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 1gk2_1_D DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNGH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.706 174.700 0.010 0.000 1.109 1 T CA 0.000 62.104 62.100 0.006 0.000 1.349 1 T CB 0.000 68.873 68.868 0.009 0.000 0.612 2 E N 2.176 122.382 120.200 0.009 0.000 2.089 2 E HA 0.369 4.716 4.350 -0.004 0.000 0.284 2 E C -0.864 175.743 176.600 0.011 0.000 1.023 2 E CA -0.552 55.855 56.400 0.011 0.000 0.819 2 E CB 1.073 30.778 29.700 0.009 0.000 1.076 2 E HN 0.297 nan 8.360 nan 0.000 0.396 3 L N 4.036 125.268 121.223 0.015 0.000 2.275 3 L HA 0.302 4.639 4.340 -0.004 0.000 0.288 3 L C -0.347 176.533 176.870 0.016 0.000 1.046 3 L CA -0.059 54.791 54.840 0.016 0.000 0.805 3 L CB 1.558 43.629 42.059 0.020 0.000 1.193 3 L HN 0.179 nan 8.230 nan 0.000 0.426 4 T N 6.684 121.247 114.554 0.015 0.000 2.762 4 T HA 0.329 4.677 4.350 -0.004 0.000 0.303 4 T C -0.429 174.282 174.700 0.018 0.000 0.977 4 T CA -0.196 61.913 62.100 0.015 0.000 0.961 4 T CB 0.235 69.110 68.868 0.012 0.000 0.944 4 T HN 0.472 nan 8.240 nan 0.000 0.481 5 L N 4.888 126.124 121.223 0.021 0.000 2.315 5 L HA 0.341 4.678 4.340 -0.004 0.000 0.283 5 L C 0.107 176.992 176.870 0.025 0.000 1.089 5 L CA 0.035 54.890 54.840 0.025 0.000 0.833 5 L CB 0.025 42.101 42.059 0.029 0.000 1.170 5 L HN 0.388 nan 8.230 nan 0.000 0.442 6 K N 7.535 127.951 120.400 0.026 0.000 2.263 6 K HA 0.337 4.655 4.320 -0.004 0.000 0.282 6 K C -2.293 174.329 176.600 0.037 0.000 1.089 6 K CA -1.670 54.635 56.287 0.029 0.000 0.907 6 K CB 0.464 32.980 32.500 0.027 0.000 1.148 6 K HN 0.455 nan 8.250 nan 0.000 0.470 7 P HA -0.078 nan 4.420 nan 0.000 0.264 7 P C 0.720 178.056 177.300 0.060 0.000 1.183 7 P CA 0.735 63.866 63.100 0.052 0.000 0.763 7 P CB 0.652 32.387 31.700 0.058 0.000 0.807 8 G N 2.085 110.919 108.800 0.057 0.000 2.176 8 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.253 8 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.253 8 G C 0.573 175.499 174.900 0.043 0.000 0.979 8 G CA 0.521 45.653 45.100 0.054 0.000 0.641 8 G HN 0.737 nan 8.290 nan 0.000 0.530 9 T N -1.266 113.312 114.554 0.040 0.000 3.182 9 T HA 0.620 4.967 4.350 -0.004 0.000 0.277 9 T C 0.840 175.559 174.700 0.032 0.000 1.013 9 T CA -0.276 61.843 62.100 0.033 0.000 0.900 9 T CB 0.177 69.063 68.868 0.031 0.000 1.098 9 T HN 0.405 nan 8.240 nan 0.000 0.543 10 L N 3.694 124.939 121.223 0.036 0.000 2.499 10 L HA 0.305 4.642 4.340 -0.004 0.000 0.273 10 L C 1.223 178.116 176.870 0.039 0.000 1.195 10 L CA -0.255 54.608 54.840 0.038 0.000 0.882 10 L CB 0.563 42.650 42.059 0.046 0.000 1.133 10 L HN 0.428 nan 8.230 nan 0.000 0.483 11 T N -0.021 114.555 114.554 0.036 0.000 2.902 11 T HA 0.321 4.669 4.350 -0.004 0.000 0.280 11 T C 1.278 176.011 174.700 0.055 0.000 0.992 11 T CA -0.883 61.239 62.100 0.037 0.000 1.015 11 T CB 1.179 70.062 68.868 0.025 0.000 1.044 11 T HN 0.463 nan 8.240 nan 0.000 0.520 12 L N 1.008 122.271 121.223 0.067 0.000 2.083 12 L HA -0.035 4.302 4.340 -0.004 0.000 0.209 12 L C 3.122 180.044 176.870 0.087 0.000 1.083 12 L CA 1.541 56.455 54.840 0.124 0.000 0.752 12 L CB -0.917 41.217 42.059 0.126 0.000 0.899 12 L HN 0.961 nan 8.230 nan 0.000 0.433 13 A N -0.586 122.250 122.820 0.026 0.000 1.933 13 A HA -0.235 4.082 4.320 -0.004 0.000 0.218 13 A C 2.207 179.763 177.584 -0.047 0.000 1.175 13 A CA 1.392 53.411 52.037 -0.030 0.000 0.628 13 A CB -0.361 18.627 19.000 -0.021 0.000 0.814 13 A HN 0.463 nan 8.150 nan 0.000 0.444 14 Q N -0.519 119.277 119.800 -0.007 0.000 2.079 14 Q HA -0.077 4.261 4.340 -0.004 0.000 0.200 14 Q C 2.051 178.054 176.000 0.005 0.000 0.974 14 Q CA 1.372 57.174 55.803 -0.002 0.000 0.840 14 Q CB -0.307 28.442 28.738 0.019 0.000 0.898 14 Q HN 0.682 nan 8.270 nan 0.000 0.430 15 L N 0.240 121.492 121.223 0.050 0.000 2.046 15 L HA -0.206 4.132 4.340 -0.004 0.000 0.208 15 L C 2.665 179.533 176.870 -0.003 0.000 1.077 15 L CA 1.278 56.192 54.840 0.124 0.000 0.747 15 L CB -0.435 41.784 42.059 0.266 0.000 0.896 15 L HN 0.190 nan 8.230 nan 0.000 0.432 16 R N 0.500 120.787 120.500 -0.355 0.000 2.091 16 R HA -0.213 4.125 4.340 -0.004 0.000 0.238 16 R C 2.296 178.373 176.300 -0.372 0.000 1.136 16 R CA 1.614 57.147 56.100 -0.946 0.000 0.959 16 R CB -0.298 29.452 30.300 -0.916 0.000 0.856 16 R HN 0.337 nan 8.270 nan 0.000 0.437 17 A N 0.931 123.634 122.820 -0.195 0.000 1.902 17 A HA -0.127 4.190 4.320 -0.004 0.000 0.217 17 A C 2.163 179.715 177.584 -0.054 0.000 1.181 17 A CA 1.463 53.438 52.037 -0.103 0.000 0.623 17 A CB -0.444 18.517 19.000 -0.064 0.000 0.818 17 A HN 0.395 nan 8.150 nan 0.000 0.443 18 I N -1.399 119.161 120.570 -0.015 0.000 2.315 18 I HA -0.242 3.925 4.170 -0.004 0.000 0.248 18 I C 2.527 178.671 176.117 0.045 0.000 1.117 18 I CA 1.511 62.829 61.300 0.030 0.000 1.404 18 I CB -0.404 37.634 38.000 0.064 0.000 1.071 18 I HN 0.540 nan 8.210 nan 0.000 0.419 19 H N 1.014 120.055 119.070 -0.048 0.000 2.389 19 H HA -0.090 4.463 4.556 -0.005 0.000 0.299 19 H C 2.146 177.421 175.328 -0.087 0.000 1.081 19 H CA 1.530 57.555 56.048 -0.039 0.000 1.345 19 H CB 0.399 30.191 29.762 0.050 0.000 1.393 19 H HN 0.349 nan 8.280 nan 0.000 0.520 20 A N 0.583 123.329 122.820 -0.124 0.000 1.975 20 A HA 0.429 4.747 4.320 -0.004 0.000 0.215 20 A C 1.079 178.581 177.584 -0.137 0.000 1.170 20 A CA 0.793 52.733 52.037 -0.162 0.000 0.656 20 A CB -0.052 18.882 19.000 -0.110 0.000 0.821 20 A HN 0.483 nan 8.150 nan 0.000 0.449 21 A N -1.330 121.433 122.820 -0.095 0.000 2.587 21 A HA 0.679 4.996 4.320 -0.004 0.000 0.293 21 A C -3.155 174.414 177.584 -0.026 0.000 1.087 21 A CA -1.630 50.370 52.037 -0.062 0.000 0.692 21 A CB 0.448 19.422 19.000 -0.044 0.000 1.291 21 A HN -0.000 nan 8.150 nan 0.000 0.407 22 P HA 0.350 nan 4.420 nan 0.000 0.270 22 P C -0.670 176.659 177.300 0.049 0.000 1.227 22 P CA -0.036 63.102 63.100 0.062 0.000 0.788 22 P CB 0.600 32.349 31.700 0.081 0.000 0.926 23 V N 1.578 121.534 119.914 0.070 0.000 3.049 23 V HA 0.478 4.596 4.120 -0.004 0.000 0.309 23 V C -0.564 175.558 176.094 0.046 0.000 1.148 23 V CA -0.812 61.517 62.300 0.048 0.000 0.990 23 V CB 2.568 34.419 31.823 0.046 0.000 1.039 23 V HN 0.321 nan 8.190 nan 0.000 0.430 24 R N 3.745 124.264 120.500 0.031 0.000 2.288 24 R HA 0.709 5.046 4.340 -0.004 0.000 0.326 24 R C -0.858 175.456 176.300 0.023 0.000 0.959 24 R CA -0.226 55.889 56.100 0.025 0.000 0.834 24 R CB 1.016 31.327 30.300 0.018 0.000 1.157 24 R HN 0.706 nan 8.270 nan 0.000 0.470 25 L N -0.062 121.176 121.223 0.024 0.000 2.301 25 L HA 0.791 5.128 4.340 -0.004 0.000 0.264 25 L C -1.088 175.793 176.870 0.017 0.000 1.016 25 L CA -1.072 53.782 54.840 0.023 0.000 0.821 25 L CB 2.366 44.442 42.059 0.029 0.000 1.346 25 L HN 0.334 nan 8.230 nan 0.000 0.429 26 Q N 1.281 121.091 119.800 0.016 0.000 2.315 26 Q HA 0.560 4.898 4.340 -0.004 0.000 0.273 26 Q C -1.476 174.533 176.000 0.014 0.000 1.053 26 Q CA -0.384 55.426 55.803 0.013 0.000 0.817 26 Q CB 2.387 31.131 28.738 0.009 0.000 1.326 26 Q HN 0.684 nan 8.270 nan 0.000 0.423 27 L N 2.328 123.559 121.223 0.013 0.000 2.416 27 L HA 0.196 4.533 4.340 -0.004 0.000 0.272 27 L C -0.132 176.744 176.870 0.011 0.000 1.161 27 L CA 0.421 55.269 54.840 0.014 0.000 0.845 27 L CB 0.644 42.710 42.059 0.011 0.000 1.119 27 L HN 0.673 nan 8.230 nan 0.000 0.464 28 D N 2.197 122.605 120.400 0.013 0.000 2.443 28 D HA 0.173 4.810 4.640 -0.004 0.000 0.239 28 D C 1.039 177.344 176.300 0.008 0.000 1.136 28 D CA 0.691 54.698 54.000 0.011 0.000 0.879 28 D CB 1.201 42.009 40.800 0.014 0.000 1.195 28 D HN 0.693 nan 8.370 nan 0.000 0.443 29 A N 2.491 125.314 122.820 0.005 0.000 1.978 29 A HA -0.178 4.139 4.320 -0.004 0.000 0.220 29 A C 2.077 179.661 177.584 0.001 0.000 1.170 29 A CA 1.812 53.850 52.037 0.002 0.000 0.636 29 A CB -0.837 18.163 19.000 0.002 0.000 0.810 29 A HN 0.651 nan 8.150 nan 0.000 0.448 30 S N -0.380 115.323 115.700 0.004 0.000 2.537 30 S HA 0.180 4.647 4.470 -0.004 0.000 0.240 30 S C 1.657 176.258 174.600 0.002 0.000 0.981 30 S CA 0.977 59.180 58.200 0.003 0.000 0.948 30 S CB -0.361 62.844 63.200 0.008 0.000 0.759 30 S HN 0.821 nan 8.310 nan 0.000 0.531 31 A N 1.259 124.081 122.820 0.003 0.000 2.081 31 A HA 0.621 4.938 4.320 -0.004 0.000 0.214 31 A C 2.400 179.977 177.584 -0.012 0.000 1.158 31 A CA 0.818 52.855 52.037 0.001 0.000 0.724 31 A CB -1.080 17.925 19.000 0.009 0.000 0.826 31 A HN 0.719 nan 8.150 nan 0.000 0.463 32 A N 1.077 123.890 122.820 -0.011 0.000 1.892 32 A HA -0.089 4.229 4.320 -0.004 0.000 0.218 32 A C 0.236 177.804 177.584 -0.026 0.000 1.188 32 A CA 2.038 54.065 52.037 -0.017 0.000 0.631 32 A CB -1.725 17.268 19.000 -0.012 0.000 0.822 32 A HN 0.431 nan 8.150 nan 0.000 0.447 33 P HA -0.180 nan 4.420 nan 0.000 0.214 33 P C 1.778 179.045 177.300 -0.054 0.000 1.163 33 P CA 2.239 65.319 63.100 -0.034 0.000 0.889 33 P CB -0.162 31.522 31.700 -0.027 0.000 0.790 34 A N -1.252 121.525 122.820 -0.070 0.000 1.930 34 A HA -0.135 4.182 4.320 -0.004 0.000 0.217 34 A C 2.212 179.718 177.584 -0.130 0.000 1.175 34 A CA 1.241 53.204 52.037 -0.124 0.000 0.627 34 A CB -1.566 17.336 19.000 -0.164 0.000 0.815 34 A HN 0.101 nan 8.150 nan 0.000 0.443 35 I N 0.048 120.566 120.570 -0.086 0.000 2.179 35 I HA -0.240 3.928 4.170 -0.004 0.000 0.242 35 I C 1.793 177.872 176.117 -0.063 0.000 1.088 35 I CA 1.574 62.833 61.300 -0.069 0.000 1.357 35 I CB -0.396 37.580 38.000 -0.039 0.000 1.051 35 I HN 0.229 nan 8.210 nan 0.000 0.409 36 D N 1.009 121.378 120.400 -0.051 0.000 2.144 36 D HA -0.099 4.538 4.640 -0.004 0.000 0.200 36 D C 2.259 178.530 176.300 -0.049 0.000 0.978 36 D CA 1.410 55.384 54.000 -0.042 0.000 0.833 36 D CB -0.257 40.524 40.800 -0.032 0.000 0.961 36 D HN 0.327 nan 8.370 nan 0.000 0.470 37 A N 0.516 123.300 122.820 -0.060 0.000 1.940 37 A HA -0.195 4.122 4.320 -0.004 0.000 0.219 37 A C 2.353 179.895 177.584 -0.070 0.000 1.176 37 A CA 2.007 54.007 52.037 -0.061 0.000 0.631 37 A CB -0.724 18.235 19.000 -0.070 0.000 0.814 37 A HN 0.209 nan 8.150 nan 0.000 0.446 38 S N -0.669 114.973 115.700 -0.096 0.000 2.356 38 S HA -0.138 4.329 4.470 -0.004 0.000 0.223 38 S C 1.924 176.483 174.600 -0.069 0.000 1.032 38 S CA 1.652 59.792 58.200 -0.100 0.000 1.005 38 S CB -0.490 62.633 63.200 -0.127 0.000 0.867 38 S HN 0.345 nan 8.310 nan 0.000 0.449 39 V N 2.189 122.069 119.914 -0.058 0.000 2.343 39 V HA -0.160 3.958 4.120 -0.004 0.000 0.247 39 V C 2.777 178.849 176.094 -0.037 0.000 1.051 39 V CA 1.742 64.016 62.300 -0.044 0.000 1.036 39 V CB -1.405 30.395 31.823 -0.038 0.000 0.654 39 V HN 0.588 nan 8.190 nan 0.000 0.451 40 A N -0.829 121.970 122.820 -0.035 0.000 1.940 40 A HA -0.304 4.013 4.320 -0.004 0.000 0.219 40 A C 2.433 180.003 177.584 -0.024 0.000 1.176 40 A CA 2.145 54.165 52.037 -0.027 0.000 0.631 40 A CB -1.128 17.857 19.000 -0.026 0.000 0.814 40 A HN 0.649 nan 8.150 nan 0.000 0.446 41 C N -1.153 118.130 119.300 -0.028 0.000 2.457 41 C HA 0.009 4.467 4.460 -0.004 0.000 0.278 41 C C 2.633 177.611 174.990 -0.021 0.000 1.309 41 C CA 1.174 60.180 59.018 -0.020 0.000 1.735 41 C CB -1.365 26.363 27.740 -0.020 0.000 1.992 41 C HN 0.391 nan 8.230 nan 0.000 0.493 42 V N 0.903 120.799 119.914 -0.031 0.000 2.343 42 V HA -0.196 3.922 4.120 -0.004 0.000 0.247 42 V C 2.510 178.588 176.094 -0.026 0.000 1.051 42 V CA 2.440 64.720 62.300 -0.032 0.000 1.036 42 V CB -0.817 30.981 31.823 -0.042 0.000 0.654 42 V HN 0.591 nan 8.190 nan 0.000 0.451 43 E N -0.448 119.737 120.200 -0.025 0.000 2.110 43 E HA -0.294 4.053 4.350 -0.004 0.000 0.193 43 E C 2.291 178.882 176.600 -0.015 0.000 0.988 43 E CA 1.404 57.792 56.400 -0.020 0.000 0.804 43 E CB -0.099 29.589 29.700 -0.019 0.000 0.745 43 E HN 0.639 nan 8.360 nan 0.000 0.458 44 Q N 0.640 120.432 119.800 -0.013 0.000 2.079 44 Q HA -0.155 4.183 4.340 -0.004 0.000 0.200 44 Q C 2.212 178.208 176.000 -0.006 0.000 0.974 44 Q CA 0.974 56.772 55.803 -0.008 0.000 0.840 44 Q CB 0.014 28.749 28.738 -0.005 0.000 0.898 44 Q HN 0.303 nan 8.270 nan 0.000 0.430 45 I N 0.521 121.087 120.570 -0.007 0.000 2.208 45 I HA -0.320 3.847 4.170 -0.004 0.000 0.245 45 I C 2.107 178.219 176.117 -0.008 0.000 1.097 45 I CA 1.164 62.462 61.300 -0.004 0.000 1.363 45 I CB -0.162 37.835 38.000 -0.005 0.000 1.051 45 I HN 0.289 nan 8.210 nan 0.000 0.413 46 I N 0.312 120.873 120.570 -0.014 0.000 2.333 46 I HA -0.173 3.994 4.170 -0.004 0.000 0.246 46 I C 2.734 178.845 176.117 -0.011 0.000 1.106 46 I CA 1.006 62.297 61.300 -0.016 0.000 1.411 46 I CB -0.391 37.596 38.000 -0.023 0.000 1.082 46 I HN 0.117 nan 8.210 nan 0.000 0.420 47 A N 0.561 123.375 122.820 -0.009 0.000 1.940 47 A HA -0.198 4.119 4.320 -0.004 0.000 0.219 47 A C 1.999 179.581 177.584 -0.004 0.000 1.176 47 A CA 1.519 53.553 52.037 -0.006 0.000 0.631 47 A CB -0.531 18.466 19.000 -0.006 0.000 0.814 47 A HN 0.483 nan 8.150 nan 0.000 0.446 48 E N -0.284 119.914 120.200 -0.003 0.000 2.494 48 E HA 0.001 4.348 4.350 -0.004 0.000 0.193 48 E C -0.536 176.064 176.600 0.000 0.000 1.074 48 E CA 0.212 56.612 56.400 -0.000 0.000 0.867 48 E CB -0.109 29.592 29.700 0.002 0.000 0.924 48 E HN 0.436 nan 8.360 nan 0.000 0.502 49 D N 1.516 121.914 120.400 -0.002 0.000 2.751 49 D HA -0.175 4.463 4.640 -0.004 0.000 0.233 49 D C -0.351 175.948 176.300 -0.001 0.000 1.149 49 D CA 0.916 54.915 54.000 -0.003 0.000 0.682 49 D CB -0.723 40.076 40.800 -0.001 0.000 1.068 49 D HN 0.354 nan 8.370 nan 0.000 0.429 50 R N -0.443 120.057 120.500 0.000 0.000 2.528 50 R HA 0.494 4.832 4.340 -0.004 0.000 0.271 50 R C 0.403 176.705 176.300 0.004 0.000 1.056 50 R CA -0.280 55.822 56.100 0.005 0.000 1.117 50 R CB 0.780 31.085 30.300 0.009 0.000 1.085 50 R HN -0.144 nan 8.270 nan 0.000 0.530 51 T N 1.000 115.560 114.554 0.011 0.000 2.767 51 T HA 0.503 4.851 4.350 -0.004 0.000 0.284 51 T C -0.754 173.964 174.700 0.031 0.000 0.973 51 T CA -0.467 61.642 62.100 0.015 0.000 0.996 51 T CB 1.361 70.240 68.868 0.018 0.000 0.927 51 T HN 0.666 nan 8.240 nan 0.000 0.456 52 A N 3.645 126.482 122.820 0.028 0.000 2.411 52 A HA 0.523 4.840 4.320 -0.004 0.000 0.285 52 A C -0.799 176.821 177.584 0.060 0.000 1.129 52 A CA -0.795 51.272 52.037 0.050 0.000 0.736 52 A CB 0.430 19.443 19.000 0.022 0.000 1.186 52 A HN 0.876 nan 8.150 nan 0.000 0.445 53 Y N 2.566 122.867 120.300 0.001 0.000 2.717 53 Y HA 0.328 4.873 4.550 -0.008 0.000 0.330 53 Y C 1.292 177.201 175.900 0.015 0.000 1.217 53 Y CA 1.643 59.749 58.100 0.009 0.000 1.506 53 Y CB 0.457 38.936 38.460 0.031 0.000 1.268 53 Y HN 1.809 nan 8.280 nan 0.000 0.561 54 G N 4.691 113.090 108.800 -0.669 0.000 2.225 54 G HA2 -0.286 3.671 3.960 -0.004 0.000 0.254 54 G HA3 -0.286 3.671 3.960 -0.004 0.000 0.254 54 G C 0.432 175.172 174.900 -0.265 0.000 0.988 54 G CA 0.429 45.180 45.100 -0.582 0.000 0.625 54 G HN 0.570 nan 8.290 nan 0.000 0.527 55 I N 0.924 121.384 120.570 -0.184 0.000 3.341 55 I HA 0.219 4.387 4.170 -0.004 0.000 0.243 55 I C 1.627 177.673 176.117 -0.119 0.000 1.094 55 I CA 1.840 63.068 61.300 -0.121 0.000 1.507 55 I CB -0.908 37.048 38.000 -0.074 0.000 1.441 55 I HN 0.429 nan 8.210 nan 0.000 0.465 56 N N 0.783 119.421 118.700 -0.103 0.000 2.240 56 N HA 0.014 4.752 4.740 -0.004 0.000 0.240 56 N C -0.137 175.303 175.510 -0.118 0.000 1.277 56 N CA -0.146 52.839 53.050 -0.108 0.000 0.873 56 N CB -0.343 38.099 38.487 -0.074 0.000 1.222 56 N HN 0.247 nan 8.380 nan 0.000 0.507 57 T N -3.019 111.460 114.554 -0.124 0.000 2.909 57 T HA 0.748 5.095 4.350 -0.004 0.000 0.286 57 T C 0.964 175.515 174.700 -0.248 0.000 1.002 57 T CA -0.355 61.683 62.100 -0.103 0.000 1.074 57 T CB 1.820 70.704 68.868 0.027 0.000 0.984 57 T HN 0.178 nan 8.240 nan 0.000 0.495 58 G N 0.699 109.363 108.800 -0.226 0.000 2.624 58 G HA2 0.548 4.505 3.960 -0.004 0.000 0.217 58 G HA3 0.548 4.505 3.960 -0.004 0.000 0.217 58 G C -0.985 173.660 174.900 -0.426 0.000 1.506 58 G CA -0.674 44.190 45.100 -0.394 0.000 1.072 58 G HN 0.577 nan 8.290 nan 0.000 0.568 59 F N -1.652 118.325 119.950 0.045 0.000 2.598 59 F HA 0.620 5.147 4.527 -0.000 0.000 0.327 59 F C 1.230 177.061 175.800 0.052 0.000 1.057 59 F CA -0.251 57.789 58.000 0.065 0.000 0.957 59 F CB 1.155 40.190 39.000 0.057 0.000 1.278 59 F HN 0.948 nan 8.300 nan 0.000 0.484 60 G N 1.366 110.335 108.800 0.282 0.000 2.704 60 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.344 60 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.344 60 G C 1.188 176.150 174.900 0.104 0.000 1.200 60 G CA 0.750 45.939 45.100 0.147 0.000 0.962 60 G HN 0.608 nan 8.290 nan 0.000 0.552 61 L N -0.253 121.019 121.223 0.081 0.000 2.191 61 L HA 0.014 4.351 4.340 -0.004 0.000 0.212 61 L C 2.779 179.678 176.870 0.048 0.000 1.103 61 L CA 1.130 56.002 54.840 0.053 0.000 0.769 61 L CB -0.583 41.501 42.059 0.040 0.000 0.908 61 L HN 0.345 nan 8.230 nan 0.000 0.438 62 L N -0.570 120.688 121.223 0.057 0.000 2.592 62 L HA 0.140 4.478 4.340 -0.004 0.000 0.227 62 L C 2.484 179.373 176.870 0.033 0.000 1.127 62 L CA 0.657 55.511 54.840 0.024 0.000 0.884 62 L CB -0.868 41.184 42.059 -0.011 0.000 1.065 62 L HN 0.039 nan 8.230 nan 0.000 0.457 63 A N -0.721 122.152 122.820 0.088 0.000 2.032 63 A HA -0.149 4.169 4.320 -0.004 0.000 0.221 63 A C 1.764 179.406 177.584 0.097 0.000 1.165 63 A CA 1.825 53.944 52.037 0.138 0.000 0.645 63 A CB -0.477 18.614 19.000 0.152 0.000 0.807 63 A HN 0.436 nan 8.150 nan 0.000 0.453 64 S N -0.494 115.237 115.700 0.051 0.000 2.484 64 S HA 0.396 4.863 4.470 -0.004 0.000 0.242 64 S C -0.213 174.398 174.600 0.019 0.000 1.158 64 S CA -0.339 57.881 58.200 0.034 0.000 1.162 64 S CB 0.229 63.441 63.200 0.020 0.000 0.850 64 S HN 0.201 nan 8.310 nan 0.000 0.477 65 T N 2.192 116.752 114.554 0.009 0.000 2.949 65 T HA 0.375 4.722 4.350 -0.004 0.000 0.300 65 T C -0.094 174.587 174.700 -0.032 0.000 0.988 65 T CA -0.611 61.483 62.100 -0.011 0.000 0.993 65 T CB 1.614 70.473 68.868 -0.015 0.000 0.984 65 T HN 0.313 nan 8.240 nan 0.000 0.442 66 R N 2.323 122.806 120.500 -0.028 0.000 2.811 66 R HA 0.302 4.639 4.340 -0.004 0.000 0.265 66 R C -0.437 175.822 176.300 -0.067 0.000 1.026 66 R CA -0.057 56.018 56.100 -0.043 0.000 1.142 66 R CB 0.296 30.580 30.300 -0.028 0.000 1.027 66 R HN 0.385 nan 8.270 nan 0.000 0.465 67 I N 1.903 122.420 120.570 -0.089 0.000 2.509 67 I HA 0.254 4.421 4.170 -0.004 0.000 0.293 67 I C 0.045 176.084 176.117 -0.130 0.000 1.020 67 I CA -1.024 60.201 61.300 -0.125 0.000 1.088 67 I CB 1.335 39.237 38.000 -0.164 0.000 1.267 67 I HN 0.707 nan 8.210 nan 0.000 0.430 68 A N 4.126 126.837 122.820 -0.182 0.000 2.524 68 A HA 0.210 4.528 4.320 -0.004 0.000 0.250 68 A C 1.387 178.825 177.584 -0.243 0.000 1.078 68 A CA 0.204 52.115 52.037 -0.209 0.000 0.761 68 A CB 0.033 18.811 19.000 -0.370 0.000 1.012 68 A HN 0.831 nan 8.150 nan 0.000 0.500 69 S N 1.379 117.046 115.700 -0.054 0.000 2.400 69 S HA -0.294 4.173 4.470 -0.004 0.000 0.234 69 S C 1.594 176.193 174.600 -0.001 0.000 1.049 69 S CA 2.466 60.658 58.200 -0.014 0.000 1.039 69 S CB -0.789 62.437 63.200 0.043 0.000 0.856 69 S HN 1.037 nan 8.310 nan 0.000 0.465 70 H N 0.861 119.916 119.070 -0.025 0.000 2.326 70 H HA 0.049 4.603 4.556 -0.004 0.000 0.301 70 H C 1.511 176.824 175.328 -0.025 0.000 1.081 70 H CA 1.245 57.280 56.048 -0.021 0.000 1.334 70 H CB -0.456 29.296 29.762 -0.016 0.000 1.385 70 H HN 0.220 nan 8.280 nan 0.000 0.504 71 D N 0.787 120.910 120.400 -0.462 0.000 2.178 71 D HA -0.099 4.539 4.640 -0.004 0.000 0.202 71 D C 2.088 178.275 176.300 -0.187 0.000 0.974 71 D CA 0.458 54.275 54.000 -0.305 0.000 0.841 71 D CB -0.204 40.358 40.800 -0.398 0.000 0.953 71 D HN 0.228 nan 8.370 nan 0.000 0.478 72 L N 1.302 122.414 121.223 -0.186 0.000 2.046 72 L HA -0.130 4.207 4.340 -0.004 0.000 0.208 72 L C 2.194 179.008 176.870 -0.093 0.000 1.077 72 L CA 1.645 56.402 54.840 -0.138 0.000 0.747 72 L CB -0.754 41.234 42.059 -0.119 0.000 0.896 72 L HN 0.038 nan 8.230 nan 0.000 0.432 73 E N -0.734 119.428 120.200 -0.063 0.000 2.077 73 E HA -0.239 4.108 4.350 -0.004 0.000 0.193 73 E C 1.791 178.374 176.600 -0.029 0.000 0.989 73 E CA 1.654 58.034 56.400 -0.033 0.000 0.800 73 E CB -0.088 29.608 29.700 -0.006 0.000 0.746 73 E HN 0.667 nan 8.360 nan 0.000 0.452 74 N N 0.398 119.081 118.700 -0.030 0.000 2.142 74 N HA -0.144 4.593 4.740 -0.004 0.000 0.186 74 N C 1.791 177.290 175.510 -0.019 0.000 1.023 74 N CA 0.862 53.902 53.050 -0.016 0.000 0.852 74 N CB -0.181 38.301 38.487 -0.009 0.000 0.998 74 N HN 0.095 nan 8.380 nan 0.000 0.424 75 L N 1.564 122.760 121.223 -0.044 0.000 2.081 75 L HA -0.217 4.120 4.340 -0.004 0.000 0.212 75 L C 1.942 178.807 176.870 -0.008 0.000 1.080 75 L CA 1.740 56.560 54.840 -0.034 0.000 0.754 75 L CB -0.741 41.245 42.059 -0.123 0.000 0.893 75 L HN 0.194 nan 8.230 nan 0.000 0.433 76 Q N -0.388 119.393 119.800 -0.032 0.000 2.020 76 Q HA -0.253 4.084 4.340 -0.004 0.000 0.202 76 Q C 2.392 178.380 176.000 -0.019 0.000 0.982 76 Q CA 2.037 57.823 55.803 -0.030 0.000 0.838 76 Q CB -0.627 28.089 28.738 -0.036 0.000 0.899 76 Q HN 0.588 nan 8.270 nan 0.000 0.423 77 R N 0.493 120.986 120.500 -0.011 0.000 2.073 77 R HA -0.091 4.246 4.340 -0.004 0.000 0.234 77 R C 2.347 178.650 176.300 0.005 0.000 1.134 77 R CA 1.662 57.759 56.100 -0.005 0.000 0.952 77 R CB -0.052 30.247 30.300 -0.001 0.000 0.850 77 R HN 0.128 nan 8.270 nan 0.000 0.433 78 S N 0.910 116.622 115.700 0.020 0.000 2.383 78 S HA -0.135 4.332 4.470 -0.004 0.000 0.229 78 S C 1.854 176.487 174.600 0.056 0.000 1.030 78 S CA 1.205 59.432 58.200 0.044 0.000 1.002 78 S CB -0.192 63.047 63.200 0.065 0.000 0.829 78 S HN 0.254 nan 8.310 nan 0.000 0.467 79 L N 0.853 122.092 121.223 0.027 0.000 2.027 79 L HA -0.088 4.249 4.340 -0.004 0.000 0.206 79 L C 2.354 179.156 176.870 -0.113 0.000 1.074 79 L CA 0.982 55.775 54.840 -0.079 0.000 0.745 79 L CB -0.543 41.413 42.059 -0.172 0.000 0.898 79 L HN 0.171 nan 8.230 nan 0.000 0.433 80 V N -0.215 119.656 119.914 -0.071 0.000 2.343 80 V HA -0.302 3.816 4.120 -0.004 0.000 0.247 80 V C 2.330 178.422 176.094 -0.003 0.000 1.051 80 V CA 1.716 63.993 62.300 -0.038 0.000 1.036 80 V CB -0.435 31.369 31.823 -0.032 0.000 0.654 80 V HN 0.331 nan 8.190 nan 0.000 0.451 81 L N 0.769 121.994 121.223 0.003 0.000 1.994 81 L HA -0.167 4.171 4.340 -0.004 0.000 0.208 81 L C 2.768 179.645 176.870 0.012 0.000 1.071 81 L CA 2.027 56.863 54.840 -0.007 0.000 0.745 81 L CB -0.794 41.265 42.059 0.001 0.000 0.892 81 L HN 0.558 nan 8.230 nan 0.000 0.431 82 S N -1.584 114.161 115.700 0.074 0.000 2.402 82 S HA -0.203 4.265 4.470 -0.004 0.000 0.229 82 S C 1.795 176.444 174.600 0.082 0.000 1.021 82 S CA 0.987 59.237 58.200 0.084 0.000 0.974 82 S CB -0.561 62.710 63.200 0.119 0.000 0.800 82 S HN 0.441 nan 8.310 nan 0.000 0.484 83 H N 1.992 121.033 119.070 -0.048 0.000 2.502 83 H HA 0.471 5.025 4.556 -0.003 0.000 0.283 83 H C 1.334 176.633 175.328 -0.047 0.000 1.015 83 H CA 0.364 56.388 56.048 -0.039 0.000 1.298 83 H CB -0.426 29.317 29.762 -0.030 0.000 1.411 83 H HN 0.570 nan 8.280 nan 0.000 0.556 84 A N 0.822 123.619 122.820 -0.039 0.000 3.026 84 A HA 0.474 4.792 4.320 -0.004 0.000 0.272 84 A C 0.890 178.379 177.584 -0.158 0.000 1.782 84 A CA 0.523 52.344 52.037 -0.360 0.000 1.451 84 A CB -0.994 17.638 19.000 -0.614 0.000 1.081 84 A HN 0.398 nan 8.150 nan 0.000 0.611 85 A N 1.235 124.121 122.820 0.111 0.000 2.676 85 A HA 0.582 4.899 4.320 -0.004 0.000 0.297 85 A C 0.897 178.607 177.584 0.210 0.000 1.132 85 A CA 0.296 52.414 52.037 0.135 0.000 0.972 85 A CB -0.274 18.738 19.000 0.019 0.000 1.197 85 A HN 0.923 nan 8.150 nan 0.000 0.524 86 G N -0.358 108.710 108.800 0.446 0.000 2.528 86 G HA2 0.584 4.541 3.960 -0.004 0.000 0.289 86 G HA3 0.584 4.541 3.960 -0.004 0.000 0.289 86 G C -0.404 174.522 174.900 0.044 0.000 1.192 86 G CA -0.391 44.785 45.100 0.128 0.000 0.921 86 G HN 0.393 nan 8.290 nan 0.000 0.512 87 I N -1.109 119.460 120.570 -0.002 0.000 3.093 87 I HA 0.636 4.803 4.170 -0.004 0.000 0.308 87 I C 0.334 176.457 176.117 0.010 0.000 1.303 87 I CA 0.438 61.746 61.300 0.014 0.000 0.975 87 I CB 1.983 40.000 38.000 0.028 0.000 1.286 87 I HN 1.315 nan 8.210 nan 0.000 0.459 88 G N 2.740 111.556 108.800 0.027 0.000 2.566 88 G HA2 0.209 4.167 3.960 -0.004 0.000 0.599 88 G HA3 0.209 4.167 3.960 -0.004 0.000 0.599 88 G C -0.440 174.493 174.900 0.054 0.000 1.292 88 G CA -0.271 44.849 45.100 0.034 0.000 0.922 88 G HN 1.384 nan 8.290 nan 0.000 0.514 89 A N 1.051 123.909 122.820 0.063 0.000 2.561 89 A HA 0.550 4.868 4.320 -0.004 0.000 0.234 89 A C -1.408 176.226 177.584 0.083 0.000 1.055 89 A CA 0.607 52.697 52.037 0.088 0.000 0.756 89 A CB -0.467 18.586 19.000 0.088 0.000 0.986 89 A HN 0.740 nan 8.150 nan 0.000 0.505 90 P HA 0.210 nan 4.420 nan 0.000 0.268 90 P C -0.351 176.993 177.300 0.073 0.000 1.205 90 P CA 0.061 63.218 63.100 0.094 0.000 0.771 90 P CB 0.326 32.253 31.700 0.378 0.000 0.858 91 L N 2.273 123.506 121.223 0.017 0.000 2.452 91 L HA 0.143 4.480 4.340 -0.004 0.000 0.267 91 L C 1.136 178.014 176.870 0.014 0.000 1.188 91 L CA -0.324 54.531 54.840 0.024 0.000 0.821 91 L CB -0.044 42.045 42.059 0.049 0.000 1.102 91 L HN 0.468 nan 8.230 nan 0.000 0.470 92 D N -0.734 119.627 120.400 -0.065 0.000 2.358 92 D HA 0.017 4.654 4.640 -0.004 0.000 0.244 92 D C 0.292 176.492 176.300 -0.166 0.000 1.163 92 D CA -0.518 53.420 54.000 -0.103 0.000 0.945 92 D CB 0.726 41.440 40.800 -0.144 0.000 1.152 92 D HN 0.372 nan 8.370 nan 0.000 0.451 93 D N -0.077 120.169 120.400 -0.256 0.000 2.144 93 D HA -0.142 4.495 4.640 -0.004 0.000 0.199 93 D C 1.196 177.120 176.300 -0.627 0.000 0.984 93 D CA 0.962 54.644 54.000 -0.529 0.000 0.834 93 D CB -0.220 40.170 40.800 -0.684 0.000 0.955 93 D HN 0.440 nan 8.370 nan 0.000 0.465 94 D N 0.121 120.260 120.400 -0.436 0.000 2.149 94 D HA -0.123 4.515 4.640 -0.004 0.000 0.198 94 D C 2.112 178.278 176.300 -0.223 0.000 0.990 94 D CA 0.360 54.139 54.000 -0.368 0.000 0.839 94 D CB -0.164 40.393 40.800 -0.404 0.000 0.948 94 D HN 0.147 nan 8.370 nan 0.000 0.460 95 L N 0.459 121.577 121.223 -0.175 0.000 2.109 95 L HA -0.072 4.265 4.340 -0.004 0.000 0.207 95 L C 2.233 179.113 176.870 0.016 0.000 1.086 95 L CA 1.018 55.837 54.840 -0.034 0.000 0.760 95 L CB -0.325 41.681 42.059 -0.087 0.000 0.910 95 L HN -0.150 nan 8.230 nan 0.000 0.437 96 V N -0.230 119.665 119.914 -0.033 0.000 2.343 96 V HA -0.285 3.833 4.120 -0.004 0.000 0.247 96 V C 2.725 178.870 176.094 0.085 0.000 1.051 96 V CA 1.952 64.284 62.300 0.053 0.000 1.036 96 V CB -0.756 31.124 31.823 0.094 0.000 0.654 96 V HN 0.485 nan 8.190 nan 0.000 0.451 97 R N -0.278 120.215 120.500 -0.011 0.000 2.096 97 R HA -0.223 4.114 4.340 -0.004 0.000 0.240 97 R C 2.285 178.646 176.300 0.101 0.000 1.139 97 R CA 2.043 58.203 56.100 0.101 0.000 0.952 97 R CB -0.435 29.862 30.300 -0.005 0.000 0.854 97 R HN 0.427 nan 8.270 nan 0.000 0.436 98 L N 1.057 122.328 121.223 0.080 0.000 2.017 98 L HA -0.139 4.198 4.340 -0.004 0.000 0.208 98 L C 2.071 179.000 176.870 0.099 0.000 1.073 98 L CA 1.703 56.609 54.840 0.111 0.000 0.745 98 L CB -0.469 41.685 42.059 0.158 0.000 0.894 98 L HN 0.285 nan 8.230 nan 0.000 0.432 99 I N -1.085 119.544 120.570 0.099 0.000 2.151 99 I HA -0.406 3.761 4.170 -0.004 0.000 0.243 99 I C 2.504 178.669 176.117 0.081 0.000 1.080 99 I CA 2.017 63.367 61.300 0.083 0.000 1.339 99 I CB -0.295 37.759 38.000 0.090 0.000 1.039 99 I HN 0.334 nan 8.210 nan 0.000 0.409 100 M N -0.330 119.331 119.600 0.101 0.000 2.117 100 M HA -0.177 4.300 4.480 -0.004 0.000 0.262 100 M C 2.312 178.660 176.300 0.080 0.000 1.065 100 M CA 1.482 56.840 55.300 0.097 0.000 1.114 100 M CB -0.368 32.308 32.600 0.126 0.000 1.361 100 M HN 0.098 nan 8.290 nan 0.000 0.408 101 V N 0.568 120.534 119.914 0.086 0.000 2.427 101 V HA -0.221 3.896 4.120 -0.004 0.000 0.248 101 V C 2.227 178.358 176.094 0.062 0.000 1.051 101 V CA 1.421 63.765 62.300 0.073 0.000 1.048 101 V CB -0.638 31.232 31.823 0.078 0.000 0.666 101 V HN 0.466 nan 8.190 nan 0.000 0.456 102 L N -0.004 121.256 121.223 0.062 0.000 2.093 102 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 102 L C 2.563 179.458 176.870 0.042 0.000 1.085 102 L CA 1.732 56.602 54.840 0.049 0.000 0.755 102 L CB -0.532 41.551 42.059 0.041 0.000 0.904 102 L HN 0.317 nan 8.230 nan 0.000 0.435 103 K N 1.131 121.557 120.400 0.044 0.000 2.057 103 K HA -0.144 4.173 4.320 -0.004 0.000 0.206 103 K C 1.892 178.516 176.600 0.039 0.000 1.050 103 K CA 1.455 57.765 56.287 0.038 0.000 0.935 103 K CB -0.237 32.287 32.500 0.039 0.000 0.715 103 K HN 0.141 nan 8.250 nan 0.000 0.439 104 I N 1.181 121.777 120.570 0.043 0.000 2.163 104 I HA -0.316 3.851 4.170 -0.004 0.000 0.243 104 I C 2.244 178.386 176.117 0.041 0.000 1.085 104 I CA 1.501 62.825 61.300 0.040 0.000 1.347 104 I CB -0.560 37.465 38.000 0.042 0.000 1.044 104 I HN 0.355 nan 8.210 nan 0.000 0.408 105 N N 0.364 119.091 118.700 0.045 0.000 2.036 105 N HA -0.241 4.496 4.740 -0.004 0.000 0.195 105 N C 1.982 177.524 175.510 0.053 0.000 1.037 105 N CA 2.132 55.211 53.050 0.047 0.000 0.855 105 N CB -0.230 38.285 38.487 0.047 0.000 1.033 105 N HN 0.195 nan 8.380 nan 0.000 0.423 106 S N -0.658 115.072 115.700 0.050 0.000 2.355 106 S HA 0.068 4.535 4.470 -0.004 0.000 0.222 106 S C 1.953 176.594 174.600 0.068 0.000 1.031 106 S CA 0.750 58.983 58.200 0.056 0.000 0.993 106 S CB -0.371 62.853 63.200 0.040 0.000 0.859 106 S HN 0.369 nan 8.310 nan 0.000 0.453 107 L N 0.999 122.253 121.223 0.050 0.000 2.131 107 L HA -0.026 4.311 4.340 -0.004 0.000 0.210 107 L C 2.145 179.041 176.870 0.044 0.000 1.092 107 L CA 0.984 55.850 54.840 0.043 0.000 0.759 107 L CB -0.370 41.705 42.059 0.026 0.000 0.903 107 L HN 0.268 nan 8.230 nan 0.000 0.435 108 S N -0.896 114.832 115.700 0.046 0.000 2.603 108 S HA 0.060 4.528 4.470 -0.004 0.000 0.220 108 S C 1.688 176.317 174.600 0.048 0.000 0.967 108 S CA 0.161 58.382 58.200 0.036 0.000 0.920 108 S CB -0.068 63.151 63.200 0.033 0.000 0.773 108 S HN 0.336 nan 8.310 nan 0.000 0.529 109 R N 0.569 121.126 120.500 0.095 0.000 2.297 109 R HA 0.127 4.464 4.340 -0.004 0.000 0.197 109 R C 1.298 177.642 176.300 0.074 0.000 0.943 109 R CA 0.507 56.702 56.100 0.158 0.000 1.038 109 R CB 0.038 30.502 30.300 0.274 0.000 0.957 109 R HN 0.406 nan 8.270 nan 0.000 0.484 110 G N 0.519 109.310 108.800 -0.015 0.000 2.171 110 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.238 110 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.238 110 G C 0.172 174.826 174.900 -0.409 0.000 1.039 110 G CA -0.247 44.728 45.100 -0.208 0.000 0.759 110 G HN 0.357 nan 8.290 nan 0.000 0.501 111 F N 0.172 120.088 119.950 -0.057 0.000 2.688 111 F HA 0.348 4.872 4.527 -0.005 0.000 0.310 111 F C 1.773 177.466 175.800 -0.179 0.000 1.098 111 F CA 0.614 58.528 58.000 -0.143 0.000 1.228 111 F CB 1.146 40.061 39.000 -0.142 0.000 1.042 111 F HN 0.166 nan 8.300 nan 0.000 0.557 112 S N -0.697 115.011 115.700 0.013 0.000 2.540 112 S HA 0.272 4.739 4.470 -0.004 0.000 0.222 112 S C 1.686 176.257 174.600 -0.048 0.000 1.008 112 S CA 0.450 58.639 58.200 -0.018 0.000 0.939 112 S CB 0.522 63.725 63.200 0.006 0.000 0.865 112 S HN 0.460 nan 8.310 nan 0.000 0.499 113 G N 2.147 110.910 108.800 -0.061 0.000 2.225 113 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.267 113 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.267 113 G C 0.038 174.909 174.900 -0.048 0.000 1.024 113 G CA 0.471 45.534 45.100 -0.062 0.000 0.784 113 G HN 0.564 nan 8.290 nan 0.000 0.507 114 I N -0.337 120.211 120.570 -0.038 0.000 2.488 114 I HA 0.558 4.726 4.170 -0.004 0.000 0.299 114 I C 0.989 177.090 176.117 -0.027 0.000 0.984 114 I CA -1.409 59.873 61.300 -0.030 0.000 1.250 114 I CB 0.602 38.590 38.000 -0.021 0.000 1.389 114 I HN 0.148 nan 8.210 nan 0.000 0.488 115 R N 4.363 124.848 120.500 -0.024 0.000 2.570 115 R HA 0.029 4.367 4.340 -0.004 0.000 0.277 115 R C 1.070 177.361 176.300 -0.017 0.000 1.039 115 R CA 0.046 56.133 56.100 -0.021 0.000 1.065 115 R CB 0.430 30.719 30.300 -0.019 0.000 0.964 115 R HN 0.563 nan 8.270 nan 0.000 0.428 116 R N 2.445 122.935 120.500 -0.017 0.000 2.117 116 R HA -0.220 4.117 4.340 -0.004 0.000 0.243 116 R C 1.811 178.106 176.300 -0.008 0.000 1.143 116 R CA 1.785 57.878 56.100 -0.012 0.000 0.968 116 R CB -0.035 30.257 30.300 -0.013 0.000 0.863 116 R HN 0.460 nan 8.270 nan 0.000 0.444 117 K N -0.054 120.340 120.400 -0.010 0.000 2.147 117 K HA -0.098 4.220 4.320 -0.004 0.000 0.205 117 K C 1.568 178.164 176.600 -0.006 0.000 1.049 117 K CA 1.517 57.798 56.287 -0.008 0.000 0.936 117 K CB 0.161 32.655 32.500 -0.010 0.000 0.722 117 K HN 0.155 nan 8.250 nan 0.000 0.446 118 V N 1.333 121.243 119.914 -0.007 0.000 2.488 118 V HA -0.189 3.928 4.120 -0.004 0.000 0.246 118 V C 2.258 178.353 176.094 0.002 0.000 1.046 118 V CA 1.214 63.512 62.300 -0.003 0.000 1.053 118 V CB -0.293 31.527 31.823 -0.005 0.000 0.679 118 V HN 0.248 nan 8.190 nan 0.000 0.458 119 I N 0.397 120.968 120.570 0.002 0.000 2.226 119 I HA -0.221 3.946 4.170 -0.004 0.000 0.245 119 I C 2.268 178.390 176.117 0.008 0.000 1.100 119 I CA 1.541 62.846 61.300 0.008 0.000 1.374 119 I CB -0.485 37.520 38.000 0.007 0.000 1.057 119 I HN 0.288 nan 8.210 nan 0.000 0.413 120 D N 1.105 121.507 120.400 0.003 0.000 2.178 120 D HA -0.155 4.482 4.640 -0.004 0.000 0.201 120 D C 2.246 178.546 176.300 -0.001 0.000 0.980 120 D CA 1.499 55.499 54.000 0.001 0.000 0.842 120 D CB -0.148 40.650 40.800 -0.003 0.000 0.948 120 D HN 0.373 nan 8.370 nan 0.000 0.472 121 A N 0.669 123.488 122.820 -0.001 0.000 1.877 121 A HA -0.119 4.198 4.320 -0.004 0.000 0.216 121 A C 2.396 179.981 177.584 0.002 0.000 1.186 121 A CA 0.854 52.889 52.037 -0.003 0.000 0.620 121 A CB -0.810 18.189 19.000 -0.002 0.000 0.822 121 A HN 0.196 nan 8.150 nan 0.000 0.443 122 L N -0.523 120.707 121.223 0.012 0.000 2.042 122 L HA -0.201 4.136 4.340 -0.004 0.000 0.210 122 L C 2.495 179.377 176.870 0.021 0.000 1.076 122 L CA 1.359 56.213 54.840 0.022 0.000 0.749 122 L CB -0.463 41.615 42.059 0.032 0.000 0.893 122 L HN 0.395 nan 8.230 nan 0.000 0.432 123 I N -0.393 120.187 120.570 0.017 0.000 2.264 123 I HA -0.313 3.854 4.170 -0.004 0.000 0.248 123 I C 2.722 178.842 176.117 0.004 0.000 1.111 123 I CA 1.180 62.490 61.300 0.016 0.000 1.382 123 I CB -0.416 37.592 38.000 0.014 0.000 1.060 123 I HN 0.233 nan 8.210 nan 0.000 0.418 124 A N 0.784 123.599 122.820 -0.007 0.000 1.930 124 A HA -0.128 4.189 4.320 -0.004 0.000 0.217 124 A C 2.284 179.842 177.584 -0.043 0.000 1.175 124 A CA 1.196 53.219 52.037 -0.023 0.000 0.627 124 A CB -0.704 18.280 19.000 -0.027 0.000 0.815 124 A HN 0.365 nan 8.150 nan 0.000 0.443 125 L N -0.603 120.596 121.223 -0.040 0.000 2.046 125 L HA -0.176 4.161 4.340 -0.004 0.000 0.208 125 L C 2.552 179.359 176.870 -0.106 0.000 1.077 125 L CA 1.173 55.968 54.840 -0.075 0.000 0.747 125 L CB -0.654 41.383 42.059 -0.038 0.000 0.896 125 L HN 0.246 nan 8.230 nan 0.000 0.432 126 V N 0.159 120.055 119.914 -0.031 0.000 2.255 126 V HA -0.288 3.829 4.120 -0.004 0.000 0.247 126 V C 2.207 178.297 176.094 -0.007 0.000 1.051 126 V CA 1.981 64.289 62.300 0.013 0.000 1.018 126 V CB -0.680 31.187 31.823 0.073 0.000 0.641 126 V HN 0.496 nan 8.190 nan 0.000 0.445 127 N N 0.503 119.198 118.700 -0.007 0.000 2.223 127 N HA -0.090 4.648 4.740 -0.004 0.000 0.185 127 N C 1.630 177.129 175.510 -0.018 0.000 1.016 127 N CA 1.522 54.572 53.050 -0.001 0.000 0.863 127 N CB -0.388 38.098 38.487 -0.002 0.000 0.983 127 N HN 0.522 nan 8.380 nan 0.000 0.429 128 A N 0.500 123.283 122.820 -0.061 0.000 2.208 128 A HA 0.024 4.342 4.320 -0.004 0.000 0.209 128 A C 0.315 177.861 177.584 -0.063 0.000 1.161 128 A CA 0.118 52.110 52.037 -0.074 0.000 0.782 128 A CB -0.231 18.686 19.000 -0.139 0.000 0.816 128 A HN 0.335 nan 8.150 nan 0.000 0.477 129 E N -1.122 118.977 120.200 -0.167 0.000 2.389 129 E HA -0.137 4.210 4.350 -0.004 0.000 0.243 129 E C -0.877 175.378 176.600 -0.573 0.000 1.154 129 E CA 0.479 56.666 56.400 -0.355 0.000 0.723 129 E CB -2.076 27.642 29.700 0.030 0.000 1.261 129 E HN 0.302 nan 8.360 nan 0.000 0.390 130 V N 1.586 121.117 119.914 -0.638 0.000 2.357 130 V HA 0.321 4.438 4.120 -0.004 0.000 0.284 130 V C -0.456 175.339 176.094 -0.499 0.000 1.018 130 V CA -0.445 61.607 62.300 -0.414 0.000 0.841 130 V CB 0.442 32.135 31.823 -0.216 0.000 0.991 130 V HN 0.148 nan 8.190 nan 0.000 0.437 131 Y N 5.711 126.077 120.300 0.111 0.000 2.388 131 Y HA 0.471 5.018 4.550 -0.006 0.000 0.328 131 Y C -2.314 173.703 175.900 0.195 0.000 0.963 131 Y CA -3.412 54.755 58.100 0.112 0.000 1.240 131 Y CB 1.241 39.739 38.460 0.063 0.000 1.118 131 Y HN 0.477 nan 8.280 nan 0.000 0.484 132 P HA -0.100 nan 4.420 nan 0.000 0.265 132 P C 0.000 177.553 177.300 0.421 0.000 1.187 132 P CA 0.285 63.581 63.100 0.327 0.000 0.766 132 P CB 0.393 32.231 31.700 0.230 0.000 0.820 133 H N 4.430 123.737 119.070 0.394 0.000 3.004 133 H HA 0.128 4.680 4.556 -0.007 0.000 0.316 133 H C -0.680 174.764 175.328 0.193 0.000 1.014 133 H CA 0.700 56.924 56.048 0.293 0.000 1.454 133 H CB -0.008 29.676 29.762 -0.130 0.000 1.472 133 H HN 0.286 nan 8.280 nan 0.000 0.571 134 I N 8.825 129.109 120.570 -0.475 0.000 2.500 134 I HA 0.211 4.379 4.170 -0.004 0.000 0.286 134 I C -2.459 173.311 176.117 -0.578 0.000 1.063 134 I CA -2.079 58.985 61.300 -0.392 0.000 1.062 134 I CB 2.539 40.511 38.000 -0.046 0.000 1.223 134 I HN 0.463 nan 8.210 nan 0.000 0.435 135 P HA 0.084 nan 4.420 nan 0.000 0.277 135 P C 0.496 177.739 177.300 -0.095 0.000 1.240 135 P CA -0.482 62.440 63.100 -0.296 0.000 0.798 135 P CB 1.798 33.351 31.700 -0.245 0.000 0.979 136 L N 2.017 123.243 121.223 0.005 0.000 2.093 136 L HA -0.020 4.318 4.340 -0.004 0.000 0.208 136 L C 0.781 177.724 176.870 0.122 0.000 1.085 136 L CA 1.955 56.854 54.840 0.098 0.000 0.755 136 L CB -0.556 41.545 42.059 0.070 0.000 0.904 136 L HN 0.322 nan 8.230 nan 0.000 0.435 137 K N -2.041 118.389 120.400 0.050 0.000 2.221 137 K HA 0.615 4.932 4.320 -0.004 0.000 0.243 137 K C 0.260 176.875 176.600 0.025 0.000 0.968 137 K CA -0.072 56.241 56.287 0.043 0.000 0.846 137 K CB 1.631 34.141 32.500 0.017 0.000 1.141 137 K HN 0.046 nan 8.250 nan 0.000 0.434 138 G N 0.150 108.961 108.800 0.018 0.000 3.134 138 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.195 138 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.195 138 G C 0.046 174.942 174.900 -0.007 0.000 1.054 138 G CA -0.149 44.957 45.100 0.009 0.000 0.828 138 G HN 0.536 nan 8.290 nan 0.000 0.462 139 S N 0.644 116.335 115.700 -0.014 0.000 2.564 139 S HA 0.444 4.911 4.470 -0.004 0.000 0.278 139 S C 1.532 176.095 174.600 -0.061 0.000 1.333 139 S CA 0.496 58.670 58.200 -0.044 0.000 1.048 139 S CB 1.518 64.675 63.200 -0.073 0.000 0.900 139 S HN 1.539 nan 8.310 nan 0.000 0.505 140 V N 1.808 121.676 119.914 -0.078 0.000 3.483 140 V HA 0.513 4.630 4.120 -0.004 0.000 0.301 140 V C 1.081 177.095 176.094 -0.133 0.000 1.389 140 V CA 0.211 62.453 62.300 -0.096 0.000 1.101 140 V CB -0.725 31.038 31.823 -0.100 0.000 0.971 140 V HN 1.420 nan 8.190 nan 0.000 0.434 141 G N 0.373 109.096 108.800 -0.129 0.000 2.350 141 G HA2 0.212 4.170 3.960 -0.004 0.000 0.298 141 G HA3 0.212 4.170 3.960 -0.004 0.000 0.298 141 G C 0.089 174.860 174.900 -0.214 0.000 1.037 141 G CA 0.496 45.510 45.100 -0.143 0.000 1.074 141 G HN 2.128 nan 8.290 nan 0.000 0.511 142 A N -0.668 122.034 122.820 -0.196 0.000 2.500 142 A HA 0.968 5.286 4.320 -0.004 0.000 0.291 142 A C 0.756 178.282 177.584 -0.095 0.000 1.048 142 A CA 1.155 53.044 52.037 -0.246 0.000 0.791 142 A CB 0.603 19.364 19.000 -0.399 0.000 1.309 142 A HN 2.151 nan 8.150 nan 0.000 0.397 143 S N 1.078 116.761 115.700 -0.029 0.000 1.718 143 S HA -0.006 4.462 4.470 -0.004 0.000 0.238 143 S C 1.516 176.124 174.600 0.013 0.000 0.893 143 S CA 2.696 60.907 58.200 0.018 0.000 1.410 143 S CB -1.597 61.617 63.200 0.024 0.000 1.761 143 S HN 3.195 nan 8.310 nan 0.000 0.531 144 G N 0.251 109.043 108.800 -0.012 0.000 2.351 144 G HA2 0.340 4.298 3.960 -0.004 0.000 0.279 144 G HA3 0.340 4.298 3.960 -0.004 0.000 0.279 144 G C -2.112 172.766 174.900 -0.035 0.000 1.297 144 G CA 0.106 45.195 45.100 -0.020 0.000 0.886 144 G HN 0.263 nan 8.290 nan 0.000 0.493 145 D N 1.806 122.184 120.400 -0.037 0.000 2.896 145 D HA 0.256 4.894 4.640 -0.004 0.000 0.240 145 D C 2.044 178.348 176.300 0.007 0.000 1.193 145 D CA -0.200 53.772 54.000 -0.046 0.000 0.983 145 D CB 0.507 41.249 40.800 -0.096 0.000 1.074 145 D HN 0.331 nan 8.370 nan 0.000 0.496 146 L N 0.617 121.860 121.223 0.033 0.000 1.990 146 L HA -0.248 4.089 4.340 -0.004 0.000 0.213 146 L C 2.538 179.481 176.870 0.121 0.000 1.072 146 L CA 1.594 56.493 54.840 0.099 0.000 0.755 146 L CB -0.464 41.684 42.059 0.149 0.000 0.889 146 L HN 0.195 nan 8.230 nan 0.000 0.432 147 A N 0.308 123.189 122.820 0.101 0.000 1.855 147 A HA -0.077 4.240 4.320 -0.004 0.000 0.215 147 A C 0.064 177.807 177.584 0.266 0.000 1.191 147 A CA 1.625 53.770 52.037 0.179 0.000 0.613 147 A CB -1.840 17.248 19.000 0.147 0.000 0.829 147 A HN 0.308 nan 8.150 nan 0.000 0.442 148 P HA -0.118 nan 4.420 nan 0.000 0.216 148 P C 1.521 178.905 177.300 0.141 0.000 1.153 148 P CA 0.951 64.125 63.100 0.123 0.000 0.848 148 P CB -0.233 31.488 31.700 0.035 0.000 0.787 149 L N -0.884 120.396 121.223 0.095 0.000 2.141 149 L HA -0.101 4.236 4.340 -0.004 0.000 0.209 149 L C 2.684 179.611 176.870 0.096 0.000 1.094 149 L CA 1.379 56.267 54.840 0.081 0.000 0.763 149 L CB -1.082 41.005 42.059 0.047 0.000 0.908 149 L HN -0.047 nan 8.230 nan 0.000 0.437 150 A N -0.967 121.921 122.820 0.114 0.000 1.897 150 A HA -0.191 4.126 4.320 -0.004 0.000 0.215 150 A C 2.132 179.747 177.584 0.053 0.000 1.181 150 A CA 1.062 53.140 52.037 0.069 0.000 0.620 150 A CB -0.712 18.333 19.000 0.074 0.000 0.821 150 A HN 0.386 nan 8.150 nan 0.000 0.443 151 H N -1.075 118.043 119.070 0.081 0.000 2.352 151 H HA -0.163 4.391 4.556 -0.003 0.000 0.299 151 H C 2.158 177.548 175.328 0.103 0.000 1.097 151 H CA 1.960 58.070 56.048 0.102 0.000 1.311 151 H CB -0.287 29.544 29.762 0.114 0.000 1.377 151 H HN 0.561 nan 8.280 nan 0.000 0.504 152 M N 0.443 120.170 119.600 0.212 0.000 2.080 152 M HA -0.169 4.308 4.480 -0.004 0.000 0.260 152 M C 2.144 178.512 176.300 0.113 0.000 1.068 152 M CA 1.719 57.112 55.300 0.156 0.000 1.109 152 M CB 0.070 32.746 32.600 0.126 0.000 1.342 152 M HN 0.019 nan 8.290 nan 0.000 0.405 153 S N 1.006 116.755 115.700 0.082 0.000 2.453 153 S HA -0.025 4.442 4.470 -0.004 0.000 0.231 153 S C 1.704 176.327 174.600 0.038 0.000 1.005 153 S CA 0.707 58.936 58.200 0.049 0.000 0.949 153 S CB -0.403 62.813 63.200 0.028 0.000 0.774 153 S HN 0.477 nan 8.310 nan 0.000 0.510 154 L N 0.957 122.205 121.223 0.041 0.000 2.013 154 L HA -0.148 4.190 4.340 -0.004 0.000 0.212 154 L C 2.306 179.199 176.870 0.038 0.000 1.073 154 L CA 1.054 55.909 54.840 0.025 0.000 0.753 154 L CB -0.782 41.287 42.059 0.017 0.000 0.890 154 L HN 0.210 nan 8.230 nan 0.000 0.432 155 V N 0.039 119.992 119.914 0.064 0.000 2.392 155 V HA -0.314 3.804 4.120 -0.004 0.000 0.249 155 V C 2.425 178.541 176.094 0.037 0.000 1.059 155 V CA 1.671 64.008 62.300 0.062 0.000 1.051 155 V CB -0.454 31.422 31.823 0.089 0.000 0.658 155 V HN 0.368 nan 8.190 nan 0.000 0.455 156 L N -0.693 120.550 121.223 0.033 0.000 2.043 156 L HA -0.223 4.114 4.340 -0.004 0.000 0.212 156 L C 2.202 179.079 176.870 0.010 0.000 1.075 156 L CA 1.606 56.456 54.840 0.018 0.000 0.752 156 L CB -0.474 41.595 42.059 0.017 0.000 0.891 156 L HN 0.336 nan 8.230 nan 0.000 0.432 157 L N -0.716 120.514 121.223 0.011 0.000 2.599 157 L HA 0.110 4.447 4.340 -0.004 0.000 0.230 157 L C 1.400 178.273 176.870 0.006 0.000 1.141 157 L CA 0.592 55.435 54.840 0.005 0.000 0.877 157 L CB -0.407 41.653 42.059 0.002 0.000 1.009 157 L HN 0.538 nan 8.230 nan 0.000 0.447 158 G N 0.009 108.816 108.800 0.011 0.000 2.132 158 G HA2 -0.185 3.772 3.960 -0.004 0.000 0.234 158 G HA3 -0.185 3.772 3.960 -0.004 0.000 0.234 158 G C 0.076 174.983 174.900 0.013 0.000 0.989 158 G CA -0.131 44.976 45.100 0.011 0.000 0.676 158 G HN 0.315 nan 8.290 nan 0.000 0.522 159 E N -0.439 119.770 120.200 0.014 0.000 2.303 159 E HA 0.707 5.054 4.350 -0.004 0.000 0.254 159 E C 1.059 177.672 176.600 0.022 0.000 0.979 159 E CA 0.262 56.668 56.400 0.010 0.000 0.843 159 E CB 1.022 30.721 29.700 -0.002 0.000 1.245 159 E HN 1.448 nan 8.360 nan 0.000 0.413 160 G N 0.944 109.749 108.800 0.010 0.000 2.562 160 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.250 160 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.250 160 G C -0.517 174.400 174.900 0.028 0.000 1.269 160 G CA 0.614 45.727 45.100 0.022 0.000 0.919 160 G HN 0.721 nan 8.290 nan 0.000 0.574 161 K N -1.448 118.993 120.400 0.069 0.000 2.548 161 K HA 0.859 5.176 4.320 -0.004 0.000 0.282 161 K C -0.641 176.137 176.600 0.297 0.000 1.006 161 K CA -0.417 55.946 56.287 0.127 0.000 0.892 161 K CB 1.656 34.170 32.500 0.024 0.000 1.499 161 K HN 2.246 nan 8.250 nan 0.000 0.433 162 A N 0.960 124.031 122.820 0.418 0.000 2.539 162 A HA 0.667 4.985 4.320 -0.004 0.000 0.296 162 A C -1.524 176.363 177.584 0.505 0.000 1.073 162 A CA -0.892 51.434 52.037 0.483 0.000 0.700 162 A CB 1.919 21.069 19.000 0.249 0.000 1.296 162 A HN 0.725 nan 8.150 nan 0.000 0.405 163 R N 0.314 120.983 120.500 0.282 0.000 2.368 163 R HA 0.562 4.900 4.340 -0.004 0.000 0.302 163 R C -1.828 174.526 176.300 0.089 0.000 1.002 163 R CA -0.228 55.806 56.100 -0.109 0.000 0.929 163 R CB 0.828 30.780 30.300 -0.579 0.000 1.073 163 R HN 0.736 nan 8.270 nan 0.000 0.464 164 Y N 3.848 124.093 120.300 -0.093 0.000 2.354 164 Y HA 0.218 4.765 4.550 -0.005 0.000 0.330 164 Y C -0.835 175.024 175.900 -0.067 0.000 1.011 164 Y CA -1.162 56.896 58.100 -0.071 0.000 1.099 164 Y CB 1.227 39.655 38.460 -0.054 0.000 1.179 164 Y HN 0.737 nan 8.280 nan 0.000 0.442 165 K N 4.453 124.523 120.400 -0.549 0.000 3.071 165 K HA -0.226 4.091 4.320 -0.004 0.000 0.265 165 K C 0.848 177.292 176.600 -0.259 0.000 1.060 165 K CA 1.045 57.050 56.287 -0.470 0.000 0.767 165 K CB -1.847 30.267 32.500 -0.644 0.000 1.241 165 K HN 1.541 nan 8.250 nan 0.000 0.486 166 G N -0.364 108.307 108.800 -0.214 0.000 2.162 166 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.260 166 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.260 166 G C -0.121 174.608 174.900 -0.286 0.000 0.976 166 G CA 0.727 45.688 45.100 -0.231 0.000 0.655 166 G HN 0.343 nan 8.290 nan 0.000 0.533 167 Q N -1.093 118.560 119.800 -0.245 0.000 2.342 167 Q HA 0.509 4.846 4.340 -0.004 0.000 0.267 167 Q C -0.453 175.457 176.000 -0.151 0.000 1.038 167 Q CA -0.853 54.842 55.803 -0.180 0.000 0.832 167 Q CB 1.164 29.877 28.738 -0.041 0.000 1.323 167 Q HN 0.405 nan 8.270 nan 0.000 0.448 168 W N 2.650 123.998 121.300 0.080 0.000 2.304 168 W HA 0.353 5.014 4.660 0.001 0.000 0.313 168 W C 0.076 176.642 176.519 0.078 0.000 1.323 168 W CA -0.206 57.191 57.345 0.086 0.000 1.223 168 W CB 0.528 30.029 29.460 0.068 0.000 1.237 168 W HN 0.294 nan 8.180 nan 0.000 0.535 169 L N 3.417 124.854 121.223 0.358 0.000 2.330 169 L HA 0.435 4.772 4.340 -0.004 0.000 0.271 169 L C 0.700 177.685 176.870 0.190 0.000 1.013 169 L CA -1.095 53.877 54.840 0.220 0.000 0.816 169 L CB 1.759 43.916 42.059 0.162 0.000 1.287 169 L HN 0.468 nan 8.230 nan 0.000 0.435 170 S N 0.739 116.510 115.700 0.118 0.000 2.584 170 S HA 0.197 4.665 4.470 -0.004 0.000 0.270 170 S C 1.116 175.761 174.600 0.074 0.000 1.346 170 S CA -0.013 58.236 58.200 0.081 0.000 1.018 170 S CB 1.433 64.663 63.200 0.050 0.000 0.899 170 S HN 0.730 nan 8.310 nan 0.000 0.542 171 A N 1.965 124.820 122.820 0.059 0.000 1.940 171 A HA -0.091 4.227 4.320 -0.004 0.000 0.219 171 A C 2.428 180.028 177.584 0.027 0.000 1.176 171 A CA 2.267 54.335 52.037 0.050 0.000 0.631 171 A CB -2.044 16.980 19.000 0.040 0.000 0.814 171 A HN 1.150 nan 8.150 nan 0.000 0.446 172 T N -1.975 112.592 114.554 0.020 0.000 2.737 172 T HA -0.135 4.212 4.350 -0.004 0.000 0.265 172 T C 1.662 176.362 174.700 -0.001 0.000 1.038 172 T CA 1.351 63.455 62.100 0.007 0.000 1.144 172 T CB -0.469 68.403 68.868 0.007 0.000 0.866 172 T HN 0.607 nan 8.240 nan 0.000 0.434 173 E N 1.613 121.819 120.200 0.010 0.000 2.070 173 E HA -0.128 4.219 4.350 -0.004 0.000 0.197 173 E C 2.595 179.175 176.600 -0.032 0.000 1.004 173 E CA 1.267 57.668 56.400 0.001 0.000 0.805 173 E CB -0.356 29.364 29.700 0.032 0.000 0.744 173 E HN 0.683 nan 8.360 nan 0.000 0.451 174 A N 0.863 123.675 122.820 -0.013 0.000 1.897 174 A HA -0.099 4.219 4.320 -0.004 0.000 0.215 174 A C 2.181 179.715 177.584 -0.083 0.000 1.181 174 A CA 0.756 52.764 52.037 -0.048 0.000 0.620 174 A CB -0.534 18.481 19.000 0.026 0.000 0.821 174 A HN 0.116 nan 8.150 nan 0.000 0.443 175 L N -0.576 120.620 121.223 -0.044 0.000 2.042 175 L HA -0.235 4.102 4.340 -0.004 0.000 0.210 175 L C 3.109 179.938 176.870 -0.068 0.000 1.076 175 L CA 1.156 55.968 54.840 -0.047 0.000 0.749 175 L CB -0.551 41.494 42.059 -0.023 0.000 0.893 175 L HN 0.451 nan 8.230 nan 0.000 0.432 176 A N -0.374 122.407 122.820 -0.065 0.000 1.902 176 A HA -0.159 4.158 4.320 -0.004 0.000 0.217 176 A C 2.308 179.826 177.584 -0.110 0.000 1.181 176 A CA 1.810 53.805 52.037 -0.070 0.000 0.623 176 A CB -0.835 18.134 19.000 -0.052 0.000 0.818 176 A HN 0.215 nan 8.150 nan 0.000 0.443 177 V N -0.291 119.519 119.914 -0.174 0.000 2.407 177 V HA -0.229 3.888 4.120 -0.004 0.000 0.248 177 V C 2.789 178.746 176.094 -0.230 0.000 1.055 177 V CA 1.835 63.965 62.300 -0.282 0.000 1.049 177 V CB -1.052 30.423 31.823 -0.580 0.000 0.662 177 V HN 0.600 nan 8.190 nan 0.000 0.455 178 A N -0.508 122.204 122.820 -0.180 0.000 2.235 178 A HA 0.380 4.698 4.320 -0.004 0.000 0.208 178 A C 1.909 179.442 177.584 -0.085 0.000 1.172 178 A CA 0.900 52.860 52.037 -0.130 0.000 0.786 178 A CB -0.676 18.260 19.000 -0.106 0.000 0.804 178 A HN 1.252 nan 8.150 nan 0.000 0.479 179 G N -1.181 107.572 108.800 -0.079 0.000 2.176 179 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.252 179 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.252 179 G C -0.053 174.822 174.900 -0.042 0.000 1.024 179 G CA 0.648 45.716 45.100 -0.053 0.000 0.755 179 G HN 0.505 nan 8.290 nan 0.000 0.507 180 L N -1.470 119.726 121.223 -0.044 0.000 2.286 180 L HA 0.913 5.251 4.340 -0.004 0.000 0.265 180 L C 0.285 177.139 176.870 -0.026 0.000 1.012 180 L CA -1.188 53.633 54.840 -0.031 0.000 0.818 180 L CB 1.840 43.881 42.059 -0.029 0.000 1.337 180 L HN 0.131 nan 8.230 nan 0.000 0.438 181 E N -0.081 120.108 120.200 -0.019 0.000 2.336 181 E HA 0.438 4.785 4.350 -0.004 0.000 0.267 181 E C -2.514 174.080 176.600 -0.010 0.000 0.906 181 E CA -1.771 54.620 56.400 -0.014 0.000 0.781 181 E CB 1.942 31.634 29.700 -0.012 0.000 1.261 181 E HN 0.288 nan 8.360 nan 0.000 0.436 182 P HA -0.030 nan 4.420 nan 0.000 0.264 182 P C -0.884 176.414 177.300 -0.004 0.000 1.183 182 P CA 0.371 63.469 63.100 -0.003 0.000 0.763 182 P CB 0.380 32.079 31.700 -0.001 0.000 0.807 183 L N 2.182 123.403 121.223 -0.003 0.000 2.399 183 L HA 0.366 4.704 4.340 -0.004 0.000 0.265 183 L C 0.599 177.466 176.870 -0.004 0.000 1.089 183 L CA -0.066 54.772 54.840 -0.004 0.000 0.802 183 L CB 1.062 43.118 42.059 -0.004 0.000 1.180 183 L HN 0.284 nan 8.230 nan 0.000 0.454 184 T N 3.387 117.937 114.554 -0.006 0.000 2.809 184 T HA 0.471 4.818 4.350 -0.004 0.000 0.296 184 T C -0.141 174.552 174.700 -0.011 0.000 1.015 184 T CA -0.451 61.645 62.100 -0.007 0.000 0.954 184 T CB 0.502 69.367 68.868 -0.005 0.000 0.950 184 T HN 0.239 nan 8.240 nan 0.000 0.450 185 L N 2.499 123.714 121.223 -0.014 0.000 2.439 185 L HA 0.722 5.059 4.340 -0.004 0.000 0.261 185 L C 0.812 177.667 176.870 -0.025 0.000 1.153 185 L CA -0.648 54.180 54.840 -0.020 0.000 0.808 185 L CB 0.532 42.577 42.059 -0.024 0.000 1.126 185 L HN 0.619 nan 8.230 nan 0.000 0.460 186 A N 1.344 124.146 122.820 -0.030 0.000 2.284 186 A HA 0.811 5.129 4.320 -0.004 0.000 0.317 186 A C -0.131 177.424 177.584 -0.048 0.000 1.120 186 A CA -0.401 51.615 52.037 -0.035 0.000 0.900 186 A CB 0.746 19.728 19.000 -0.031 0.000 1.319 186 A HN 0.778 nan 8.150 nan 0.000 0.494 187 A N -0.324 122.462 122.820 -0.056 0.000 2.598 187 A HA 0.339 4.657 4.320 -0.004 0.000 0.239 187 A C 1.141 178.684 177.584 -0.070 0.000 1.032 187 A CA 1.522 53.517 52.037 -0.071 0.000 0.760 187 A CB -0.500 18.460 19.000 -0.068 0.000 0.946 187 A HN 2.066 nan 8.150 nan 0.000 0.512 188 K N 0.641 120.991 120.400 -0.084 0.000 3.606 188 K HA -0.241 4.077 4.320 -0.004 0.000 0.289 188 K C 0.829 177.391 176.600 -0.065 0.000 1.221 188 K CA 2.631 58.868 56.287 -0.083 0.000 1.028 188 K CB -1.898 30.554 32.500 -0.080 0.000 1.299 188 K HN 0.832 nan 8.250 nan 0.000 0.454 189 E N -0.824 119.343 120.200 -0.054 0.000 2.107 189 E HA -0.030 4.317 4.350 -0.004 0.000 0.191 189 E C 1.949 178.524 176.600 -0.042 0.000 0.982 189 E CA 0.985 57.360 56.400 -0.042 0.000 0.809 189 E CB -0.283 29.396 29.700 -0.035 0.000 0.756 189 E HN 0.569 nan 8.360 nan 0.000 0.459 190 G N 1.669 110.440 108.800 -0.049 0.000 2.446 190 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.217 190 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.217 190 G C 1.609 176.468 174.900 -0.067 0.000 1.168 190 G CA 0.454 45.519 45.100 -0.058 0.000 0.771 190 G HN 0.086 nan 8.290 nan 0.000 0.551 191 L N 0.608 121.793 121.223 -0.063 0.000 2.083 191 L HA -0.074 4.263 4.340 -0.004 0.000 0.209 191 L C 3.420 180.264 176.870 -0.042 0.000 1.083 191 L CA 0.972 55.777 54.840 -0.058 0.000 0.752 191 L CB -0.428 41.593 42.059 -0.064 0.000 0.899 191 L HN 0.335 nan 8.230 nan 0.000 0.433 192 A N 0.039 122.835 122.820 -0.040 0.000 1.933 192 A HA -0.161 4.156 4.320 -0.004 0.000 0.218 192 A C 2.228 179.804 177.584 -0.014 0.000 1.175 192 A CA 1.408 53.429 52.037 -0.026 0.000 0.628 192 A CB -0.515 18.469 19.000 -0.027 0.000 0.814 192 A HN 0.365 nan 8.150 nan 0.000 0.444 193 L N -0.781 120.432 121.223 -0.016 0.000 2.095 193 L HA -0.065 4.272 4.340 -0.004 0.000 0.204 193 L C 2.368 179.238 176.870 0.001 0.000 1.080 193 L CA 0.865 55.703 54.840 -0.004 0.000 0.759 193 L CB -0.353 41.703 42.059 -0.004 0.000 0.914 193 L HN 0.362 nan 8.230 nan 0.000 0.439 194 L N -1.341 119.875 121.223 -0.013 0.000 2.270 194 L HA 0.014 4.352 4.340 -0.004 0.000 0.210 194 L C 0.706 177.586 176.870 0.016 0.000 1.104 194 L CA 0.290 55.133 54.840 0.005 0.000 0.804 194 L CB -0.642 41.404 42.059 -0.022 0.000 0.937 194 L HN 0.267 nan 8.230 nan 0.000 0.450 195 N N 0.265 118.968 118.700 0.004 0.000 2.503 195 N HA 0.418 5.155 4.740 -0.004 0.000 0.267 195 N C 0.186 175.700 175.510 0.007 0.000 1.214 195 N CA 0.517 53.573 53.050 0.010 0.000 0.959 195 N CB 0.921 39.411 38.487 0.006 0.000 1.142 195 N HN 0.207 nan 8.380 nan 0.000 0.455 196 G N -0.822 107.981 108.800 0.005 0.000 2.381 196 G HA2 -0.114 3.843 3.960 -0.004 0.000 0.672 196 G HA3 -0.114 3.843 3.960 -0.004 0.000 0.672 196 G C -0.120 174.771 174.900 -0.014 0.000 1.324 196 G CA -0.273 44.828 45.100 0.000 0.000 0.975 196 G HN 0.544 nan 8.290 nan 0.000 0.593 197 T N -2.745 111.798 114.554 -0.018 0.000 3.228 197 T HA 0.370 4.717 4.350 -0.004 0.000 0.278 197 T C 1.422 176.091 174.700 -0.053 0.000 1.014 197 T CA 0.659 62.736 62.100 -0.039 0.000 0.904 197 T CB 0.750 69.604 68.868 -0.023 0.000 1.110 197 T HN 0.470 nan 8.240 nan 0.000 0.541 198 Q N 1.278 121.054 119.800 -0.041 0.000 2.119 198 Q HA 0.271 4.608 4.340 -0.004 0.000 0.201 198 Q C 2.558 178.517 176.000 -0.070 0.000 0.972 198 Q CA 1.650 57.434 55.803 -0.032 0.000 0.847 198 Q CB -0.441 28.296 28.738 -0.002 0.000 0.903 198 Q HN 0.722 nan 8.270 nan 0.000 0.433 199 A N -0.015 122.725 122.820 -0.133 0.000 1.855 199 A HA -0.181 4.136 4.320 -0.004 0.000 0.215 199 A C 2.255 179.545 177.584 -0.490 0.000 1.191 199 A CA 1.676 53.534 52.037 -0.298 0.000 0.613 199 A CB -0.808 17.980 19.000 -0.352 0.000 0.829 199 A HN 0.297 nan 8.150 nan 0.000 0.442 200 S N -0.193 115.284 115.700 -0.372 0.000 2.365 200 S HA -0.177 4.291 4.470 -0.004 0.000 0.225 200 S C 2.056 176.585 174.600 -0.118 0.000 1.039 200 S CA 2.038 60.078 58.200 -0.267 0.000 1.033 200 S CB -0.683 62.424 63.200 -0.154 0.000 0.887 200 S HN 0.720 nan 8.310 nan 0.000 0.447 201 T N 2.191 116.694 114.554 -0.085 0.000 2.777 201 T HA -0.010 4.338 4.350 -0.004 0.000 0.266 201 T C 2.151 176.839 174.700 -0.020 0.000 1.040 201 T CA 1.196 63.269 62.100 -0.044 0.000 1.141 201 T CB -0.522 68.325 68.868 -0.035 0.000 0.868 201 T HN 0.470 nan 8.240 nan 0.000 0.444 202 A N 0.790 123.616 122.820 0.009 0.000 1.902 202 A HA -0.092 4.226 4.320 -0.004 0.000 0.217 202 A C 2.080 179.793 177.584 0.215 0.000 1.181 202 A CA 1.283 53.370 52.037 0.083 0.000 0.623 202 A CB -0.952 18.128 19.000 0.134 0.000 0.818 202 A HN 0.475 nan 8.150 nan 0.000 0.443 203 Y N -0.213 120.154 120.300 0.112 0.000 2.181 203 Y HA -0.105 4.442 4.550 -0.005 0.000 0.288 203 Y C 2.952 178.973 175.900 0.202 0.000 1.146 203 Y CA 0.364 58.652 58.100 0.312 0.000 1.164 203 Y CB -1.260 37.346 38.460 0.243 0.000 0.982 203 Y HN 0.348 nan 8.280 nan 0.000 0.515 204 A N -0.369 122.559 122.820 0.180 0.000 1.968 204 A HA -0.068 4.250 4.320 -0.004 0.000 0.217 204 A C 2.376 179.872 177.584 -0.147 0.000 1.169 204 A CA 0.935 52.985 52.037 0.022 0.000 0.638 204 A CB -0.988 18.000 19.000 -0.020 0.000 0.812 204 A HN 0.430 nan 8.150 nan 0.000 0.446 205 L N -0.713 120.361 121.223 -0.248 0.000 2.093 205 L HA -0.162 4.175 4.340 -0.004 0.000 0.208 205 L C 2.765 179.033 176.870 -1.004 0.000 1.085 205 L CA 1.669 56.116 54.840 -0.655 0.000 0.755 205 L CB -0.367 41.358 42.059 -0.558 0.000 0.904 205 L HN 0.537 nan 8.230 nan 0.000 0.435 206 R N 0.312 120.437 120.500 -0.625 0.000 2.092 206 R HA -0.120 4.217 4.340 -0.004 0.000 0.231 206 R C 2.192 178.107 176.300 -0.641 0.000 1.119 206 R CA 1.445 57.061 56.100 -0.807 0.000 0.970 206 R CB -0.575 29.323 30.300 -0.669 0.000 0.864 206 R HN 0.303 nan 8.270 nan 0.000 0.440 207 G N 1.736 110.431 108.800 -0.175 0.000 2.440 207 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.218 207 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.218 207 G C 1.333 176.201 174.900 -0.055 0.000 1.154 207 G CA 0.855 45.976 45.100 0.035 0.000 0.767 207 G HN 0.342 nan 8.290 nan 0.000 0.552 208 L N -0.228 120.853 121.223 -0.237 0.000 1.994 208 L HA 0.064 4.401 4.340 -0.004 0.000 0.208 208 L C 2.557 179.378 176.870 -0.081 0.000 1.071 208 L CA 1.717 56.431 54.840 -0.210 0.000 0.745 208 L CB -0.721 41.115 42.059 -0.372 0.000 0.892 208 L HN 0.159 nan 8.230 nan 0.000 0.431 209 F N -0.886 118.987 119.950 -0.128 0.000 2.126 209 F HA -0.227 4.298 4.527 -0.004 0.000 0.299 209 F C 2.440 178.296 175.800 0.092 0.000 1.096 209 F CA 1.101 59.053 58.000 -0.080 0.000 1.255 209 F CB -1.621 37.260 39.000 -0.198 0.000 0.997 209 F HN 0.108 nan 8.300 nan 0.000 0.479 210 Y N 0.233 120.643 120.300 0.182 0.000 2.128 210 Y HA -0.164 4.383 4.550 -0.005 0.000 0.284 210 Y C 2.605 178.573 175.900 0.113 0.000 1.154 210 Y CA 0.510 58.693 58.100 0.138 0.000 1.149 210 Y CB -1.592 36.947 38.460 0.132 0.000 0.976 210 Y HN 0.039 nan 8.280 nan 0.000 0.505 211 A N 0.042 123.020 122.820 0.262 0.000 1.902 211 A HA -0.212 4.105 4.320 -0.004 0.000 0.217 211 A C 2.180 179.867 177.584 0.172 0.000 1.181 211 A CA 1.805 53.949 52.037 0.178 0.000 0.623 211 A CB -0.678 18.390 19.000 0.114 0.000 0.818 211 A HN 0.528 nan 8.150 nan 0.000 0.443 212 E N -0.136 120.162 120.200 0.164 0.000 2.051 212 E HA -0.193 4.154 4.350 -0.004 0.000 0.192 212 E C 1.529 178.235 176.600 0.176 0.000 0.991 212 E CA 1.178 57.668 56.400 0.151 0.000 0.799 212 E CB -0.231 29.554 29.700 0.142 0.000 0.748 212 E HN 0.540 nan 8.360 nan 0.000 0.449 213 D N 0.779 121.285 120.400 0.177 0.000 2.123 213 D HA -0.165 4.473 4.640 -0.004 0.000 0.196 213 D C 2.068 178.418 176.300 0.083 0.000 0.992 213 D CA 0.964 55.039 54.000 0.126 0.000 0.833 213 D CB -0.230 40.660 40.800 0.150 0.000 0.954 213 D HN 0.177 nan 8.370 nan 0.000 0.455 214 L N -0.480 120.808 121.223 0.109 0.000 2.109 214 L HA -0.145 4.192 4.340 -0.004 0.000 0.207 214 L C 2.432 179.339 176.870 0.062 0.000 1.086 214 L CA 0.661 55.539 54.840 0.064 0.000 0.760 214 L CB -0.476 41.633 42.059 0.082 0.000 0.910 214 L HN 0.040 nan 8.230 nan 0.000 0.437 215 Y N 1.123 121.425 120.300 0.003 0.000 2.070 215 Y HA -0.345 4.202 4.550 -0.005 0.000 0.280 215 Y C 2.571 178.430 175.900 -0.068 0.000 1.148 215 Y CA 1.699 59.789 58.100 -0.018 0.000 1.125 215 Y CB -0.308 38.148 38.460 -0.006 0.000 0.975 215 Y HN 0.090 nan 8.280 nan 0.000 0.492 216 A N 0.592 123.460 122.820 0.080 0.000 1.908 216 A HA -0.188 4.129 4.320 -0.004 0.000 0.218 216 A C 2.396 179.860 177.584 -0.199 0.000 1.181 216 A CA 2.189 54.189 52.037 -0.061 0.000 0.627 216 A CB -1.594 17.415 19.000 0.015 0.000 0.818 216 A HN 0.677 nan 8.150 nan 0.000 0.445 217 A N -0.299 122.418 122.820 -0.171 0.000 1.898 217 A HA 0.204 4.521 4.320 -0.004 0.000 0.216 217 A C 2.491 179.914 177.584 -0.268 0.000 1.181 217 A CA 1.940 53.823 52.037 -0.256 0.000 0.620 217 A CB -0.978 17.881 19.000 -0.236 0.000 0.819 217 A HN 1.093 nan 8.150 nan 0.000 0.442 218 A N -0.001 122.686 122.820 -0.223 0.000 1.972 218 A HA -0.061 4.256 4.320 -0.004 0.000 0.219 218 A C 1.946 179.385 177.584 -0.242 0.000 1.169 218 A CA 1.598 53.523 52.037 -0.187 0.000 0.635 218 A CB -0.468 18.446 19.000 -0.143 0.000 0.810 218 A HN 0.418 nan 8.150 nan 0.000 0.446 219 I N -0.063 120.233 120.570 -0.456 0.000 2.252 219 I HA -0.199 3.969 4.170 -0.004 0.000 0.245 219 I C 2.891 178.758 176.117 -0.418 0.000 1.102 219 I CA 1.390 62.286 61.300 -0.674 0.000 1.385 219 I CB -1.734 35.714 38.000 -0.920 0.000 1.064 219 I HN 0.347 nan 8.210 nan 0.000 0.414 220 A N 0.055 122.679 122.820 -0.327 0.000 1.898 220 A HA -0.191 4.126 4.320 -0.004 0.000 0.216 220 A C 2.582 180.073 177.584 -0.155 0.000 1.181 220 A CA 1.699 53.596 52.037 -0.234 0.000 0.620 220 A CB -1.115 17.726 19.000 -0.265 0.000 0.819 220 A HN 0.497 nan 8.150 nan 0.000 0.442 221 C N -1.058 118.135 119.300 -0.179 0.000 2.446 221 C HA 0.048 4.505 4.460 -0.004 0.000 0.277 221 C C 2.983 177.992 174.990 0.031 0.000 1.275 221 C CA 0.564 59.533 59.018 -0.081 0.000 1.727 221 C CB -1.529 26.159 27.740 -0.087 0.000 2.010 221 C HN 0.699 nan 8.230 nan 0.000 0.486 222 G N 0.339 109.182 108.800 0.071 0.000 2.432 222 G HA2 0.024 3.981 3.960 -0.004 0.000 0.219 222 G HA3 0.024 3.981 3.960 -0.004 0.000 0.219 222 G C 1.768 176.802 174.900 0.223 0.000 1.135 222 G CA 1.147 46.362 45.100 0.191 0.000 0.767 222 G HN 0.572 nan 8.290 nan 0.000 0.550 223 G N 1.022 109.948 108.800 0.209 0.000 2.421 223 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.216 223 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.216 223 G C 1.802 176.751 174.900 0.082 0.000 1.171 223 G CA 0.768 45.947 45.100 0.133 0.000 0.775 223 G HN 0.418 nan 8.290 nan 0.000 0.543 224 L N 0.763 122.028 121.223 0.070 0.000 2.046 224 L HA -0.093 4.244 4.340 -0.004 0.000 0.208 224 L C 3.209 180.125 176.870 0.077 0.000 1.077 224 L CA 1.286 56.175 54.840 0.081 0.000 0.747 224 L CB -0.441 41.688 42.059 0.117 0.000 0.896 224 L HN 0.159 nan 8.230 nan 0.000 0.432 225 S N -0.507 115.242 115.700 0.081 0.000 2.368 225 S HA -0.157 4.310 4.470 -0.004 0.000 0.225 225 S C 2.077 176.710 174.600 0.055 0.000 1.030 225 S CA 1.264 59.501 58.200 0.062 0.000 0.999 225 S CB -0.290 62.949 63.200 0.065 0.000 0.844 225 S HN 0.162 nan 8.310 nan 0.000 0.459 226 V N 2.203 122.165 119.914 0.079 0.000 2.324 226 V HA -0.194 3.923 4.120 -0.004 0.000 0.250 226 V C 2.538 178.671 176.094 0.065 0.000 1.060 226 V CA 1.698 64.049 62.300 0.086 0.000 1.042 226 V CB -0.555 31.351 31.823 0.138 0.000 0.650 226 V HN 0.455 nan 8.190 nan 0.000 0.450 227 E N 0.082 120.319 120.200 0.062 0.000 2.072 227 E HA -0.130 4.217 4.350 -0.004 0.000 0.190 227 E C 2.407 179.020 176.600 0.022 0.000 0.982 227 E CA 1.337 57.767 56.400 0.050 0.000 0.803 227 E CB -0.446 29.286 29.700 0.054 0.000 0.755 227 E HN 0.570 nan 8.360 nan 0.000 0.453 228 A N 1.453 124.285 122.820 0.020 0.000 1.940 228 A HA -0.154 4.163 4.320 -0.004 0.000 0.219 228 A C 2.286 179.852 177.584 -0.030 0.000 1.176 228 A CA 1.900 53.936 52.037 -0.002 0.000 0.631 228 A CB -0.492 18.508 19.000 -0.002 0.000 0.814 228 A HN 0.199 nan 8.150 nan 0.000 0.446 229 V N -3.768 116.128 119.914 -0.030 0.000 3.342 229 V HA 0.449 4.566 4.120 -0.004 0.000 0.322 229 V C 0.484 176.526 176.094 -0.087 0.000 1.370 229 V CA 0.019 62.286 62.300 -0.055 0.000 1.170 229 V CB -0.942 30.857 31.823 -0.040 0.000 1.101 229 V HN 0.449 nan 8.190 nan 0.000 0.442 230 L N 0.379 121.542 121.223 -0.101 0.000 3.597 230 L HA -0.154 4.183 4.340 -0.004 0.000 0.440 230 L C 1.007 177.838 176.870 -0.066 0.000 1.277 230 L CA 0.320 55.042 54.840 -0.196 0.000 0.852 230 L CB -1.951 39.792 42.059 -0.528 0.000 1.708 230 L HN 0.637 nan 8.230 nan 0.000 0.885 231 G N -0.238 108.577 108.800 0.024 0.000 2.616 231 G HA2 0.420 4.377 3.960 -0.004 0.000 0.268 231 G HA3 0.420 4.377 3.960 -0.004 0.000 0.268 231 G C 0.130 175.105 174.900 0.124 0.000 1.213 231 G CA 0.435 45.575 45.100 0.067 0.000 0.926 231 G HN 0.199 nan 8.290 nan 0.000 0.523 232 S N -1.608 114.158 115.700 0.110 0.000 2.617 232 S HA 0.352 4.819 4.470 -0.004 0.000 0.283 232 S C 1.256 175.963 174.600 0.178 0.000 1.189 232 S CA -0.661 57.610 58.200 0.119 0.000 1.036 232 S CB 1.273 64.510 63.200 0.061 0.000 1.014 232 S HN 0.525 nan 8.310 nan 0.000 0.522 233 R N 1.159 121.780 120.500 0.200 0.000 2.265 233 R HA 0.117 4.454 4.340 -0.004 0.000 0.194 233 R C 2.171 178.627 176.300 0.260 0.000 0.931 233 R CA 0.683 56.998 56.100 0.359 0.000 1.032 233 R CB -0.100 30.350 30.300 0.251 0.000 0.980 233 R HN 0.640 nan 8.270 nan 0.000 0.497 234 S N 1.676 117.430 115.700 0.089 0.000 2.392 234 S HA -0.120 4.347 4.470 -0.004 0.000 0.232 234 S C -1.028 173.520 174.600 -0.087 0.000 1.041 234 S CA 1.247 59.457 58.200 0.016 0.000 1.026 234 S CB -1.138 62.055 63.200 -0.012 0.000 0.845 234 S HN 0.215 nan 8.310 nan 0.000 0.465 235 P HA -0.075 nan 4.420 nan 0.000 0.220 235 P C 0.620 177.666 177.300 -0.424 0.000 1.144 235 P CA 0.998 63.813 63.100 -0.476 0.000 0.800 235 P CB -0.234 30.962 31.700 -0.840 0.000 0.772 236 F N -1.807 118.207 119.950 0.107 0.000 2.765 236 F HA 0.118 4.642 4.527 -0.005 0.000 0.302 236 F C 1.051 176.996 175.800 0.241 0.000 1.111 236 F CA -0.652 57.459 58.000 0.185 0.000 1.359 236 F CB -0.771 38.275 39.000 0.076 0.000 1.097 236 F HN -0.149 nan 8.300 nan 0.000 0.577 237 D N 1.501 122.043 120.400 0.237 0.000 2.520 237 D HA -0.030 4.607 4.640 -0.004 0.000 0.243 237 D C 1.486 177.890 176.300 0.173 0.000 1.160 237 D CA 0.539 54.627 54.000 0.147 0.000 0.877 237 D CB 1.275 42.097 40.800 0.036 0.000 1.150 237 D HN 0.259 nan 8.370 nan 0.000 0.494 238 A N 5.715 128.649 122.820 0.189 0.000 1.986 238 A HA -0.250 4.067 4.320 -0.004 0.000 0.220 238 A C 2.164 179.802 177.584 0.091 0.000 1.171 238 A CA 1.426 53.578 52.037 0.192 0.000 0.640 238 A CB -0.190 18.886 19.000 0.127 0.000 0.811 238 A HN 0.735 nan 8.150 nan 0.000 0.451 239 R N -0.675 119.837 120.500 0.019 0.000 2.115 239 R HA 0.018 4.355 4.340 -0.004 0.000 0.230 239 R C 1.902 178.139 176.300 -0.104 0.000 1.111 239 R CA 1.309 57.395 56.100 -0.025 0.000 0.976 239 R CB -0.436 29.850 30.300 -0.024 0.000 0.870 239 R HN 0.601 nan 8.270 nan 0.000 0.445 240 I N 0.154 120.580 120.570 -0.240 0.000 2.226 240 I HA -0.297 3.870 4.170 -0.004 0.000 0.245 240 I C 2.001 177.850 176.117 -0.446 0.000 1.100 240 I CA 1.324 62.363 61.300 -0.435 0.000 1.374 240 I CB -0.353 37.214 38.000 -0.721 0.000 1.057 240 I HN 0.280 nan 8.210 nan 0.000 0.413 241 H N 0.033 119.109 119.070 0.011 0.000 2.482 241 H HA 0.027 4.580 4.556 -0.004 0.000 0.286 241 H C 2.009 177.349 175.328 0.020 0.000 1.017 241 H CA 0.603 56.664 56.048 0.020 0.000 1.322 241 H CB -0.045 29.745 29.762 0.047 0.000 1.426 241 H HN 0.288 nan 8.280 nan 0.000 0.546 242 E N 1.261 121.512 120.200 0.085 0.000 2.110 242 E HA -0.055 4.292 4.350 -0.004 0.000 0.193 242 E C 2.361 178.973 176.600 0.020 0.000 0.988 242 E CA 0.869 57.300 56.400 0.052 0.000 0.804 242 E CB -0.168 29.554 29.700 0.037 0.000 0.745 242 E HN 0.406 nan 8.360 nan 0.000 0.458 243 A N 1.011 123.824 122.820 -0.012 0.000 1.969 243 A HA -0.153 4.164 4.320 -0.004 0.000 0.218 243 A C 2.194 179.771 177.584 -0.012 0.000 1.169 243 A CA 1.377 53.402 52.037 -0.021 0.000 0.635 243 A CB -0.342 18.631 19.000 -0.046 0.000 0.810 243 A HN 0.082 nan 8.150 nan 0.000 0.445 244 R N -1.347 119.151 120.500 -0.003 0.000 2.075 244 R HA 0.064 4.401 4.340 -0.004 0.000 0.226 244 R C 1.539 177.853 176.300 0.024 0.000 1.114 244 R CA 1.221 57.328 56.100 0.012 0.000 0.972 244 R CB -0.236 30.083 30.300 0.032 0.000 0.869 244 R HN 0.728 nan 8.270 nan 0.000 0.437 245 G N 0.093 108.916 108.800 0.039 0.000 2.176 245 G HA2 -0.220 3.737 3.960 -0.004 0.000 0.253 245 G HA3 -0.220 3.737 3.960 -0.004 0.000 0.253 245 G C -0.301 174.622 174.900 0.038 0.000 0.979 245 G CA 0.021 45.142 45.100 0.035 0.000 0.641 245 G HN 0.333 nan 8.290 nan 0.000 0.530 246 Q N -0.132 119.697 119.800 0.048 0.000 2.293 246 Q HA 0.412 4.749 4.340 -0.004 0.000 0.263 246 Q C 1.386 177.416 176.000 0.049 0.000 1.002 246 Q CA -0.062 55.767 55.803 0.044 0.000 0.910 246 Q CB 1.525 30.291 28.738 0.046 0.000 1.185 246 Q HN 0.469 nan 8.270 nan 0.000 0.401 247 R N 3.104 123.625 120.500 0.035 0.000 2.090 247 R HA -0.062 4.275 4.340 -0.004 0.000 0.228 247 R C 1.850 178.167 176.300 0.029 0.000 1.110 247 R CA 1.868 57.987 56.100 0.031 0.000 0.973 247 R CB -0.658 29.653 30.300 0.018 0.000 0.869 247 R HN 0.767 nan 8.270 nan 0.000 0.440 248 G N 0.198 109.012 108.800 0.024 0.000 2.446 248 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.217 248 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.217 248 G C 1.366 176.300 174.900 0.055 0.000 1.168 248 G CA 0.773 45.887 45.100 0.023 0.000 0.771 248 G HN 0.515 nan 8.290 nan 0.000 0.551 249 Q N -0.191 119.643 119.800 0.058 0.000 2.084 249 Q HA -0.049 4.289 4.340 -0.004 0.000 0.202 249 Q C 2.559 178.562 176.000 0.004 0.000 0.978 249 Q CA 1.055 56.887 55.803 0.049 0.000 0.844 249 Q CB -0.211 28.572 28.738 0.074 0.000 0.898 249 Q HN 0.554 nan 8.270 nan 0.000 0.426 250 I N 1.295 121.895 120.570 0.050 0.000 2.127 250 I HA -0.307 3.860 4.170 -0.004 0.000 0.241 250 I C 1.731 177.874 176.117 0.044 0.000 1.075 250 I CA 1.473 62.811 61.300 0.064 0.000 1.334 250 I CB -0.254 37.795 38.000 0.083 0.000 1.040 250 I HN 0.220 nan 8.210 nan 0.000 0.405 251 D N 0.082 120.511 120.400 0.048 0.000 2.178 251 D HA -0.135 4.503 4.640 -0.004 0.000 0.201 251 D C 2.222 178.570 176.300 0.081 0.000 0.980 251 D CA 1.399 55.429 54.000 0.051 0.000 0.842 251 D CB -0.371 40.448 40.800 0.032 0.000 0.948 251 D HN 0.290 nan 8.370 nan 0.000 0.472 252 T N 0.572 115.195 114.554 0.116 0.000 2.737 252 T HA -0.092 4.255 4.350 -0.004 0.000 0.265 252 T C 2.037 176.870 174.700 0.222 0.000 1.038 252 T CA 1.481 63.701 62.100 0.199 0.000 1.144 252 T CB -0.281 68.750 68.868 0.271 0.000 0.866 252 T HN 0.190 nan 8.240 nan 0.000 0.434 253 A N 1.458 124.342 122.820 0.107 0.000 1.940 253 A HA 0.102 4.419 4.320 -0.004 0.000 0.219 253 A C 2.624 180.314 177.584 0.177 0.000 1.176 253 A CA 1.892 54.020 52.037 0.151 0.000 0.631 253 A CB -1.076 17.762 19.000 -0.269 0.000 0.814 253 A HN 0.509 nan 8.150 nan 0.000 0.446 254 A N -0.998 121.881 122.820 0.099 0.000 1.908 254 A HA -0.193 4.124 4.320 -0.004 0.000 0.218 254 A C 2.308 179.912 177.584 0.033 0.000 1.181 254 A CA 1.725 53.806 52.037 0.072 0.000 0.627 254 A CB -1.287 17.746 19.000 0.055 0.000 0.818 254 A HN 0.604 nan 8.150 nan 0.000 0.445 255 C N -1.979 117.324 119.300 0.005 0.000 2.429 255 C HA -0.059 4.399 4.460 -0.004 0.000 0.277 255 C C 2.412 177.286 174.990 -0.194 0.000 1.262 255 C CA 0.830 59.786 59.018 -0.104 0.000 1.733 255 C CB -1.685 25.963 27.740 -0.154 0.000 2.010 255 C HN 0.625 nan 8.230 nan 0.000 0.483 256 F N 1.212 121.066 119.950 -0.160 0.000 2.134 256 F HA -0.107 4.418 4.527 -0.005 0.000 0.299 256 F C 2.633 178.218 175.800 -0.359 0.000 1.097 256 F CA 1.519 59.297 58.000 -0.370 0.000 1.264 256 F CB -0.560 38.045 39.000 -0.659 0.000 1.001 256 F HN 0.151 nan 8.300 nan 0.000 0.479 257 R N -0.148 120.342 120.500 -0.016 0.000 2.096 257 R HA -0.207 4.131 4.340 -0.004 0.000 0.235 257 R C 1.818 178.103 176.300 -0.026 0.000 1.127 257 R CA 1.845 57.940 56.100 -0.008 0.000 0.968 257 R CB -0.779 29.563 30.300 0.070 0.000 0.861 257 R HN 0.316 nan 8.270 nan 0.000 0.440 258 D N 0.581 120.960 120.400 -0.034 0.000 2.097 258 D HA -0.126 4.511 4.640 -0.004 0.000 0.195 258 D C 1.882 178.147 176.300 -0.059 0.000 0.989 258 D CA 1.021 54.998 54.000 -0.040 0.000 0.827 258 D CB 0.098 40.871 40.800 -0.044 0.000 0.966 258 D HN 0.080 nan 8.370 nan 0.000 0.456 259 L N -0.192 120.971 121.223 -0.099 0.000 2.109 259 L HA -0.043 4.294 4.340 -0.004 0.000 0.207 259 L C 2.406 179.236 176.870 -0.066 0.000 1.086 259 L CA 0.592 55.374 54.840 -0.096 0.000 0.760 259 L CB -0.331 41.639 42.059 -0.148 0.000 0.910 259 L HN 0.214 nan 8.230 nan 0.000 0.437 260 L N -0.749 120.428 121.223 -0.076 0.000 2.249 260 L HA 0.167 4.504 4.340 -0.004 0.000 0.207 260 L C 1.208 178.065 176.870 -0.021 0.000 1.090 260 L CA 0.457 55.265 54.840 -0.053 0.000 0.802 260 L CB -0.369 41.627 42.059 -0.105 0.000 0.947 260 L HN 0.405 nan 8.230 nan 0.000 0.453 261 G N 0.050 108.840 108.800 -0.017 0.000 2.855 261 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.352 261 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.352 261 G C -0.046 174.867 174.900 0.022 0.000 1.415 261 G CA -0.101 45.002 45.100 0.005 0.000 0.871 261 G HN 0.174 nan 8.290 nan 0.000 0.543 262 D N -0.080 120.337 120.400 0.028 0.000 2.219 262 D HA 0.144 4.781 4.640 -0.004 0.000 0.205 262 D C 1.717 178.042 176.300 0.041 0.000 0.970 262 D CA 2.239 56.263 54.000 0.039 0.000 0.851 262 D CB 0.026 40.845 40.800 0.032 0.000 0.943 262 D HN 1.297 nan 8.370 nan 0.000 0.488 263 S N -1.789 113.931 115.700 0.033 0.000 2.669 263 S HA 0.505 4.973 4.470 -0.004 0.000 0.266 263 S C -1.022 173.597 174.600 0.032 0.000 1.149 263 S CA -0.656 57.566 58.200 0.036 0.000 0.842 263 S CB 1.794 65.010 63.200 0.026 0.000 1.160 263 S HN 0.119 nan 8.310 nan 0.000 0.487 264 S N -0.829 114.894 115.700 0.038 0.000 2.625 264 S HA 0.555 5.022 4.470 -0.004 0.000 0.271 264 S C 0.534 175.158 174.600 0.039 0.000 1.161 264 S CA -0.152 58.070 58.200 0.037 0.000 0.820 264 S CB 1.348 64.573 63.200 0.042 0.000 1.137 264 S HN 0.972 nan 8.310 nan 0.000 0.470 265 E N 0.183 120.403 120.200 0.035 0.000 2.058 265 E HA -0.149 4.198 4.350 -0.004 0.000 0.194 265 E C 1.609 178.240 176.600 0.052 0.000 0.997 265 E CA 1.994 58.415 56.400 0.035 0.000 0.801 265 E CB -0.283 29.434 29.700 0.028 0.000 0.746 265 E HN 0.531 nan 8.360 nan 0.000 0.450 266 V N 1.140 121.089 119.914 0.059 0.000 2.358 266 V HA -0.258 3.859 4.120 -0.004 0.000 0.246 266 V C 2.617 178.795 176.094 0.140 0.000 1.047 266 V CA 1.934 64.281 62.300 0.078 0.000 1.035 266 V CB -0.696 31.163 31.823 0.060 0.000 0.658 266 V HN 0.417 nan 8.190 nan 0.000 0.452 267 S N 0.172 115.953 115.700 0.135 0.000 2.402 267 S HA -0.056 4.411 4.470 -0.004 0.000 0.229 267 S C 1.863 176.525 174.600 0.103 0.000 1.021 267 S CA 1.178 59.501 58.200 0.205 0.000 0.974 267 S CB -0.595 62.693 63.200 0.147 0.000 0.800 267 S HN 0.532 nan 8.310 nan 0.000 0.484 268 L N 2.522 123.774 121.223 0.049 0.000 2.465 268 L HA 0.047 4.384 4.340 -0.004 0.000 0.224 268 L C 2.769 179.640 176.870 0.001 0.000 1.145 268 L CA 0.886 55.718 54.840 -0.013 0.000 0.834 268 L CB -0.633 41.426 42.059 0.000 0.000 0.944 268 L HN 0.559 nan 8.230 nan 0.000 0.451 269 S N -0.567 115.185 115.700 0.086 0.000 2.507 269 S HA -0.141 4.327 4.470 -0.004 0.000 0.235 269 S C 0.603 175.293 174.600 0.149 0.000 0.988 269 S CA 0.076 58.339 58.200 0.105 0.000 0.944 269 S CB -0.734 62.536 63.200 0.116 0.000 0.762 269 S HN 0.694 nan 8.310 nan 0.000 0.526 270 H N -1.427 117.650 119.070 0.012 0.000 2.658 270 H HA 0.641 5.194 4.556 -0.004 0.000 0.337 270 H C 0.671 176.005 175.328 0.011 0.000 1.009 270 H CA -1.304 54.750 56.048 0.011 0.000 1.231 270 H CB 1.049 30.817 29.762 0.011 0.000 1.508 270 H HN -0.320 nan 8.280 nan 0.000 0.517 271 K N 2.264 122.659 120.400 -0.009 0.000 2.023 271 K HA -0.210 4.107 4.320 -0.004 0.000 0.227 271 K C -0.009 176.529 176.600 -0.103 0.000 1.054 271 K CA 1.401 57.659 56.287 -0.047 0.000 0.977 271 K CB -0.669 31.833 32.500 0.003 0.000 0.733 271 K HN 0.762 nan 8.250 nan 0.000 0.451 272 N N 0.070 118.762 118.700 -0.013 0.000 2.455 272 N HA 0.275 5.012 4.740 -0.004 0.000 0.280 272 N C 0.258 175.822 175.510 0.090 0.000 1.055 272 N CA 0.333 53.392 53.050 0.014 0.000 0.961 272 N CB 1.730 40.261 38.487 0.073 0.000 1.121 272 N HN 0.234 nan 8.380 nan 0.000 0.476 273 A N 1.413 124.217 122.820 -0.027 0.000 2.287 273 A HA 0.121 4.438 4.320 -0.004 0.000 0.214 273 A C 0.408 178.162 177.584 0.284 0.000 1.228 273 A CA 0.222 52.483 52.037 0.373 0.000 0.939 273 A CB 0.327 19.233 19.000 -0.157 0.000 0.992 273 A HN 0.612 nan 8.150 nan 0.000 0.502 274 D N -1.215 119.259 120.400 0.122 0.000 2.448 274 D HA 0.091 4.728 4.640 -0.004 0.000 0.256 274 D C 1.344 177.676 176.300 0.052 0.000 1.108 274 D CA 0.397 54.443 54.000 0.077 0.000 0.848 274 D CB -0.043 40.783 40.800 0.045 0.000 1.281 274 D HN 0.281 nan 8.370 nan 0.000 0.509 275 K N 0.777 121.208 120.400 0.051 0.000 2.170 275 K HA -0.300 4.017 4.320 -0.004 0.000 0.217 275 K C 0.633 177.248 176.600 0.025 0.000 0.877 275 K CA 1.867 58.174 56.287 0.034 0.000 0.997 275 K CB -0.604 31.922 32.500 0.042 0.000 0.964 275 K HN 0.112 nan 8.250 nan 0.000 0.519 276 V N 1.455 121.385 119.914 0.027 0.000 2.881 276 V HA 0.048 4.165 4.120 -0.004 0.000 0.303 276 V C -0.202 175.899 176.094 0.012 0.000 1.070 276 V CA -0.484 61.824 62.300 0.013 0.000 1.074 276 V CB 1.548 33.376 31.823 0.008 0.000 1.012 276 V HN 0.407 nan 8.190 nan 0.000 0.482 277 Q N 2.921 122.723 119.800 0.003 0.000 2.314 277 Q HA 0.270 4.607 4.340 -0.004 0.000 0.258 277 Q C -0.642 175.359 176.000 0.002 0.000 0.954 277 Q CA -0.178 55.628 55.803 0.005 0.000 0.890 277 Q CB 0.979 29.720 28.738 0.006 0.000 1.210 277 Q HN 0.694 nan 8.270 nan 0.000 0.410 278 D N 3.016 123.420 120.400 0.007 0.000 2.339 278 D HA 0.263 4.901 4.640 -0.004 0.000 0.245 278 D C -2.064 174.248 176.300 0.020 0.000 1.115 278 D CA -1.378 52.626 54.000 0.007 0.000 0.917 278 D CB 0.341 41.141 40.800 0.001 0.000 1.192 278 D HN 0.183 nan 8.370 nan 0.000 0.428 279 P HA -0.010 nan 4.420 nan 0.000 0.271 279 P C 0.745 178.119 177.300 0.124 0.000 1.233 279 P CA -0.173 62.923 63.100 -0.007 0.000 0.789 279 P CB 0.390 32.076 31.700 -0.023 0.000 0.951 280 Y N 0.311 120.592 120.300 -0.032 0.000 2.224 280 Y HA -0.171 4.376 4.550 -0.005 0.000 0.289 280 Y C 2.523 178.404 175.900 -0.032 0.000 1.146 280 Y CA 1.602 59.681 58.100 -0.035 0.000 1.182 280 Y CB -1.800 36.647 38.460 -0.021 0.000 0.983 280 Y HN 0.359 nan 8.280 nan 0.000 0.524 281 S N -0.528 115.260 115.700 0.147 0.000 2.419 281 S HA -0.152 4.316 4.470 -0.004 0.000 0.235 281 S C 1.873 176.503 174.600 0.050 0.000 1.019 281 S CA 1.268 59.518 58.200 0.083 0.000 0.982 281 S CB -0.740 62.498 63.200 0.062 0.000 0.789 281 S HN 0.427 nan 8.310 nan 0.000 0.490 282 L N 0.369 121.614 121.223 0.036 0.000 2.276 282 L HA 0.282 4.619 4.340 -0.004 0.000 0.194 282 L C 2.917 179.727 176.870 -0.101 0.000 1.099 282 L CA 0.812 55.650 54.840 -0.004 0.000 0.800 282 L CB -0.523 41.543 42.059 0.012 0.000 0.994 282 L HN 0.252 nan 8.230 nan 0.000 0.475 283 R N 0.084 120.535 120.500 -0.081 0.000 2.120 283 R HA -0.133 4.204 4.340 -0.004 0.000 0.234 283 R C 1.614 177.790 176.300 -0.208 0.000 1.123 283 R CA 1.628 57.626 56.100 -0.170 0.000 0.975 283 R CB -0.309 29.970 30.300 -0.034 0.000 0.866 283 R HN 0.363 nan 8.270 nan 0.000 0.446 284 C N 0.789 120.010 119.300 -0.131 0.000 2.780 284 C HA 0.252 4.709 4.460 -0.004 0.000 0.287 284 C C 1.711 176.647 174.990 -0.090 0.000 1.288 284 C CA -0.601 58.329 59.018 -0.147 0.000 1.713 284 C CB -0.509 27.114 27.740 -0.194 0.000 1.955 284 C HN 0.596 nan 8.230 nan 0.000 0.613 285 Q N 1.847 121.577 119.800 -0.117 0.000 2.061 285 Q HA -0.182 4.155 4.340 -0.004 0.000 0.204 285 Q C -0.495 175.521 176.000 0.027 0.000 0.984 285 Q CA 1.913 57.685 55.803 -0.052 0.000 0.846 285 Q CB -0.757 27.866 28.738 -0.191 0.000 0.902 285 Q HN 0.502 nan 8.270 nan 0.000 0.421 286 P HA -0.165 nan 4.420 nan 0.000 0.215 286 P C 0.890 178.223 177.300 0.054 0.000 1.157 286 P CA 1.299 64.422 63.100 0.038 0.000 0.868 286 P CB 0.052 31.643 31.700 -0.183 0.000 0.788 287 Q N -0.764 119.055 119.800 0.032 0.000 2.050 287 Q HA -0.107 4.231 4.340 -0.004 0.000 0.202 287 Q C 2.146 178.172 176.000 0.045 0.000 0.980 287 Q CA 1.459 57.283 55.803 0.035 0.000 0.840 287 Q CB -1.455 27.277 28.738 -0.011 0.000 0.898 287 Q HN 0.101 nan 8.270 nan 0.000 0.424 288 V N -0.223 119.717 119.914 0.044 0.000 2.302 288 V HA -0.180 3.938 4.120 -0.004 0.000 0.243 288 V C 2.004 178.164 176.094 0.111 0.000 1.036 288 V CA 1.346 63.684 62.300 0.063 0.000 1.020 288 V CB -0.436 31.420 31.823 0.055 0.000 0.657 288 V HN 0.396 nan 8.190 nan 0.000 0.453 289 M N 0.660 120.353 119.600 0.154 0.000 2.279 289 M HA -0.050 4.427 4.480 -0.004 0.000 0.264 289 M C 2.266 178.737 176.300 0.284 0.000 1.062 289 M CA 1.791 57.232 55.300 0.234 0.000 1.099 289 M CB -1.710 31.033 32.600 0.238 0.000 1.394 289 M HN 0.465 nan 8.290 nan 0.000 0.426 290 G N 0.004 108.923 108.800 0.198 0.000 2.422 290 G HA2 -0.062 3.896 3.960 -0.004 0.000 0.218 290 G HA3 -0.062 3.896 3.960 -0.004 0.000 0.218 290 G C 1.667 176.625 174.900 0.097 0.000 1.146 290 G CA 1.063 46.250 45.100 0.146 0.000 0.769 290 G HN 0.535 nan 8.290 nan 0.000 0.547 291 A N -0.045 122.826 122.820 0.085 0.000 1.930 291 A HA -0.034 4.284 4.320 -0.004 0.000 0.217 291 A C 2.550 180.168 177.584 0.057 0.000 1.175 291 A CA 1.707 53.779 52.037 0.057 0.000 0.627 291 A CB -0.865 18.164 19.000 0.048 0.000 0.815 291 A HN 0.422 nan 8.150 nan 0.000 0.443 292 C N -1.239 118.116 119.300 0.091 0.000 2.440 292 C HA -0.030 4.427 4.460 -0.004 0.000 0.278 292 C C 2.499 177.510 174.990 0.036 0.000 1.295 292 C CA 0.984 60.057 59.018 0.091 0.000 1.738 292 C CB -1.392 26.444 27.740 0.160 0.000 1.987 292 C HN 0.670 nan 8.230 nan 0.000 0.492 293 L N 1.209 122.436 121.223 0.008 0.000 2.017 293 L HA -0.113 4.224 4.340 -0.004 0.000 0.208 293 L C 2.499 179.298 176.870 -0.119 0.000 1.073 293 L CA 2.194 56.914 54.840 -0.200 0.000 0.745 293 L CB -1.314 40.584 42.059 -0.267 0.000 0.894 293 L HN 0.258 nan 8.230 nan 0.000 0.432 294 T N -0.721 113.804 114.554 -0.047 0.000 2.684 294 T HA -0.194 4.154 4.350 -0.004 0.000 0.267 294 T C 1.852 176.536 174.700 -0.027 0.000 1.036 294 T CA 1.419 63.500 62.100 -0.031 0.000 1.148 294 T CB -0.178 68.687 68.868 -0.006 0.000 0.863 294 T HN 0.353 nan 8.240 nan 0.000 0.436 295 Q N 0.838 120.630 119.800 -0.014 0.000 2.045 295 Q HA -0.128 4.210 4.340 -0.004 0.000 0.206 295 Q C 2.527 178.514 176.000 -0.021 0.000 0.991 295 Q CA 1.432 57.230 55.803 -0.009 0.000 0.851 295 Q CB -0.726 28.016 28.738 0.008 0.000 0.911 295 Q HN 0.645 nan 8.270 nan 0.000 0.418 296 L N -1.749 119.453 121.223 -0.036 0.000 2.240 296 L HA 0.056 4.394 4.340 -0.004 0.000 0.211 296 L C 2.154 178.992 176.870 -0.054 0.000 1.106 296 L CA 1.234 56.049 54.840 -0.043 0.000 0.793 296 L CB -0.479 41.552 42.059 -0.047 0.000 0.927 296 L HN -0.094 nan 8.230 nan 0.000 0.446 297 R N 0.053 120.514 120.500 -0.065 0.000 2.081 297 R HA -0.109 4.229 4.340 -0.004 0.000 0.235 297 R C 2.404 178.683 176.300 -0.036 0.000 1.131 297 R CA 1.876 57.944 56.100 -0.054 0.000 0.960 297 R CB -0.449 29.816 30.300 -0.058 0.000 0.856 297 R HN 0.565 nan 8.270 nan 0.000 0.436 298 Q N -0.180 119.602 119.800 -0.030 0.000 2.084 298 Q HA -0.120 4.217 4.340 -0.004 0.000 0.202 298 Q C 2.196 178.182 176.000 -0.024 0.000 0.978 298 Q CA 1.552 57.342 55.803 -0.022 0.000 0.844 298 Q CB -0.100 28.628 28.738 -0.017 0.000 0.898 298 Q HN 0.372 nan 8.270 nan 0.000 0.426 299 A N 1.113 123.916 122.820 -0.028 0.000 1.858 299 A HA -0.139 4.178 4.320 -0.004 0.000 0.216 299 A C 2.321 179.879 177.584 -0.043 0.000 1.190 299 A CA 1.621 53.638 52.037 -0.034 0.000 0.617 299 A CB -0.959 18.019 19.000 -0.037 0.000 0.827 299 A HN 0.407 nan 8.150 nan 0.000 0.443 300 A N -0.508 122.285 122.820 -0.046 0.000 1.940 300 A HA -0.230 4.087 4.320 -0.004 0.000 0.219 300 A C 1.969 179.536 177.584 -0.030 0.000 1.176 300 A CA 2.017 54.026 52.037 -0.046 0.000 0.631 300 A CB -0.585 18.397 19.000 -0.031 0.000 0.814 300 A HN 0.685 nan 8.150 nan 0.000 0.446 301 E N -0.478 119.707 120.200 -0.024 0.000 2.038 301 E HA -0.155 4.192 4.350 -0.004 0.000 0.195 301 E C 1.934 178.524 176.600 -0.016 0.000 1.000 301 E CA 1.641 58.031 56.400 -0.016 0.000 0.803 301 E CB -0.157 29.534 29.700 -0.016 0.000 0.750 301 E HN 0.346 nan 8.360 nan 0.000 0.448 302 V N 0.988 120.890 119.914 -0.020 0.000 2.295 302 V HA -0.259 3.858 4.120 -0.004 0.000 0.246 302 V C 2.348 178.428 176.094 -0.023 0.000 1.049 302 V CA 1.557 63.846 62.300 -0.019 0.000 1.024 302 V CB -0.414 31.398 31.823 -0.018 0.000 0.648 302 V HN 0.329 nan 8.190 nan 0.000 0.447 303 L N 0.296 121.497 121.223 -0.036 0.000 2.156 303 L HA 0.005 4.342 4.340 -0.004 0.000 0.208 303 L C 2.612 179.463 176.870 -0.033 0.000 1.095 303 L CA 1.452 56.263 54.840 -0.048 0.000 0.770 303 L CB -1.067 40.938 42.059 -0.091 0.000 0.914 303 L HN 0.463 nan 8.230 nan 0.000 0.439 304 G N 0.247 109.035 108.800 -0.020 0.000 2.422 304 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.218 304 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.218 304 G C 1.614 176.516 174.900 0.004 0.000 1.140 304 G CA 0.388 45.490 45.100 0.002 0.000 0.775 304 G HN 0.244 nan 8.290 nan 0.000 0.545 305 I N 0.163 120.732 120.570 -0.002 0.000 2.252 305 I HA -0.093 4.074 4.170 -0.004 0.000 0.245 305 I C 2.643 178.759 176.117 -0.001 0.000 1.102 305 I CA 1.271 62.571 61.300 -0.001 0.000 1.385 305 I CB -0.037 37.960 38.000 -0.005 0.000 1.064 305 I HN 0.162 nan 8.210 nan 0.000 0.414 306 E N 1.275 121.471 120.200 -0.006 0.000 2.204 306 E HA -0.146 4.201 4.350 -0.004 0.000 0.194 306 E C 2.051 178.651 176.600 -0.001 0.000 0.989 306 E CA 1.211 57.608 56.400 -0.006 0.000 0.824 306 E CB -0.073 29.621 29.700 -0.011 0.000 0.756 306 E HN 0.416 nan 8.360 nan 0.000 0.477 307 A N 0.415 123.236 122.820 0.002 0.000 2.070 307 A HA -0.113 4.204 4.320 -0.004 0.000 0.220 307 A C 1.585 179.182 177.584 0.022 0.000 1.159 307 A CA 1.336 53.381 52.037 0.014 0.000 0.656 307 A CB -0.252 18.763 19.000 0.024 0.000 0.800 307 A HN 0.197 nan 8.150 nan 0.000 0.453 308 N N -0.335 118.377 118.700 0.019 0.000 2.203 308 N HA 0.261 4.998 4.740 -0.004 0.000 0.207 308 N C 0.326 175.847 175.510 0.018 0.000 1.130 308 N CA 0.610 53.675 53.050 0.025 0.000 0.861 308 N CB 0.286 38.788 38.487 0.026 0.000 1.005 308 N HN 0.430 nan 8.380 nan 0.000 0.507 309 A N 0.563 123.388 122.820 0.008 0.000 2.386 309 A HA 0.300 4.618 4.320 -0.004 0.000 0.248 309 A C 0.439 178.021 177.584 -0.003 0.000 1.082 309 A CA -0.182 51.852 52.037 -0.005 0.000 0.789 309 A CB 0.585 19.581 19.000 -0.007 0.000 1.025 309 A HN -0.003 nan 8.150 nan 0.000 0.490 310 V N 2.876 122.771 119.914 -0.032 0.000 2.356 310 V HA 0.182 4.299 4.120 -0.004 0.000 0.258 310 V C 1.085 177.167 176.094 -0.020 0.000 1.065 310 V CA 0.886 63.170 62.300 -0.028 0.000 0.935 310 V CB 0.272 32.028 31.823 -0.112 0.000 1.061 310 V HN 1.049 nan 8.190 nan 0.000 0.484 311 S N 1.362 117.062 115.700 0.000 0.000 2.578 311 S HA 0.119 4.586 4.470 -0.004 0.000 0.231 311 S C 0.436 175.040 174.600 0.008 0.000 0.994 311 S CA -0.558 57.645 58.200 0.004 0.000 0.956 311 S CB -0.086 63.118 63.200 0.006 0.000 0.870 311 S HN 0.803 nan 8.310 nan 0.000 0.494 312 D N 1.701 122.105 120.400 0.005 0.000 2.469 312 D HA 0.404 5.041 4.640 -0.004 0.000 0.278 312 D C -0.303 175.998 176.300 0.002 0.000 1.231 312 D CA -0.497 53.505 54.000 0.003 0.000 1.075 312 D CB 0.129 40.927 40.800 -0.003 0.000 1.121 312 D HN 0.225 nan 8.370 nan 0.000 0.571 313 N N -1.538 117.159 118.700 -0.005 0.000 2.555 313 N HA 0.333 5.070 4.740 -0.004 0.000 0.265 313 N C -2.951 172.538 175.510 -0.034 0.000 1.135 313 N CA -1.099 51.952 53.050 0.000 0.000 0.925 313 N CB 2.267 40.777 38.487 0.039 0.000 1.662 313 N HN 0.099 nan 8.380 nan 0.000 0.489 314 P HA 0.300 nan 4.420 nan 0.000 0.276 314 P C -0.752 176.506 177.300 -0.070 0.000 1.261 314 P CA -0.397 62.693 63.100 -0.017 0.000 0.800 314 P CB 1.083 32.785 31.700 0.003 0.000 1.066 315 L N 0.282 121.440 121.223 -0.109 0.000 2.334 315 L HA 0.364 4.701 4.340 -0.004 0.000 0.277 315 L C 0.111 176.700 176.870 -0.469 0.000 1.075 315 L CA -1.103 53.549 54.840 -0.313 0.000 0.804 315 L CB 1.206 42.986 42.059 -0.464 0.000 1.174 315 L HN 0.066 nan 8.230 nan 0.000 0.438 316 V N 2.957 122.605 119.914 -0.443 0.000 2.350 316 V HA 0.260 4.377 4.120 -0.004 0.000 0.276 316 V C -0.529 175.313 176.094 -0.420 0.000 1.028 316 V CA -0.229 61.877 62.300 -0.323 0.000 0.860 316 V CB 0.861 32.587 31.823 -0.160 0.000 0.990 316 V HN 0.378 nan 8.190 nan 0.000 0.453 317 F N 3.470 123.486 119.950 0.110 0.000 2.319 317 F HA 0.532 5.056 4.527 -0.003 0.000 0.356 317 F C 1.244 177.062 175.800 0.030 0.000 1.100 317 F CA -0.629 57.437 58.000 0.110 0.000 1.220 317 F CB 0.954 40.041 39.000 0.145 0.000 1.506 317 F HN 0.568 nan 8.300 nan 0.000 0.512 318 A N 1.974 124.843 122.820 0.083 0.000 1.972 318 A HA -0.042 4.275 4.320 -0.004 0.000 0.219 318 A C 2.384 179.997 177.584 0.048 0.000 1.169 318 A CA 1.773 53.827 52.037 0.028 0.000 0.635 318 A CB -0.589 18.386 19.000 -0.041 0.000 0.810 318 A HN 0.651 nan 8.150 nan 0.000 0.446 319 A N -0.528 122.334 122.820 0.070 0.000 1.972 319 A HA -0.108 4.209 4.320 -0.004 0.000 0.219 319 A C 1.850 179.475 177.584 0.069 0.000 1.169 319 A CA 1.919 53.992 52.037 0.060 0.000 0.635 319 A CB -0.272 18.769 19.000 0.068 0.000 0.810 319 A HN 0.516 nan 8.150 nan 0.000 0.446 320 E N -2.329 117.937 120.200 0.110 0.000 2.431 320 E HA 0.324 4.671 4.350 -0.004 0.000 0.200 320 E C 1.200 177.852 176.600 0.086 0.000 0.995 320 E CA 0.717 57.170 56.400 0.089 0.000 0.915 320 E CB 0.294 30.052 29.700 0.095 0.000 0.930 320 E HN 0.696 nan 8.360 nan 0.000 0.496 321 G N 1.187 110.045 108.800 0.095 0.000 2.157 321 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.248 321 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.248 321 G C -0.312 174.640 174.900 0.086 0.000 0.979 321 G CA 0.213 45.354 45.100 0.069 0.000 0.650 321 G HN 0.266 nan 8.290 nan 0.000 0.529 322 D N -0.366 120.121 120.400 0.145 0.000 2.255 322 D HA 0.575 5.212 4.640 -0.004 0.000 0.249 322 D C 0.110 176.513 176.300 0.172 0.000 1.078 322 D CA 0.043 54.154 54.000 0.184 0.000 0.896 322 D CB 1.825 42.791 40.800 0.276 0.000 1.194 322 D HN 0.145 nan 8.370 nan 0.000 0.429 323 V N 4.169 124.161 119.914 0.130 0.000 2.531 323 V HA 0.470 4.587 4.120 -0.004 0.000 0.301 323 V C -0.308 175.862 176.094 0.126 0.000 1.034 323 V CA -0.676 61.667 62.300 0.072 0.000 0.865 323 V CB 1.417 33.257 31.823 0.028 0.000 0.995 323 V HN 0.435 nan 8.190 nan 0.000 0.424 324 I N 2.802 123.449 120.570 0.128 0.000 2.647 324 I HA 0.421 4.589 4.170 -0.004 0.000 0.295 324 I C -0.261 175.944 176.117 0.147 0.000 1.078 324 I CA -0.441 60.970 61.300 0.186 0.000 1.048 324 I CB 2.445 40.634 38.000 0.316 0.000 1.239 324 I HN 0.578 nan 8.210 nan 0.000 0.421 325 S N 3.190 118.987 115.700 0.162 0.000 2.429 325 S HA 0.781 5.248 4.470 -0.004 0.000 0.302 325 S C -0.111 174.569 174.600 0.134 0.000 1.115 325 S CA -0.304 57.997 58.200 0.168 0.000 1.095 325 S CB 0.937 64.289 63.200 0.253 0.000 0.987 325 S HN 0.892 nan 8.310 nan 0.000 0.474 326 G N 2.111 110.981 108.800 0.117 0.000 3.211 326 G HA2 0.602 4.559 3.960 -0.004 0.000 0.262 326 G HA3 0.602 4.559 3.960 -0.004 0.000 0.262 326 G C 0.195 175.149 174.900 0.090 0.000 1.352 326 G CA -0.390 44.767 45.100 0.095 0.000 1.004 326 G HN 0.890 nan 8.290 nan 0.000 0.559 327 G N -0.434 108.413 108.800 0.078 0.000 4.044 327 G HA2 0.183 4.140 3.960 -0.004 0.000 0.297 327 G HA3 0.183 4.140 3.960 -0.004 0.000 0.297 327 G C 0.494 175.454 174.900 0.099 0.000 1.101 327 G CA -0.216 44.941 45.100 0.096 0.000 0.884 327 G HN 0.316 nan 8.290 nan 0.000 0.538 328 N N 0.941 119.685 118.700 0.072 0.000 2.573 328 N HA -0.049 4.688 4.740 -0.004 0.000 0.187 328 N C 2.233 177.782 175.510 0.065 0.000 1.107 328 N CA 0.849 53.935 53.050 0.059 0.000 0.918 328 N CB 0.145 38.651 38.487 0.032 0.000 0.966 328 N HN 0.353 nan 8.380 nan 0.000 0.448 329 G N -0.814 108.030 108.800 0.072 0.000 2.534 329 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.217 329 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.217 329 G C 0.509 175.444 174.900 0.058 0.000 1.128 329 G CA 0.135 45.265 45.100 0.050 0.000 0.784 329 G HN 0.356 nan 8.290 nan 0.000 0.542 330 H N 1.096 120.180 119.070 0.023 0.000 3.017 330 H HA 0.402 4.957 4.556 -0.003 0.000 0.276 330 H C 0.578 175.918 175.328 0.019 0.000 1.062 330 H CA 0.031 56.097 56.048 0.031 0.000 1.486 330 H CB 1.170 30.964 29.762 0.053 0.000 1.507 330 H HN 0.061 nan 8.280 nan 0.000 0.508 331 A N 4.559 127.446 122.820 0.113 0.000 2.579 331 A HA 0.031 4.349 4.320 -0.004 0.000 0.273 331 A C 1.914 179.585 177.584 0.144 0.000 1.363 331 A CA -0.018 52.073 52.037 0.090 0.000 0.953 331 A CB -0.283 18.712 19.000 -0.009 0.000 1.034 331 A HN 0.793 nan 8.150 nan 0.000 0.536 332 E N 1.806 122.200 120.200 0.324 0.000 2.086 332 E HA -0.180 4.167 4.350 -0.004 0.000 0.200 332 E C -0.549 176.109 176.600 0.097 0.000 1.012 332 E CA 2.551 59.084 56.400 0.222 0.000 0.812 332 E CB -0.585 29.219 29.700 0.174 0.000 0.743 332 E HN 0.502 nan 8.360 nan 0.000 0.453 333 P HA -0.130 nan 4.420 nan 0.000 0.218 333 P C 1.396 178.707 177.300 0.018 0.000 1.149 333 P CA 1.094 64.210 63.100 0.027 0.000 0.817 333 P CB 0.031 31.740 31.700 0.015 0.000 0.785 334 V N 0.826 120.752 119.914 0.020 0.000 2.358 334 V HA -0.189 3.928 4.120 -0.004 0.000 0.246 334 V C 2.863 178.959 176.094 0.003 0.000 1.047 334 V CA 2.074 64.375 62.300 0.001 0.000 1.035 334 V CB -1.698 30.120 31.823 -0.010 0.000 0.658 334 V HN 0.102 nan 8.190 nan 0.000 0.452 335 A N -0.316 122.517 122.820 0.020 0.000 1.902 335 A HA -0.220 4.097 4.320 -0.004 0.000 0.217 335 A C 2.241 179.840 177.584 0.024 0.000 1.181 335 A CA 2.194 54.245 52.037 0.023 0.000 0.623 335 A CB -0.460 18.566 19.000 0.044 0.000 0.818 335 A HN 0.498 nan 8.150 nan 0.000 0.443 336 M N -0.643 118.973 119.600 0.025 0.000 2.175 336 M HA -0.071 4.407 4.480 -0.004 0.000 0.264 336 M C 2.502 178.804 176.300 0.004 0.000 1.063 336 M CA 1.174 56.483 55.300 0.015 0.000 1.119 336 M CB -0.395 32.213 32.600 0.013 0.000 1.377 336 M HN 0.465 nan 8.290 nan 0.000 0.415 337 A N 0.662 123.481 122.820 -0.001 0.000 1.940 337 A HA -0.082 4.235 4.320 -0.004 0.000 0.219 337 A C 2.376 179.953 177.584 -0.013 0.000 1.176 337 A CA 2.006 54.035 52.037 -0.012 0.000 0.631 337 A CB -0.833 18.153 19.000 -0.022 0.000 0.814 337 A HN 0.494 nan 8.150 nan 0.000 0.446 338 A N -0.159 122.655 122.820 -0.009 0.000 1.897 338 A HA -0.125 4.192 4.320 -0.004 0.000 0.215 338 A C 1.767 179.354 177.584 0.005 0.000 1.181 338 A CA 1.697 53.729 52.037 -0.008 0.000 0.620 338 A CB -0.517 18.473 19.000 -0.017 0.000 0.821 338 A HN 0.431 nan 8.150 nan 0.000 0.443 339 D N 0.315 120.723 120.400 0.013 0.000 2.178 339 D HA -0.128 4.509 4.640 -0.004 0.000 0.201 339 D C 1.534 177.838 176.300 0.007 0.000 0.980 339 D CA 1.113 55.123 54.000 0.016 0.000 0.842 339 D CB -0.349 40.455 40.800 0.007 0.000 0.948 339 D HN 0.351 nan 8.370 nan 0.000 0.472 340 N N 0.435 119.136 118.700 0.002 0.000 2.120 340 N HA -0.073 4.664 4.740 -0.004 0.000 0.188 340 N C 2.051 177.567 175.510 0.009 0.000 1.024 340 N CA 0.378 53.429 53.050 0.002 0.000 0.852 340 N CB -0.464 38.021 38.487 -0.004 0.000 1.003 340 N HN 0.237 nan 8.380 nan 0.000 0.424 341 L N 0.597 121.825 121.223 0.008 0.000 2.131 341 L HA -0.101 4.236 4.340 -0.004 0.000 0.210 341 L C 2.304 179.197 176.870 0.037 0.000 1.092 341 L CA 0.916 55.768 54.840 0.019 0.000 0.759 341 L CB -0.456 41.611 42.059 0.013 0.000 0.903 341 L HN 0.120 nan 8.230 nan 0.000 0.435 342 A N 0.309 123.150 122.820 0.034 0.000 1.948 342 A HA -0.202 4.115 4.320 -0.004 0.000 0.220 342 A C 2.225 179.835 177.584 0.043 0.000 1.177 342 A CA 1.579 53.642 52.037 0.042 0.000 0.636 342 A CB -0.677 18.346 19.000 0.039 0.000 0.815 342 A HN 0.396 nan 8.150 nan 0.000 0.449 343 L N -1.075 120.167 121.223 0.033 0.000 2.056 343 L HA -0.179 4.158 4.340 -0.004 0.000 0.207 343 L C 3.116 180.014 176.870 0.047 0.000 1.078 343 L CA 1.102 55.962 54.840 0.034 0.000 0.749 343 L CB -0.839 41.233 42.059 0.023 0.000 0.901 343 L HN 0.444 nan 8.230 nan 0.000 0.433 344 A N 0.737 123.587 122.820 0.049 0.000 1.858 344 A HA -0.184 4.134 4.320 -0.004 0.000 0.216 344 A C 2.218 179.852 177.584 0.082 0.000 1.190 344 A CA 1.654 53.731 52.037 0.067 0.000 0.617 344 A CB -0.692 18.343 19.000 0.059 0.000 0.827 344 A HN 0.333 nan 8.150 nan 0.000 0.443 345 I N -0.298 120.320 120.570 0.080 0.000 2.226 345 I HA -0.255 3.912 4.170 -0.004 0.000 0.245 345 I C 2.968 179.131 176.117 0.076 0.000 1.100 345 I CA 0.975 62.328 61.300 0.089 0.000 1.374 345 I CB -0.350 37.708 38.000 0.098 0.000 1.057 345 I HN 0.363 nan 8.210 nan 0.000 0.413 346 A N 0.408 123.267 122.820 0.066 0.000 1.877 346 A HA -0.196 4.121 4.320 -0.004 0.000 0.216 346 A C 2.250 179.870 177.584 0.059 0.000 1.186 346 A CA 1.569 53.641 52.037 0.058 0.000 0.620 346 A CB -0.423 18.608 19.000 0.051 0.000 0.822 346 A HN 0.315 nan 8.150 nan 0.000 0.443 347 E N -0.197 120.040 120.200 0.062 0.000 2.208 347 E HA -0.059 4.288 4.350 -0.004 0.000 0.193 347 E C 1.935 178.578 176.600 0.073 0.000 0.988 347 E CA 0.589 57.027 56.400 0.064 0.000 0.828 347 E CB -0.338 29.399 29.700 0.063 0.000 0.763 347 E HN 0.734 nan 8.360 nan 0.000 0.478 348 I N 0.530 121.149 120.570 0.082 0.000 2.208 348 I HA -0.207 3.960 4.170 -0.004 0.000 0.245 348 I C 2.402 178.558 176.117 0.064 0.000 1.097 348 I CA 1.424 62.773 61.300 0.081 0.000 1.363 348 I CB -0.422 37.634 38.000 0.093 0.000 1.051 348 I HN 0.108 nan 8.210 nan 0.000 0.413 349 G N -0.664 108.173 108.800 0.062 0.000 2.403 349 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.216 349 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.216 349 G C 1.754 176.687 174.900 0.054 0.000 1.154 349 G CA 0.885 46.019 45.100 0.055 0.000 0.784 349 G HN 0.384 nan 8.290 nan 0.000 0.538 350 S N -0.134 115.599 115.700 0.055 0.000 2.368 350 S HA -0.086 4.381 4.470 -0.004 0.000 0.225 350 S C 2.322 176.955 174.600 0.056 0.000 1.030 350 S CA 1.356 59.587 58.200 0.052 0.000 0.999 350 S CB -0.239 62.992 63.200 0.051 0.000 0.844 350 S HN 0.181 nan 8.310 nan 0.000 0.459 351 L N 1.351 122.610 121.223 0.061 0.000 2.093 351 L HA 0.080 4.418 4.340 -0.004 0.000 0.208 351 L C 2.640 179.547 176.870 0.063 0.000 1.085 351 L CA 2.078 56.956 54.840 0.065 0.000 0.755 351 L CB -1.089 41.013 42.059 0.072 0.000 0.904 351 L HN 0.413 nan 8.230 nan 0.000 0.435 352 S N -0.983 114.754 115.700 0.061 0.000 2.368 352 S HA -0.237 4.230 4.470 -0.004 0.000 0.225 352 S C 2.091 176.727 174.600 0.060 0.000 1.030 352 S CA 1.452 59.689 58.200 0.061 0.000 0.999 352 S CB -0.460 62.774 63.200 0.056 0.000 0.844 352 S HN 0.570 nan 8.310 nan 0.000 0.459 353 E N 0.805 121.038 120.200 0.056 0.000 2.118 353 E HA -0.154 4.194 4.350 -0.004 0.000 0.195 353 E C 2.149 178.778 176.600 0.048 0.000 0.992 353 E CA 0.878 57.309 56.400 0.052 0.000 0.804 353 E CB -0.165 29.563 29.700 0.047 0.000 0.741 353 E HN 0.340 nan 8.360 nan 0.000 0.458 354 R N 0.279 120.808 120.500 0.048 0.000 2.148 354 R HA 0.001 4.339 4.340 -0.004 0.000 0.227 354 R C 2.395 178.718 176.300 0.038 0.000 1.103 354 R CA 0.599 56.724 56.100 0.042 0.000 0.983 354 R CB -0.437 29.891 30.300 0.046 0.000 0.874 354 R HN 0.219 nan 8.270 nan 0.000 0.451 355 R N 0.113 120.640 120.500 0.046 0.000 2.092 355 R HA 0.023 4.360 4.340 -0.004 0.000 0.231 355 R C 2.344 178.664 176.300 0.033 0.000 1.119 355 R CA 0.974 57.099 56.100 0.042 0.000 0.970 355 R CB -0.284 30.049 30.300 0.055 0.000 0.864 355 R HN 0.173 nan 8.270 nan 0.000 0.440 356 I N 0.037 120.633 120.570 0.044 0.000 2.179 356 I HA -0.295 3.872 4.170 -0.004 0.000 0.242 356 I C 2.600 178.733 176.117 0.027 0.000 1.088 356 I CA 1.168 62.494 61.300 0.043 0.000 1.357 356 I CB -0.338 37.704 38.000 0.069 0.000 1.051 356 I HN 0.132 nan 8.210 nan 0.000 0.409 357 S N 0.914 116.631 115.700 0.030 0.000 2.370 357 S HA -0.209 4.258 4.470 -0.004 0.000 0.226 357 S C 2.098 176.695 174.600 -0.006 0.000 1.033 357 S CA 1.397 59.610 58.200 0.021 0.000 1.011 357 S CB -0.381 62.834 63.200 0.025 0.000 0.852 357 S HN 0.398 nan 8.310 nan 0.000 0.457 358 L N 0.592 121.811 121.223 -0.007 0.000 2.017 358 L HA -0.071 4.266 4.340 -0.004 0.000 0.208 358 L C 2.457 179.298 176.870 -0.048 0.000 1.073 358 L CA 1.754 56.581 54.840 -0.022 0.000 0.745 358 L CB -0.273 41.782 42.059 -0.007 0.000 0.894 358 L HN 0.417 nan 8.230 nan 0.000 0.432 359 M N -1.375 118.197 119.600 -0.048 0.000 2.374 359 M HA -0.173 4.304 4.480 -0.004 0.000 0.264 359 M C 1.850 178.077 176.300 -0.122 0.000 1.067 359 M CA 1.048 56.298 55.300 -0.083 0.000 1.103 359 M CB -0.080 32.469 32.600 -0.085 0.000 1.402 359 M HN 0.312 nan 8.290 nan 0.000 0.444 360 M N -0.542 118.997 119.600 -0.102 0.000 2.492 360 M HA 0.020 4.498 4.480 -0.004 0.000 0.262 360 M C 0.192 176.301 176.300 -0.318 0.000 1.090 360 M CA 0.809 56.014 55.300 -0.159 0.000 1.110 360 M CB -0.984 31.608 32.600 -0.013 0.000 1.407 360 M HN 0.013 nan 8.290 nan 0.000 0.470 361 D N 1.559 121.828 120.400 -0.219 0.000 2.396 361 D HA 0.139 4.777 4.640 -0.004 0.000 0.225 361 D C 1.052 177.197 176.300 -0.258 0.000 1.121 361 D CA -0.065 53.787 54.000 -0.247 0.000 0.853 361 D CB 0.944 41.673 40.800 -0.118 0.000 1.043 361 D HN 0.263 nan 8.370 nan 0.000 0.500 362 K N 2.538 122.710 120.400 -0.380 0.000 2.163 362 K HA -0.306 4.011 4.320 -0.004 0.000 0.210 362 K C 0.878 177.325 176.600 -0.256 0.000 1.048 362 K CA 1.747 57.825 56.287 -0.348 0.000 0.928 362 K CB -0.523 31.711 32.500 -0.444 0.000 0.716 362 K HN 0.531 nan 8.250 nan 0.000 0.459 363 H N -0.968 118.047 119.070 -0.091 0.000 2.547 363 H HA 0.152 4.705 4.556 -0.005 0.000 0.272 363 H C 1.572 176.862 175.328 -0.064 0.000 0.989 363 H CA 0.915 56.923 56.048 -0.067 0.000 1.214 363 H CB 0.227 29.953 29.762 -0.059 0.000 1.389 363 H HN 0.176 nan 8.280 nan 0.000 0.577 364 M N -0.709 118.896 119.600 0.009 0.000 2.564 364 M HA 0.080 4.557 4.480 -0.004 0.000 0.254 364 M C 1.956 178.232 176.300 -0.040 0.000 1.299 364 M CA 0.567 55.860 55.300 -0.011 0.000 1.143 364 M CB 0.227 32.817 32.600 -0.016 0.000 1.427 364 M HN 0.217 nan 8.290 nan 0.000 0.538 365 S N -0.278 115.381 115.700 -0.068 0.000 2.501 365 S HA 0.016 4.483 4.470 -0.004 0.000 0.220 365 S C 0.871 175.426 174.600 -0.075 0.000 0.997 365 S CA 0.054 58.209 58.200 -0.076 0.000 0.919 365 S CB -0.174 62.964 63.200 -0.104 0.000 0.778 365 S HN 0.536 nan 8.310 nan 0.000 0.523 366 Q N 0.333 120.091 119.800 -0.070 0.000 2.457 366 Q HA -0.142 4.195 4.340 -0.004 0.000 0.283 366 Q C -0.932 175.026 176.000 -0.069 0.000 1.234 366 Q CA 0.713 56.477 55.803 -0.065 0.000 0.877 366 Q CB -1.720 26.975 28.738 -0.071 0.000 1.250 366 Q HN 0.648 nan 8.270 nan 0.000 0.481 367 L N -0.965 120.208 121.223 -0.084 0.000 2.327 367 L HA 0.639 4.977 4.340 -0.004 0.000 0.258 367 L C -2.188 174.625 176.870 -0.095 0.000 1.024 367 L CA -2.561 52.231 54.840 -0.080 0.000 0.825 367 L CB 1.553 43.558 42.059 -0.090 0.000 1.386 367 L HN -0.186 nan 8.230 nan 0.000 0.417 368 P HA 0.135 nan 4.420 nan 0.000 0.269 368 P C -2.579 174.648 177.300 -0.123 0.000 1.209 368 P CA -1.080 61.981 63.100 -0.065 0.000 0.776 368 P CB -0.410 31.287 31.700 -0.004 0.000 0.876 369 P HA -0.006 nan 4.420 nan 0.000 0.262 369 P C -0.166 176.998 177.300 -0.227 0.000 1.182 369 P CA 0.414 63.283 63.100 -0.386 0.000 0.761 369 P CB -0.282 31.210 31.700 -0.347 0.000 0.795 370 F N 1.115 121.041 119.950 -0.040 0.000 3.006 370 F HA -0.212 4.313 4.527 -0.005 0.000 0.289 370 F C 0.981 176.772 175.800 -0.015 0.000 0.772 370 F CA 0.240 58.235 58.000 -0.008 0.000 1.162 370 F CB -2.463 36.553 39.000 0.025 0.000 1.382 370 F HN 0.145 nan 8.300 nan 0.000 0.406 371 L N -2.320 118.901 121.223 -0.003 0.000 4.291 371 L HA -0.191 4.147 4.340 -0.004 0.000 0.413 371 L C 0.122 177.021 176.870 0.047 0.000 1.162 371 L CA 0.930 55.711 54.840 -0.097 0.000 0.961 371 L CB -1.874 39.905 42.059 -0.467 0.000 2.095 371 L HN 0.466 nan 8.230 nan 0.000 0.838 372 V N -4.309 115.688 119.914 0.139 0.000 3.007 372 V HA 0.818 4.936 4.120 -0.004 0.000 0.311 372 V C 0.371 176.557 176.094 0.153 0.000 1.120 372 V CA -1.164 61.254 62.300 0.195 0.000 0.980 372 V CB 2.351 34.346 31.823 0.285 0.000 1.033 372 V HN 0.183 nan 8.190 nan 0.000 0.429 373 E N 1.527 121.819 120.200 0.154 0.000 2.283 373 E HA 0.550 4.897 4.350 -0.004 0.000 0.267 373 E C -0.397 176.274 176.600 0.117 0.000 1.045 373 E CA -0.348 56.123 56.400 0.117 0.000 0.884 373 E CB 0.486 30.249 29.700 0.105 0.000 1.106 373 E HN 0.901 nan 8.360 nan 0.000 0.408 374 N N 0.249 119.003 118.700 0.091 0.000 2.861 374 N HA -0.147 4.591 4.740 -0.004 0.000 0.247 374 N C 0.727 176.293 175.510 0.093 0.000 1.117 374 N CA 0.719 53.817 53.050 0.081 0.000 0.703 374 N CB -1.656 36.877 38.487 0.077 0.000 1.052 374 N HN 0.726 nan 8.380 nan 0.000 0.555 375 G N -0.046 108.815 108.800 0.102 0.000 2.485 375 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.221 375 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.221 375 G C 1.596 176.559 174.900 0.105 0.000 1.115 375 G CA 1.207 46.382 45.100 0.125 0.000 0.751 375 G HN 0.583 nan 8.290 nan 0.000 0.567 376 G N -0.022 108.824 108.800 0.077 0.000 2.450 376 G HA2 -0.065 3.893 3.960 -0.004 0.000 0.220 376 G HA3 -0.065 3.893 3.960 -0.004 0.000 0.220 376 G C 1.437 176.370 174.900 0.056 0.000 1.130 376 G CA 1.424 46.561 45.100 0.062 0.000 0.760 376 G HN 0.437 nan 8.290 nan 0.000 0.557 377 V N -0.159 119.792 119.914 0.060 0.000 3.605 377 V HA 0.210 4.327 4.120 -0.004 0.000 0.284 377 V C 0.274 176.407 176.094 0.064 0.000 1.386 377 V CA -0.210 62.121 62.300 0.053 0.000 1.053 377 V CB -0.129 31.722 31.823 0.047 0.000 0.857 377 V HN 0.203 nan 8.190 nan 0.000 0.436 378 N N -0.130 118.624 118.700 0.089 0.000 2.272 378 N HA 0.369 5.106 4.740 -0.004 0.000 0.305 378 N C 0.288 175.857 175.510 0.099 0.000 1.103 378 N CA -0.159 52.962 53.050 0.118 0.000 0.791 378 N CB 2.261 40.853 38.487 0.174 0.000 1.356 378 N HN -0.044 nan 8.380 nan 0.000 0.486 379 S N 0.183 115.923 115.700 0.066 0.000 2.486 379 S HA 0.153 4.620 4.470 -0.004 0.000 0.220 379 S C 1.383 175.957 174.600 -0.043 0.000 1.011 379 S CA 0.314 58.472 58.200 -0.070 0.000 0.921 379 S CB 0.068 63.186 63.200 -0.137 0.000 0.785 379 S HN 0.930 nan 8.310 nan 0.000 0.517 380 G N 2.111 110.977 108.800 0.111 0.000 2.660 380 G HA2 -0.346 3.611 3.960 -0.004 0.000 0.321 380 G HA3 -0.346 3.611 3.960 -0.004 0.000 0.321 380 G C 0.379 175.221 174.900 -0.095 0.000 1.246 380 G CA 0.785 45.927 45.100 0.069 0.000 1.000 380 G HN 0.417 nan 8.290 nan 0.000 0.550 381 F N 1.283 121.129 119.950 -0.172 0.000 2.804 381 F HA 0.394 4.919 4.527 -0.004 0.000 0.303 381 F C 2.610 178.222 175.800 -0.314 0.000 1.154 381 F CA 1.148 58.968 58.000 -0.300 0.000 1.401 381 F CB -0.125 38.824 39.000 -0.085 0.000 1.106 381 F HN 0.351 nan 8.300 nan 0.000 0.568 382 M N -0.255 119.215 119.600 -0.217 0.000 2.106 382 M HA -0.261 4.216 4.480 -0.004 0.000 0.259 382 M C 1.623 177.762 176.300 -0.268 0.000 1.068 382 M CA 1.860 56.926 55.300 -0.390 0.000 1.100 382 M CB -0.059 32.025 32.600 -0.860 0.000 1.351 382 M HN 0.021 nan 8.290 nan 0.000 0.404 383 I N -0.119 120.252 120.570 -0.331 0.000 2.852 383 I HA -0.002 4.165 4.170 -0.004 0.000 0.264 383 I C 2.648 178.582 176.117 -0.304 0.000 1.179 383 I CA 1.015 62.153 61.300 -0.270 0.000 1.480 383 I CB -2.164 35.692 38.000 -0.239 0.000 1.111 383 I HN 0.268 nan 8.210 nan 0.000 0.441 384 A N 0.587 123.088 122.820 -0.531 0.000 1.908 384 A HA -0.277 4.040 4.320 -0.004 0.000 0.218 384 A C 2.348 179.832 177.584 -0.167 0.000 1.181 384 A CA 1.922 53.675 52.037 -0.472 0.000 0.627 384 A CB -0.784 17.707 19.000 -0.848 0.000 0.818 384 A HN 0.520 nan 8.150 nan 0.000 0.445 385 Q N -0.257 119.489 119.800 -0.091 0.000 2.124 385 Q HA -0.131 4.207 4.340 -0.004 0.000 0.202 385 Q C 1.934 177.927 176.000 -0.012 0.000 0.977 385 Q CA 1.842 57.648 55.803 0.005 0.000 0.850 385 Q CB -0.188 28.590 28.738 0.067 0.000 0.901 385 Q HN 0.464 nan 8.270 nan 0.000 0.429 386 V N 0.215 120.099 119.914 -0.049 0.000 2.358 386 V HA -0.226 3.892 4.120 -0.004 0.000 0.246 386 V C 2.246 178.321 176.094 -0.032 0.000 1.047 386 V CA 2.101 64.378 62.300 -0.038 0.000 1.035 386 V CB -0.820 30.967 31.823 -0.060 0.000 0.658 386 V HN 0.419 nan 8.190 nan 0.000 0.452 387 T N 0.431 114.954 114.554 -0.052 0.000 2.746 387 T HA -0.162 4.185 4.350 -0.004 0.000 0.267 387 T C 2.079 176.777 174.700 -0.005 0.000 1.039 387 T CA 1.626 63.708 62.100 -0.031 0.000 1.142 387 T CB -0.412 68.429 68.868 -0.045 0.000 0.866 387 T HN 0.570 nan 8.240 nan 0.000 0.444 388 A N 1.461 124.282 122.820 0.002 0.000 1.908 388 A HA 0.078 4.395 4.320 -0.004 0.000 0.218 388 A C 2.643 180.242 177.584 0.025 0.000 1.181 388 A CA 1.960 54.013 52.037 0.026 0.000 0.627 388 A CB -1.130 17.895 19.000 0.042 0.000 0.818 388 A HN 0.516 nan 8.150 nan 0.000 0.445 389 A N -0.234 122.597 122.820 0.019 0.000 1.902 389 A HA 0.157 4.475 4.320 -0.004 0.000 0.217 389 A C 2.505 180.099 177.584 0.018 0.000 1.181 389 A CA 2.106 54.155 52.037 0.021 0.000 0.623 389 A CB -1.003 18.007 19.000 0.018 0.000 0.818 389 A HN 1.081 nan 8.150 nan 0.000 0.443 390 A N -0.180 122.647 122.820 0.011 0.000 1.902 390 A HA -0.054 4.263 4.320 -0.004 0.000 0.217 390 A C 2.180 179.775 177.584 0.018 0.000 1.181 390 A CA 1.524 53.568 52.037 0.012 0.000 0.623 390 A CB -0.591 18.413 19.000 0.006 0.000 0.818 390 A HN 0.478 nan 8.150 nan 0.000 0.443 391 L N -0.949 120.287 121.223 0.021 0.000 2.027 391 L HA -0.178 4.159 4.340 -0.004 0.000 0.206 391 L C 3.137 180.026 176.870 0.031 0.000 1.074 391 L CA 1.096 55.952 54.840 0.026 0.000 0.745 391 L CB -0.676 41.400 42.059 0.029 0.000 0.898 391 L HN 0.447 nan 8.230 nan 0.000 0.433 392 A N -0.510 122.329 122.820 0.032 0.000 1.877 392 A HA -0.251 4.066 4.320 -0.004 0.000 0.216 392 A C 2.560 180.164 177.584 0.034 0.000 1.186 392 A CA 2.113 54.172 52.037 0.036 0.000 0.620 392 A CB -0.772 18.250 19.000 0.038 0.000 0.822 392 A HN 0.404 nan 8.150 nan 0.000 0.443 393 S N -0.621 115.096 115.700 0.029 0.000 2.382 393 S HA -0.220 4.247 4.470 -0.004 0.000 0.228 393 S C 1.892 176.508 174.600 0.027 0.000 1.027 393 S CA 1.658 59.874 58.200 0.026 0.000 0.991 393 S CB -0.440 62.773 63.200 0.021 0.000 0.823 393 S HN 0.620 nan 8.310 nan 0.000 0.469 394 E N 0.558 120.774 120.200 0.027 0.000 2.130 394 E HA -0.170 4.177 4.350 -0.004 0.000 0.196 394 E C 1.567 178.187 176.600 0.033 0.000 0.998 394 E CA 1.268 57.684 56.400 0.027 0.000 0.806 394 E CB -0.193 29.524 29.700 0.027 0.000 0.738 394 E HN 0.509 nan 8.360 nan 0.000 0.459 395 N N 0.498 119.220 118.700 0.038 0.000 2.459 395 N HA -0.089 4.648 4.740 -0.004 0.000 0.181 395 N C 1.243 176.780 175.510 0.045 0.000 1.046 395 N CA 0.669 53.745 53.050 0.044 0.000 0.904 395 N CB 0.076 38.591 38.487 0.047 0.000 0.964 395 N HN 0.194 nan 8.380 nan 0.000 0.444 396 K N 0.587 121.011 120.400 0.040 0.000 2.031 396 K HA 0.059 4.376 4.320 -0.004 0.000 0.205 396 K C 2.005 178.634 176.600 0.048 0.000 1.049 396 K CA 1.159 57.471 56.287 0.042 0.000 0.939 396 K CB -0.106 32.416 32.500 0.036 0.000 0.717 396 K HN 0.071 nan 8.250 nan 0.000 0.438 397 A N 1.683 124.527 122.820 0.039 0.000 1.933 397 A HA -0.108 4.209 4.320 -0.004 0.000 0.218 397 A C 2.122 179.740 177.584 0.058 0.000 1.175 397 A CA 1.205 53.265 52.037 0.038 0.000 0.628 397 A CB -0.660 18.349 19.000 0.015 0.000 0.814 397 A HN 0.164 nan 8.150 nan 0.000 0.444 398 L N 0.542 121.798 121.223 0.055 0.000 2.362 398 L HA -0.122 4.216 4.340 -0.004 0.000 0.219 398 L C 2.652 179.572 176.870 0.083 0.000 1.134 398 L CA 1.242 56.123 54.840 0.068 0.000 0.807 398 L CB -0.228 41.864 42.059 0.055 0.000 0.927 398 L HN 0.605 nan 8.230 nan 0.000 0.447 399 S N -2.250 113.493 115.700 0.073 0.000 2.562 399 S HA -0.137 4.330 4.470 -0.004 0.000 0.221 399 S C 0.829 175.460 174.600 0.051 0.000 0.975 399 S CA -0.262 57.974 58.200 0.059 0.000 0.918 399 S CB -0.597 62.629 63.200 0.045 0.000 0.772 399 S HN 0.477 nan 8.310 nan 0.000 0.531 400 H N 3.909 122.966 119.070 -0.022 0.000 3.034 400 H HA 0.266 4.819 4.556 -0.005 0.000 0.324 400 H C -2.617 172.653 175.328 -0.096 0.000 1.015 400 H CA -0.787 55.224 56.048 -0.063 0.000 1.429 400 H CB 0.406 30.111 29.762 -0.095 0.000 1.429 400 H HN 0.203 nan 8.280 nan 0.000 0.585 401 P HA 0.042 nan 4.420 nan 0.000 0.276 401 P C 0.073 177.254 177.300 -0.198 0.000 1.230 401 P CA 0.061 63.019 63.100 -0.235 0.000 0.776 401 P CB 0.783 32.339 31.700 -0.239 0.000 0.888 402 H N 0.737 119.792 119.070 -0.025 0.000 2.497 402 H HA -0.029 4.524 4.556 -0.005 0.000 0.282 402 H C 1.692 177.014 175.328 -0.010 0.000 1.003 402 H CA 1.430 57.478 56.048 -0.000 0.000 1.307 402 H CB 0.046 29.801 29.762 -0.012 0.000 1.437 402 H HN 0.460 nan 8.280 nan 0.000 0.544 403 S N 1.231 116.985 115.700 0.090 0.000 2.547 403 S HA -0.069 4.398 4.470 -0.004 0.000 0.235 403 S C 1.903 176.533 174.600 0.051 0.000 0.980 403 S CA 0.842 59.081 58.200 0.065 0.000 0.941 403 S CB -0.873 62.359 63.200 0.052 0.000 0.763 403 S HN 0.268 nan 8.310 nan 0.000 0.532 404 V N -1.982 117.943 119.914 0.019 0.000 3.647 404 V HA 0.363 4.481 4.120 -0.004 0.000 0.279 404 V C 0.146 176.260 176.094 0.034 0.000 1.314 404 V CA 0.008 62.322 62.300 0.024 0.000 1.125 404 V CB -0.649 31.164 31.823 -0.016 0.000 0.907 404 V HN 0.254 nan 8.190 nan 0.000 0.434 405 D N 0.272 120.686 120.400 0.023 0.000 2.272 405 D HA 0.693 5.331 4.640 -0.004 0.000 0.247 405 D C -0.558 175.718 176.300 -0.041 0.000 0.990 405 D CA 0.070 54.075 54.000 0.009 0.000 0.931 405 D CB 2.161 42.971 40.800 0.016 0.000 1.195 405 D HN 0.317 nan 8.370 nan 0.000 0.477 406 S N 1.082 116.747 115.700 -0.059 0.000 2.558 406 S HA 0.589 5.056 4.470 -0.004 0.000 0.277 406 S C -2.057 172.503 174.600 -0.067 0.000 1.143 406 S CA -0.710 57.411 58.200 -0.131 0.000 0.865 406 S CB 0.331 63.344 63.200 -0.312 0.000 1.102 406 S HN 0.382 nan 8.310 nan 0.000 0.454 407 L N 3.519 124.700 121.223 -0.069 0.000 2.408 407 L HA 0.582 4.919 4.340 -0.004 0.000 0.268 407 L C -2.458 174.390 176.870 -0.036 0.000 0.986 407 L CA -2.098 52.719 54.840 -0.037 0.000 0.820 407 L CB 2.473 44.514 42.059 -0.029 0.000 1.303 407 L HN 0.470 nan 8.230 nan 0.000 0.411 408 P HA 0.241 nan 4.420 nan 0.000 0.275 408 P C -0.646 176.645 177.300 -0.014 0.000 1.227 408 P CA -0.318 62.780 63.100 -0.004 0.000 0.781 408 P CB 0.987 32.694 31.700 0.012 0.000 0.906 409 T N -2.166 112.377 114.554 -0.018 0.000 2.905 409 T HA 0.443 4.790 4.350 -0.004 0.000 0.283 409 T C -0.320 174.368 174.700 -0.019 0.000 1.031 409 T CA -0.924 61.161 62.100 -0.025 0.000 1.002 409 T CB 0.094 68.938 68.868 -0.040 0.000 1.200 409 T HN 0.213 nan 8.240 nan 0.000 0.560 410 S N 0.521 116.205 115.700 -0.028 0.000 3.231 410 S HA 0.026 4.494 4.470 -0.004 0.000 0.334 410 S C 1.073 175.665 174.600 -0.013 0.000 0.910 410 S CA 0.640 58.824 58.200 -0.027 0.000 1.342 410 S CB -2.178 61.001 63.200 -0.035 0.000 0.950 410 S HN 2.339 nan 8.310 nan 0.000 0.526 411 A N 1.670 124.484 122.820 -0.010 0.000 2.783 411 A HA -0.318 3.999 4.320 -0.004 0.000 0.292 411 A C 1.134 178.720 177.584 0.002 0.000 1.495 411 A CA 1.253 53.288 52.037 -0.003 0.000 0.787 411 A CB -1.885 17.113 19.000 -0.002 0.000 1.017 411 A HN 1.288 nan 8.150 nan 0.000 0.516 412 N N -3.233 115.470 118.700 0.004 0.000 2.878 412 N HA -0.268 4.469 4.740 -0.004 0.000 0.247 412 N C 0.801 176.322 175.510 0.018 0.000 1.021 412 N CA 1.543 54.600 53.050 0.013 0.000 0.873 412 N CB -0.638 37.857 38.487 0.013 0.000 1.128 412 N HN 0.803 nan 8.380 nan 0.000 0.571 413 Q N 0.809 120.617 119.800 0.014 0.000 2.089 413 Q HA 0.141 4.479 4.340 -0.004 0.000 0.195 413 Q C 0.392 176.413 176.000 0.034 0.000 0.963 413 Q CA 0.993 56.808 55.803 0.021 0.000 0.834 413 Q CB 0.151 28.898 28.738 0.016 0.000 0.906 413 Q HN 0.334 nan 8.270 nan 0.000 0.452 414 E N 2.091 122.307 120.200 0.026 0.000 1.999 414 E HA -0.042 4.305 4.350 -0.004 0.000 0.296 414 E C -0.434 176.189 176.600 0.038 0.000 1.187 414 E CA -0.013 56.405 56.400 0.030 0.000 1.229 414 E CB 0.048 29.748 29.700 0.001 0.000 1.131 414 E HN 0.382 nan 8.360 nan 0.000 0.478 415 D N -0.093 120.350 120.400 0.072 0.000 2.349 415 D HA -0.072 4.565 4.640 -0.004 0.000 0.214 415 D C 0.329 176.716 176.300 0.144 0.000 1.063 415 D CA 0.218 54.265 54.000 0.079 0.000 0.847 415 D CB 0.250 41.092 40.800 0.069 0.000 0.933 415 D HN 0.253 nan 8.370 nan 0.000 0.513 416 H N 0.047 119.159 119.070 0.070 0.000 2.947 416 H HA 0.456 5.010 4.556 -0.004 0.000 0.354 416 H C -1.322 174.091 175.328 0.142 0.000 1.085 416 H CA -0.688 55.428 56.048 0.113 0.000 1.253 416 H CB 2.331 32.176 29.762 0.138 0.000 1.757 416 H HN -0.072 nan 8.280 nan 0.000 0.523 417 V N 2.056 121.728 119.914 -0.404 0.000 3.158 417 V HA 0.520 4.637 4.120 -0.004 0.000 0.311 417 V C 0.777 176.633 176.094 -0.396 0.000 1.181 417 V CA -0.002 62.053 62.300 -0.409 0.000 1.054 417 V CB 1.513 33.174 31.823 -0.270 0.000 1.085 417 V HN 0.784 nan 8.190 nan 0.000 0.446 418 S N 0.111 115.611 115.700 -0.332 0.000 2.475 418 S HA 0.095 4.562 4.470 -0.004 0.000 0.224 418 S C 1.156 175.726 174.600 -0.050 0.000 1.042 418 S CA 0.802 58.962 58.200 -0.066 0.000 0.935 418 S CB -0.337 62.853 63.200 -0.017 0.000 0.801 418 S HN 1.242 nan 8.310 nan 0.000 0.509 419 M N 0.361 119.910 119.600 -0.085 0.000 2.653 419 M HA -0.201 4.277 4.480 -0.004 0.000 0.203 419 M C 1.163 177.439 176.300 -0.040 0.000 0.502 419 M CA 0.740 56.015 55.300 -0.042 0.000 0.601 419 M CB -2.752 29.863 32.600 0.025 0.000 2.228 419 M HN 0.601 nan 8.290 nan 0.000 0.711 420 A N -0.478 122.310 122.820 -0.054 0.000 1.902 420 A HA -0.047 4.270 4.320 -0.004 0.000 0.217 420 A C -0.222 177.316 177.584 -0.077 0.000 1.181 420 A CA 1.920 53.926 52.037 -0.053 0.000 0.623 420 A CB -1.152 17.819 19.000 -0.049 0.000 0.818 420 A HN 0.450 nan 8.150 nan 0.000 0.443 421 P HA -0.125 nan 4.420 nan 0.000 0.215 421 P C 1.757 179.038 177.300 -0.032 0.000 1.153 421 P CA 1.935 65.013 63.100 -0.037 0.000 0.853 421 P CB -0.114 31.540 31.700 -0.077 0.000 0.788 422 A N 0.058 122.770 122.820 -0.179 0.000 1.902 422 A HA -0.135 4.183 4.320 -0.004 0.000 0.217 422 A C 2.339 179.540 177.584 -0.639 0.000 1.181 422 A CA 2.198 53.974 52.037 -0.436 0.000 0.623 422 A CB -1.653 17.045 19.000 -0.505 0.000 0.818 422 A HN 0.188 nan 8.150 nan 0.000 0.443 423 A N -0.483 122.080 122.820 -0.427 0.000 1.883 423 A HA 0.068 4.386 4.320 -0.004 0.000 0.217 423 A C 2.439 179.907 177.584 -0.194 0.000 1.186 423 A CA 2.130 54.029 52.037 -0.230 0.000 0.624 423 A CB -1.450 17.529 19.000 -0.036 0.000 0.822 423 A HN 0.749 nan 8.150 nan 0.000 0.444 424 G N 0.091 108.802 108.800 -0.148 0.000 2.404 424 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.215 424 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.215 424 G C 1.623 176.243 174.900 -0.467 0.000 1.174 424 G CA 1.335 46.364 45.100 -0.117 0.000 0.780 424 G HN 0.737 nan 8.290 nan 0.000 0.537 425 K N 1.239 121.199 120.400 -0.733 0.000 2.097 425 K HA -0.162 4.156 4.320 -0.004 0.000 0.206 425 K C 2.438 178.350 176.600 -1.147 0.000 1.049 425 K CA 1.619 56.901 56.287 -1.674 0.000 0.933 425 K CB -0.206 31.542 32.500 -1.254 0.000 0.717 425 K HN 0.287 nan 8.250 nan 0.000 0.442 426 R N 1.292 121.448 120.500 -0.573 0.000 2.193 426 R HA -0.016 4.321 4.340 -0.004 0.000 0.229 426 R C 1.978 178.170 176.300 -0.181 0.000 1.110 426 R CA 1.368 57.292 56.100 -0.294 0.000 0.988 426 R CB -1.156 29.076 30.300 -0.113 0.000 0.871 426 R HN 0.273 nan 8.270 nan 0.000 0.458 427 L N -0.597 120.504 121.223 -0.205 0.000 2.191 427 L HA -0.086 4.251 4.340 -0.004 0.000 0.212 427 L C 1.780 178.789 176.870 0.232 0.000 1.103 427 L CA 0.844 55.699 54.840 0.024 0.000 0.769 427 L CB -0.577 41.526 42.059 0.074 0.000 0.908 427 L HN 0.231 nan 8.230 nan 0.000 0.438 428 W N 0.366 121.735 121.300 0.116 0.000 2.381 428 W HA -0.116 4.540 4.660 -0.006 0.000 0.301 428 W C 2.462 179.035 176.519 0.089 0.000 1.205 428 W CA 0.540 58.009 57.345 0.207 0.000 1.285 428 W CB -0.945 28.621 29.460 0.176 0.000 1.133 428 W HN 0.266 nan 8.180 nan 0.000 0.521 429 E N 0.044 120.377 120.200 0.223 0.000 2.107 429 E HA -0.130 4.217 4.350 -0.004 0.000 0.191 429 E C 2.141 178.794 176.600 0.090 0.000 0.982 429 E CA 0.863 57.337 56.400 0.124 0.000 0.809 429 E CB -0.219 29.524 29.700 0.072 0.000 0.756 429 E HN 0.174 nan 8.360 nan 0.000 0.459 430 M N 0.141 119.794 119.600 0.088 0.000 2.149 430 M HA -0.185 4.293 4.480 -0.004 0.000 0.261 430 M C 2.369 178.718 176.300 0.081 0.000 1.064 430 M CA 1.542 56.889 55.300 0.077 0.000 1.102 430 M CB -0.178 32.467 32.600 0.076 0.000 1.369 430 M HN 0.119 nan 8.290 nan 0.000 0.408 431 A N 0.127 123.013 122.820 0.110 0.000 1.930 431 A HA -0.147 4.171 4.320 -0.004 0.000 0.217 431 A C 1.899 179.470 177.584 -0.020 0.000 1.175 431 A CA 1.481 53.554 52.037 0.059 0.000 0.627 431 A CB -0.566 18.483 19.000 0.082 0.000 0.815 431 A HN 0.519 nan 8.150 nan 0.000 0.443 432 E N 0.099 120.292 120.200 -0.013 0.000 2.110 432 E HA -0.183 4.164 4.350 -0.004 0.000 0.193 432 E C 1.700 178.304 176.600 0.008 0.000 0.988 432 E CA 1.125 57.512 56.400 -0.022 0.000 0.804 432 E CB -0.182 29.520 29.700 0.004 0.000 0.745 432 E HN 0.549 nan 8.360 nan 0.000 0.458 433 N N 0.273 118.989 118.700 0.028 0.000 2.058 433 N HA -0.106 4.631 4.740 -0.004 0.000 0.191 433 N C 1.920 177.451 175.510 0.034 0.000 1.037 433 N CA 1.463 54.532 53.050 0.033 0.000 0.848 433 N CB -0.740 37.770 38.487 0.039 0.000 1.021 433 N HN 0.055 nan 8.380 nan 0.000 0.422 434 T N 1.028 115.605 114.554 0.038 0.000 2.833 434 T HA -0.096 4.252 4.350 -0.004 0.000 0.269 434 T C 1.943 176.663 174.700 0.033 0.000 1.054 434 T CA 0.794 62.919 62.100 0.041 0.000 1.135 434 T CB 0.070 68.969 68.868 0.052 0.000 0.869 434 T HN 0.256 nan 8.240 nan 0.000 0.466 435 R N 0.339 120.849 120.500 0.017 0.000 2.081 435 R HA -0.058 4.279 4.340 -0.004 0.000 0.235 435 R C 2.685 179.010 176.300 0.041 0.000 1.131 435 R CA 1.466 57.574 56.100 0.012 0.000 0.960 435 R CB -0.570 29.715 30.300 -0.026 0.000 0.856 435 R HN 0.435 nan 8.270 nan 0.000 0.436 436 G N -0.158 108.665 108.800 0.039 0.000 2.408 436 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.217 436 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.217 436 G C 1.381 176.324 174.900 0.072 0.000 1.150 436 G CA 0.798 45.931 45.100 0.055 0.000 0.776 436 G HN 0.204 nan 8.290 nan 0.000 0.542 437 V N 1.002 120.954 119.914 0.062 0.000 2.295 437 V HA -0.152 3.965 4.120 -0.004 0.000 0.246 437 V C 2.893 179.042 176.094 0.092 0.000 1.049 437 V CA 1.530 63.872 62.300 0.071 0.000 1.024 437 V CB -0.542 31.316 31.823 0.058 0.000 0.648 437 V HN 0.329 nan 8.190 nan 0.000 0.447 438 L N 0.031 121.302 121.223 0.080 0.000 2.131 438 L HA -0.148 4.189 4.340 -0.004 0.000 0.210 438 L C 2.671 179.642 176.870 0.168 0.000 1.092 438 L CA 1.413 56.303 54.840 0.083 0.000 0.759 438 L CB -0.690 41.382 42.059 0.021 0.000 0.903 438 L HN 0.372 nan 8.230 nan 0.000 0.435 439 A N 0.054 122.988 122.820 0.191 0.000 1.930 439 A HA -0.143 4.174 4.320 -0.004 0.000 0.217 439 A C 2.169 179.926 177.584 0.289 0.000 1.175 439 A CA 1.376 53.595 52.037 0.303 0.000 0.627 439 A CB -0.523 18.610 19.000 0.221 0.000 0.815 439 A HN 0.370 nan 8.150 nan 0.000 0.443 440 I N -0.885 119.816 120.570 0.217 0.000 2.406 440 I HA -0.175 3.992 4.170 -0.004 0.000 0.249 440 I C 2.465 178.742 176.117 0.265 0.000 1.122 440 I CA 1.329 62.772 61.300 0.238 0.000 1.431 440 I CB -0.198 37.901 38.000 0.165 0.000 1.087 440 I HN 0.475 nan 8.210 nan 0.000 0.424 441 E N 0.560 120.888 120.200 0.213 0.000 2.077 441 E HA -0.284 4.063 4.350 -0.004 0.000 0.193 441 E C 2.109 178.868 176.600 0.265 0.000 0.989 441 E CA 1.422 57.936 56.400 0.189 0.000 0.800 441 E CB -0.144 29.636 29.700 0.133 0.000 0.746 441 E HN 0.488 nan 8.360 nan 0.000 0.452 442 W N 1.473 122.819 121.300 0.076 0.000 2.333 442 W HA -0.201 4.456 4.660 -0.005 0.000 0.316 442 W C 1.971 178.547 176.519 0.096 0.000 1.215 442 W CA 1.347 58.732 57.345 0.067 0.000 1.278 442 W CB -0.930 28.563 29.460 0.056 0.000 1.154 442 W HN 0.111 nan 8.180 nan 0.000 0.486 443 L N 0.063 121.453 121.223 0.278 0.000 2.012 443 L HA -0.168 4.169 4.340 -0.004 0.000 0.210 443 L C 2.710 179.733 176.870 0.255 0.000 1.073 443 L CA 1.771 56.746 54.840 0.225 0.000 0.748 443 L CB -1.531 40.738 42.059 0.350 0.000 0.891 443 L HN 0.116 nan 8.230 nan 0.000 0.431 444 G N -0.663 108.259 108.800 0.204 0.000 2.433 444 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.216 444 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.216 444 G C 1.745 176.561 174.900 -0.140 0.000 1.186 444 G CA 0.829 45.801 45.100 -0.213 0.000 0.779 444 G HN 0.475 nan 8.290 nan 0.000 0.543 445 A N -0.237 122.596 122.820 0.022 0.000 1.933 445 A HA -0.061 4.256 4.320 -0.004 0.000 0.218 445 A C 2.583 180.200 177.584 0.055 0.000 1.175 445 A CA 1.835 53.897 52.037 0.042 0.000 0.628 445 A CB -0.934 18.131 19.000 0.108 0.000 0.814 445 A HN 0.436 nan 8.150 nan 0.000 0.444 446 C N -1.335 118.018 119.300 0.088 0.000 2.446 446 C HA -0.062 4.395 4.460 -0.004 0.000 0.277 446 C C 2.829 177.864 174.990 0.075 0.000 1.275 446 C CA 1.291 60.356 59.018 0.078 0.000 1.727 446 C CB -1.024 26.735 27.740 0.032 0.000 2.010 446 C HN 0.793 nan 8.230 nan 0.000 0.486 447 Q N 1.557 121.381 119.800 0.041 0.000 2.077 447 Q HA -0.089 4.248 4.340 -0.004 0.000 0.206 447 Q C 2.155 178.189 176.000 0.058 0.000 0.989 447 Q CA 2.560 58.386 55.803 0.037 0.000 0.853 447 Q CB -0.818 27.832 28.738 -0.147 0.000 0.907 447 Q HN 0.566 nan 8.270 nan 0.000 0.418 448 G N 0.577 109.352 108.800 -0.041 0.000 2.459 448 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.217 448 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.217 448 G C 1.401 176.313 174.900 0.020 0.000 1.183 448 G CA 1.019 46.100 45.100 -0.031 0.000 0.776 448 G HN 0.390 nan 8.290 nan 0.000 0.552 449 L N 0.396 121.639 121.223 0.034 0.000 2.083 449 L HA -0.071 4.266 4.340 -0.004 0.000 0.209 449 L C 2.499 179.395 176.870 0.042 0.000 1.083 449 L CA 1.019 55.882 54.840 0.038 0.000 0.752 449 L CB -0.369 41.719 42.059 0.048 0.000 0.899 449 L HN 0.110 nan 8.230 nan 0.000 0.433 450 D N 0.218 120.664 120.400 0.075 0.000 2.149 450 D HA -0.167 4.471 4.640 -0.004 0.000 0.198 450 D C 2.196 178.495 176.300 -0.002 0.000 0.990 450 D CA 1.202 55.224 54.000 0.037 0.000 0.839 450 D CB -0.112 40.759 40.800 0.117 0.000 0.948 450 D HN 0.305 nan 8.370 nan 0.000 0.460 451 L N 0.166 121.435 121.223 0.075 0.000 2.552 451 L HA 0.021 4.358 4.340 -0.004 0.000 0.227 451 L C 0.673 177.552 176.870 0.016 0.000 1.146 451 L CA 0.432 55.306 54.840 0.056 0.000 0.858 451 L CB -0.024 42.085 42.059 0.084 0.000 0.969 451 L HN -0.180 nan 8.230 nan 0.000 0.451 452 R N 1.203 121.709 120.500 0.009 0.000 3.436 452 R HA 0.160 4.497 4.340 -0.004 0.000 0.247 452 R C -0.353 175.946 176.300 -0.002 0.000 1.434 452 R CA -0.659 55.442 56.100 0.003 0.000 1.543 452 R CB 0.131 30.433 30.300 0.003 0.000 1.289 452 R HN -0.081 nan 8.270 nan 0.000 0.664 453 K N 1.094 121.488 120.400 -0.010 0.000 2.441 453 K HA -0.113 4.205 4.320 -0.004 0.000 0.273 453 K C 1.321 177.913 176.600 -0.014 0.000 1.090 453 K CA 1.111 57.384 56.287 -0.023 0.000 1.158 453 K CB -0.009 32.477 32.500 -0.022 0.000 0.847 453 K HN 0.886 nan 8.250 nan 0.000 0.483 454 G N 2.228 111.016 108.800 -0.019 0.000 2.212 454 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.266 454 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.266 454 G C 0.229 175.130 174.900 0.001 0.000 0.978 454 G CA 0.234 45.328 45.100 -0.011 0.000 0.632 454 G HN 0.478 nan 8.290 nan 0.000 0.537 455 L N 0.654 121.881 121.223 0.007 0.000 2.371 455 L HA 0.459 4.796 4.340 -0.004 0.000 0.272 455 L C 0.746 177.628 176.870 0.021 0.000 1.124 455 L CA -0.298 54.553 54.840 0.017 0.000 0.816 455 L CB 0.841 42.915 42.059 0.025 0.000 1.129 455 L HN 0.014 nan 8.230 nan 0.000 0.448 456 K N 1.252 121.667 120.400 0.024 0.000 2.156 456 K HA 0.452 4.769 4.320 -0.004 0.000 0.250 456 K C -0.106 176.513 176.600 0.032 0.000 0.955 456 K CA -0.617 55.686 56.287 0.026 0.000 0.855 456 K CB 2.369 34.882 32.500 0.022 0.000 1.101 456 K HN 0.574 nan 8.250 nan 0.000 0.434 457 T N -0.384 114.191 114.554 0.035 0.000 2.920 457 T HA 0.169 4.516 4.350 -0.004 0.000 0.292 457 T C 0.487 175.204 174.700 0.029 0.000 1.093 457 T CA -0.379 61.743 62.100 0.037 0.000 0.944 457 T CB 0.469 69.362 68.868 0.042 0.000 1.605 457 T HN 0.690 nan 8.240 nan 0.000 0.590 458 S N 0.242 115.956 115.700 0.024 0.000 2.596 458 S HA 0.431 4.898 4.470 -0.004 0.000 0.260 458 S C 1.690 176.298 174.600 0.014 0.000 1.336 458 S CA -0.124 58.085 58.200 0.015 0.000 0.993 458 S CB 0.112 63.315 63.200 0.004 0.000 0.923 458 S HN 0.962 nan 8.310 nan 0.000 0.567 459 A N 1.406 124.231 122.820 0.008 0.000 1.883 459 A HA -0.099 4.219 4.320 -0.004 0.000 0.217 459 A C 2.233 179.822 177.584 0.008 0.000 1.186 459 A CA 1.732 53.775 52.037 0.009 0.000 0.624 459 A CB -0.929 18.074 19.000 0.005 0.000 0.822 459 A HN 0.901 nan 8.150 nan 0.000 0.444 460 K N -0.589 119.810 120.400 -0.003 0.000 2.155 460 K HA 0.081 4.399 4.320 -0.004 0.000 0.203 460 K C 1.759 178.359 176.600 -0.000 0.000 1.052 460 K CA 1.059 57.340 56.287 -0.009 0.000 0.948 460 K CB -0.258 32.223 32.500 -0.032 0.000 0.728 460 K HN 0.473 nan 8.250 nan 0.000 0.448 461 L N 0.778 122.004 121.223 0.005 0.000 2.240 461 L HA -0.092 4.245 4.340 -0.004 0.000 0.211 461 L C 2.133 179.036 176.870 0.056 0.000 1.106 461 L CA 0.630 55.485 54.840 0.026 0.000 0.793 461 L CB -0.222 41.851 42.059 0.023 0.000 0.927 461 L HN 0.118 nan 8.230 nan 0.000 0.446 462 E N 0.807 121.033 120.200 0.044 0.000 2.110 462 E HA -0.187 4.161 4.350 -0.004 0.000 0.193 462 E C 2.087 178.724 176.600 0.062 0.000 0.988 462 E CA 1.028 57.459 56.400 0.051 0.000 0.804 462 E CB -0.003 29.719 29.700 0.035 0.000 0.745 462 E HN 0.452 nan 8.360 nan 0.000 0.458 463 K N 0.457 120.889 120.400 0.053 0.000 2.097 463 K HA -0.071 4.246 4.320 -0.004 0.000 0.206 463 K C 2.127 178.794 176.600 0.112 0.000 1.049 463 K CA 1.074 57.399 56.287 0.063 0.000 0.933 463 K CB -0.101 32.423 32.500 0.040 0.000 0.717 463 K HN 0.029 nan 8.250 nan 0.000 0.442 464 A N 1.562 124.457 122.820 0.126 0.000 1.933 464 A HA -0.177 4.140 4.320 -0.004 0.000 0.218 464 A C 2.041 179.868 177.584 0.405 0.000 1.175 464 A CA 1.285 53.464 52.037 0.237 0.000 0.628 464 A CB -0.341 18.738 19.000 0.132 0.000 0.814 464 A HN 0.210 nan 8.150 nan 0.000 0.444 465 R N -0.704 119.942 120.500 0.244 0.000 2.066 465 R HA -0.138 4.199 4.340 -0.004 0.000 0.232 465 R C 2.493 178.851 176.300 0.097 0.000 1.131 465 R CA 1.736 57.940 56.100 0.173 0.000 0.955 465 R CB -0.334 30.031 30.300 0.108 0.000 0.851 465 R HN 0.689 nan 8.270 nan 0.000 0.432 466 Q N 0.042 119.897 119.800 0.092 0.000 2.079 466 Q HA -0.093 4.245 4.340 -0.004 0.000 0.200 466 Q C 2.220 178.251 176.000 0.052 0.000 0.974 466 Q CA 1.467 57.302 55.803 0.053 0.000 0.840 466 Q CB -0.158 28.608 28.738 0.047 0.000 0.898 466 Q HN 0.352 nan 8.270 nan 0.000 0.430 467 A N 1.144 124.036 122.820 0.120 0.000 1.917 467 A HA -0.203 4.115 4.320 -0.004 0.000 0.219 467 A C 2.010 179.609 177.584 0.025 0.000 1.182 467 A CA 1.149 53.273 52.037 0.145 0.000 0.633 467 A CB -0.711 18.473 19.000 0.307 0.000 0.819 467 A HN 0.394 nan 8.150 nan 0.000 0.448 468 L N -1.311 119.846 121.223 -0.111 0.000 2.044 468 L HA -0.086 4.251 4.340 -0.004 0.000 0.205 468 L C 2.534 179.231 176.870 -0.288 0.000 1.075 468 L CA 1.242 55.762 54.840 -0.533 0.000 0.747 468 L CB -0.438 41.007 42.059 -1.024 0.000 0.903 468 L HN 0.312 nan 8.230 nan 0.000 0.435 469 R N 0.001 120.405 120.500 -0.161 0.000 2.237 469 R HA -0.096 4.242 4.340 -0.004 0.000 0.219 469 R C 2.303 178.559 176.300 -0.073 0.000 1.080 469 R CA 1.195 57.237 56.100 -0.097 0.000 0.995 469 R CB -0.658 29.616 30.300 -0.043 0.000 0.875 469 R HN 0.549 nan 8.270 nan 0.000 0.462 470 S N 0.351 116.013 115.700 -0.063 0.000 2.469 470 S HA -0.092 4.376 4.470 -0.004 0.000 0.238 470 S C 1.268 175.831 174.600 -0.061 0.000 0.998 470 S CA 0.970 59.144 58.200 -0.044 0.000 0.957 470 S CB 0.145 63.332 63.200 -0.021 0.000 0.764 470 S HN 0.251 nan 8.310 nan 0.000 0.514 471 E N -0.201 119.942 120.200 -0.096 0.000 2.414 471 E HA 0.335 4.682 4.350 -0.004 0.000 0.208 471 E C -0.387 176.141 176.600 -0.119 0.000 0.820 471 E CA 0.243 56.583 56.400 -0.100 0.000 1.143 471 E CB 1.219 30.853 29.700 -0.109 0.000 1.150 471 E HN 0.375 nan 8.360 nan 0.000 0.540 472 V N 1.573 121.399 119.914 -0.148 0.000 2.588 472 V HA 0.618 4.736 4.120 -0.004 0.000 0.304 472 V C -0.135 175.893 176.094 -0.111 0.000 1.042 472 V CA -0.969 61.241 62.300 -0.150 0.000 0.877 472 V CB 1.642 33.347 31.823 -0.197 0.000 0.996 472 V HN 0.183 nan 8.190 nan 0.000 0.425 473 A N 2.417 125.185 122.820 -0.086 0.000 2.272 473 A HA 0.585 4.903 4.320 -0.004 0.000 0.275 473 A C -0.022 177.574 177.584 0.020 0.000 1.096 473 A CA -0.277 51.742 52.037 -0.029 0.000 0.822 473 A CB 0.011 18.990 19.000 -0.034 0.000 1.088 473 A HN 1.053 nan 8.150 nan 0.000 0.495 474 H N -0.825 118.238 119.070 -0.011 0.000 3.038 474 H HA 0.048 4.601 4.556 -0.004 0.000 0.338 474 H C -0.876 174.499 175.328 0.078 0.000 1.041 474 H CA 1.235 57.311 56.048 0.047 0.000 1.394 474 H CB -0.012 29.771 29.762 0.035 0.000 1.357 474 H HN 0.506 nan 8.280 nan 0.000 0.600 475 Y N 6.062 126.073 120.300 -0.483 0.000 2.504 475 Y HA 0.072 4.619 4.550 -0.005 0.000 0.351 475 Y C 0.482 176.270 175.900 -0.187 0.000 0.988 475 Y CA -0.119 57.826 58.100 -0.257 0.000 1.239 475 Y CB 0.219 38.615 38.460 -0.105 0.000 1.128 475 Y HN 0.801 nan 8.280 nan 0.000 0.525 476 D N 5.245 125.565 120.400 -0.133 0.000 2.296 476 D HA -0.010 4.627 4.640 -0.004 0.000 0.248 476 D C 0.131 176.421 176.300 -0.016 0.000 1.162 476 D CA 0.259 54.271 54.000 0.019 0.000 0.956 476 D CB 0.032 40.843 40.800 0.020 0.000 1.011 476 D HN 0.472 nan 8.370 nan 0.000 0.404 477 R N 1.167 121.590 120.500 -0.130 0.000 2.532 477 R HA 0.317 4.654 4.340 -0.004 0.000 0.272 477 R C -0.454 175.701 176.300 -0.242 0.000 1.032 477 R CA -0.718 55.330 56.100 -0.087 0.000 1.089 477 R CB 0.503 30.769 30.300 -0.057 0.000 1.098 477 R HN -0.150 nan 8.270 nan 0.000 0.526 478 D N 1.343 121.738 120.400 -0.007 0.000 2.525 478 D HA -0.007 4.630 4.640 -0.004 0.000 0.235 478 D C 0.147 176.393 176.300 -0.091 0.000 1.137 478 D CA 0.772 54.823 54.000 0.085 0.000 0.868 478 D CB 0.555 41.458 40.800 0.172 0.000 1.180 478 D HN 0.592 nan 8.370 nan 0.000 0.465 479 R N 0.965 121.414 120.500 -0.084 0.000 2.795 479 R HA 0.394 4.732 4.340 -0.004 0.000 0.268 479 R C -0.717 175.679 176.300 0.161 0.000 1.041 479 R CA -0.937 55.134 56.100 -0.049 0.000 0.927 479 R CB 0.327 30.494 30.300 -0.222 0.000 1.235 479 R HN 0.147 nan 8.270 nan 0.000 0.463 480 F N 2.155 122.090 119.950 -0.024 0.000 2.546 480 F HA 0.124 4.648 4.527 -0.005 0.000 0.388 480 F C 0.246 176.067 175.800 0.036 0.000 1.051 480 F CA -1.025 56.989 58.000 0.024 0.000 1.130 480 F CB -0.046 38.950 39.000 -0.007 0.000 1.044 480 F HN 0.621 nan 8.300 nan 0.000 0.553 481 F N 5.031 125.038 119.950 0.094 0.000 2.219 481 F HA 0.036 4.560 4.527 -0.005 0.000 0.294 481 F C 2.204 177.822 175.800 -0.302 0.000 1.086 481 F CA 1.627 59.572 58.000 -0.092 0.000 1.330 481 F CB -0.522 38.427 39.000 -0.086 0.000 1.047 481 F HN 0.575 nan 8.300 nan 0.000 0.495 482 A N 0.930 123.643 122.820 -0.178 0.000 1.903 482 A HA -0.228 4.090 4.320 -0.004 0.000 0.219 482 A C -0.252 177.122 177.584 -0.349 0.000 1.191 482 A CA 2.329 54.219 52.037 -0.245 0.000 0.638 482 A CB -2.237 16.611 19.000 -0.254 0.000 0.823 482 A HN 0.312 nan 8.150 nan 0.000 0.451 483 P HA -0.107 nan 4.420 nan 0.000 0.218 483 P C 0.419 177.567 177.300 -0.252 0.000 1.148 483 P CA 1.436 64.311 63.100 -0.375 0.000 0.822 483 P CB -0.123 31.330 31.700 -0.411 0.000 0.784 484 D N -0.694 119.534 120.400 -0.287 0.000 2.117 484 D HA -0.107 4.531 4.640 -0.004 0.000 0.197 484 D C 1.985 178.200 176.300 -0.141 0.000 0.987 484 D CA 0.989 54.839 54.000 -0.249 0.000 0.829 484 D CB -0.716 39.843 40.800 -0.403 0.000 0.961 484 D HN 0.200 nan 8.370 nan 0.000 0.460 485 I N 1.002 121.531 120.570 -0.069 0.000 2.226 485 I HA -0.216 3.952 4.170 -0.004 0.000 0.245 485 I C 2.216 178.329 176.117 -0.008 0.000 1.100 485 I CA 1.040 62.349 61.300 0.015 0.000 1.374 485 I CB -0.233 37.808 38.000 0.068 0.000 1.057 485 I HN 0.002 nan 8.210 nan 0.000 0.413 486 E N 1.013 121.184 120.200 -0.048 0.000 2.085 486 E HA -0.248 4.099 4.350 -0.004 0.000 0.194 486 E C 2.176 178.756 176.600 -0.032 0.000 0.994 486 E CA 1.269 57.645 56.400 -0.039 0.000 0.801 486 E CB -0.030 29.631 29.700 -0.065 0.000 0.743 486 E HN 0.448 nan 8.360 nan 0.000 0.453 487 K N 0.367 120.730 120.400 -0.062 0.000 2.057 487 K HA -0.077 4.240 4.320 -0.004 0.000 0.206 487 K C 2.172 178.753 176.600 -0.032 0.000 1.050 487 K CA 0.985 57.237 56.287 -0.059 0.000 0.935 487 K CB -0.089 32.352 32.500 -0.099 0.000 0.715 487 K HN 0.039 nan 8.250 nan 0.000 0.439 488 A N 0.994 123.792 122.820 -0.037 0.000 1.902 488 A HA -0.124 4.193 4.320 -0.004 0.000 0.217 488 A C 2.351 180.050 177.584 0.191 0.000 1.181 488 A CA 1.368 53.428 52.037 0.039 0.000 0.623 488 A CB -0.676 18.349 19.000 0.042 0.000 0.818 488 A HN 0.065 nan 8.150 nan 0.000 0.443 489 V N 0.179 120.160 119.914 0.112 0.000 2.287 489 V HA -0.269 3.848 4.120 -0.004 0.000 0.248 489 V C 2.636 178.779 176.094 0.081 0.000 1.053 489 V CA 2.519 64.876 62.300 0.096 0.000 1.027 489 V CB -0.715 31.136 31.823 0.047 0.000 0.646 489 V HN 0.771 nan 8.190 nan 0.000 0.447 490 E N 0.309 120.543 120.200 0.055 0.000 2.110 490 E HA -0.199 4.148 4.350 -0.004 0.000 0.193 490 E C 2.012 178.655 176.600 0.072 0.000 0.988 490 E CA 1.467 57.891 56.400 0.039 0.000 0.804 490 E CB -0.396 29.314 29.700 0.015 0.000 0.745 490 E HN 0.565 nan 8.360 nan 0.000 0.458 491 L N -0.125 121.175 121.223 0.128 0.000 2.017 491 L HA -0.174 4.163 4.340 -0.004 0.000 0.208 491 L C 2.571 179.557 176.870 0.193 0.000 1.073 491 L CA 1.133 56.093 54.840 0.200 0.000 0.745 491 L CB -0.443 41.817 42.059 0.336 0.000 0.894 491 L HN 0.241 nan 8.230 nan 0.000 0.432 492 L N -0.511 120.840 121.223 0.213 0.000 2.042 492 L HA -0.229 4.109 4.340 -0.004 0.000 0.210 492 L C 2.837 179.723 176.870 0.027 0.000 1.076 492 L CA 1.261 56.142 54.840 0.068 0.000 0.749 492 L CB -0.728 41.364 42.059 0.056 0.000 0.893 492 L HN 0.273 nan 8.230 nan 0.000 0.432 493 A N -0.204 122.632 122.820 0.028 0.000 2.019 493 A HA -0.199 4.118 4.320 -0.004 0.000 0.219 493 A C 2.124 179.718 177.584 0.017 0.000 1.164 493 A CA 1.442 53.478 52.037 -0.002 0.000 0.644 493 A CB -0.318 18.670 19.000 -0.020 0.000 0.805 493 A HN 0.343 nan 8.150 nan 0.000 0.449 494 K N -1.103 119.314 120.400 0.030 0.000 2.487 494 K HA 0.191 4.508 4.320 -0.004 0.000 0.192 494 K C 0.913 177.527 176.600 0.024 0.000 1.027 494 K CA 0.416 56.718 56.287 0.026 0.000 1.054 494 K CB -0.191 32.328 32.500 0.033 0.000 0.824 494 K HN 0.635 nan 8.250 nan 0.000 0.510 495 G N 1.398 110.210 108.800 0.020 0.000 2.198 495 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.260 495 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.260 495 G C 0.765 175.662 174.900 -0.006 0.000 1.025 495 G CA 0.588 45.691 45.100 0.005 0.000 0.769 495 G HN 0.292 nan 8.290 nan 0.000 0.507 496 S N -0.682 115.026 115.700 0.013 0.000 2.400 496 S HA -0.029 4.439 4.470 -0.004 0.000 0.232 496 S C 2.190 176.777 174.600 -0.022 0.000 1.025 496 S CA 1.414 59.639 58.200 0.041 0.000 0.993 496 S CB -0.092 63.206 63.200 0.164 0.000 0.808 496 S HN 0.549 nan 8.310 nan 0.000 0.478 497 L N 0.684 121.830 121.223 -0.127 0.000 2.585 497 L HA 0.080 4.418 4.340 -0.004 0.000 0.226 497 L C 2.154 178.950 176.870 -0.122 0.000 1.113 497 L CA 0.366 55.098 54.840 -0.179 0.000 0.876 497 L CB -0.663 41.172 42.059 -0.372 0.000 1.072 497 L HN 0.231 nan 8.230 nan 0.000 0.468 498 T N 0.323 114.829 114.554 -0.080 0.000 2.720 498 T HA -0.171 4.176 4.350 -0.004 0.000 0.268 498 T C 1.923 176.597 174.700 -0.043 0.000 1.037 498 T CA 1.656 63.725 62.100 -0.051 0.000 1.144 498 T CB -0.422 68.433 68.868 -0.022 0.000 0.864 498 T HN 0.554 nan 8.240 nan 0.000 0.444 499 G N 1.073 109.851 108.800 -0.036 0.000 2.501 499 G HA2 -0.098 3.859 3.960 -0.004 0.000 0.220 499 G HA3 -0.098 3.859 3.960 -0.004 0.000 0.220 499 G C 1.401 176.279 174.900 -0.036 0.000 1.114 499 G CA 0.326 45.409 45.100 -0.028 0.000 0.757 499 G HN 0.458 nan 8.290 nan 0.000 0.559 500 L N -0.719 120.472 121.223 -0.054 0.000 2.217 500 L HA 0.172 4.509 4.340 -0.004 0.000 0.211 500 L C 1.290 178.117 176.870 -0.071 0.000 1.107 500 L CA -0.287 54.515 54.840 -0.063 0.000 0.783 500 L CB -0.333 41.674 42.059 -0.086 0.000 0.919 500 L HN 0.169 nan 8.230 nan 0.000 0.442 501 L N 1.054 122.234 121.223 -0.072 0.000 2.426 501 L HA 0.246 4.583 4.340 -0.004 0.000 0.271 501 L C -1.994 174.853 176.870 -0.038 0.000 1.169 501 L CA -1.387 53.412 54.840 -0.067 0.000 0.836 501 L CB 0.146 42.180 42.059 -0.043 0.000 1.112 501 L HN -0.223 nan 8.230 nan 0.000 0.465 502 P HA 0.074 nan 4.420 nan 0.000 0.262 502 P C -0.975 176.319 177.300 -0.009 0.000 1.182 502 P CA 0.041 63.129 63.100 -0.020 0.000 0.761 502 P CB 0.410 32.099 31.700 -0.018 0.000 0.795 503 A N 3.418 126.233 122.820 -0.009 0.000 2.425 503 A HA 0.463 4.780 4.320 -0.004 0.000 0.242 503 A C 1.503 179.085 177.584 -0.004 0.000 1.077 503 A CA 0.426 52.459 52.037 -0.006 0.000 0.781 503 A CB -0.908 18.088 19.000 -0.007 0.000 1.020 503 A HN 0.885 nan 8.150 nan 0.000 0.494 504 G N 0.052 108.848 108.800 -0.005 0.000 2.153 504 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.252 504 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.252 504 G C 0.598 175.492 174.900 -0.010 0.000 0.994 504 G CA 0.561 45.657 45.100 -0.006 0.000 0.698 504 G HN 1.170 nan 8.290 nan 0.000 0.521 505 V N -0.312 119.595 119.914 -0.011 0.000 2.492 505 V HA 0.315 4.433 4.120 -0.004 0.000 0.241 505 V C 1.654 177.709 176.094 -0.066 0.000 1.041 505 V CA 1.337 63.622 62.300 -0.024 0.000 1.057 505 V CB -0.038 31.789 31.823 0.006 0.000 0.711 505 V HN 0.359 nan 8.190 nan 0.000 0.468 506 L N 0.639 121.830 121.223 -0.054 0.000 2.334 506 L HA 0.278 4.616 4.340 -0.004 0.000 0.277 506 L C -1.373 175.479 176.870 -0.030 0.000 1.075 506 L CA -1.602 53.193 54.840 -0.075 0.000 0.804 506 L CB 1.120 43.153 42.059 -0.043 0.000 1.174 506 L HN 0.025 nan 8.230 nan 0.000 0.438 507 P HA -0.218 nan 4.420 nan 0.000 0.217 507 P C 1.084 178.404 177.300 0.034 0.000 1.158 507 P CA 1.442 64.543 63.100 0.002 0.000 0.887 507 P CB 0.193 31.896 31.700 0.004 0.000 0.792 508 S N -3.149 112.590 115.700 0.066 0.000 2.572 508 S HA 0.250 4.718 4.470 -0.004 0.000 0.228 508 S C 0.398 175.004 174.600 0.011 0.000 0.963 508 S CA -0.315 57.927 58.200 0.069 0.000 0.939 508 S CB -0.750 62.548 63.200 0.165 0.000 0.804 508 S HN -0.070 nan 8.310 nan 0.000 0.480 509 L N 0.000 121.228 121.223 0.008 0.000 2.949 509 L HA 0.000 4.337 4.340 -0.004 0.000 0.249 509 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 509 L CB 0.000 42.061 42.059 0.003 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502