0.405 140 A N 0.387 123.113 122.820 -0.156 0.000 1.902 140 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 140 A C 2.424 179.872 177.584 -0.226 0.000 1.181 140 A CA 2.024 53.955 52.037 -0.176 0.000 0.623 140 A CB -0.881 18.006 19.000 -0.189 0.000 0.818 140 A HN 0.503 nan 8.150 nan 0.000 0.443 141 A N -0.615 122.016 122.820 -0.314 0.000 1.933 141 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 141 A C 2.223 179.650 177.584 -0.262 0.000 1.175 141 A CA 1.780 53.646 52.037 -0.284 0.000 0.628 141 A CB -0.875 17.954 19.000 -0.284 0.000 0.814 141 A HN 0.382 nan 8.150 nan 0.000 0.444 142 V N 0.389 120.120 119.914 -0.304 0.000 2.343 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 142 V C 2.516 178.490 176.094 -0.200 0.000 1.051 142 V CA 2.109 64.179 62.300 -0.384 0.000 1.036 142 V CB -0.541 31.059 31.823 -0.371 0.000 0.654 142 V HN 0.425 nan 8.190 nan 0.000 0.451 143 K N 0.489 120.803 120.400 -0.143 0.000 2.057 143 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 143 K C 2.094 178.643 176.600 -0.084 0.000 1.050 143 K CA 1.414 57.645 56.287 -0.092 0.000 0.935 143 K CB -0.479 31.972 32.500 -0.082 0.000 0.715 143 K HN 0.478 nan 8.250 nan 0.000 0.439 144 K N 1.051 121.389 120.400 -0.104 0.000 2.103 144 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 144 K C 1.751 178.308 176.600 -0.071 0.000 1.048 144 K CA 1.427 57.664 56.287 -0.084 0.000 0.930 144 K CB -0.087 32.354 32.500 -0.099 0.000 0.716 144 K HN 0.058 nan 8.250 nan 0.000 0.444 145 A N 0.331 123.097 122.820 -0.090 0.000 2.235 145 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 145 A C 1.297 178.869 177.584 -0.021 0.000 1.172 145 A CA 0.881 52.882 52.037 -0.060 0.000 0.786 145 A CB -0.616 18.334 19.000 -0.084 0.000 0.804 145 A HN 0.627 nan 8.150 nan 0.000 0.479 146 G N -0.767 108.018 108.800 -0.024 0.000 2.160 146 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 146 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 146 G C 0.226 175.151 174.900 0.041 0.000 1.008 146 G CA 0.747 45.849 45.100 0.003 0.000 0.724 146 G HN 0.453 nan 8.290 nan 0.000 0.514 147 K N -0.585 119.850 120.400 0.058 0.000 2.416 147 K HA 0.498 4.818 4.320 -0.000 0.000 0.244 147 K C -0.039 176.674 176.600 0.188 0.000 1.044 147 K CA -1.016 55.372 56.287 0.169 0.000 0.972 147 K CB 0.578 33.270 32.500 0.320 0.000 1.286 147 K HN 0.376 nan 8.250 nan 0.000 0.500 148 H N -0.309 118.879 119.070 0.197 0.000 2.723 148 H HA 0.394 4.950 4.556 -0.000 0.000 0.294 148 H C -0.942 174.522 175.328 0.228 0.000 1.079 148 H CA -0.321 55.838 56.048 0.185 0.000 1.411 148 H CB 0.663 30.538 29.762 0.188 0.000 1.439 148 H HN 0.554 nan 8.280 nan 0.000 0.474 149 A N 5.295 128.165 122.820 0.083 0.000 2.260 149 A HA 0.179 4.498 4.320 -0.000 0.000 0.312 149 A C -0.254 177.435 177.584 0.175 0.000 1.321 149 A CA -0.664 51.457 52.037 0.139 0.000 0.928 149 A CB 0.347 19.352 19.000 0.008 0.000 1.158 149 A HN 0.862 nan 8.150 nan 0.000 0.542 150 Q N 3.028 123.014 119.800 0.311 0.000 2.431 150 Q HA 0.467 4.807 4.340 -0.000 0.000 0.249 150 Q C 0.379 176.481 176.000 0.170 0.000 1.025 150 Q CA -0.372 55.591 55.803 0.267 0.000 0.835 150 Q CB 0.893 29.817 28.738 0.309 0.000 1.207 150 Q HN 0.848 nan 8.270 nan 0.000 0.490 151 G N 2.429 111.296 108.800 0.110 0.000 2.441 151 G HA2 0.278 4.238 3.960 -0.000 0.000 0.243 151 G HA3 0.278 4.238 3.960 -0.000 0.000 0.243 151 G C -0.526 174.435 174.900 0.102 0.000 1.281 151 G CA -0.044 45.111 45.100 0.092 0.000 0.854 151 G HN 0.552 nan 8.290 nan 0.000 0.560 152 T N 1.580 116.212 114.554 0.129 0.000 2.856 152 T HA 0.490 4.840 4.350 -0.000 0.000 0.283 152 T C -0.066 174.721 174.700 0.145 0.000 1.008 152 T CA -0.196 61.984 62.100 0.133 0.000 0.997 152 T CB 1.474 70.451 68.868 0.180 0.000 0.992 152 T HN 0.330 nan 8.240 nan 0.000 0.454 153 I N 1.892 122.535 120.570 0.121 0.000 2.354 153 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 153 I C -0.187 176.010 176.117 0.133 0.000 1.007 153 I CA -0.641 60.752 61.300 0.154 0.000 1.167 153 I CB 1.021 39.112 38.000 0.152 0.000 1.320 153 I HN 0.575 nan 8.210 nan 0.000 0.458 154 C N 6.490 125.888 119.300 0.163 0.000 2.464 154 C HA 0.150 4.610 4.460 -0.000 0.000 0.370 154 C C 0.245 175.308 174.990 0.122 0.000 1.267 154 C CA -0.347 58.738 59.018 0.112 0.000 1.781 154 C CB -1.032 26.775 27.740 0.112 0.000 2.431 154 C HN 0.517 nan 8.230 nan 0.000 0.556 155 Y N 3.206 123.477 120.300 -0.047 0.000 2.346 155 Y HA 0.499 5.049 4.550 -0.000 0.000 0.330 155 Y C 0.680 176.551 175.900 -0.047 0.000 1.178 155 Y CA 0.949 58.986 58.100 -0.106 0.000 1.331 155 Y CB 0.798 39.147 38.460 -0.185 0.000 1.253 155 Y HN 0.716 nan 8.280 nan 0.000 0.529 156 T N 5.823 119.860 114.554 -0.862 0.000 2.769 156 T HA 0.554 4.904 4.350 -0.000 0.000 0.306 156 T C -1.663 172.592 174.700 -0.742 0.000 1.400 156 T CA -0.744 60.961 62.100 -0.659 0.000 1.007 156 T CB 0.653 69.236 68.868 -0.475 0.000 1.392 156 T HN 0.533 nan 8.240 nan 0.000 0.500 157 I N 3.208 123.561 120.570 -0.362 0.000 2.389 157 I HA 0.616 4.786 4.170 -0.000 0.000 0.288 157 I C -0.208 175.850 176.117 -0.099 0.000 0.999 157 I CA -0.441 60.758 61.300 -0.168 0.000 1.129 157 I CB 1.667 39.667 38.000 -0.000 0.000 1.288 157 I HN 0.743 nan 8.210 nan 0.000 0.444 158 S N 5.472 121.132 115.700 -0.068 0.000 2.588 158 S HA 0.487 4.957 4.470 -0.000 0.000 0.269 158 S C -2.589 171.855 174.600 -0.260 0.000 1.157 158 S CA -1.048 57.062 58.200 -0.151 0.000 0.824 158 S CB 1.905 65.060 63.200 -0.075 0.000 1.126 158 S HN 0.262 nan 8.310 nan 0.000 0.464 159 P HA -0.007 nan 4.420 nan 0.000 0.223 159 P C 1.215 178.305 177.300 -0.349 0.000 1.144 159 P CA 1.221 64.086 63.100 -0.392 0.000 0.783 159 P CB -0.105 31.334 31.700 -0.435 0.000 0.771 160 V N -6.476 113.174 119.914 -0.441 0.000 3.643 160 V HA 0.227 4.347 4.120 -0.000 0.000 0.280 160 V C 0.330 176.171 176.094 -0.422 0.000 1.351 160 V CA -0.069 62.021 62.300 -0.350 0.000 1.073 160 V CB -1.258 30.380 31.823 -0.308 0.000 0.863 160 V HN -0.008 nan 8.190 nan 0.000 0.436 161 H N 2.592 121.508 119.070 -0.257 0.000 2.604 161 H HA 0.703 5.259 4.556 -0.000 0.000 0.306 161 H C 0.616 175.795 175.328 -0.248 0.000 1.075 161 H CA 0.877 56.731 56.048 -0.324 0.000 1.357 161 H CB 1.275 30.869 29.762 -0.279 0.000 1.426 161 H HN 0.603 nan 8.280 nan 0.000 0.470 162 T N -1.213 113.187 114.554 -0.257 0.000 2.838 162 T HA 0.250 4.599 4.350 -0.000 0.000 0.292 162 T C 0.990 175.688 174.700 -0.003 0.000 1.113 162 T CA -0.843 61.216 62.100 -0.069 0.000 1.008 162 T CB 0.846 69.672 68.868 -0.070 0.000 1.259 162 T HN 0.213 nan 8.240 nan 0.000 0.520 163 V N 0.839 120.844 119.914 0.152 0.000 2.295 163 V HA -0.129 3.990 4.120 -0.000 0.000 0.246 163 V C 2.807 178.990 176.094 0.148 0.000 1.049 163 V CA 2.406 64.848 62.300 0.236 0.000 1.024 163 V CB -0.913 31.007 31.823 0.162 0.000 0.648 163 V HN 1.062 nan 8.190 nan 0.000 0.447 164 E N 0.323 120.558 120.200 0.058 0.000 2.118 164 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 164 E C 2.261 178.868 176.600 0.011 0.000 0.992 164 E CA 1.396 57.815 56.400 0.032 0.000 0.804 164 E CB -0.405 29.297 29.700 0.002 0.000 0.741 164 E HN 0.600 nan 8.360 nan 0.000 0.458 165 G N -0.455 108.298 108.800 -0.078 0.000 2.422 165 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 165 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 165 G C 1.164 176.010 174.900 -0.090 0.000 1.146 165 G CA 0.807 45.812 45.100 -0.158 0.000 0.769 165 G HN 0.341 nan 8.290 nan 0.000 0.547 166 Y N -0.040 120.323 120.300 0.106 0.000 2.263 166 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 166 Y C 2.982 178.959 175.900 0.129 0.000 1.130 166 Y CA 0.275 58.455 58.100 0.133 0.000 1.179 166 Y CB -0.011 38.548 38.460 0.164 0.000 0.998 166 Y HN 0.039 nan 8.280 nan 0.000 0.532 167 V N 0.679 120.754 119.914 0.269 0.000 2.407 167 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 167 V C 2.329 178.592 176.094 0.282 0.000 1.055 167 V CA 2.055 64.511 62.300 0.259 0.000 1.049 167 V CB -0.493 31.422 31.823 0.154 0.000 0.662 167 V HN 0.348 nan 8.190 nan 0.000 0.455 168 K N -0.163 120.345 120.400 0.180 0.000 2.057 168 K HA -0.149 4.170 4.320 -0.000 0.000 0.207 168 K C 2.240 178.917 176.600 0.128 0.000 1.049 168 K CA 1.464 57.839 56.287 0.147 0.000 0.931 168 K CB -0.177 32.366 32.500 0.071 0.000 0.714 168 K HN 0.398 nan 8.250 nan 0.000 0.440 169 L N 0.629 121.930 121.223 0.130 0.000 2.046 169 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 169 L C 2.481 179.399 176.870 0.080 0.000 1.077 169 L CA 1.388 56.297 54.840 0.115 0.000 0.747 169 L CB -0.485 41.679 42.059 0.175 0.000 0.896 169 L HN 0.343 nan 8.230 nan 0.000 0.432 170 A N -0.146 122.735 122.820 0.101 0.000 1.908 170 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 170 A C 2.281 179.726 177.584 -0.232 0.000 1.181 170 A CA 1.817 53.848 52.037 -0.009 0.000 0.627 170 A CB -1.280 17.769 19.000 0.081 0.000 0.818 170 A HN 0.517 nan 8.150 nan 0.000 0.445 171 G N -1.013 107.658 108.800 -0.216 0.000 2.418 171 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 171 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 171 G C 1.592 176.400 174.900 -0.153 0.000 1.158 171 G CA 0.966 45.856 45.100 -0.349 0.000 0.771 171 G HN 0.649 nan 8.290 nan 0.000 0.545 172 Q N -0.270 119.503 119.800 -0.044 0.000 2.124 172 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 172 Q C 2.618 178.596 176.000 -0.036 0.000 0.977 172 Q CA 0.763 56.555 55.803 -0.019 0.000 0.850 172 Q CB -0.215 28.531 28.738 0.014 0.000 0.901 172 Q HN 0.442 nan 8.270 nan 0.000 0.429 173 L N 0.069 121.263 121.223 -0.047 0.000 2.072 173 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 173 L C 2.224 179.050 176.870 -0.073 0.000 1.079 173 L CA 0.810 55.627 54.840 -0.038 0.000 0.752 173 L CB -0.303 41.746 42.059 -0.017 0.000 0.906 173 L HN 0.251 nan 8.230 nan 0.000 0.436 174 L N -0.453 120.684 121.223 -0.142 0.000 2.131 174 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 174 L C 2.036 178.846 176.870 -0.100 0.000 1.092 174 L CA 0.888 55.637 54.840 -0.153 0.000 0.759 174 L CB -0.539 41.352 42.059 -0.280 0.000 0.903 174 L HN 0.289 nan 8.230 nan 0.000 0.435 175 D N 0.274 120.623 120.400 -0.086 0.000 2.264 175 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 175 D C 1.860 178.140 176.300 -0.033 0.000 0.966 175 D CA 1.132 55.104 54.000 -0.046 0.000 0.864 175 D CB 0.000 40.783 40.800 -0.028 0.000 0.933 175 D HN 0.480 nan 8.370 nan 0.000 0.499 176 M N -2.512 117.068 119.600 -0.034 0.000 2.626 176 M HA 0.418 4.898 4.480 -0.000 0.000 0.262 176 M C 0.896 177.175 176.300 -0.035 0.000 1.256 176 M CA 0.197 55.481 55.300 -0.025 0.000 0.981 176 M CB 0.598 33.189 32.600 -0.014 0.000 1.492 176 M HN -0.078 nan 8.290 nan 0.000 0.474 177 G N 0.720 109.494 108.800 -0.043 0.000 2.143 177 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 177 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 177 G C 0.238 175.102 174.900 -0.060 0.000 0.981 177 G CA 0.019 45.089 45.100 -0.050 0.000 0.665 177 G HN 1.046 nan 8.290 nan 0.000 0.528 178 A N 0.045 122.832 122.820 -0.055 0.000 2.567 178 A HA 0.444 4.764 4.320 -0.000 0.000 0.240 178 A C 1.255 178.787 177.584 -0.086 0.000 1.053 178 A CA 1.018 53.023 52.037 -0.052 0.000 0.755 178 A CB 0.272 19.253 19.000 -0.031 0.000 0.978 178 A HN 0.288 nan 8.150 nan 0.000 0.507 179 D N 0.179 120.485 120.400 -0.156 0.000 2.289 179 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 179 D C 0.660 176.896 176.300 -0.107 0.000 0.966 179 D CA 1.615 55.459 54.000 -0.260 0.000 0.868 179 D CB 0.194 40.554 40.800 -0.733 0.000 0.943 179 D HN 0.700 nan 8.370 nan 0.000 0.514 180 S N -0.492 115.220 115.700 0.020 0.000 2.588 180 S HA 0.506 4.976 4.470 -0.000 0.000 0.269 180 S C -1.280 173.363 174.600 0.073 0.000 1.157 180 S CA -0.975 57.289 58.200 0.108 0.000 0.824 180 S CB 1.977 65.350 63.200 0.288 0.000 1.126 180 S HN -0.124 nan 8.310 nan 0.000 0.464 181 I N 1.430 122.018 120.570 0.031 0.000 2.433 181 I HA 0.668 4.838 4.170 -0.000 0.000 0.292 181 I C 0.214 176.341 176.117 0.016 0.000 1.001 181 I CA -0.732 60.581 61.300 0.023 0.000 1.119 181 I CB 1.181 39.182 38.000 0.002 0.000 1.289 181 I HN 1.020 nan 8.210 nan 0.000 0.438 182 A N 6.787 129.627 122.820 0.034 0.000 2.288 182 A HA 0.649 4.969 4.320 -0.000 0.000 0.320 182 A C -0.866 176.727 177.584 0.015 0.000 1.217 182 A CA -0.508 51.539 52.037 0.017 0.000 0.840 182 A CB 1.003 20.019 19.000 0.026 0.000 1.179 182 A HN 0.564 nan 8.150 nan 0.000 0.504 183 L N 2.607 123.826 121.223 -0.006 0.000 2.262 183 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 183 L C 0.039 176.919 176.870 0.017 0.000 1.035 183 L CA 0.083 54.912 54.840 -0.019 0.000 0.820 183 L CB 0.710 42.720 42.059 -0.083 0.000 1.204 183 L HN 0.646 nan 8.230 nan 0.000 0.424 184 K N 3.598 124.024 120.400 0.043 0.000 2.483 184 K HA 0.327 4.647 4.320 -0.000 0.000 0.256 184 K C -1.260 175.407 176.600 0.112 0.000 0.961 184 K CA -0.417 55.917 56.287 0.079 0.000 0.873 184 K CB 0.995 33.470 32.500 -0.042 0.000 1.107 184 K HN 0.566 nan 8.250 nan 0.000 0.432 185 D N 5.723 126.226 120.400 0.171 0.000 2.551 185 D HA 0.087 4.727 4.640 -0.000 0.000 0.294 185 D C 0.844 177.215 176.300 0.119 0.000 1.201 185 D CA -0.334 53.753 54.000 0.144 0.000 0.941 185 D CB 0.643 41.495 40.800 0.086 0.000 0.995 185 D HN 0.706 nan 8.370 nan 0.000 0.502 186 M N 1.582 121.192 119.600 0.017 0.000 2.358 186 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 186 M C 1.009 177.085 176.300 -0.374 0.000 1.064 186 M CA 1.430 56.579 55.300 -0.253 0.000 1.093 186 M CB 0.320 32.771 32.600 -0.248 0.000 1.401 186 M HN 0.317 nan 8.290 nan 0.000 0.440 187 A N -0.511 122.222 122.820 -0.145 0.000 2.430 187 A HA 0.600 4.919 4.320 -0.000 0.000 0.243 187 A C 1.064 178.583 177.584 -0.110 0.000 1.254 187 A CA 0.469 52.413 52.037 -0.154 0.000 0.914 187 A CB -0.415 18.507 19.000 -0.129 0.000 0.998 187 A HN 0.900 nan 8.150 nan 0.000 0.515 188 A N -1.080 121.723 122.820 -0.029 0.000 2.846 188 A HA -0.168 4.152 4.320 -0.000 0.000 0.287 188 A C 0.877 178.483 177.584 0.035 0.000 1.469 188 A CA 1.163 53.206 52.037 0.010 0.000 0.757 188 A CB -2.383 16.605 19.000 -0.019 0.000 1.033 188 A HN 0.626 nan 8.150 nan 0.000 0.516 189 L N -1.495 119.802 121.223 0.123 0.000 2.529 189 L HA 0.193 4.533 4.340 -0.000 0.000 0.223 189 L C 1.044 178.204 176.870 0.483 0.000 1.113 189 L CA 0.113 55.127 54.840 0.290 0.000 0.861 189 L CB 0.115 42.329 42.059 0.258 0.000 1.012 189 L HN 0.606 nan 8.230 nan 0.000 0.461 190 L N 1.656 123.006 121.223 0.212 0.000 2.385 190 L HA 0.122 4.462 4.340 -0.000 0.000 0.281 190 L C 0.276 177.148 176.870 0.004 0.000 1.106 190 L CA 0.465 55.227 54.840 -0.130 0.000 0.856 190 L CB -0.025 41.752 42.059 -0.470 0.000 1.186 190 L HN -0.025 nan 8.230 nan 0.000 0.453 191 K N 5.964 126.379 120.400 0.024 0.000 2.098 191 K HA 0.333 4.653 4.320 -0.000 0.000 0.244 191 K C -1.746 174.832 176.600 -0.038 0.000 1.014 191 K CA -1.499 54.783 56.287 -0.008 0.000 0.917 191 K CB 0.547 33.009 32.500 -0.064 0.000 1.072 191 K HN 0.321 nan 8.250 nan 0.000 0.477 192 P HA -0.241 nan 4.420 nan 0.000 0.214 192 P C 1.209 178.512 177.300 0.004 0.000 1.163 192 P CA 1.432 64.519 63.100 -0.021 0.000 0.889 192 P CB 0.269 31.952 31.700 -0.028 0.000 0.790 193 Q N -0.733 119.065 119.800 -0.004 0.000 2.046 193 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 193 Q C -0.644 175.401 176.000 0.076 0.000 0.975 193 Q CA 2.460 58.279 55.803 0.025 0.000 0.836 193 Q CB -1.948 26.788 28.738 -0.003 0.000 0.896 193 Q HN 0.189 nan 8.270 nan 0.000 0.428 194 P HA -0.118 nan 4.420 nan 0.000 0.216 194 P C 0.611 177.900 177.300 -0.019 0.000 1.150 194 P CA 2.002 65.130 63.100 0.046 0.000 0.837 194 P CB -0.264 31.471 31.700 0.059 0.000 0.786 195 A N -1.192 121.587 122.820 -0.068 0.000 1.883 195 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 195 A C 2.304 179.870 177.584 -0.031 0.000 1.186 195 A CA 1.693 53.665 52.037 -0.108 0.000 0.624 195 A CB -1.958 16.983 19.000 -0.099 0.000 0.822 195 A HN 0.183 nan 8.150 nan 0.000 0.444 196 Y N 1.075 121.331 120.300 -0.073 0.000 2.114 196 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 196 Y C 1.984 177.865 175.900 -0.030 0.000 1.143 196 Y CA 2.203 60.273 58.100 -0.050 0.000 1.135 196 Y CB -0.187 38.252 38.460 -0.036 0.000 0.980 196 Y HN 0.356 nan 8.280 nan 0.000 0.499 197 D N 0.311 120.811 120.400 0.166 0.000 2.117 197 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 197 D C 2.280 178.583 176.300 0.004 0.000 0.987 197 D CA 1.963 56.024 54.000 0.102 0.000 0.829 197 D CB -0.370 40.519 40.800 0.149 0.000 0.961 197 D HN 0.471 nan 8.370 nan 0.000 0.460 198 I N 0.709 121.284 120.570 0.009 0.000 2.202 198 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 198 I C 2.221 178.313 176.117 -0.041 0.000 1.091 198 I CA 0.481 61.791 61.300 0.017 0.000 1.368 198 I CB -0.054 37.941 38.000 -0.009 0.000 1.058 198 I HN -0.037 nan 8.210 nan 0.000 0.410 199 I N 0.922 121.427 120.570 -0.109 0.000 2.179 199 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 199 I C 2.533 178.559 176.117 -0.152 0.000 1.088 199 I CA 1.597 62.819 61.300 -0.130 0.000 1.357 199 I CB -1.162 36.736 38.000 -0.171 0.000 1.051 199 I HN 0.202 nan 8.210 nan 0.000 0.409 200 K N 1.575 121.820 120.400 -0.259 0.000 2.057 200 K HA -0.069 4.250 4.320 -0.000 0.000 0.207 200 K C 2.097 178.619 176.600 -0.130 0.000 1.049 200 K CA 1.688 57.812 56.287 -0.271 0.000 0.931 200 K CB -0.427 31.786 32.500 -0.477 0.000 0.714 200 K HN 0.252 nan 8.250 nan 0.000 0.440 201 A N 0.421 123.193 122.820 -0.081 0.000 1.930 201 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 201 A C 2.213 179.782 177.584 -0.024 0.000 1.175 201 A CA 1.507 53.522 52.037 -0.035 0.000 0.627 201 A CB -0.558 18.448 19.000 0.010 0.000 0.815 201 A HN 0.330 nan 8.150 nan 0.000 0.443 202 I N -0.771 119.811 120.570 0.021 0.000 2.286 202 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 202 I C 2.298 178.466 176.117 0.087 0.000 1.104 202 I CA 1.031 62.399 61.300 0.114 0.000 1.397 202 I CB -0.260 37.822 38.000 0.136 0.000 1.072 202 I HN 0.169 nan 8.210 nan 0.000 0.417 203 K N 0.646 121.052 120.400 0.011 0.000 2.097 203 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 203 K C 1.601 178.188 176.600 -0.023 0.000 1.050 203 K CA 1.339 57.624 56.287 -0.002 0.000 0.938 203 K CB -0.418 32.054 32.500 -0.046 0.000 0.718 203 K HN 0.294 nan 8.250 nan 0.000 0.442 204 D N 0.007 120.374 120.400 -0.056 0.000 2.149 204 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 204 D C 1.718 177.949 176.300 -0.114 0.000 0.972 204 D CA 1.141 55.100 54.000 -0.069 0.000 0.835 204 D CB -0.018 40.742 40.800 -0.066 0.000 0.966 204 D HN 0.160 nan 8.370 nan 0.000 0.476 205 T N -0.710 113.725 114.554 -0.197 0.000 2.851 205 T HA -0.065 4.284 4.350 -0.000 0.000 0.262 205 T C 1.408 175.799 174.700 -0.515 0.000 1.043 205 T CA 0.775 62.618 62.100 -0.428 0.000 1.140 205 T CB -0.151 68.303 68.868 -0.691 0.000 0.872 205 T HN 0.249 nan 8.240 nan 0.000 0.446 206 Y N 0.745 121.045 120.300 -0.001 0.000 2.467 206 Y HA 0.475 5.025 4.550 -0.000 0.000 0.250 206 Y C 1.307 177.205 175.900 -0.003 0.000 1.155 206 Y CA -0.193 57.907 58.100 0.000 0.000 1.249 206 Y CB 0.733 39.194 38.460 0.003 0.000 1.146 206 Y HN 0.345 nan 8.280 nan 0.000 0.524 207 G N 0.375 109.223 108.800 0.081 0.000 2.617 207 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.686 207 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.686 207 G C -0.071 174.855 174.900 0.043 0.000 1.214 207 G CA -0.783 44.348 45.100 0.051 0.000 0.796 207 G HN -0.038 nan 8.290 nan 0.000 0.654 208 Q N 0.304 120.117 119.800 0.021 0.000 2.291 208 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 208 Q C 2.522 178.530 176.000 0.013 0.000 0.970 208 Q CA 1.859 57.669 55.803 0.010 0.000 0.876 208 Q CB -0.150 28.592 28.738 0.007 0.000 0.935 208 Q HN 0.919 nan 8.270 nan 0.000 0.455 209 K N 0.054 120.468 120.400 0.023 0.000 2.439 209 K HA 0.030 4.350 4.320 -0.000 0.000 0.197 209 K C 0.196 176.808 176.600 0.021 0.000 1.041 209 K CA 0.496 56.796 56.287 0.022 0.000 0.970 209 K CB -0.132 32.385 32.500 0.027 0.000 0.773 209 K HN -0.184 nan 8.250 nan 0.000 0.479 210 T N 2.794 117.366 114.554 0.030 0.000 2.784 210 T HA -0.043 4.307 4.350 -0.000 0.000 0.291 210 T C -0.394 174.304 174.700 -0.004 0.000 0.942 210 T CA -0.056 62.059 62.100 0.025 0.000 1.161 210 T CB 0.915 69.822 68.868 0.065 0.000 0.885 210 T HN 0.288 nan 8.240 nan 0.000 0.534 211 Q N 3.881 123.673 119.800 -0.013 0.000 2.288 211 Q HA 0.425 4.765 4.340 -0.000 0.000 0.258 211 Q C -0.961 175.001 176.000 -0.063 0.000 0.957 211 Q CA -0.254 55.519 55.803 -0.051 0.000 0.919 211 Q CB 0.367 29.083 28.738 -0.036 0.000 1.185 211 Q HN 0.645 nan 8.270 nan 0.000 0.408 212 I N 3.962 124.471 120.570 -0.102 0.000 2.466 212 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 212 I C -0.605 175.422 176.117 -0.150 0.000 1.026 212 I CA -0.694 60.549 61.300 -0.095 0.000 1.078 212 I CB 2.032 39.987 38.000 -0.076 0.000 1.249 212 I HN 0.622 nan 8.210 nan 0.000 0.429 213 N N 5.875 124.494 118.700 -0.135 0.000 2.392 213 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 213 N C -1.352 174.111 175.510 -0.079 0.000 1.003 213 N CA -0.746 52.213 53.050 -0.151 0.000 0.892 213 N CB 2.712 41.104 38.487 -0.159 0.000 1.193 213 N HN 0.260 nan 8.380 nan 0.000 0.487 214 L N 2.786 123.962 121.223 -0.078 0.000 2.282 214 L HA 0.298 4.638 4.340 -0.000 0.000 0.288 214 L C -0.746 176.123 176.870 -0.001 0.000 1.033 214 L CA -0.461 54.348 54.840 -0.051 0.000 0.807 214 L CB 0.448 42.453 42.059 -0.090 0.000 1.209 214 L HN 0.563 nan 8.230 nan 0.000 0.423 215 H N 4.476 123.508 119.070 -0.064 0.000 2.718 215 H HA 0.537 5.093 4.556 -0.000 0.000 0.295 215 H C -1.341 173.997 175.328 0.017 0.000 1.051 215 H CA -0.345 55.682 56.048 -0.035 0.000 1.260 215 H CB 0.702 30.445 29.762 -0.030 0.000 1.403 215 H HN 0.750 nan 8.280 nan 0.000 0.488 216 C N 5.393 124.544 119.300 -0.248 0.000 2.455 216 C HA 0.349 4.809 4.460 -0.000 0.000 0.320 216 C C 0.109 174.998 174.990 -0.169 0.000 1.226 216 C CA -0.707 58.236 59.018 -0.126 0.000 1.569 216 C CB 0.733 28.424 27.740 -0.082 0.000 2.200 216 C HN 0.877 nan 8.230 nan 0.000 0.491 217 H N 0.877 119.829 119.070 -0.196 0.000 2.544 217 H HA 0.196 4.752 4.556 -0.000 0.000 0.365 217 H C 0.782 176.007 175.328 -0.172 0.000 1.268 217 H CA 0.338 56.226 56.048 -0.268 0.000 1.400 217 H CB 1.240 30.835 29.762 -0.278 0.000 1.538 217 H HN 0.739 nan 8.280 nan 0.000 0.597 218 S N -0.663 114.985 115.700 -0.086 0.000 2.593 218 S HA 0.002 4.472 4.470 -0.000 0.000 0.236 218 S C 1.301 175.881 174.600 -0.033 0.000 0.991 218 S CA -0.195 57.975 58.200 -0.049 0.000 0.963 218 S CB -0.060 63.104 63.200 -0.060 0.000 0.865 218 S HN 0.553 nan 8.310 nan 0.000 0.488 219 T N 3.275 117.807 114.554 -0.036 0.000 2.653 219 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 219 T C 2.072 176.740 174.700 -0.053 0.000 1.035 219 T CA 2.486 64.555 62.100 -0.052 0.000 1.154 219 T CB -1.030 67.790 68.868 -0.080 0.000 0.862 219 T HN 0.826 nan 8.240 nan 0.000 0.441 220 T N -1.507 113.015 114.554 -0.054 0.000 3.100 220 T HA 0.411 4.761 4.350 -0.000 0.000 0.253 220 T C 1.801 176.544 174.700 0.071 0.000 1.118 220 T CA 0.722 62.805 62.100 -0.027 0.000 1.058 220 T CB -0.119 68.694 68.868 -0.092 0.000 0.953 220 T HN 0.635 nan 8.240 nan 0.000 0.515 221 G N 0.987 109.815 108.800 0.047 0.000 2.148 221 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 221 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 221 G C 0.795 175.735 174.900 0.067 0.000 0.981 221 G CA 0.661 45.790 45.100 0.050 0.000 0.670 221 G HN 1.455 nan 8.290 nan 0.000 0.528 222 V N -2.384 117.590 119.914 0.100 0.000 3.605 222 V HA 0.358 4.478 4.120 -0.000 0.000 0.284 222 V C 2.188 178.312 176.094 0.051 0.000 1.386 222 V CA 1.798 64.149 62.300 0.085 0.000 1.053 222 V CB 0.026 31.925 31.823 0.128 0.000 0.857 222 V HN 0.797 nan 8.190 nan 0.000 0.436 223 T N -2.655 111.924 114.554 0.041 0.000 3.055 223 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 223 T C 1.585 176.278 174.700 -0.012 0.000 1.111 223 T CA 1.407 63.513 62.100 0.008 0.000 1.118 223 T CB -0.179 68.686 68.868 -0.004 0.000 0.909 223 T HN 0.640 nan 8.240 nan 0.000 0.501 224 E N 0.679 120.875 120.200 -0.005 0.000 2.208 224 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 224 E C 1.891 178.486 176.600 -0.009 0.000 0.988 224 E CA 0.602 56.996 56.400 -0.010 0.000 0.828 224 E CB -0.073 29.626 29.700 -0.001 0.000 0.763 224 E HN 0.420 nan 8.360 nan 0.000 0.478 225 V N 0.391 120.303 119.914 -0.004 0.000 2.548 225 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 225 V C 2.222 178.308 176.094 -0.013 0.000 1.055 225 V CA 1.660 63.957 62.300 -0.005 0.000 1.065 225 V CB -0.189 31.631 31.823 -0.004 0.000 0.681 225 V HN 0.225 nan 8.190 nan 0.000 0.462 226 S N 0.212 115.901 115.700 -0.019 0.000 2.383 226 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 226 S C 1.892 176.466 174.600 -0.045 0.000 1.026 226 S CA 1.214 59.394 58.200 -0.034 0.000 0.981 226 S CB -0.325 62.846 63.200 -0.048 0.000 0.818 226 S HN 0.348 nan 8.310 nan 0.000 0.472 227 L N 0.919 122.113 121.223 -0.048 0.000 2.046 227 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 227 L C 2.384 179.216 176.870 -0.063 0.000 1.077 227 L CA 1.603 56.406 54.840 -0.061 0.000 0.747 227 L CB -0.740 41.286 42.059 -0.054 0.000 0.896 227 L HN 0.307 nan 8.230 nan 0.000 0.432 228 M N -1.048 118.529 119.600 -0.040 0.000 2.117 228 M HA -0.182 4.297 4.480 -0.000 0.000 0.262 228 M C 2.074 178.356 176.300 -0.030 0.000 1.065 228 M CA 1.721 57.000 55.300 -0.035 0.000 1.114 228 M CB -0.285 32.315 32.600 0.000 0.000 1.361 228 M HN -0.060 nan 8.290 nan 0.000 0.408 229 K N 0.143 120.545 120.400 0.003 0.000 2.097 229 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 229 K C 2.068 178.713 176.600 0.074 0.000 1.049 229 K CA 1.497 57.829 56.287 0.074 0.000 0.933 229 K CB -1.017 31.528 32.500 0.075 0.000 0.717 229 K HN 0.486 nan 8.250 nan 0.000 0.442 230 A N 1.204 124.009 122.820 -0.025 0.000 1.930 230 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 230 A C 2.252 179.752 177.584 -0.139 0.000 1.175 230 A CA 1.098 53.083 52.037 -0.086 0.000 0.627 230 A CB -0.490 18.446 19.000 -0.108 0.000 0.815 230 A HN 0.194 nan 8.150 nan 0.000 0.443 231 I N -0.474 119.987 120.570 -0.181 0.000 2.315 231 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 231 I C 2.349 178.219 176.117 -0.412 0.000 1.117 231 I CA 1.335 62.427 61.300 -0.347 0.000 1.404 231 I CB -0.375 37.356 38.000 -0.448 0.000 1.071 231 I HN 0.409 nan 8.210 nan 0.000 0.419 232 E N 0.968 121.049 120.200 -0.199 0.000 2.204 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 232 E C 2.133 178.773 176.600 0.067 0.000 0.990 232 E CA 1.139 57.554 56.400 0.025 0.000 0.821 232 E CB -0.126 29.693 29.700 0.199 0.000 0.750 232 E HN 0.498 nan 8.360 nan 0.000 0.477 233 A N 0.185 122.968 122.820 -0.062 0.000 2.208 233 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 233 A C 1.690 179.149 177.584 -0.208 0.000 1.161 233 A CA 0.872 52.715 52.037 -0.325 0.000 0.782 233 A CB -0.057 18.612 19.000 -0.552 0.000 0.816 233 A HN 0.332 nan 8.150 nan 0.000 0.477 234 G N -1.597 107.110 108.800 -0.154 0.000 2.138 234 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.193 234 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.193 234 G C 0.269 175.091 174.900 -0.130 0.000 0.998 234 G CA 0.032 45.060 45.100 -0.120 0.000 0.668 234 G HN 1.042 nan 8.290 nan 0.000 0.516 235 V N 0.810 120.630 119.914 -0.156 0.000 2.788 235 V HA 0.196 4.316 4.120 -0.000 0.000 0.307 235 V C 1.387 177.389 176.094 -0.154 0.000 1.069 235 V CA 1.244 63.455 62.300 -0.148 0.000 1.173 235 V CB 0.781 32.514 31.823 -0.149 0.000 0.925 235 V HN 0.388 nan 8.190 nan 0.000 0.492 236 D N 3.631 123.932 120.400 -0.165 0.000 2.216 236 D HA 0.082 4.722 4.640 -0.000 0.000 0.208 236 D C -0.004 176.149 176.300 -0.244 0.000 0.960 236 D CA 1.101 54.985 54.000 -0.194 0.000 0.861 236 D CB 0.689 41.353 40.800 -0.226 0.000 0.985 236 D HN 0.381 nan 8.370 nan 0.000 0.493 237 V N 1.163 120.917 119.914 -0.267 0.000 2.888 237 V HA 0.326 4.446 4.120 -0.000 0.000 0.309 237 V C -0.419 175.577 176.094 -0.164 0.000 1.114 237 V CA -0.966 61.179 62.300 -0.258 0.000 0.940 237 V CB 2.707 34.250 31.823 -0.467 0.000 1.021 237 V HN -0.009 nan 8.190 nan 0.000 0.426 238 V N -0.689 119.162 119.914 -0.104 0.000 2.735 238 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 238 V C -1.119 174.941 176.094 -0.057 0.000 1.061 238 V CA -0.726 61.526 62.300 -0.080 0.000 0.913 238 V CB 2.114 33.890 31.823 -0.079 0.000 1.005 238 V HN 0.736 nan 8.190 nan 0.000 0.428 239 D N 2.925 123.286 120.400 -0.066 0.000 2.210 239 D HA 0.705 5.345 4.640 -0.000 0.000 0.249 239 D C 0.416 176.620 176.300 -0.160 0.000 1.078 239 D CA 0.256 54.200 54.000 -0.094 0.000 0.875 239 D CB 1.865 42.649 40.800 -0.027 0.000 1.175 239 D HN 1.110 nan 8.370 nan 0.000 0.440 240 T N -2.018 112.431 114.554 -0.175 0.000 2.841 240 T HA 0.838 5.188 4.350 -0.000 0.000 0.296 240 T C -1.097 173.473 174.700 -0.217 0.000 1.166 240 T CA -1.090 60.918 62.100 -0.152 0.000 1.007 240 T CB 1.713 70.548 68.868 -0.056 0.000 1.253 240 T HN 0.303 nan 8.240 nan 0.000 0.511 241 A N 1.136 123.867 122.820 -0.149 0.000 2.371 241 A HA 0.735 5.055 4.320 -0.000 0.000 0.311 241 A C -0.268 177.269 177.584 -0.079 0.000 1.068 241 A CA -0.841 51.100 52.037 -0.161 0.000 0.744 241 A CB 0.688 19.621 19.000 -0.112 0.000 1.239 241 A HN 1.016 nan 8.150 nan 0.000 0.435 242 I N 2.480 122.999 120.570 -0.084 0.000 3.017 242 I HA -0.131 4.039 4.170 -0.000 0.000 0.310 242 I C 1.952 178.075 176.117 0.011 0.000 1.220 242 I CA 1.505 62.806 61.300 0.002 0.000 1.450 242 I CB 0.692 38.707 38.000 0.025 0.000 1.317 242 I HN 0.899 nan 8.210 nan 0.000 0.570 243 S N 3.415 119.146 115.700 0.051 0.000 2.392 243 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 243 S C 1.687 176.316 174.600 0.049 0.000 1.041 243 S CA 1.454 59.685 58.200 0.052 0.000 1.026 243 S CB -1.042 62.202 63.200 0.073 0.000 0.845 243 S HN 0.863 nan 8.310 nan 0.000 0.465 244 S N 0.494 116.234 115.700 0.067 0.000 2.603 244 S HA 0.259 4.729 4.470 -0.000 0.000 0.229 244 S C 0.912 175.546 174.600 0.058 0.000 0.972 244 S CA 0.213 58.460 58.200 0.079 0.000 0.935 244 S CB -0.356 62.918 63.200 0.124 0.000 0.769 244 S HN 0.478 nan 8.310 nan 0.000 0.536 245 M N 2.463 122.067 119.600 0.008 0.000 3.200 245 M HA 0.344 4.824 4.480 -0.000 0.000 0.335 245 M C -0.370 175.914 176.300 -0.027 0.000 1.446 245 M CA -0.031 55.249 55.300 -0.033 0.000 0.691 245 M CB 0.363 32.871 32.600 -0.154 0.000 1.409 245 M HN 0.435 nan 8.290 nan 0.000 0.488 246 S N -0.304 115.394 115.700 -0.003 0.000 2.732 246 S HA 0.945 5.414 4.470 -0.000 0.000 0.293 246 S C -0.001 174.594 174.600 -0.008 0.000 1.159 246 S CA -0.737 57.461 58.200 -0.002 0.000 0.847 246 S CB 2.401 65.603 63.200 0.003 0.000 1.169 246 S HN 0.489 nan 8.310 nan 0.000 0.501 247 L N -0.577 120.631 121.223 -0.025 0.000 1.485 247 L HA 0.055 4.395 4.340 -0.000 0.000 0.352 247 L C 1.127 177.972 176.870 -0.041 0.000 1.031 247 L CA 0.394 55.217 54.840 -0.029 0.000 1.221 247 L CB -1.597 40.458 42.059 -0.007 0.000 0.496 247 L HN 1.959 nan 8.230 nan 0.000 0.226 248 G N -0.055 108.727 108.800 -0.030 0.000 2.566 248 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.280 248 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.280 248 G C -1.721 173.150 174.900 -0.050 0.000 1.225 248 G CA 0.306 45.388 45.100 -0.029 0.000 0.966 248 G HN 0.716 nan 8.290 nan 0.000 0.560 249 P HA 0.141 nan 4.420 nan 0.000 0.247 249 P C 1.319 178.584 177.300 -0.057 0.000 1.225 249 P CA 1.628 64.706 63.100 -0.037 0.000 0.768 249 P CB -0.181 31.502 31.700 -0.027 0.000 1.020 250 G N -0.099 108.598 108.800 -0.171 0.000 3.086 250 G HA2 0.247 4.206 3.960 -0.000 0.000 0.159 250 G HA3 0.247 4.206 3.960 -0.000 0.000 0.159 250 G C -0.641 173.764 174.900 -0.823 0.000 1.654 250 G CA -0.078 44.769 45.100 -0.423 0.000 1.078 250 G HN 0.223 nan 8.290 nan 0.000 0.558 251 H N -1.496 117.434 119.070 -0.233 0.000 2.906 251 H HA 0.401 4.957 4.556 -0.000 0.000 0.337 251 H C -0.263 174.970 175.328 -0.158 0.000 1.257 251 H CA -1.000 54.882 56.048 -0.276 0.000 1.192 251 H CB 0.736 30.271 29.762 -0.379 0.000 1.912 251 H HN 0.229 nan 8.280 nan 0.000 0.573 252 N N 1.942 120.636 118.700 -0.011 0.000 2.508 252 N HA 0.121 4.861 4.740 -0.000 0.000 0.264 252 N C -2.500 173.006 175.510 -0.006 0.000 1.216 252 N CA -1.123 51.917 53.050 -0.015 0.000 0.943 252 N CB 0.347 38.820 38.487 -0.024 0.000 1.113 252 N HN 0.315 nan 8.380 nan 0.000 0.447 253 P HA 0.118 nan 4.420 nan 0.000 0.271 253 P C 0.593 177.910 177.300 0.030 0.000 1.220 253 P CA -0.082 63.029 63.100 0.019 0.000 0.768 253 P CB 0.510 32.230 31.700 0.034 0.000 0.848 254 T N 1.985 116.559 114.554 0.034 0.000 2.635 254 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 254 T C 1.305 176.053 174.700 0.080 0.000 1.040 254 T CA 1.829 63.967 62.100 0.062 0.000 1.156 254 T CB -0.556 68.377 68.868 0.108 0.000 0.863 254 T HN 0.520 nan 8.240 nan 0.000 0.430 255 E N 1.002 121.264 120.200 0.103 0.000 2.110 255 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 255 E C 2.589 179.281 176.600 0.153 0.000 0.988 255 E CA 1.206 57.700 56.400 0.156 0.000 0.804 255 E CB -0.251 29.558 29.700 0.182 0.000 0.745 255 E HN 0.296 nan 8.360 nan 0.000 0.458 256 S N 0.046 115.807 115.700 0.101 0.000 2.356 256 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 256 S C 2.144 176.789 174.600 0.075 0.000 1.032 256 S CA 0.997 59.245 58.200 0.080 0.000 1.005 256 S CB -0.236 62.996 63.200 0.053 0.000 0.867 256 S HN 0.056 nan 8.310 nan 0.000 0.449 257 V N 1.893 121.844 119.914 0.061 0.000 2.407 257 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 257 V C 2.575 178.710 176.094 0.069 0.000 1.055 257 V CA 1.640 63.968 62.300 0.047 0.000 1.049 257 V CB -1.104 30.733 31.823 0.023 0.000 0.662 257 V HN 0.536 nan 8.190 nan 0.000 0.455 258 A N -0.598 122.277 122.820 0.092 0.000 1.898 258 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 258 A C 2.205 179.912 177.584 0.205 0.000 1.181 258 A CA 1.377 53.484 52.037 0.117 0.000 0.620 258 A CB -0.346 18.684 19.000 0.049 0.000 0.819 258 A HN 0.515 nan 8.150 nan 0.000 0.442 259 E N 0.137 120.471 120.200 0.224 0.000 2.150 259 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 259 E C 2.092 178.750 176.600 0.098 0.000 0.985 259 E CA 1.461 57.958 56.400 0.162 0.000 0.814 259 E CB -0.486 29.275 29.700 0.102 0.000 0.752 259 E HN 0.924 nan 8.360 nan 0.000 0.466 260 M N -0.738 118.914 119.600 0.086 0.000 2.549 260 M HA -0.018 4.462 4.480 -0.000 0.000 0.260 260 M C 1.618 177.966 176.300 0.079 0.000 1.076 260 M CA 1.328 56.668 55.300 0.066 0.000 1.090 260 M CB -0.289 32.343 32.600 0.054 0.000 1.418 260 M HN -0.049 nan 8.290 nan 0.000 0.486 261 L N 0.531 121.814 121.223 0.100 0.000 2.509 261 L HA 0.193 4.533 4.340 -0.000 0.000 0.222 261 L C 1.049 177.980 176.870 0.103 0.000 1.123 261 L CA -0.093 54.823 54.840 0.127 0.000 0.856 261 L CB -0.434 41.716 42.059 0.152 0.000 0.985 261 L HN 0.421 nan 8.230 nan 0.000 0.456 262 E N 1.015 121.263 120.200 0.080 0.000 2.558 262 E HA 0.055 4.404 4.350 -0.000 0.000 0.255 262 E C 1.167 177.785 176.600 0.030 0.000 0.968 262 E CA 0.820 57.251 56.400 0.052 0.000 0.939 262 E CB 0.265 29.985 29.700 0.033 0.000 0.921 262 E HN 0.338 nan 8.360 nan 0.000 0.477 263 G N 3.094 111.902 108.800 0.014 0.000 2.205 263 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.261 263 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.261 263 G C 0.892 175.776 174.900 -0.027 0.000 0.980 263 G CA 0.820 45.915 45.100 -0.007 0.000 0.632 263 G HN 0.734 nan 8.290 nan 0.000 0.533 264 T N -2.346 112.196 114.554 -0.020 0.000 3.081 264 T HA 0.434 4.784 4.350 -0.000 0.000 0.255 264 T C 2.460 176.992 174.700 -0.281 0.000 1.113 264 T CA 1.858 63.918 62.100 -0.066 0.000 1.082 264 T CB 0.327 69.246 68.868 0.084 0.000 0.939 264 T HN 2.226 nan 8.240 nan 0.000 0.506 265 G N 0.189 108.848 108.800 -0.236 0.000 2.232 265 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.226 265 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.226 265 G C -0.081 174.621 174.900 -0.329 0.000 0.996 265 G CA -0.164 44.739 45.100 -0.328 0.000 0.626 265 G HN 0.638 nan 8.290 nan 0.000 0.509 266 Y N 0.650 120.960 120.300 0.017 0.000 2.376 266 Y HA 0.709 5.259 4.550 -0.000 0.000 0.325 266 Y C 0.793 176.706 175.900 0.022 0.000 1.199 266 Y CA 0.107 58.217 58.100 0.016 0.000 1.206 266 Y CB 2.214 40.683 38.460 0.015 0.000 1.229 266 Y HN 0.153 nan 8.280 nan 0.000 0.480 267 T N 0.484 115.152 114.554 0.189 0.000 2.802 267 T HA 0.464 4.813 4.350 -0.000 0.000 0.311 267 T C -1.011 173.738 174.700 0.082 0.000 1.405 267 T CA -0.714 61.456 62.100 0.117 0.000 1.016 267 T CB 1.266 70.184 68.868 0.083 0.000 1.352 267 T HN 0.771 nan 8.240 nan 0.000 0.498 268 T N 0.668 115.253 114.554 0.051 0.000 2.932 268 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 268 T C -0.156 174.530 174.700 -0.022 0.000 1.039 268 T CA -0.765 61.341 62.100 0.009 0.000 1.024 268 T CB 1.524 70.379 68.868 -0.021 0.000 1.090 268 T HN 0.427 nan 8.240 nan 0.000 0.496 269 N N 1.369 120.044 118.700 -0.041 0.000 2.761 269 N HA 0.313 5.052 4.740 -0.000 0.000 0.317 269 N C -0.767 174.659 175.510 -0.140 0.000 1.546 269 N CA -0.486 52.526 53.050 -0.063 0.000 1.015 269 N CB -0.581 37.892 38.487 -0.025 0.000 1.343 269 N HN 0.602 nan 8.380 nan 0.000 0.504 270 L N -0.479 120.599 121.223 -0.241 0.000 2.375 270 L HA 0.326 4.666 4.340 -0.000 0.000 0.271 270 L C 0.467 177.097 176.870 -0.399 0.000 1.107 270 L CA -0.701 53.919 54.840 -0.366 0.000 0.806 270 L CB 0.850 42.640 42.059 -0.449 0.000 1.146 270 L HN 0.184 nan 8.230 nan 0.000 0.447 271 D N 1.290 121.503 120.400 -0.312 0.000 2.365 271 D HA 0.040 4.680 4.640 -0.000 0.000 0.237 271 D C 0.596 176.797 176.300 -0.165 0.000 1.190 271 D CA -0.018 53.873 54.000 -0.182 0.000 0.867 271 D CB 0.745 41.477 40.800 -0.113 0.000 1.050 271 D HN 0.324 nan 8.370 nan 0.000 0.491 272 Y N 2.003 122.291 120.300 -0.020 0.000 2.274 272 Y HA -0.185 4.364 4.550 -0.000 0.000 0.290 272 Y C 2.049 177.972 175.900 0.038 0.000 1.145 272 Y CA 0.849 58.953 58.100 0.008 0.000 1.203 272 Y CB 0.261 38.723 38.460 0.004 0.000 0.984 272 Y HN 0.415 nan 8.280 nan 0.000 0.533 273 D N -0.429 120.067 120.400 0.159 0.000 2.117 273 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 273 D C 2.198 178.576 176.300 0.131 0.000 0.982 273 D CA 0.887 54.964 54.000 0.129 0.000 0.828 273 D CB -0.104 40.742 40.800 0.077 0.000 0.967 273 D HN 0.215 nan 8.370 nan 0.000 0.464 274 R N 0.589 121.125 120.500 0.059 0.000 2.081 274 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 274 R C 2.589 178.927 176.300 0.062 0.000 1.131 274 R CA 0.314 56.435 56.100 0.036 0.000 0.960 274 R CB -0.927 29.352 30.300 -0.035 0.000 0.856 274 R HN 0.314 nan 8.270 nan 0.000 0.436 275 L N -0.553 120.701 121.223 0.051 0.000 2.046 275 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 275 L C 2.538 179.504 176.870 0.160 0.000 1.077 275 L CA 1.599 56.494 54.840 0.091 0.000 0.747 275 L CB -0.652 41.444 42.059 0.061 0.000 0.896 275 L HN 0.249 nan 8.230 nan 0.000 0.432 276 H N 0.675 119.805 119.070 0.100 0.000 2.353 276 H HA -0.152 4.403 4.556 -0.000 0.000 0.300 276 H C 2.216 177.605 175.328 0.101 0.000 1.090 276 H CA 1.732 57.842 56.048 0.103 0.000 1.327 276 H CB 0.166 29.982 29.762 0.091 0.000 1.383 276 H HN 0.144 nan 8.280 nan 0.000 0.508 277 K N -0.202 120.241 120.400 0.073 0.000 2.057 277 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 277 K C 2.259 178.888 176.600 0.048 0.000 1.050 277 K CA 1.530 57.832 56.287 0.024 0.000 0.935 277 K CB 0.051 32.595 32.500 0.073 0.000 0.715 277 K HN 0.334 nan 8.250 nan 0.000 0.439 278 I N 0.758 121.389 120.570 0.102 0.000 2.252 278 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 278 I C 2.690 178.976 176.117 0.281 0.000 1.102 278 I CA 0.975 62.394 61.300 0.199 0.000 1.385 278 I CB -0.292 37.848 38.000 0.233 0.000 1.064 278 I HN 0.158 nan 8.210 nan 0.000 0.414 279 R N 1.271 121.868 120.500 0.163 0.000 2.122 279 R HA -0.250 4.090 4.340 -0.000 0.000 0.236 279 R C 1.935 178.300 176.300 0.107 0.000 1.129 279 R CA 2.550 58.731 56.100 0.135 0.000 0.925 279 R CB -0.325 30.000 30.300 0.043 0.000 0.850 279 R HN 0.267 nan 8.270 nan 0.000 0.431 280 D N -1.020 119.350 120.400 -0.050 0.000 2.178 280 D HA -0.164 4.475 4.640 -0.000 0.000 0.201 280 D C 1.721 178.008 176.300 -0.022 0.000 0.980 280 D CA 1.393 55.349 54.000 -0.074 0.000 0.842 280 D CB -0.391 40.301 40.800 -0.180 0.000 0.948 280 D HN 0.474 nan 8.370 nan 0.000 0.472 281 H N -0.591 118.427 119.070 -0.087 0.000 2.290 281 H HA -0.115 4.440 4.556 -0.000 0.000 0.298 281 H C 1.762 176.934 175.328 -0.260 0.000 1.087 281 H CA 1.675 57.603 56.048 -0.201 0.000 1.291 281 H CB -0.388 29.186 29.762 -0.314 0.000 1.369 281 H HN 0.086 nan 8.280 nan 0.000 0.492 282 F N 0.476 120.479 119.950 0.089 0.000 2.367 282 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 282 F C 2.594 178.391 175.800 -0.005 0.000 1.094 282 F CA 0.959 58.983 58.000 0.041 0.000 1.409 282 F CB -0.069 38.987 39.000 0.094 0.000 1.064 282 F HN 0.150 nan 8.300 nan 0.000 0.528 283 K N 0.784 121.263 120.400 0.131 0.000 2.147 283 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 283 K C 2.140 178.757 176.600 0.030 0.000 1.049 283 K CA 1.177 57.511 56.287 0.078 0.000 0.936 283 K CB -0.178 32.351 32.500 0.049 0.000 0.722 283 K HN 0.217 nan 8.250 nan 0.000 0.446 284 A N 0.690 123.487 122.820 -0.038 0.000 1.970 284 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 284 A C 1.922 179.477 177.584 -0.048 0.000 1.170 284 A CA 0.866 52.865 52.037 -0.062 0.000 0.645 284 A CB -0.197 18.727 19.000 -0.125 0.000 0.816 284 A HN 0.314 nan 8.150 nan 0.000 0.447 285 I N -1.739 118.796 120.570 -0.059 0.000 2.867 285 I HA -0.043 4.126 4.170 -0.000 0.000 0.265 285 I C 2.520 178.757 176.117 0.201 0.000 1.162 285 I CA 0.500 61.819 61.300 0.032 0.000 1.471 285 I CB -0.217 37.758 38.000 -0.041 0.000 1.123 285 I HN 0.332 nan 8.210 nan 0.000 0.440 286 R N 1.722 122.337 120.500 0.192 0.000 2.103 286 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 286 R C -0.581 175.870 176.300 0.251 0.000 1.142 286 R CA 1.912 58.154 56.100 0.237 0.000 0.960 286 R CB -1.114 29.284 30.300 0.163 0.000 0.858 286 R HN 0.183 nan 8.270 nan 0.000 0.439 287 P HA -0.182 nan 4.420 nan 0.000 0.218 287 P C 0.186 177.548 177.300 0.103 0.000 1.146 287 P CA 1.580 64.746 63.100 0.110 0.000 0.813 287 P CB -0.028 31.709 31.700 0.061 0.000 0.778 288 K N -2.071 118.394 120.400 0.108 0.000 2.442 288 K HA -0.096 4.223 4.320 -0.000 0.000 0.198 288 K C 0.637 177.145 176.600 -0.153 0.000 1.042 288 K CA 0.984 57.244 56.287 -0.045 0.000 0.958 288 K CB -0.278 32.148 32.500 -0.123 0.000 0.766 288 K HN 0.318 nan 8.250 nan 0.000 0.474 289 Y N 1.047 121.418 120.300 0.119 0.000 2.658 289 Y HA 0.077 4.627 4.550 -0.000 0.000 0.276 289 Y C 1.415 177.416 175.900 0.168 0.000 1.167 289 Y CA -0.470 57.761 58.100 0.218 0.000 1.230 289 Y CB 0.078 38.664 38.460 0.210 0.000 1.144 289 Y HN 0.021 nan 8.280 nan 0.000 0.529 290 K N -0.193 120.294 120.400 0.144 0.000 2.152 290 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 290 K C 1.347 177.939 176.600 -0.015 0.000 1.048 290 K CA 1.293 57.623 56.287 0.072 0.000 0.933 290 K CB -0.055 32.458 32.500 0.022 0.000 0.721 290 K HN -0.052 nan 8.250 nan 0.000 0.447 291 K N 0.309 120.617 120.400 -0.153 0.000 2.515 291 K HA -0.056 4.264 4.320 -0.000 0.000 0.196 291 K C 0.728 177.026 176.600 -0.504 0.000 1.038 291 K CA 0.909 56.961 56.287 -0.392 0.000 0.967 291 K CB -0.052 32.069 32.500 -0.632 0.000 0.780 291 K HN 0.341 nan 8.250 nan 0.000 0.483 292 F N 0.798 120.773 119.950 0.042 0.000 2.688 292 F HA 0.174 4.700 4.527 -0.000 0.000 0.310 292 F C 0.633 176.463 175.800 0.050 0.000 1.098 292 F CA -0.533 57.493 58.000 0.043 0.000 1.228 292 F CB 0.558 39.606 39.000 0.081 0.000 1.042 292 F HN -0.224 nan 8.300 nan 0.000 0.557 293 E N 0.974 121.274 120.200 0.167 0.000 2.349 293 E HA 0.271 4.620 4.350 -0.000 0.000 0.265 293 E C 0.051 176.694 176.600 0.071 0.000 1.064 293 E CA -0.072 56.399 56.400 0.119 0.000 0.886 293 E CB 1.375 31.131 29.700 0.094 0.000 1.036 293 E HN 0.029 nan 8.360 nan 0.000 0.413 294 S N 1.403 117.137 115.700 0.057 0.000 2.652 294 S HA 0.234 4.704 4.470 -0.000 0.000 0.270 294 S C 0.657 175.270 174.600 0.022 0.000 1.243 294 S CA -0.669 57.551 58.200 0.033 0.000 0.999 294 S CB 0.956 64.171 63.200 0.024 0.000 0.973 294 S HN 0.345 nan 8.310 nan 0.000 0.544 295 K N 0.429 120.837 120.400 0.012 0.000 2.537 295 K HA 0.224 4.544 4.320 -0.000 0.000 0.206 295 K C -0.733 175.869 176.600 0.005 0.000 1.041 295 K CA 0.028 56.320 56.287 0.008 0.000 1.090 295 K CB 0.807 33.309 32.500 0.005 0.000 0.833 295 K HN 0.432 nan 8.250 nan 0.000 0.493 296 T N 0.833 115.389 114.554 0.002 0.000 2.890 296 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 296 T C 0.856 175.553 174.700 -0.004 0.000 0.993 296 T CA -0.562 61.536 62.100 -0.002 0.000 0.979 296 T CB 1.704 70.568 68.868 -0.008 0.000 0.967 296 T HN 0.004 nan 8.240 nan 0.000 0.441 297 L N 2.252 123.474 121.223 -0.001 0.000 2.209 297 L HA 0.258 4.598 4.340 -0.000 0.000 0.207 297 L C 0.118 176.985 176.870 -0.005 0.000 1.094 297 L CA 0.676 55.515 54.840 -0.002 0.000 0.790 297 L CB 0.342 42.403 42.059 0.004 0.000 0.932 297 L HN 0.371 nan 8.230 nan 0.000 0.447 298 V N -0.641 119.272 119.914 -0.002 0.000 2.733 298 V HA 0.388 4.508 4.120 -0.000 0.000 0.306 298 V C -1.521 174.571 176.094 -0.005 0.000 1.084 298 V CA -0.775 61.525 62.300 -0.000 0.000 0.905 298 V CB 2.339 34.170 31.823 0.014 0.000 1.010 298 V HN -0.031 nan 8.190 nan 0.000 0.424 299 D N 2.351 122.740 120.400 -0.019 0.000 2.616 299 D HA 0.327 4.967 4.640 -0.000 0.000 0.238 299 D C 0.595 176.860 176.300 -0.058 0.000 1.354 299 D CA 0.087 54.069 54.000 -0.030 0.000 0.970 299 D CB 2.216 42.989 40.800 -0.046 0.000 1.369 299 D HN 0.643 nan 8.370 nan 0.000 0.585 300 T N -0.596 113.955 114.554 -0.005 0.000 3.069 300 T HA 0.038 4.388 4.350 -0.000 0.000 0.252 300 T C 1.661 176.367 174.700 0.011 0.000 1.053 300 T CA 0.560 62.678 62.100 0.031 0.000 0.964 300 T CB -0.075 68.936 68.868 0.238 0.000 1.005 300 T HN 0.206 nan 8.240 nan 0.000 0.532 301 S N 1.783 117.471 115.700 -0.020 0.000 2.419 301 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 301 S C 1.860 176.440 174.600 -0.033 0.000 1.019 301 S CA 0.638 58.837 58.200 -0.002 0.000 0.982 301 S CB -0.894 62.299 63.200 -0.011 0.000 0.789 301 S HN 0.594 nan 8.310 nan 0.000 0.490 302 I N 0.179 120.661 120.570 -0.146 0.000 2.454 302 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 302 I C 1.622 177.673 176.117 -0.109 0.000 1.156 302 I CA 1.194 62.392 61.300 -0.171 0.000 1.433 302 I CB -0.181 37.652 38.000 -0.278 0.000 1.082 302 I HN 0.272 nan 8.210 nan 0.000 0.432 303 F N 0.779 120.738 119.950 0.016 0.000 2.451 303 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 303 F C 2.457 178.268 175.800 0.019 0.000 1.101 303 F CA 1.005 59.017 58.000 0.021 0.000 1.436 303 F CB -0.066 38.947 39.000 0.022 0.000 1.074 303 F HN 0.054 nan 8.300 nan 0.000 0.553 304 K N -0.118 120.385 120.400 0.171 0.000 2.329 304 K HA -0.033 4.287 4.320 -0.000 0.000 0.198 304 K C 2.056 178.698 176.600 0.069 0.000 1.085 304 K CA 1.016 57.368 56.287 0.109 0.000 0.961 304 K CB 0.069 32.620 32.500 0.086 0.000 0.971 304 K HN 0.135 nan 8.250 nan 0.000 0.502 305 S N -0.182 115.545 115.700 0.045 0.000 2.503 305 S HA 0.027 4.497 4.470 -0.000 0.000 0.217 305 S C 0.660 175.275 174.600 0.025 0.000 0.999 305 S CA 0.263 58.480 58.200 0.028 0.000 0.914 305 S CB 0.189 63.395 63.200 0.009 0.000 0.782 305 S HN 0.410 nan 8.310 nan 0.000 0.520 306 Q N -0.467 119.344 119.800 0.018 0.000 2.305 306 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 306 Q C -0.730 175.264 176.000 -0.011 0.000 0.663 306 Q CA 1.259 57.070 55.803 0.013 0.000 1.389 306 Q CB -1.691 27.075 28.738 0.047 0.000 1.566 306 Q HN 0.675 nan 8.270 nan 0.000 0.755 307 I N 1.718 122.274 120.570 -0.023 0.000 2.321 307 I HA 0.311 4.480 4.170 -0.000 0.000 0.291 307 I C -2.195 173.888 176.117 -0.056 0.000 0.998 307 I CA -2.192 59.089 61.300 -0.031 0.000 1.227 307 I CB 1.217 39.204 38.000 -0.021 0.000 1.368 307 I HN -0.236 nan 8.210 nan 0.000 0.466 308 P HA 0.086 nan 4.420 nan 0.000 0.271 308 P C 1.040 178.300 177.300 -0.066 0.000 1.216 308 P CA -0.079 62.972 63.100 -0.082 0.000 0.771 308 P CB 1.047 32.698 31.700 -0.082 0.000 0.864 309 G N 3.124 111.881 108.800 -0.071 0.000 2.505 309 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 309 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 309 G C 1.704 176.580 174.900 -0.038 0.000 1.145 309 G CA 1.119 46.189 45.100 -0.051 0.000 0.761 309 G HN 0.624 nan 8.290 nan 0.000 0.571 310 G N 0.410 109.185 108.800 -0.043 0.000 2.418 310 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 310 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 310 G C 1.793 176.679 174.900 -0.023 0.000 1.158 310 G CA 1.158 46.241 45.100 -0.029 0.000 0.771 310 G HN 0.453 nan 8.290 nan 0.000 0.545 311 M N -0.460 119.122 119.600 -0.031 0.000 2.159 311 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 311 M C 2.333 178.619 176.300 -0.023 0.000 1.063 311 M CA 1.174 56.458 55.300 -0.026 0.000 1.110 311 M CB -0.078 32.503 32.600 -0.031 0.000 1.374 311 M HN 0.237 nan 8.290 nan 0.000 0.411 312 L N -0.108 121.100 121.223 -0.024 0.000 2.027 312 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 312 L C 2.316 179.178 176.870 -0.013 0.000 1.074 312 L CA 1.876 56.704 54.840 -0.020 0.000 0.745 312 L CB -0.810 41.236 42.059 -0.022 0.000 0.898 312 L HN 0.262 nan 8.230 nan 0.000 0.433 313 S N -0.121 115.573 115.700 -0.012 0.000 2.359 313 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 313 S C 1.884 176.484 174.600 -0.001 0.000 1.035 313 S CA 1.484 59.681 58.200 -0.005 0.000 1.018 313 S CB -0.614 62.584 63.200 -0.002 0.000 0.876 313 S HN 0.554 nan 8.310 nan 0.000 0.448 314 N N 1.252 119.951 118.700 -0.001 0.000 2.061 314 N HA -0.096 4.644 4.740 -0.000 0.000 0.193 314 N C 1.710 177.220 175.510 0.001 0.000 1.030 314 N CA 1.481 54.532 53.050 0.002 0.000 0.856 314 N CB -0.280 38.206 38.487 -0.002 0.000 1.023 314 N HN 0.422 nan 8.380 nan 0.000 0.424 315 M N 0.683 120.279 119.600 -0.007 0.000 2.159 315 M HA -0.141 4.338 4.480 -0.000 0.000 0.263 315 M C 2.123 178.425 176.300 0.002 0.000 1.063 315 M CA 1.196 56.492 55.300 -0.006 0.000 1.110 315 M CB -0.400 32.191 32.600 -0.015 0.000 1.374 315 M HN 0.237 nan 8.290 nan 0.000 0.411 316 E N 0.886 121.086 120.200 0.001 0.000 2.038 316 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 316 E C 2.001 178.606 176.600 0.008 0.000 1.000 316 E CA 2.169 58.571 56.400 0.003 0.000 0.803 316 E CB 0.003 29.703 29.700 0.001 0.000 0.750 316 E HN 0.536 nan 8.360 nan 0.000 0.448 317 S N 0.360 116.066 115.700 0.010 0.000 2.370 317 S HA -0.237 4.233 4.470 -0.000 0.000 0.226 317 S C 1.984 176.596 174.600 0.021 0.000 1.033 317 S CA 1.432 59.641 58.200 0.015 0.000 1.011 317 S CB -0.467 62.743 63.200 0.017 0.000 0.852 317 S HN 0.350 nan 8.310 nan 0.000 0.457 318 Q N 0.522 120.336 119.800 0.024 0.000 2.224 318 Q HA 0.161 4.501 4.340 -0.000 0.000 0.203 318 Q C 2.030 178.052 176.000 0.037 0.000 0.970 318 Q CA 1.007 56.833 55.803 0.038 0.000 0.865 318 Q CB -0.310 28.455 28.738 0.045 0.000 0.922 318 Q HN 0.569 nan 8.270 nan 0.000 0.445 319 L N -0.046 121.191 121.223 0.024 0.000 2.558 319 L HA 0.044 4.384 4.340 -0.000 0.000 0.225 319 L C 2.353 179.230 176.870 0.012 0.000 1.128 319 L CA 0.184 55.035 54.840 0.018 0.000 0.868 319 L CB -0.043 42.023 42.059 0.011 0.000 1.006 319 L HN 0.134 nan 8.230 nan 0.000 0.454 320 R N 0.704 121.211 120.500 0.013 0.000 2.105 320 R HA 0.056 4.396 4.340 -0.000 0.000 0.214 320 R C 1.943 178.250 176.300 0.010 0.000 1.091 320 R CA 0.972 57.077 56.100 0.009 0.000 1.007 320 R CB -0.020 30.285 30.300 0.009 0.000 0.912 320 R HN 0.182 nan 8.270 nan 0.000 0.450 321 A N 0.382 123.211 122.820 0.015 0.000 2.252 321 A HA 0.026 4.346 4.320 -0.000 0.000 0.207 321 A C 1.453 179.045 177.584 0.014 0.000 1.194 321 A CA 0.391 52.438 52.037 0.016 0.000 0.809 321 A CB 0.057 19.070 19.000 0.022 0.000 0.814 321 A HN 0.440 nan 8.150 nan 0.000 0.482 322 Q N -2.752 117.055 119.800 0.011 0.000 2.471 322 Q HA 0.242 4.581 4.340 -0.000 0.000 0.259 322 Q C 1.100 177.099 176.000 -0.002 0.000 0.850 322 Q CA 0.769 56.574 55.803 0.004 0.000 0.981 322 Q CB 0.984 29.727 28.738 0.007 0.000 1.180 322 Q HN 0.848 nan 8.270 nan 0.000 0.571 323 G N 0.439 109.239 108.800 0.000 0.000 2.227 323 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.168 323 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.168 323 G C 0.048 174.946 174.900 -0.004 0.000 1.006 323 G CA -0.030 45.068 45.100 -0.003 0.000 0.684 323 G HN 0.353 nan 8.290 nan 0.000 0.489 324 A N 0.598 123.416 122.820 -0.003 0.000 3.150 324 A HA 0.708 5.028 4.320 -0.000 0.000 0.328 324 A C 0.746 178.329 177.584 -0.001 0.000 1.104 324 A CA 0.225 52.260 52.037 -0.004 0.000 0.937 324 A CB 0.080 19.077 19.000 -0.006 0.000 1.073 324 A HN 0.342 nan 8.150 nan 0.000 0.497 325 E N -0.070 120.129 120.200 -0.001 0.000 2.502 325 E HA -0.079 4.270 4.350 -0.000 0.000 0.194 325 E C 0.154 176.753 176.600 -0.002 0.000 1.062 325 E CA 0.323 56.723 56.400 -0.000 0.000 0.867 325 E CB 0.229 29.929 29.700 0.000 0.000 0.888 325 E HN 0.653 nan 8.360 nan 0.000 0.510 326 D N 0.624 121.022 120.400 -0.003 0.000 2.323 326 D HA -0.041 4.599 4.640 -0.000 0.000 0.209 326 D C 0.607 176.904 176.300 -0.005 0.000 0.973 326 D CA 0.766 54.764 54.000 -0.004 0.000 0.874 326 D CB 0.289 41.086 40.800 -0.005 0.000 0.930 326 D HN -0.113 nan 8.370 nan 0.000 0.521 327 K N -0.159 120.238 120.400 -0.006 0.000 2.570 327 K HA 0.199 4.518 4.320 -0.000 0.000 0.210 327 K C 0.940 177.536 176.600 -0.007 0.000 1.048 327 K CA -0.092 56.191 56.287 -0.008 0.000 1.167 327 K CB 0.227 32.721 32.500 -0.010 0.000 0.892 327 K HN 0.023 nan 8.250 nan 0.000 0.480 328 M N 0.864 120.460 119.600 -0.005 0.000 2.200 328 M HA -0.054 4.425 4.480 -0.000 0.000 0.265 328 M C 0.677 176.973 176.300 -0.006 0.000 1.066 328 M CA 1.801 57.098 55.300 -0.005 0.000 1.127 328 M CB 0.015 32.613 32.600 -0.004 0.000 1.379 328 M HN 0.092 nan 8.290 nan 0.000 0.420 329 D N 0.093 120.490 120.400 -0.005 0.000 2.219 329 D HA -0.141 4.498 4.640 -0.000 0.000 0.205 329 D C 1.736 178.032 176.300 -0.006 0.000 0.970 329 D CA 1.198 55.196 54.000 -0.004 0.000 0.851 329 D CB -0.078 40.721 40.800 -0.002 0.000 0.943 329 D HN 0.605 nan 8.370 nan 0.000 0.488 330 E N 0.137 120.331 120.200 -0.010 0.000 2.122 330 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 330 E C 2.314 178.901 176.600 -0.022 0.000 0.977 330 E CA 0.184 56.575 56.400 -0.015 0.000 0.820 330 E CB 0.298 29.987 29.700 -0.018 0.000 0.770 330 E HN 0.025 nan 8.360 nan 0.000 0.462 331 V N 1.564 121.466 119.914 -0.021 0.000 2.295 331 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 331 V C 2.274 178.353 176.094 -0.025 0.000 1.049 331 V CA 1.680 63.964 62.300 -0.028 0.000 1.024 331 V CB -0.348 31.463 31.823 -0.021 0.000 0.648 331 V HN 0.326 nan 8.190 nan 0.000 0.447 332 M N -0.372 119.219 119.600 -0.015 0.000 2.446 332 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 332 M C 2.028 178.326 176.300 -0.003 0.000 1.066 332 M CA 1.731 57.026 55.300 -0.008 0.000 1.087 332 M CB -0.416 32.182 32.600 -0.004 0.000 1.406 332 M HN 0.412 nan 8.290 nan 0.000 0.459 333 A N -0.689 122.127 122.820 -0.006 0.000 2.095 333 A HA -0.037 4.283 4.320 -0.000 0.000 0.212 333 A C 1.900 179.479 177.584 -0.008 0.000 1.162 333 A CA 0.948 52.985 52.037 -0.000 0.000 0.753 333 A CB -0.149 18.850 19.000 -0.001 0.000 0.840 333 A HN 0.344 nan 8.150 nan 0.000 0.468 334 E N 0.031 120.215 120.200 -0.027 0.000 2.086 334 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 334 E C 1.763 178.337 176.600 -0.043 0.000 0.975 334 E CA 1.225 57.595 56.400 -0.050 0.000 0.813 334 E CB -0.397 29.253 29.700 -0.083 0.000 0.768 334 E HN 0.151 nan 8.360 nan 0.000 0.457 335 V N 1.749 121.643 119.914 -0.033 0.000 2.233 335 V HA -0.282 3.838 4.120 -0.000 0.000 0.252 335 V C -0.644 175.455 176.094 0.008 0.000 1.063 335 V CA 2.734 65.022 62.300 -0.021 0.000 1.032 335 V CB -1.572 30.244 31.823 -0.011 0.000 0.645 335 V HN 0.302 nan 8.190 nan 0.000 0.446 336 P HA -0.188 nan 4.420 nan 0.000 0.216 336 P C 1.714 179.043 177.300 0.049 0.000 1.154 336 P CA 1.691 64.834 63.100 0.071 0.000 0.865 336 P CB -0.134 31.614 31.700 0.081 0.000 0.789 337 R N -0.909 119.608 120.500 0.028 0.000 2.092 337 R HA -0.045 4.294 4.340 -0.000 0.000 0.231 337 R C 2.112 178.434 176.300 0.037 0.000 1.119 337 R CA 1.121 57.237 56.100 0.027 0.000 0.970 337 R CB -1.064 29.251 30.300 0.026 0.000 0.864 337 R HN 0.128 nan 8.270 nan 0.000 0.440 338 V N 0.991 120.924 119.914 0.033 0.000 2.358 338 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 338 V C 2.464 178.603 176.094 0.075 0.000 1.047 338 V CA 1.710 64.066 62.300 0.092 0.000 1.035 338 V CB -0.584 31.228 31.823 -0.018 0.000 0.658 338 V HN 0.306 nan 8.190 nan 0.000 0.452 339 R N 0.594 121.096 120.500 0.003 0.000 2.083 339 R HA -0.258 4.081 4.340 -0.000 0.000 0.237 339 R C 2.452 178.561 176.300 -0.319 0.000 1.137 339 R CA 2.348 58.421 56.100 -0.046 0.000 0.951 339 R CB -0.335 29.985 30.300 0.035 0.000 0.851 339 R HN 0.512 nan 8.270 nan 0.000 0.434 340 K N -0.120 119.959 120.400 -0.535 0.000 2.032 340 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 340 K C 1.934 178.213 176.600 -0.535 0.000 1.048 340 K CA 1.726 57.363 56.287 -1.083 0.000 0.927 340 K CB -0.267 31.914 32.500 -0.531 0.000 0.712 340 K HN 0.285 nan 8.250 nan 0.000 0.441 341 A N 0.754 123.460 122.820 -0.190 0.000 1.978 341 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 341 A C 2.155 179.696 177.584 -0.072 0.000 1.170 341 A CA 1.828 53.829 52.037 -0.060 0.000 0.636 341 A CB -0.619 18.444 19.000 0.105 0.000 0.810 341 A HN 0.506 nan 8.150 nan 0.000 0.448 342 A N -1.938 120.855 122.820 -0.046 0.000 2.238 342 A HA 0.422 4.742 4.320 -0.000 0.000 0.208 342 A C 1.655 179.194 177.584 -0.074 0.000 1.177 342 A CA 1.142 53.153 52.037 -0.043 0.000 0.804 342 A CB -0.859 18.179 19.000 0.063 0.000 0.823 342 A HN 1.895 nan 8.150 nan 0.000 0.482 343 G N -2.064 106.646 108.800 -0.150 0.000 2.131 343 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.223 343 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.223 343 G C 0.325 175.281 174.900 0.093 0.000 0.990 343 G CA -0.288 44.778 45.100 -0.057 0.000 0.671 343 G HN 0.911 nan 8.290 nan 0.000 0.521 344 F N -1.294 118.703 119.950 0.078 0.000 2.985 344 F HA -0.163 4.364 4.527 -0.000 0.000 0.303 344 F C -1.028 174.861 175.800 0.149 0.000 0.976 344 F CA 0.432 58.498 58.000 0.111 0.000 1.013 344 F CB -1.310 37.766 39.000 0.126 0.000 1.060 344 F HN 0.357 nan 8.300 nan 0.000 0.780 345 P HA 0.196 nan 4.420 nan 0.000 0.274 345 P C -2.430 174.944 177.300 0.125 0.000 1.237 345 P CA -1.349 61.852 63.100 0.169 0.000 0.793 345 P CB 0.651 32.407 31.700 0.094 0.000 0.977 346 P HA 0.101 nan 4.420 nan 0.000 0.267 346 P C -0.062 177.245 177.300 0.012 0.000 1.200 346 P CA 0.470 63.566 63.100 -0.007 0.000 0.772 346 P CB 0.222 31.924 31.700 0.002 0.000 0.855 347 L N 2.969 124.185 121.223 -0.011 0.000 2.536 347 L HA 0.204 4.543 4.340 -0.000 0.000 0.242 347 L C 0.322 177.179 176.870 -0.022 0.000 1.280 347 L CA -0.445 54.390 54.840 -0.008 0.000 1.221 347 L CB -0.583 41.470 42.059 -0.010 0.000 1.449 347 L HN 0.181 nan 8.230 nan 0.000 0.405 348 V N -2.866 117.044 119.914 -0.006 0.000 3.046 348 V HA 0.555 4.675 4.120 -0.000 0.000 0.316 348 V C 0.516 176.618 176.094 0.014 0.000 1.104 348 V CA -0.753 61.544 62.300 -0.006 0.000 1.006 348 V CB 1.571 33.399 31.823 0.009 0.000 1.058 348 V HN 0.214 nan 8.190 nan 0.000 0.440 349 T N 3.993 118.559 114.554 0.021 0.000 2.934 349 T HA 0.226 4.575 4.350 -0.000 0.000 0.306 349 T C -1.440 173.283 174.700 0.038 0.000 1.042 349 T CA 0.438 62.553 62.100 0.025 0.000 1.145 349 T CB 0.877 69.770 68.868 0.041 0.000 0.982 349 T HN 0.872 nan 8.240 nan 0.000 0.544 350 P HA 0.126 nan 4.420 nan 0.000 0.257 350 P C 1.257 178.506 177.300 -0.085 0.000 1.241 350 P CA 0.075 63.139 63.100 -0.060 0.000 0.816 350 P CB 0.301 31.941 31.700 -0.100 0.000 1.150 351 S N 1.364 117.009 115.700 -0.092 0.000 2.380 351 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 351 S C 2.160 176.745 174.600 -0.024 0.000 1.043 351 S CA 2.173 60.332 58.200 -0.069 0.000 1.038 351 S CB -1.004 62.176 63.200 -0.033 0.000 0.872 351 S HN 0.464 nan 8.310 nan 0.000 0.456 352 S N 1.763 117.451 115.700 -0.019 0.000 2.368 352 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 352 S C 1.846 176.432 174.600 -0.022 0.000 1.030 352 S CA 1.179 59.370 58.200 -0.016 0.000 0.999 352 S CB -0.557 62.631 63.200 -0.020 0.000 0.844 352 S HN 0.430 nan 8.310 nan 0.000 0.459 353 Q N 1.291 121.076 119.800 -0.025 0.000 2.079 353 Q HA 0.189 4.529 4.340 -0.000 0.000 0.200 353 Q C 2.244 178.219 176.000 -0.043 0.000 0.974 353 Q CA 1.573 57.359 55.803 -0.030 0.000 0.840 353 Q CB -0.601 28.126 28.738 -0.017 0.000 0.898 353 Q HN 0.635 nan 8.270 nan 0.000 0.430 354 I N -0.421 120.133 120.570 -0.027 0.000 2.163 354 I HA -0.273 3.896 4.170 -0.000 0.000 0.243 354 I C 1.970 178.095 176.117 0.014 0.000 1.085 354 I CA 0.974 62.279 61.300 0.008 0.000 1.347 354 I CB -0.406 37.619 38.000 0.042 0.000 1.044 354 I HN 0.051 nan 8.210 nan 0.000 0.408 355 V N 1.084 121.014 119.914 0.027 0.000 2.358 355 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 355 V C 2.594 178.640 176.094 -0.079 0.000 1.047 355 V CA 2.107 64.413 62.300 0.010 0.000 1.035 355 V CB -1.366 30.479 31.823 0.037 0.000 0.658 355 V HN 0.574 nan 8.190 nan 0.000 0.452 356 G N -0.349 108.409 108.800 -0.071 0.000 2.421 356 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 356 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 356 G C 1.709 176.525 174.900 -0.140 0.000 1.171 356 G CA 1.538 46.587 45.100 -0.085 0.000 0.775 356 G HN 0.459 nan 8.290 nan 0.000 0.543 357 T N 0.427 114.867 114.554 -0.190 0.000 2.746 357 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 357 T C 2.360 176.726 174.700 -0.558 0.000 1.039 357 T CA 1.657 63.557 62.100 -0.335 0.000 1.142 357 T CB -0.188 68.458 68.868 -0.370 0.000 0.866 357 T HN 0.313 nan 8.240 nan 0.000 0.444 358 Q N 1.324 120.823 119.800 -0.502 0.000 2.124 358 Q HA 0.054 4.394 4.340 -0.000 0.000 0.202 358 Q C 2.243 178.015 176.000 -0.380 0.000 0.977 358 Q CA 1.696 57.155 55.803 -0.572 0.000 0.850 358 Q CB -0.675 27.595 28.738 -0.780 0.000 0.901 358 Q HN 0.511 nan 8.270 nan 0.000 0.429 359 A N -0.753 121.901 122.820 -0.277 0.000 1.933 359 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 359 A C 2.220 179.738 177.584 -0.110 0.000 1.175 359 A CA 1.571 53.496 52.037 -0.187 0.000 0.628 359 A CB -0.661 18.264 19.000 -0.125 0.000 0.814 359 A HN 0.270 nan 8.150 nan 0.000 0.444 360 V N -1.113 118.761 119.914 -0.067 0.000 2.427 360 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 360 V C 2.272 178.476 176.094 0.183 0.000 1.051 360 V CA 1.692 64.020 62.300 0.047 0.000 1.048 360 V CB -0.947 30.926 31.823 0.083 0.000 0.666 360 V HN 0.639 nan 8.190 nan 0.000 0.456 361 F N 0.517 120.397 119.950 -0.117 0.000 2.075 361 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 361 F C 2.508 178.221 175.800 -0.144 0.000 1.113 361 F CA 1.366 59.300 58.000 -0.110 0.000 1.218 361 F CB -0.369 38.567 39.000 -0.106 0.000 0.984 361 F HN 0.216 nan 8.300 nan 0.000 0.472 362 N N 0.373 119.064 118.700 -0.014 0.000 2.192 362 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 362 N C 1.679 177.120 175.510 -0.114 0.000 1.013 362 N CA 1.049 53.993 53.050 -0.178 0.000 0.863 362 N CB -0.635 37.615 38.487 -0.395 0.000 0.990 362 N HN 0.062 nan 8.380 nan 0.000 0.430 363 V N 0.517 120.391 119.914 -0.068 0.000 2.346 363 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 363 V C 2.091 178.162 176.094 -0.038 0.000 1.037 363 V CA 1.166 63.436 62.300 -0.051 0.000 1.029 363 V CB -0.268 31.535 31.823 -0.033 0.000 0.663 363 V HN 0.218 nan 8.190 nan 0.000 0.454 364 M N -0.560 119.026 119.600 -0.025 0.000 2.153 364 M HA -0.018 4.462 4.480 -0.000 0.000 0.257 364 M C 2.269 178.530 176.300 -0.064 0.000 1.107 364 M CA 1.896 57.170 55.300 -0.043 0.000 1.109 364 M CB -1.197 31.373 32.600 -0.050 0.000 1.240 364 M HN 0.188 nan 8.290 nan 0.000 0.436 365 M N -0.050 119.493 119.600 -0.096 0.000 2.346 365 M HA 0.032 4.512 4.480 -0.000 0.000 0.263 365 M C 0.778 177.041 176.300 -0.063 0.000 1.064 365 M CA 0.967 56.206 55.300 -0.101 0.000 1.083 365 M CB -0.473 32.029 32.600 -0.164 0.000 1.399 365 M HN 0.617 nan 8.290 nan 0.000 0.435 366 G N 0.444 109.208 108.800 -0.059 0.000 2.392 366 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.677 366 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.677 366 G C -1.127 173.720 174.900 -0.088 0.000 1.334 366 G CA -1.012 44.053 45.100 -0.059 0.000 0.961 366 G HN 0.256 nan 8.290 nan 0.000 0.616 367 E N 0.297 120.436 120.200 -0.103 0.000 2.734 367 E HA 0.223 4.573 4.350 -0.000 0.000 0.235 367 E C 0.703 177.266 176.600 -0.061 0.000 1.107 367 E CA 0.890 57.181 56.400 -0.181 0.000 0.951 367 E CB -0.990 28.674 29.700 -0.060 0.000 0.955 367 E HN 0.945 nan 8.360 nan 0.000 0.515 368 Y N 2.177 122.483 120.300 0.011 0.000 4.144 368 Y HA -0.403 4.147 4.550 -0.000 0.000 0.216 368 Y C 1.473 177.406 175.900 0.055 0.000 1.115 368 Y CA 0.791 58.913 58.100 0.037 0.000 1.729 368 Y CB -0.774 37.727 38.460 0.068 0.000 1.553 368 Y HN 0.543 nan 8.280 nan 0.000 0.633 369 K N 0.800 121.267 120.400 0.112 0.000 2.103 369 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 369 K C 1.068 177.724 176.600 0.093 0.000 1.048 369 K CA 1.526 57.861 56.287 0.080 0.000 0.930 369 K CB -0.069 32.443 32.500 0.020 0.000 0.716 369 K HN 0.504 nan 8.250 nan 0.000 0.444 370 R N 0.307 120.876 120.500 0.115 0.000 2.483 370 R HA 0.307 4.647 4.340 -0.000 0.000 0.303 370 R C -1.041 175.438 176.300 0.298 0.000 0.987 370 R CA -0.138 56.050 56.100 0.147 0.000 0.881 370 R CB 0.811 31.128 30.300 0.028 0.000 1.177 370 R HN -0.085 nan 8.270 nan 0.000 0.451 371 M N 3.280 123.052 119.600 0.287 0.000 2.300 371 M HA 0.238 4.718 4.480 -0.000 0.000 0.348 371 M C 0.591 177.074 176.300 0.304 0.000 1.151 371 M CA -0.739 54.766 55.300 0.342 0.000 1.046 371 M CB 2.066 34.907 32.600 0.403 0.000 1.647 371 M HN 0.699 nan 8.290 nan 0.000 0.451 372 T N -0.324 114.383 114.554 0.256 0.000 2.748 372 T HA 0.225 4.575 4.350 -0.000 0.000 0.304 372 T C 1.281 176.084 174.700 0.171 0.000 1.041 372 T CA -0.197 62.017 62.100 0.190 0.000 1.033 372 T CB 0.853 69.740 68.868 0.031 0.000 0.995 372 T HN 0.827 nan 8.240 nan 0.000 0.536 373 G N 0.146 109.017 108.800 0.117 0.000 2.422 373 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 373 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 373 G C 1.266 176.212 174.900 0.076 0.000 1.140 373 G CA 0.496 45.636 45.100 0.067 0.000 0.775 373 G HN 0.764 nan 8.290 nan 0.000 0.545 374 E N 0.065 120.345 120.200 0.132 0.000 2.028 374 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 374 E C 1.919 178.672 176.600 0.255 0.000 0.988 374 E CA 0.492 57.023 56.400 0.219 0.000 0.799 374 E CB -0.547 29.263 29.700 0.184 0.000 0.755 374 E HN 0.350 nan 8.360 nan 0.000 0.447 375 F N 1.355 121.350 119.950 0.075 0.000 2.126 375 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 375 F C 2.081 177.925 175.800 0.074 0.000 1.096 375 F CA 1.474 59.514 58.000 0.067 0.000 1.255 375 F CB -0.527 38.492 39.000 0.033 0.000 0.997 375 F HN 0.026 nan 8.300 nan 0.000 0.479 376 A N -0.119 122.720 122.820 0.031 0.000 1.908 376 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 376 A C 2.021 179.529 177.584 -0.126 0.000 1.181 376 A CA 2.051 54.040 52.037 -0.079 0.000 0.627 376 A CB -1.044 17.955 19.000 -0.002 0.000 0.818 376 A HN 0.424 nan 8.150 nan 0.000 0.445 377 D N -0.055 120.295 120.400 -0.083 0.000 2.117 377 D HA -0.095 4.544 4.640 -0.000 0.000 0.197 377 D C 1.900 178.192 176.300 -0.015 0.000 0.987 377 D CA 1.017 54.938 54.000 -0.132 0.000 0.829 377 D CB -0.278 40.313 40.800 -0.347 0.000 0.961 377 D HN 0.522 nan 8.370 nan 0.000 0.460 378 I N 0.375 121.017 120.570 0.120 0.000 2.179 378 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 378 I C 2.237 178.294 176.117 -0.099 0.000 1.088 378 I CA 0.787 62.179 61.300 0.154 0.000 1.357 378 I CB -0.245 37.784 38.000 0.049 0.000 1.051 378 I HN 0.016 nan 8.210 nan 0.000 0.409 379 M N 0.194 119.600 119.600 -0.325 0.000 2.279 379 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 379 M C 2.125 178.328 176.300 -0.162 0.000 1.062 379 M CA 1.600 56.700 55.300 -0.333 0.000 1.099 379 M CB -0.839 31.445 32.600 -0.525 0.000 1.394 379 M HN 0.274 nan 8.290 nan 0.000 0.426 380 L N -0.788 120.389 121.223 -0.076 0.000 2.592 380 L HA 0.185 4.525 4.340 -0.000 0.000 0.227 380 L C 1.249 178.089 176.870 -0.050 0.000 1.127 380 L CA 0.175 55.028 54.840 0.022 0.000 0.884 380 L CB -0.381 41.793 42.059 0.193 0.000 1.065 380 L HN 0.558 nan 8.230 nan 0.000 0.457 381 G N -0.943 107.805 108.800 -0.087 0.000 2.136 381 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.242 381 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.242 381 G C 0.350 175.047 174.900 -0.338 0.000 0.989 381 G CA 0.096 45.083 45.100 -0.189 0.000 0.682 381 G HN 0.363 nan 8.290 nan 0.000 0.522 382 Y N -1.120 119.007 120.300 -0.289 0.000 2.578 382 Y HA 0.281 4.831 4.550 -0.000 0.000 0.297 382 Y C 2.064 177.590 175.900 -0.624 0.000 1.176 382 Y CA 0.997 58.824 58.100 -0.456 0.000 1.315 382 Y CB 0.089 38.231 38.460 -0.531 0.000 1.031 382 Y HN 0.438 nan 8.280 nan 0.000 0.524 383 Y N -0.904 119.314 120.300 -0.137 0.000 2.444 383 Y HA 0.467 5.017 4.550 -0.000 0.000 0.249 383 Y C 1.344 177.222 175.900 -0.036 0.000 1.134 383 Y CA 0.015 58.043 58.100 -0.119 0.000 1.261 383 Y CB 0.610 39.061 38.460 -0.015 0.000 1.143 383 Y HN -0.004 nan 8.280 nan 0.000 0.523 384 G N 0.163 108.980 108.800 0.029 0.000 2.362 384 G HA2 0.248 4.207 3.960 -0.000 0.000 0.517 384 G HA3 0.248 4.207 3.960 -0.000 0.000 0.517 384 G C -1.028 173.877 174.900 0.009 0.000 1.256 384 G CA -0.743 44.373 45.100 0.026 0.000 1.027 384 G HN 0.374 nan 8.290 nan 0.000 0.491 385 A N -0.383 122.443 122.820 0.011 0.000 2.340 385 A HA 0.808 5.128 4.320 -0.000 0.000 0.268 385 A C 0.748 178.349 177.584 0.029 0.000 1.100 385 A CA 0.885 52.923 52.037 0.003 0.000 0.803 385 A CB 0.671 19.670 19.000 -0.002 0.000 1.043 385 A HN 1.731 nan 8.150 nan 0.000 0.488 386 S N 1.582 117.295 115.700 0.022 0.000 2.654 386 S HA 0.423 4.893 4.470 -0.000 0.000 0.283 386 S C -1.712 172.917 174.600 0.048 0.000 1.180 386 S CA -0.847 57.380 58.200 0.045 0.000 1.021 386 S CB 1.124 64.342 63.200 0.030 0.000 1.018 386 S HN 0.581 nan 8.310 nan 0.000 0.532 387 P HA 0.021 nan 4.420 nan 0.000 0.218 387 P C -0.245 177.044 177.300 -0.017 0.000 1.148 387 P CA 0.946 64.054 63.100 0.014 0.000 0.822 387 P CB 0.217 31.933 31.700 0.027 0.000 0.784 388 A N -1.247 121.607 122.820 0.056 0.000 2.430 388 A HA 0.408 4.727 4.320 -0.000 0.000 0.300 388 A C -0.892 176.717 177.584 0.042 0.000 1.124 388 A CA -0.723 51.353 52.037 0.065 0.000 0.766 388 A CB 0.809 19.925 19.000 0.192 0.000 1.328 388 A HN -0.192 nan 8.150 nan 0.000 0.424 389 D N 1.377 121.792 120.400 0.024 0.000 2.455 389 D HA 0.143 4.783 4.640 -0.000 0.000 0.241 389 D C 0.186 176.477 176.300 -0.015 0.000 1.138 389 D CA 0.653 54.652 54.000 -0.001 0.000 0.877 389 D CB 0.594 41.392 40.800 -0.004 0.000 1.187 389 D HN 0.377 nan 8.370 nan 0.000 0.451 390 R N 1.139 121.615 120.500 -0.040 0.000 2.582 390 R HA 0.066 4.405 4.340 -0.000 0.000 0.271 390 R C 0.024 176.284 176.300 -0.066 0.000 1.078 390 R CA -0.585 55.474 56.100 -0.069 0.000 1.127 390 R CB 0.426 30.671 30.300 -0.092 0.000 1.038 390 R HN 0.327 nan 8.270 nan 0.000 0.500 391 D N 2.444 122.798 120.400 -0.077 0.000 2.368 391 D HA 0.020 4.660 4.640 -0.000 0.000 0.268 391 D C -1.636 174.621 176.300 -0.072 0.000 1.298 391 D CA -1.551 52.411 54.000 -0.063 0.000 0.938 391 D CB 0.983 41.745 40.800 -0.063 0.000 1.101 391 D HN 0.163 nan 8.370 nan 0.000 0.509 392 P HA -0.191 nan 4.420 nan 0.000 0.217 392 P C 0.798 178.066 177.300 -0.052 0.000 1.148 392 P CA 1.444 64.514 63.100 -0.049 0.000 0.828 392 P CB 0.209 31.889 31.700 -0.032 0.000 0.783 393 K N -0.856 119.516 120.400 -0.048 0.000 2.057 393 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 393 K C 1.862 178.414 176.600 -0.079 0.000 1.050 393 K CA 1.166 57.427 56.287 -0.043 0.000 0.935 393 K CB -0.686 31.803 32.500 -0.020 0.000 0.715 393 K HN 0.039 nan 8.250 nan 0.000 0.439 394 V N 1.075 120.906 119.914 -0.137 0.000 2.667 394 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 394 V C 2.199 178.184 176.094 -0.183 0.000 1.065 394 V CA 1.071 63.220 62.300 -0.252 0.000 1.083 394 V CB -0.112 31.464 31.823 -0.411 0.000 0.692 394 V HN 0.057 nan 8.190 nan 0.000 0.468 395 V N 0.292 120.122 119.914 -0.140 0.000 2.261 395 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 395 V C 2.446 178.492 176.094 -0.079 0.000 1.047 395 V CA 2.460 64.689 62.300 -0.118 0.000 1.015 395 V CB -0.656 31.111 31.823 -0.094 0.000 0.642 395 V HN 0.560 nan 8.190 nan 0.000 0.446 396 K N -0.021 120.343 120.400 -0.060 0.000 2.044 396 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 396 K C 2.155 178.739 176.600 -0.027 0.000 1.049 396 K CA 1.800 58.065 56.287 -0.037 0.000 0.927 396 K CB -0.295 32.189 32.500 -0.027 0.000 0.713 396 K HN 0.391 nan 8.250 nan 0.000 0.443 397 L N 0.376 121.581 121.223 -0.030 0.000 2.079 397 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 397 L C 2.674 179.548 176.870 0.006 0.000 1.081 397 L CA 1.287 56.125 54.840 -0.003 0.000 0.752 397 L CB -0.659 41.401 42.059 0.003 0.000 0.896 397 L HN 0.344 nan 8.230 nan 0.000 0.433 398 A N -0.049 122.759 122.820 -0.020 0.000 1.902 398 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 398 A C 2.281 179.855 177.584 -0.016 0.000 1.181 398 A CA 1.883 53.910 52.037 -0.016 0.000 0.623 398 A CB -0.511 18.439 19.000 -0.084 0.000 0.818 398 A HN 0.490 nan 8.150 nan 0.000 0.443 399 E N 0.069 120.256 120.200 -0.022 0.000 2.077 399 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 399 E C 1.564 178.159 176.600 -0.009 0.000 0.989 399 E CA 1.327 57.718 56.400 -0.015 0.000 0.800 399 E CB -0.154 29.538 29.700 -0.014 0.000 0.746 399 E HN 0.737 nan 8.360 nan 0.000 0.452 400 E N -0.214 119.984 120.200 -0.004 0.000 2.511 400 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 400 E C 1.598 178.204 176.600 0.010 0.000 1.066 400 E CA 0.206 56.607 56.400 0.003 0.000 0.871 400 E CB 0.224 29.927 29.700 0.006 0.000 0.863 400 E HN 0.310 nan 8.360 nan 0.000 0.520 401 Q N -0.185 119.623 119.800 0.013 0.000 2.245 401 Q HA 0.019 4.359 4.340 -0.000 0.000 0.250 401 Q C 1.622 177.629 176.000 0.012 0.000 0.830 401 Q CA 0.491 56.309 55.803 0.025 0.000 0.950 401 Q CB 0.647 29.418 28.738 0.054 0.000 1.124 401 Q HN 0.236 nan 8.270 nan 0.000 0.502 402 S N -2.295 113.400 115.700 -0.008 0.000 2.524 402 S HA 0.294 4.764 4.470 -0.000 0.000 0.222 402 S C 1.379 175.950 174.600 -0.048 0.000 1.040 402 S CA 0.645 58.824 58.200 -0.035 0.000 0.915 402 S CB 0.905 64.065 63.200 -0.067 0.000 0.831 402 S HN 0.481 nan 8.310 nan 0.000 0.492 403 G N 1.447 110.227 108.800 -0.034 0.000 2.179 403 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.260 403 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.260 403 G C -0.098 174.779 174.900 -0.039 0.000 0.977 403 G CA 0.356 45.437 45.100 -0.032 0.000 0.641 403 G HN 0.594 nan 8.290 nan 0.000 0.533 404 K N 0.653 121.019 120.400 -0.056 0.000 2.130 404 K HA 0.465 4.785 4.320 -0.000 0.000 0.268 404 K C 0.342 176.961 176.600 0.032 0.000 0.983 404 K CA -0.570 55.689 56.287 -0.046 0.000 0.893 404 K CB 1.170 33.560 32.500 -0.184 0.000 1.066 404 K HN 0.150 nan 8.250 nan 0.000 0.450 405 K N 2.751 123.197 120.400 0.077 0.000 2.218 405 K HA 0.230 4.549 4.320 -0.000 0.000 0.276 405 K C -2.435 174.221 176.600 0.094 0.000 1.022 405 K CA -1.842 54.481 56.287 0.060 0.000 0.946 405 K CB 0.556 33.074 32.500 0.030 0.000 1.000 405 K HN 0.262 nan 8.250 nan 0.000 0.468 406 P HA 0.067 nan 4.420 nan 0.000 0.271 406 P C -0.601 176.625 177.300 -0.124 0.000 1.216 406 P CA -0.082 63.000 63.100 -0.030 0.000 0.776 406 P CB 0.413 32.085 31.700 -0.046 0.000 0.881 407 I N -1.162 119.244 120.570 -0.273 0.000 2.957 407 I HA 0.687 4.857 4.170 -0.000 0.000 0.310 407 I C 0.296 176.262 176.117 -0.251 0.000 1.063 407 I CA -0.685 60.431 61.300 -0.307 0.000 1.033 407 I CB 2.635 40.330 38.000 -0.508 0.000 1.230 407 I HN 0.302 nan 8.210 nan 0.000 0.447 408 T N -1.691 112.750 114.554 -0.188 0.000 3.130 408 T HA 0.198 4.548 4.350 -0.000 0.000 0.288 408 T C 0.385 175.015 174.700 -0.117 0.000 0.936 408 T CA -0.135 61.883 62.100 -0.137 0.000 0.897 408 T CB 0.010 68.820 68.868 -0.095 0.000 1.178 408 T HN 0.683 nan 8.240 nan 0.000 0.543 409 Q N 2.318 122.039 119.800 -0.131 0.000 2.199 409 Q HA 0.456 4.796 4.340 -0.000 0.000 0.232 409 Q C 0.041 175.976 176.000 -0.107 0.000 0.969 409 Q CA -0.970 54.773 55.803 -0.099 0.000 0.925 409 Q CB 1.036 29.720 28.738 -0.090 0.000 1.198 409 Q HN 0.356 nan 8.270 nan 0.000 0.494 410 R N 2.368 122.827 120.500 -0.068 0.000 2.486 410 R HA -0.036 4.303 4.340 -0.000 0.000 0.303 410 R C -1.721 174.533 176.300 -0.076 0.000 0.958 410 R CA -0.684 55.389 56.100 -0.045 0.000 1.077 410 R CB 0.090 30.380 30.300 -0.017 0.000 0.921 410 R HN 0.546 nan 8.270 nan 0.000 0.406 411 P HA -0.178 nan 4.420 nan 0.000 0.216 411 P C 0.536 177.786 177.300 -0.083 0.000 1.150 411 P CA 1.717 64.714 63.100 -0.173 0.000 0.843 411 P CB 0.150 31.641 31.700 -0.349 0.000 0.787 412 A N -0.558 122.268 122.820 0.010 0.000 2.121 412 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 412 A C 1.760 179.320 177.584 -0.039 0.000 1.154 412 A CA 1.593 53.633 52.037 0.005 0.000 0.679 412 A CB -1.277 17.736 19.000 0.021 0.000 0.795 412 A HN 0.080 nan 8.150 nan 0.000 0.458 413 D N -0.075 120.294 120.400 -0.051 0.000 2.218 413 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 413 D C 1.576 177.846 176.300 -0.050 0.000 0.976 413 D CA 0.945 54.911 54.000 -0.056 0.000 0.853 413 D CB -0.102 40.662 40.800 -0.060 0.000 0.939 413 D HN 0.523 nan 8.370 nan 0.000 0.481 414 L N -0.404 120.787 121.223 -0.053 0.000 2.529 414 L HA 0.162 4.501 4.340 -0.000 0.000 0.223 414 L C 0.556 177.409 176.870 -0.028 0.000 1.113 414 L CA -0.097 54.719 54.840 -0.040 0.000 0.861 414 L CB 0.047 42.080 42.059 -0.043 0.000 1.012 414 L HN -0.092 nan 8.230 nan 0.000 0.461 415 L N 2.929 124.135 121.223 -0.029 0.000 2.367 415 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 415 L C -1.893 174.975 176.870 -0.003 0.000 1.129 415 L CA -1.525 53.304 54.840 -0.018 0.000 0.839 415 L CB 0.316 42.365 42.059 -0.018 0.000 1.133 415 L HN -0.116 nan 8.230 nan 0.000 0.453 416 P HA 0.379 nan 4.420 nan 0.000 0.281 416 P C -2.697 174.631 177.300 0.047 0.000 1.264 416 P CA -2.171 60.942 63.100 0.021 0.000 0.824 416 P CB 0.390 32.102 31.700 0.020 0.000 1.092 417 P HA 0.013 nan 4.420 nan 0.000 0.266 417 P C 0.390 177.761 177.300 0.118 0.000 1.195 417 P CA 0.597 63.755 63.100 0.096 0.000 0.768 417 P CB 0.184 31.938 31.700 0.089 0.000 0.838 418 E N 1.500 121.805 120.200 0.175 0.000 2.679 418 E HA 0.006 4.356 4.350 -0.000 0.000 0.221 418 E C 1.140 177.869 176.600 0.214 0.000 0.928 418 E CA -0.429 56.073 56.400 0.169 0.000 1.296 418 E CB -0.680 29.120 29.700 0.167 0.000 1.235 418 E HN 0.460 nan 8.360 nan 0.000 0.622 419 W N 2.534 123.891 121.300 0.095 0.000 2.333 419 W HA -0.204 4.456 4.660 -0.000 0.000 0.316 419 W C 1.499 178.075 176.519 0.094 0.000 1.215 419 W CA 2.363 59.770 57.345 0.103 0.000 1.278 419 W CB 0.164 29.677 29.460 0.088 0.000 1.154 419 W HN 0.153 nan 8.180 nan 0.000 0.486 420 E N 0.657 120.913 120.200 0.092 0.000 2.118 420 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 420 E C 2.173 178.718 176.600 -0.091 0.000 0.992 420 E CA 2.012 58.396 56.400 -0.026 0.000 0.804 420 E CB -0.525 29.221 29.700 0.075 0.000 0.741 420 E HN 0.215 nan 8.360 nan 0.000 0.458 421 K N -0.239 120.147 120.400 -0.024 0.000 2.057 421 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 421 K C 2.004 178.583 176.600 -0.036 0.000 1.049 421 K CA 1.261 57.541 56.287 -0.013 0.000 0.931 421 K CB 0.051 32.574 32.500 0.040 0.000 0.714 421 K HN 0.074 nan 8.250 nan 0.000 0.440 422 Q N 0.361 120.127 119.800 -0.057 0.000 2.079 422 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 422 Q C 2.288 178.159 176.000 -0.215 0.000 0.974 422 Q CA 1.468 57.264 55.803 -0.012 0.000 0.840 422 Q CB -0.234 28.482 28.738 -0.037 0.000 0.898 422 Q HN 0.277 nan 8.270 nan 0.000 0.430 423 S N 1.221 116.647 115.700 -0.458 0.000 2.359 423 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 423 S C 1.880 176.258 174.600 -0.370 0.000 1.035 423 S CA 1.469 59.390 58.200 -0.465 0.000 1.018 423 S CB -0.155 62.763 63.200 -0.470 0.000 0.876 423 S HN 0.335 nan 8.310 nan 0.000 0.448 424 K N 1.186 121.428 120.400 -0.262 0.000 2.009 424 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 424 K C 2.024 178.449 176.600 -0.293 0.000 1.049 424 K CA 1.629 57.783 56.287 -0.221 0.000 0.929 424 K CB -0.183 32.239 32.500 -0.130 0.000 0.714 424 K HN 0.399 nan 8.250 nan 0.000 0.440 425 E N 0.015 120.049 120.200 -0.277 0.000 2.085 425 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 425 E C 2.023 178.205 176.600 -0.697 0.000 0.994 425 E CA 1.124 57.310 56.400 -0.357 0.000 0.801 425 E CB -0.170 29.427 29.700 -0.171 0.000 0.743 425 E HN 0.449 nan 8.360 nan 0.000 0.453 426 A N 1.609 123.891 122.820 -0.896 0.000 1.933 426 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 426 A C 2.387 179.253 177.584 -1.197 0.000 1.175 426 A CA 1.544 52.969 52.037 -1.019 0.000 0.628 426 A CB -0.564 18.028 19.000 -0.681 0.000 0.814 426 A HN 0.281 nan 8.150 nan 0.000 0.444 427 A N -0.337 121.762 122.820 -1.202 0.000 2.178 427 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 427 A C 2.031 179.356 177.584 -0.433 0.000 1.157 427 A CA 1.934 53.367 52.037 -1.008 0.000 0.689 427 A CB -1.018 17.684 19.000 -0.496 0.000 0.787 427 A HN 0.795 nan 8.150 nan 0.000 0.465 428 T N -2.512 111.822 114.554 -0.367 0.000 3.163 428 T HA 0.488 4.838 4.350 -0.000 0.000 0.252 428 T C 0.177 174.808 174.700 -0.115 0.000 1.056 428 T CA -0.271 61.718 62.100 -0.186 0.000 0.947 428 T CB -0.512 68.261 68.868 -0.158 0.000 1.016 428 T HN 0.191 nan 8.240 nan 0.000 0.554 429 L N 1.888 123.048 121.223 -0.105 0.000 2.295 429 L HA 0.471 4.811 4.340 -0.000 0.000 0.285 429 L C 0.357 177.295 176.870 0.113 0.000 1.035 429 L CA -1.165 53.710 54.840 0.058 0.000 0.806 429 L CB 1.562 43.756 42.059 0.225 0.000 1.214 429 L HN 0.122 nan 8.230 nan 0.000 0.426 430 K N 2.257 122.712 120.400 0.092 0.000 2.447 430 K HA 0.213 4.532 4.320 -0.000 0.000 0.281 430 K C 0.961 177.616 176.600 0.092 0.000 1.031 430 K CA 1.101 57.425 56.287 0.063 0.000 1.019 430 K CB 0.275 32.793 32.500 0.031 0.000 0.918 430 K HN 0.845 nan 8.250 nan 0.000 0.476 431 G N 4.220 113.036 108.800 0.027 0.000 2.259 431 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 431 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 431 G C 0.059 174.829 174.900 -0.217 0.000 1.001 431 G CA -0.098 44.978 45.100 -0.040 0.000 0.627 431 G HN 0.696 nan 8.290 nan 0.000 0.501 432 F N 3.243 122.944 119.950 -0.414 0.000 2.623 432 F HA 0.306 4.833 4.527 -0.000 0.000 0.383 432 F C 1.295 176.851 175.800 -0.406 0.000 1.077 432 F CA 0.802 58.398 58.000 -0.674 0.000 1.268 432 F CB 0.638 39.405 39.000 -0.388 0.000 1.053 432 F HN 0.245 nan 8.300 nan 0.000 0.571 433 N N 3.648 121.704 118.700 -1.074 0.000 2.235 433 N HA 0.183 4.922 4.740 -0.000 0.000 0.209 433 N C 0.996 176.002 175.510 -0.840 0.000 1.122 433 N CA 0.278 52.898 53.050 -0.716 0.000 0.845 433 N CB 0.454 38.664 38.487 -0.462 0.000 1.004 433 N HN 0.946 nan 8.380 nan 0.000 0.499 434 G N -0.342 107.472 108.800 -1.644 0.000 2.166 434 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.260 434 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.260 434 G C 0.200 174.845 174.900 -0.425 0.000 0.986 434 G CA 0.936 45.531 45.100 -0.841 0.000 0.683 434 G HN 0.839 nan 8.290 nan 0.000 0.527 435 T N -2.883 111.375 114.554 -0.493 0.000 2.934 435 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 435 T C 0.905 175.588 174.700 -0.028 0.000 1.005 435 T CA 0.151 62.130 62.100 -0.202 0.000 1.041 435 T CB 1.739 70.467 68.868 -0.233 0.000 1.042 435 T HN -0.119 nan 8.240 nan 0.000 0.505 436 D N 0.692 121.131 120.400 0.065 0.000 2.178 436 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 436 D C 1.839 178.231 176.300 0.153 0.000 0.980 436 D CA 1.107 55.280 54.000 0.288 0.000 0.842 436 D CB -0.119 40.815 40.800 0.224 0.000 0.948 436 D HN 0.723 nan 8.370 nan 0.000 0.472 437 E N 0.608 120.674 120.200 -0.223 0.000 2.070 437 E HA -0.164 4.185 4.350 -0.000 0.000 0.197 437 E C 1.617 178.258 176.600 0.068 0.000 1.004 437 E CA 1.191 57.235 56.400 -0.594 0.000 0.805 437 E CB -0.110 28.948 29.700 -1.070 0.000 0.744 437 E HN 0.193 nan 8.360 nan 0.000 0.451 438 D N -0.762 119.720 120.400 0.138 0.000 2.144 438 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 438 D C 1.852 178.578 176.300 0.711 0.000 0.978 438 D CA 0.587 54.845 54.000 0.430 0.000 0.833 438 D CB -0.029 40.715 40.800 -0.093 0.000 0.961 438 D HN -0.011 nan 8.370 nan 0.000 0.470 439 V N 0.637 120.892 119.914 0.568 0.000 2.332 439 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 439 V C 2.522 178.896 176.094 0.467 0.000 1.055 439 V CA 1.163 63.716 62.300 0.422 0.000 1.038 439 V CB -0.435 31.391 31.823 0.005 0.000 0.651 439 V HN 0.244 nan 8.190 nan 0.000 0.450 440 L N -0.461 121.103 121.223 0.569 0.000 2.046 440 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 440 L C 2.646 179.890 176.870 0.624 0.000 1.077 440 L CA 1.923 57.131 54.840 0.614 0.000 0.747 440 L CB -0.901 41.606 42.059 0.748 0.000 0.896 440 L HN 0.330 nan 8.230 nan 0.000 0.432 441 T N -1.373 113.671 114.554 0.817 0.000 2.759 441 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 441 T C 1.663 176.734 174.700 0.618 0.000 1.042 441 T CA 1.555 64.171 62.100 0.861 0.000 1.140 441 T CB -0.323 69.095 68.868 0.916 0.000 0.864 441 T HN 0.339 nan 8.240 nan 0.000 0.455 442 Y N 1.828 122.410 120.300 0.470 0.000 2.220 442 Y HA 0.126 4.676 4.550 -0.000 0.000 0.291 442 Y C 2.445 178.494 175.900 0.249 0.000 1.129 442 Y CA 0.677 58.959 58.100 0.303 0.000 1.161 442 Y CB -0.706 37.932 38.460 0.297 0.000 0.997 442 Y HN 0.160 nan 8.280 nan 0.000 0.522 443 A N 0.208 123.123 122.820 0.159 0.000 1.930 443 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 443 A C 2.233 179.848 177.584 0.052 0.000 1.175 443 A CA 1.782 53.856 52.037 0.062 0.000 0.627 443 A CB -0.973 18.113 19.000 0.143 0.000 0.815 443 A HN 0.543 nan 8.150 nan 0.000 0.443 444 L N -2.780 118.431 121.223 -0.020 0.000 2.162 444 L HA 0.092 4.432 4.340 -0.000 0.000 0.205 444 L C 0.064 176.627 176.870 -0.511 0.000 1.086 444 L CA 0.626 55.288 54.840 -0.297 0.000 0.778 444 L CB -0.015 41.796 42.059 -0.413 0.000 0.928 444 L HN 0.357 nan 8.230 nan 0.000 0.446 445 F N -1.260 118.759 119.950 0.115 0.000 2.710 445 F HA 0.311 4.838 4.527 -0.000 0.000 0.345 445 F C -1.858 173.900 175.800 -0.069 0.000 1.362 445 F CA -1.638 56.383 58.000 0.035 0.000 1.175 445 F CB 0.458 39.482 39.000 0.040 0.000 1.561 445 F HN -0.223 nan 8.300 nan 0.000 0.593 446 P HA -0.201 nan 4.420 nan 0.000 0.216 446 P C 1.159 178.442 177.300 -0.029 0.000 1.153 446 P CA 1.719 64.646 63.100 -0.287 0.000 0.858 446 P CB 0.229 31.706 31.700 -0.372 0.000 0.789 447 Q N -1.441 118.343 119.800 -0.027 0.000 2.424 447 Q HA 0.038 4.378 4.340 -0.000 0.000 0.204 447 Q C 1.546 177.570 176.000 0.041 0.000 0.933 447 Q CA 0.538 56.347 55.803 0.011 0.000 0.929 447 Q CB 0.081 28.800 28.738 -0.030 0.000 1.037 447 Q HN 0.177 nan 8.270 nan 0.000 0.511 448 V N -0.358 119.593 119.914 0.061 0.000 2.922 448 V HA 0.045 4.165 4.120 -0.000 0.000 0.242 448 V C 2.097 178.204 176.094 0.022 0.000 1.094 448 V CA 1.061 63.379 62.300 0.030 0.000 1.106 448 V CB -0.173 31.631 31.823 -0.031 0.000 0.799 448 V HN 0.258 nan 8.190 nan 0.000 0.474 449 A N 1.213 124.035 122.820 0.002 0.000 1.903 449 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 449 A C 0.405 177.776 177.584 -0.355 0.000 1.191 449 A CA 2.512 54.381 52.037 -0.281 0.000 0.638 449 A CB -1.926 16.995 19.000 -0.133 0.000 0.823 449 A HN 0.510 nan 8.150 nan 0.000 0.451 450 P HA -0.140 nan 4.420 nan 0.000 0.213 450 P C 1.688 179.044 177.300 0.094 0.000 1.170 450 P CA 1.678 64.821 63.100 0.072 0.000 0.902 450 P CB -0.173 31.591 31.700 0.106 0.000 0.789 451 V N -1.121 118.861 119.914 0.113 0.000 2.343 451 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 451 V C 2.221 178.471 176.094 0.260 0.000 1.051 451 V CA 1.749 64.165 62.300 0.194 0.000 1.036 451 V CB -1.316 30.622 31.823 0.191 0.000 0.654 451 V HN 0.014 nan 8.190 nan 0.000 0.451 452 F N 0.638 120.617 119.950 0.048 0.000 2.075 452 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 452 F C 2.157 178.089 175.800 0.220 0.000 1.113 452 F CA 1.391 59.440 58.000 0.080 0.000 1.218 452 F CB -0.690 38.285 39.000 -0.041 0.000 0.984 452 F HN 0.135 nan 8.300 nan 0.000 0.472 453 F N 0.567 120.463 119.950 -0.091 0.000 2.202 453 F HA -0.245 4.282 4.527 -0.000 0.000 0.301 453 F C 2.579 178.263 175.800 -0.194 0.000 1.082 453 F CA 1.170 59.052 58.000 -0.197 0.000 1.313 453 F CB -0.485 38.543 39.000 0.047 0.000 1.024 453 F HN 0.153 nan 8.300 nan 0.000 0.495 454 E N -0.535 119.698 120.200 0.055 0.000 2.152 454 E HA -0.178 4.171 4.350 -0.000 0.000 0.192 454 E C 1.618 178.058 176.600 -0.267 0.000 0.983 454 E CA 0.966 57.292 56.400 -0.123 0.000 0.818 454 E CB 0.034 29.619 29.700 -0.191 0.000 0.758 454 E HN 0.451 nan 8.360 nan 0.000 0.467 455 H N -0.901 118.158 119.070 -0.018 0.000 2.705 455 H HA 0.132 4.688 4.556 -0.000 0.000 0.269 455 H C 1.794 177.077 175.328 -0.074 0.000 0.998 455 H CA 0.258 56.306 56.048 -0.000 0.000 1.193 455 H CB 0.327 30.134 29.762 0.075 0.000 1.485 455 H HN 0.134 nan 8.280 nan 0.000 0.521 456 R N 1.528 121.925 120.500 -0.172 0.000 2.133 456 R HA -0.153 4.186 4.340 -0.000 0.000 0.247 456 R C 2.106 178.341 176.300 -0.108 0.000 1.151 456 R CA 1.455 57.379 56.100 -0.294 0.000 0.971 456 R CB -0.089 29.825 30.300 -0.644 0.000 0.866 456 R HN 0.189 nan 8.270 nan 0.000 0.447 457 A N 0.713 123.489 122.820 -0.074 0.000 2.070 457 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 457 A C 1.653 179.243 177.584 0.011 0.000 1.159 457 A CA 1.569 53.586 52.037 -0.033 0.000 0.656 457 A CB -0.321 18.661 19.000 -0.031 0.000 0.800 457 A HN 0.585 nan 8.150 nan 0.000 0.453 458 E N -0.982 119.249 120.200 0.052 0.000 2.418 458 E HA 0.308 4.658 4.350 -0.000 0.000 0.197 458 E C 0.964 177.602 176.600 0.063 0.000 1.026 458 E CA 0.235 56.705 56.400 0.116 0.000 0.862 458 E CB -0.172 29.677 29.700 0.248 0.000 0.799 458 E HN 0.746 nan 8.360 nan 0.000 0.518 459 G N 1.706 110.477 108.800 -0.048 0.000 2.712 459 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 459 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 459 G C -2.909 171.774 174.900 -0.363 0.000 1.321 459 G CA -1.163 43.872 45.100 -0.109 0.000 0.813 459 G HN -0.118 nan 8.290 nan 0.000 0.599 460 P HA 0.307 nan 4.420 nan 0.000 0.268 460 P C -0.073 177.076 177.300 -0.251 0.000 1.205 460 P CA 0.130 63.098 63.100 -0.220 0.000 0.771 460 P CB 0.494 32.160 31.700 -0.057 0.000 0.858 461 H N -0.593 118.520 119.070 0.071 0.000 2.896 461 H HA 0.666 5.222 4.556 -0.000 0.000 0.318 461 H C -0.418 174.943 175.328 0.055 0.000 1.409 461 H CA -0.792 55.291 56.048 0.057 0.000 1.328 461 H CB 1.348 31.143 29.762 0.056 0.000 1.940 461 H HN 0.256 nan 8.280 nan 0.000 0.665 462 S N 0.145 115.964 115.700 0.198 0.000 2.541 462 S HA 0.346 4.816 4.470 -0.000 0.000 0.280 462 S C 0.287 174.934 174.600 0.078 0.000 1.112 462 S CA -0.559 57.707 58.200 0.111 0.000 0.925 462 S CB 0.782 64.024 63.200 0.069 0.000 1.067 462 S HN 0.464 nan 8.310 nan 0.000 0.479 463 V N 1.951 121.903 119.914 0.065 0.000 3.376 463 V HA 0.697 4.817 4.120 -0.000 0.000 0.313 463 V C 0.686 176.848 176.094 0.113 0.000 1.393 463 V CA 0.195 62.555 62.300 0.099 0.000 1.125 463 V CB -0.583 31.322 31.823 0.137 0.000 1.037 463 V HN 0.820 nan 8.190 nan 0.000 0.440 464 A N 0.785 123.554 122.820 -0.085 0.000 2.286 464 A HA 0.750 5.069 4.320 -0.000 0.000 0.286 464 A C 0.044 177.516 177.584 -0.187 0.000 1.097 464 A CA -0.691 51.157 52.037 -0.315 0.000 0.821 464 A CB 0.518 18.937 19.000 -0.969 0.000 1.076 464 A HN 0.482 nan 8.150 nan 0.000 0.490 465 L N 1.348 122.462 121.223 -0.182 0.000 2.485 465 L HA 0.200 4.540 4.340 -0.000 0.000 0.275 465 L C 1.366 178.176 176.870 -0.101 0.000 1.207 465 L CA -0.154 54.618 54.840 -0.114 0.000 0.855 465 L CB 0.368 42.369 42.059 -0.096 0.000 1.114 465 L HN 0.945 nan 8.230 nan 0.000 0.485 466 T N -2.569 111.946 114.554 -0.065 0.000 2.816 466 T HA 0.098 4.448 4.350 -0.000 0.000 0.282 466 T C 0.811 175.487 174.700 -0.039 0.000 0.993 466 T CA -0.869 61.203 62.100 -0.047 0.000 0.994 466 T CB 1.102 69.950 68.868 -0.033 0.000 1.025 466 T HN 0.533 nan 8.240 nan 0.000 0.529 467 D N 0.862 121.245 120.400 -0.028 0.000 2.149 467 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 467 D C 2.340 178.628 176.300 -0.021 0.000 0.990 467 D CA 1.641 55.628 54.000 -0.022 0.000 0.839 467 D CB -0.571 40.219 40.800 -0.017 0.000 0.948 467 D HN 0.744 nan 8.370 nan 0.000 0.460 468 A N 1.206 124.014 122.820 -0.020 0.000 1.883 468 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 468 A C 2.164 179.735 177.584 -0.022 0.000 1.186 468 A CA 1.518 53.544 52.037 -0.019 0.000 0.624 468 A CB -0.705 18.285 19.000 -0.017 0.000 0.822 468 A HN 0.228 nan 8.150 nan 0.000 0.444 469 Q N -0.650 119.133 119.800 -0.028 0.000 2.167 469 Q HA -0.032 4.307 4.340 -0.000 0.000 0.202 469 Q C 2.086 178.067 176.000 -0.032 0.000 0.970 469 Q CA 1.038 56.822 55.803 -0.032 0.000 0.855 469 Q CB -0.261 28.452 28.738 -0.042 0.000 0.911 469 Q HN 0.667 nan 8.270 nan 0.000 0.438 470 L N 0.591 121.796 121.223 -0.030 0.000 2.027 470 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 470 L C 2.247 179.107 176.870 -0.018 0.000 1.074 470 L CA 1.400 56.226 54.840 -0.024 0.000 0.745 470 L CB -0.229 41.818 42.059 -0.020 0.000 0.898 470 L HN 0.183 nan 8.230 nan 0.000 0.433 471 K N -0.046 120.344 120.400 -0.016 0.000 1.985 471 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 471 K C 2.149 178.741 176.600 -0.013 0.000 1.047 471 K CA 1.480 57.759 56.287 -0.012 0.000 0.932 471 K CB -0.433 32.060 32.500 -0.011 0.000 0.716 471 K HN 0.261 nan 8.250 nan 0.000 0.439 472 A N 1.637 124.448 122.820 -0.015 0.000 1.997 472 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 472 A C 2.064 179.638 177.584 -0.017 0.000 1.172 472 A CA 2.008 54.035 52.037 -0.016 0.000 0.645 472 A CB -0.514 18.476 19.000 -0.018 0.000 0.813 472 A HN 0.494 nan 8.150 nan 0.000 0.454 473 E N -0.678 119.510 120.200 -0.020 0.000 2.216 473 E HA 0.213 4.563 4.350 -0.000 0.000 0.192 473 E C 1.014 177.604 176.600 -0.016 0.000 0.988 473 E CA 0.441 56.829 56.400 -0.021 0.000 0.834 473 E CB -0.078 29.606 29.700 -0.027 0.000 0.772 473 E HN 0.636 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 -0.009 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486