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 4req_1_C DATA FIRST_RESID 3 DATA SEQUENCE TLPRFDSVDL GNAPVPADAA RRFEELAAKA GTGEAWETAE QIPVGTLFNE DATA SEQUENCE DVYKDMDWLD TYAGIPPFVH GPYATMYAFR PWTIRQYAGF STAKESNAFY DATA SEQUENCE RRNLAAGQKG LSVAFDLPTH RGYDSDNPRV AGDVGMAGVA IDSIYDMREL DATA SEQUENCE FAGIPLDQMS VSMTMNGAVL PILALYVVTA EEQGVKPEQL AGTIQNDILK DATA SEQUENCE EFMVRNTYIY PPQPSMRIIS EIFAYTSANM PKWNSISISG YHMQEAGATA DATA SEQUENCE DIEMAYTLAD GVDYIRAGES VGLNVDQFAP RLSFFWGIGM NFFMEVAKLR DATA SEQUENCE AARMLWAKLV HQFGPKNPKS MSLRTHSQTS GWSLTAQDVY NNVVRTCIEA DATA SEQUENCE MAATQGHTQS LHTNSLDEAI ALPTDFSARI ARNTQLFLQQ ESGTTRVIDP DATA SEQUENCE WSGSAYVEEL TWDLARKAWG HIQEVEKVGG MAKAIEKGIP KMRIEEAAAR DATA SEQUENCE TQARIDSGRQ PLIGVNKYRL EHEPPLDVLK VDNSTVLAEQ KAKLVKLRAE DATA SEQUENCE RDPEKVKAAL DKITWAAGNP DDKDPDRNLL KLCIDAGRAM ATVGEMSDAL DATA SEQUENCE EKVFGRYTAQ IRTISGVYSK EVKNTPEVEE ARELVEEFEQ AEGRRPRILL DATA SEQUENCE AKMGQDGHDR GQKVIATAYA DLGFDVDVGP LFQTPEETAR QAVEADVHVV DATA SEQUENCE GVSSLAGGHL TLVPALRKEL DKLGRPDILI TVGGVIPEQD FDELRKDGAV DATA SEQUENCE EIYTPGTVIP ESAISLVKKL RASLDA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.678 174.700 -0.037 0.000 1.109 3 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 3 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 4 L N 2.609 123.812 121.223 -0.034 0.000 3.472 4 L HA -0.056 4.284 4.340 -0.000 0.000 0.596 4 L C -2.350 174.478 176.870 -0.069 0.000 1.310 4 L CA -0.022 54.801 54.840 -0.028 0.000 0.966 4 L CB -1.502 40.550 42.059 -0.013 0.000 1.626 4 L HN 0.462 nan 8.230 nan 0.000 0.865 5 P HA 0.156 nan 4.420 nan 0.000 0.268 5 P C 0.064 177.174 177.300 -0.317 0.000 1.208 5 P CA 0.171 63.103 63.100 -0.279 0.000 0.777 5 P CB 0.506 31.913 31.700 -0.488 0.000 0.875 6 R N 1.658 121.958 120.500 -0.332 0.000 2.393 6 R HA 0.267 4.607 4.340 -0.000 0.000 0.315 6 R C 0.350 176.471 176.300 -0.298 0.000 0.952 6 R CA -0.563 55.419 56.100 -0.197 0.000 0.842 6 R CB 0.418 30.670 30.300 -0.080 0.000 1.163 6 R HN 0.444 nan 8.270 nan 0.000 0.450 7 F N 1.180 121.133 119.950 0.004 0.000 2.802 7 F HA -0.064 4.463 4.527 -0.000 0.000 0.300 7 F C 1.909 177.711 175.800 0.004 0.000 1.168 7 F CA 0.598 58.600 58.000 0.004 0.000 1.433 7 F CB 0.157 39.160 39.000 0.005 0.000 1.115 7 F HN 0.508 nan 8.300 nan 0.000 0.582 8 D N -0.806 119.665 120.400 0.119 0.000 2.392 8 D HA -0.112 4.528 4.640 -0.000 0.000 0.228 8 D C 1.321 177.651 176.300 0.050 0.000 1.003 8 D CA 1.259 55.306 54.000 0.079 0.000 0.917 8 D CB -0.233 40.598 40.800 0.051 0.000 0.890 8 D HN 0.405 nan 8.370 nan 0.000 0.532 9 S N -0.694 115.026 115.700 0.034 0.000 2.589 9 S HA 0.162 4.632 4.470 -0.000 0.000 0.235 9 S C 0.669 175.286 174.600 0.028 0.000 1.051 9 S CA -0.485 57.725 58.200 0.018 0.000 0.978 9 S CB 0.353 63.548 63.200 -0.009 0.000 0.929 9 S HN 0.030 nan 8.310 nan 0.000 0.523 10 V N 4.012 123.959 119.914 0.055 0.000 2.508 10 V HA 0.282 4.402 4.120 -0.000 0.000 0.281 10 V C -0.369 175.795 176.094 0.117 0.000 1.041 10 V CA -0.302 62.054 62.300 0.094 0.000 1.016 10 V CB 0.547 32.490 31.823 0.201 0.000 0.984 10 V HN 0.316 nan 8.190 nan 0.000 0.478 11 D N 2.815 123.265 120.400 0.082 0.000 2.264 11 D HA 0.219 4.859 4.640 -0.000 0.000 0.249 11 D C 0.760 177.104 176.300 0.072 0.000 1.070 11 D CA -0.532 53.507 54.000 0.065 0.000 0.912 11 D CB 1.716 42.541 40.800 0.042 0.000 1.193 11 D HN 0.341 nan 8.370 nan 0.000 0.427 12 L N 1.731 122.984 121.223 0.050 0.000 2.027 12 L HA 0.104 4.444 4.340 -0.000 0.000 0.206 12 L C 1.007 177.896 176.870 0.032 0.000 1.074 12 L CA 2.241 57.102 54.840 0.036 0.000 0.745 12 L CB -0.856 41.214 42.059 0.019 0.000 0.898 12 L HN 0.743 nan 8.230 nan 0.000 0.433 13 G N -0.721 108.095 108.800 0.027 0.000 2.566 13 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.599 13 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.599 13 G C -0.044 174.866 174.900 0.016 0.000 1.292 13 G CA 0.022 45.136 45.100 0.023 0.000 0.922 13 G HN 0.447 nan 8.290 nan 0.000 0.514 14 N N 0.555 119.263 118.700 0.014 0.000 2.389 14 N HA 0.418 5.158 4.740 -0.000 0.000 0.260 14 N C 0.918 176.433 175.510 0.010 0.000 1.191 14 N CA 0.709 53.765 53.050 0.010 0.000 0.885 14 N CB -0.134 38.359 38.487 0.008 0.000 1.162 14 N HN 2.060 nan 8.380 nan 0.000 0.512 15 A N 1.922 124.749 122.820 0.011 0.000 2.046 15 A HA -0.147 4.173 4.320 -0.000 0.000 0.265 15 A C -2.170 175.420 177.584 0.010 0.000 1.343 15 A CA -0.236 51.807 52.037 0.010 0.000 0.749 15 A CB -1.280 17.725 19.000 0.008 0.000 1.171 15 A HN 0.423 nan 8.150 nan 0.000 0.316 16 P HA 0.425 nan 4.420 nan 0.000 0.271 16 P C -0.349 176.957 177.300 0.009 0.000 1.216 16 P CA -0.153 62.952 63.100 0.010 0.000 0.776 16 P CB 1.101 32.808 31.700 0.011 0.000 0.881 17 V N 5.095 125.014 119.914 0.007 0.000 2.370 17 V HA 0.261 4.381 4.120 -0.000 0.000 0.283 17 V C -1.614 174.484 176.094 0.008 0.000 1.023 17 V CA -1.429 60.875 62.300 0.007 0.000 0.857 17 V CB 0.715 32.539 31.823 0.001 0.000 0.985 17 V HN 0.640 nan 8.190 nan 0.000 0.443 18 P HA 0.222 nan 4.420 nan 0.000 0.270 18 P C 0.614 177.920 177.300 0.011 0.000 1.223 18 P CA -0.339 62.768 63.100 0.012 0.000 0.785 18 P CB 0.978 32.686 31.700 0.015 0.000 0.923 19 A N 1.469 124.295 122.820 0.010 0.000 2.119 19 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 19 A C 1.389 178.980 177.584 0.011 0.000 1.153 19 A CA 1.431 53.473 52.037 0.008 0.000 0.692 19 A CB -0.814 18.190 19.000 0.006 0.000 0.799 19 A HN 0.671 nan 8.150 nan 0.000 0.458 20 D N -0.639 119.769 120.400 0.015 0.000 2.339 20 D HA 0.282 4.922 4.640 -0.000 0.000 0.217 20 D C 1.494 177.812 176.300 0.029 0.000 1.050 20 D CA 0.745 54.756 54.000 0.018 0.000 0.856 20 D CB -0.385 40.424 40.800 0.016 0.000 0.922 20 D HN 0.252 nan 8.370 nan 0.000 0.518 21 A N 1.753 124.591 122.820 0.031 0.000 1.859 21 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 21 A C 2.488 180.115 177.584 0.071 0.000 1.209 21 A CA 2.959 55.023 52.037 0.044 0.000 0.639 21 A CB -1.356 17.659 19.000 0.025 0.000 0.835 21 A HN 0.368 nan 8.150 nan 0.000 0.450 22 A N 0.754 123.605 122.820 0.051 0.000 1.863 22 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 22 A C 2.229 179.875 177.584 0.104 0.000 1.233 22 A CA 3.132 55.212 52.037 0.072 0.000 0.655 22 A CB -0.915 18.105 19.000 0.033 0.000 0.839 22 A HN 0.784 nan 8.150 nan 0.000 0.454 23 R N -0.947 119.588 120.500 0.059 0.000 2.127 23 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 23 R C 2.195 178.517 176.300 0.037 0.000 1.134 23 R CA 1.663 57.787 56.100 0.040 0.000 0.975 23 R CB -0.419 29.893 30.300 0.019 0.000 0.865 23 R HN 0.472 nan 8.270 nan 0.000 0.447 24 R N -0.157 120.372 120.500 0.049 0.000 2.092 24 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 24 R C 2.019 178.353 176.300 0.057 0.000 1.119 24 R CA 1.662 57.786 56.100 0.039 0.000 0.970 24 R CB -0.376 29.950 30.300 0.044 0.000 0.864 24 R HN 0.276 nan 8.270 nan 0.000 0.440 25 F N 2.044 121.982 119.950 -0.020 0.000 2.075 25 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 25 F C 2.039 177.821 175.800 -0.029 0.000 1.113 25 F CA 1.509 59.494 58.000 -0.025 0.000 1.218 25 F CB -0.173 38.808 39.000 -0.031 0.000 0.984 25 F HN -0.102 nan 8.300 nan 0.000 0.472 26 E N 0.749 120.881 120.200 -0.112 0.000 2.065 26 E HA -0.298 4.052 4.350 -0.000 0.000 0.201 26 E C 2.411 178.862 176.600 -0.248 0.000 1.016 26 E CA 2.089 58.356 56.400 -0.221 0.000 0.818 26 E CB -1.122 28.557 29.700 -0.036 0.000 0.749 26 E HN 0.705 nan 8.360 nan 0.000 0.453 27 E N 1.351 121.463 120.200 -0.147 0.000 2.058 27 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 27 E C 2.326 178.829 176.600 -0.163 0.000 0.997 27 E CA 1.464 57.790 56.400 -0.122 0.000 0.801 27 E CB -0.986 28.673 29.700 -0.068 0.000 0.746 27 E HN 0.242 nan 8.360 nan 0.000 0.450 28 L N -0.094 121.014 121.223 -0.192 0.000 2.012 28 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 28 L C 3.145 179.849 176.870 -0.278 0.000 1.073 28 L CA 1.455 56.179 54.840 -0.193 0.000 0.748 28 L CB -0.438 41.534 42.059 -0.146 0.000 0.891 28 L HN 0.473 nan 8.230 nan 0.000 0.431 29 A N -0.119 122.393 122.820 -0.513 0.000 1.865 29 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 29 A C 2.518 179.940 177.584 -0.269 0.000 1.191 29 A CA 1.978 53.709 52.037 -0.511 0.000 0.623 29 A CB -0.944 17.551 19.000 -0.842 0.000 0.826 29 A HN 0.418 nan 8.150 nan 0.000 0.444 30 A N -0.694 121.987 122.820 -0.232 0.000 1.940 30 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 30 A C 2.156 179.676 177.584 -0.106 0.000 1.176 30 A CA 2.025 53.978 52.037 -0.139 0.000 0.631 30 A CB -0.420 18.510 19.000 -0.116 0.000 0.814 30 A HN 0.546 nan 8.150 nan 0.000 0.446 31 K N -0.608 119.728 120.400 -0.108 0.000 2.155 31 K HA 0.044 4.363 4.320 -0.000 0.000 0.203 31 K C 2.108 178.666 176.600 -0.071 0.000 1.052 31 K CA 0.885 57.125 56.287 -0.078 0.000 0.948 31 K CB -0.218 32.238 32.500 -0.073 0.000 0.728 31 K HN 0.395 nan 8.250 nan 0.000 0.448 32 A N 0.101 122.868 122.820 -0.089 0.000 1.929 32 A HA 0.057 4.376 4.320 -0.000 0.000 0.216 32 A C 1.508 179.059 177.584 -0.056 0.000 1.176 32 A CA 1.640 53.635 52.037 -0.069 0.000 0.628 32 A CB -0.289 18.663 19.000 -0.080 0.000 0.816 32 A HN 0.508 nan 8.150 nan 0.000 0.444 33 G N -2.657 106.105 108.800 -0.063 0.000 2.234 33 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.153 33 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.153 33 G C 0.192 175.067 174.900 -0.043 0.000 1.013 33 G CA 0.051 45.124 45.100 -0.045 0.000 0.712 33 G HN 0.508 nan 8.290 nan 0.000 0.491 34 T N 2.111 116.629 114.554 -0.059 0.000 2.738 34 T HA 0.436 4.786 4.350 -0.000 0.000 0.277 34 T C 1.432 176.114 174.700 -0.031 0.000 0.981 34 T CA 0.978 63.050 62.100 -0.047 0.000 1.211 34 T CB 0.987 69.811 68.868 -0.073 0.000 0.932 34 T HN 0.843 nan 8.240 nan 0.000 0.522 35 G N 2.751 111.545 108.800 -0.010 0.000 2.783 35 G HA2 0.304 4.264 3.960 -0.000 0.000 0.182 35 G HA3 0.304 4.264 3.960 -0.000 0.000 0.182 35 G C 0.148 175.054 174.900 0.011 0.000 1.516 35 G CA -0.499 44.601 45.100 -0.000 0.000 1.079 35 G HN 0.523 nan 8.290 nan 0.000 0.573 36 E N -0.114 120.101 120.200 0.025 0.000 2.369 36 E HA 0.426 4.776 4.350 -0.000 0.000 0.255 36 E C 0.665 177.303 176.600 0.063 0.000 1.172 36 E CA -0.284 56.137 56.400 0.034 0.000 0.932 36 E CB 1.187 30.908 29.700 0.035 0.000 1.040 36 E HN 0.491 nan 8.360 nan 0.000 0.454 37 A N 1.344 124.202 122.820 0.065 0.000 2.483 37 A HA -0.031 4.289 4.320 -0.000 0.000 0.238 37 A C -0.395 177.298 177.584 0.182 0.000 1.070 37 A CA -0.089 52.011 52.037 0.105 0.000 0.770 37 A CB -0.136 18.906 19.000 0.070 0.000 1.008 37 A HN 0.574 nan 8.150 nan 0.000 0.497 38 W N 2.151 123.475 121.300 0.039 0.000 2.308 38 W HA 0.427 5.087 4.660 -0.000 0.000 0.324 38 W C -0.102 176.451 176.519 0.057 0.000 1.387 38 W CA -0.420 56.954 57.345 0.048 0.000 1.250 38 W CB 0.250 29.746 29.460 0.061 0.000 1.257 38 W HN 0.678 nan 8.180 nan 0.000 0.554 39 E N 4.591 124.778 120.200 -0.022 0.000 2.081 39 E HA 0.244 4.594 4.350 -0.000 0.000 0.281 39 E C 0.208 176.533 176.600 -0.459 0.000 0.986 39 E CA -0.295 55.985 56.400 -0.200 0.000 0.796 39 E CB 0.523 30.191 29.700 -0.052 0.000 1.085 39 E HN 0.398 nan 8.360 nan 0.000 0.398 40 T N 0.977 115.109 114.554 -0.704 0.000 2.788 40 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 40 T C 1.420 175.951 174.700 -0.282 0.000 1.007 40 T CA -0.202 61.482 62.100 -0.693 0.000 1.005 40 T CB 1.497 69.927 68.868 -0.730 0.000 1.012 40 T HN 0.397 nan 8.240 nan 0.000 0.530 41 A N 0.324 123.050 122.820 -0.156 0.000 2.032 41 A HA -0.108 4.212 4.320 -0.000 0.000 0.221 41 A C 2.080 179.600 177.584 -0.105 0.000 1.165 41 A CA 1.737 53.720 52.037 -0.089 0.000 0.645 41 A CB -1.012 17.959 19.000 -0.048 0.000 0.807 41 A HN 0.893 nan 8.150 nan 0.000 0.453 42 E N -1.156 118.967 120.200 -0.128 0.000 2.358 42 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 42 E C 0.314 176.852 176.600 -0.102 0.000 1.010 42 E CA 0.517 56.847 56.400 -0.116 0.000 0.856 42 E CB -0.154 29.463 29.700 -0.138 0.000 0.795 42 E HN 0.645 nan 8.360 nan 0.000 0.504 43 Q N -0.637 119.090 119.800 -0.121 0.000 2.470 43 Q HA -0.177 4.163 4.340 -0.000 0.000 0.290 43 Q C -1.030 174.908 176.000 -0.103 0.000 1.353 43 Q CA 0.275 56.017 55.803 -0.102 0.000 0.787 43 Q CB -1.636 27.062 28.738 -0.065 0.000 1.158 43 Q HN 0.304 nan 8.270 nan 0.000 0.426 44 I N 1.523 122.009 120.570 -0.140 0.000 2.382 44 I HA 0.336 4.505 4.170 -0.000 0.000 0.285 44 I C -2.079 173.958 176.117 -0.132 0.000 1.007 44 I CA -2.291 58.941 61.300 -0.114 0.000 1.142 44 I CB 1.259 39.189 38.000 -0.116 0.000 1.289 44 I HN -0.126 nan 8.210 nan 0.000 0.453 45 P HA 0.100 nan 4.420 nan 0.000 0.271 45 P C -0.578 176.770 177.300 0.080 0.000 1.220 45 P CA -0.069 63.023 63.100 -0.014 0.000 0.768 45 P CB 1.187 32.896 31.700 0.015 0.000 0.848 46 V N 4.307 124.292 119.914 0.117 0.000 2.349 46 V HA 0.465 4.585 4.120 -0.000 0.000 0.284 46 V C 1.007 177.278 176.094 0.295 0.000 1.014 46 V CA -0.327 62.177 62.300 0.340 0.000 0.826 46 V CB 1.288 33.349 31.823 0.397 0.000 1.009 46 V HN 0.737 nan 8.190 nan 0.000 0.431 47 G N 2.654 111.530 108.800 0.127 0.000 2.588 47 G HA2 0.344 4.304 3.960 -0.000 0.000 0.278 47 G HA3 0.344 4.304 3.960 -0.000 0.000 0.278 47 G C 1.096 175.953 174.900 -0.071 0.000 1.307 47 G CA 0.466 45.521 45.100 -0.075 0.000 1.016 47 G HN 0.758 nan 8.290 nan 0.000 0.503 48 T N -2.843 111.669 114.554 -0.070 0.000 3.129 48 T HA 0.304 4.654 4.350 -0.000 0.000 0.251 48 T C 0.259 174.928 174.700 -0.051 0.000 1.117 48 T CA 0.410 62.501 62.100 -0.014 0.000 1.034 48 T CB -0.209 68.702 68.868 0.072 0.000 0.968 48 T HN 0.542 nan 8.240 nan 0.000 0.526 49 L N 0.000 121.086 121.223 -0.229 0.000 2.611 49 L HA 0.634 4.974 4.340 -0.000 0.000 0.260 49 L C -2.199 174.417 176.870 -0.423 0.000 0.924 49 L CA -0.928 53.760 54.840 -0.254 0.000 0.901 49 L CB 1.583 43.383 42.059 -0.433 0.000 1.369 49 L HN 0.053 nan 8.230 nan 0.000 0.415 50 F N 3.317 123.166 119.950 -0.167 0.000 2.480 50 F HA 0.660 5.187 4.527 -0.000 0.000 0.329 50 F C 0.371 176.077 175.800 -0.158 0.000 1.091 50 F CA -0.223 57.705 58.000 -0.120 0.000 0.972 50 F CB 2.098 41.077 39.000 -0.034 0.000 1.150 50 F HN 0.562 nan 8.300 nan 0.000 0.467 51 N N -0.122 118.538 118.700 -0.067 0.000 3.038 51 N HA 0.174 4.914 4.740 -0.000 0.000 0.307 51 N C 0.455 175.796 175.510 -0.283 0.000 1.441 51 N CA -0.673 52.291 53.050 -0.144 0.000 0.772 51 N CB 0.902 39.295 38.487 -0.156 0.000 1.651 51 N HN 0.556 nan 8.380 nan 0.000 0.593 52 E N 0.407 120.439 120.200 -0.280 0.000 2.396 52 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 52 E C -0.054 176.344 176.600 -0.337 0.000 1.023 52 E CA 1.272 57.441 56.400 -0.386 0.000 0.857 52 E CB -0.371 29.323 29.700 -0.010 0.000 0.775 52 E HN 0.683 nan 8.360 nan 0.000 0.525 53 D N 1.837 122.103 120.400 -0.224 0.000 2.269 53 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 53 D C 2.153 178.369 176.300 -0.141 0.000 0.963 53 D CA 1.469 55.389 54.000 -0.133 0.000 0.864 53 D CB -0.728 40.021 40.800 -0.085 0.000 0.936 53 D HN 0.280 nan 8.370 nan 0.000 0.505 54 V N -1.490 118.288 119.914 -0.227 0.000 2.515 54 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 54 V C 1.953 177.952 176.094 -0.158 0.000 1.058 54 V CA 0.916 63.133 62.300 -0.138 0.000 1.064 54 V CB -1.371 30.398 31.823 -0.090 0.000 0.675 54 V HN -0.012 nan 8.190 nan 0.000 0.461 55 Y N 1.160 121.379 120.300 -0.136 0.000 2.403 55 Y HA -0.012 4.538 4.550 -0.000 0.000 0.291 55 Y C 2.533 178.247 175.900 -0.310 0.000 1.143 55 Y CA 0.786 58.728 58.100 -0.264 0.000 1.257 55 Y CB -1.054 37.277 38.460 -0.215 0.000 0.984 55 Y HN 0.296 nan 8.280 nan 0.000 0.550 56 K N 0.508 120.859 120.400 -0.082 0.000 2.023 56 K HA -0.260 4.059 4.320 -0.000 0.000 0.227 56 K C 0.717 177.204 176.600 -0.187 0.000 1.054 56 K CA 2.356 58.581 56.287 -0.103 0.000 0.977 56 K CB -0.283 32.187 32.500 -0.050 0.000 0.733 56 K HN 0.310 nan 8.250 nan 0.000 0.451 57 D N 0.057 120.307 120.400 -0.250 0.000 2.328 57 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 57 D C 0.140 175.956 176.300 -0.806 0.000 1.066 57 D CA 0.404 54.196 54.000 -0.346 0.000 0.861 57 D CB 0.054 40.834 40.800 -0.033 0.000 0.912 57 D HN 0.286 nan 8.370 nan 0.000 0.521 58 M N 1.416 120.456 119.600 -0.933 0.000 2.146 58 M HA 0.081 4.561 4.480 -0.000 0.000 0.357 58 M C 0.721 176.447 176.300 -0.955 0.000 1.261 58 M CA -0.313 54.156 55.300 -1.386 0.000 1.106 58 M CB 1.275 32.860 32.600 -1.692 0.000 1.612 58 M HN -0.227 nan 8.290 nan 0.000 0.470 59 D N 1.556 121.555 120.400 -0.668 0.000 2.369 59 D HA -0.050 4.589 4.640 -0.000 0.000 0.211 59 D C 1.080 177.244 176.300 -0.225 0.000 1.077 59 D CA 0.065 53.866 54.000 -0.332 0.000 0.842 59 D CB -0.152 40.571 40.800 -0.129 0.000 0.947 59 D HN 0.783 nan 8.370 nan 0.000 0.509 60 W N 0.278 121.454 121.300 -0.208 0.000 3.211 60 W HA 0.389 5.049 4.660 -0.000 0.000 0.292 60 W C 0.975 177.378 176.519 -0.193 0.000 1.268 60 W CA -0.465 56.764 57.345 -0.194 0.000 1.702 60 W CB -0.553 28.785 29.460 -0.203 0.000 1.092 60 W HN -0.195 nan 8.180 nan 0.000 0.643 61 L N 1.460 122.310 121.223 -0.622 0.000 2.450 61 L HA -0.135 4.205 4.340 -0.000 0.000 0.225 61 L C 0.973 177.696 176.870 -0.244 0.000 1.145 61 L CA 1.441 56.019 54.840 -0.436 0.000 0.801 61 L CB -0.547 41.154 42.059 -0.597 0.000 0.924 61 L HN 0.027 nan 8.230 nan 0.000 0.447 62 D N -0.291 119.985 120.400 -0.207 0.000 2.895 62 D HA 0.091 4.731 4.640 -0.000 0.000 0.350 62 D C 0.266 176.406 176.300 -0.267 0.000 1.389 62 D CA -0.052 53.816 54.000 -0.220 0.000 0.812 62 D CB 0.306 41.002 40.800 -0.174 0.000 1.164 62 D HN 0.098 nan 8.370 nan 0.000 0.455 63 T N -2.660 111.782 114.554 -0.187 0.000 2.948 63 T HA 0.575 4.925 4.350 -0.000 0.000 0.285 63 T C -0.107 174.390 174.700 -0.337 0.000 1.019 63 T CA -0.603 61.393 62.100 -0.173 0.000 1.013 63 T CB 1.302 70.157 68.868 -0.022 0.000 1.117 63 T HN -0.077 nan 8.240 nan 0.000 0.533 64 Y N 0.015 120.418 120.300 0.171 0.000 2.409 64 Y HA 0.621 5.171 4.550 -0.000 0.000 0.339 64 Y C 0.765 176.794 175.900 0.217 0.000 1.033 64 Y CA -1.102 57.088 58.100 0.149 0.000 1.094 64 Y CB 1.315 39.800 38.460 0.042 0.000 1.210 64 Y HN 1.045 nan 8.280 nan 0.000 0.456 65 A N 1.257 124.284 122.820 0.345 0.000 2.386 65 A HA 0.469 4.789 4.320 -0.000 0.000 0.248 65 A C 1.290 179.037 177.584 0.272 0.000 1.082 65 A CA 0.421 52.648 52.037 0.316 0.000 0.789 65 A CB -0.709 18.453 19.000 0.270 0.000 1.025 65 A HN 1.569 nan 8.150 nan 0.000 0.490 66 G N -0.197 108.804 108.800 0.335 0.000 2.162 66 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 66 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 66 G C -0.062 174.992 174.900 0.256 0.000 0.976 66 G CA 0.651 45.973 45.100 0.371 0.000 0.655 66 G HN 0.945 nan 8.290 nan 0.000 0.533 67 I N 0.598 121.124 120.570 -0.074 0.000 2.619 67 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 67 I C -2.406 173.177 176.117 -0.890 0.000 1.100 67 I CA -2.692 58.406 61.300 -0.337 0.000 1.043 67 I CB 2.612 40.555 38.000 -0.095 0.000 1.239 67 I HN -0.218 nan 8.210 nan 0.000 0.420 68 P HA 0.017 nan 4.420 nan 0.000 0.265 68 P C -2.139 174.873 177.300 -0.480 0.000 1.187 68 P CA -0.626 61.879 63.100 -0.992 0.000 0.766 68 P CB -0.121 31.273 31.700 -0.511 0.000 0.820 69 P HA 0.183 nan 4.420 nan 0.000 0.243 69 P C -0.462 176.782 177.300 -0.093 0.000 1.672 69 P CA -0.556 62.405 63.100 -0.233 0.000 1.000 69 P CB -0.518 31.110 31.700 -0.119 0.000 1.562 70 F N -1.780 118.144 119.950 -0.044 0.000 2.978 70 F HA -0.223 4.304 4.527 -0.000 0.000 0.248 70 F C 1.869 177.605 175.800 -0.108 0.000 0.994 70 F CA 0.423 58.398 58.000 -0.042 0.000 0.849 70 F CB -2.441 36.547 39.000 -0.020 0.000 0.737 70 F HN -0.006 nan 8.300 nan 0.000 0.800 71 V N 0.100 119.946 119.914 -0.113 0.000 2.407 71 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 71 V C 2.304 178.230 176.094 -0.280 0.000 1.055 71 V CA 2.494 64.617 62.300 -0.296 0.000 1.049 71 V CB -0.255 31.271 31.823 -0.494 0.000 0.662 71 V HN 0.556 nan 8.190 nan 0.000 0.455 72 H N 0.053 119.139 119.070 0.027 0.000 2.539 72 H HA 0.455 5.011 4.556 -0.000 0.000 0.267 72 H C 0.900 176.294 175.328 0.109 0.000 0.982 72 H CA 0.847 56.911 56.048 0.028 0.000 1.146 72 H CB 0.127 29.914 29.762 0.042 0.000 1.382 72 H HN 0.587 nan 8.280 nan 0.000 0.577 73 G N 0.536 109.456 108.800 0.199 0.000 2.326 73 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.413 73 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.413 73 G C -2.297 172.670 174.900 0.112 0.000 1.444 73 G CA -0.614 44.572 45.100 0.143 0.000 1.002 73 G HN -0.177 nan 8.290 nan 0.000 0.649 74 P HA 0.080 nan 4.420 nan 0.000 0.222 74 P C -0.083 177.096 177.300 -0.202 0.000 1.153 74 P CA 1.078 63.958 63.100 -0.367 0.000 0.798 74 P CB 0.041 31.245 31.700 -0.826 0.000 0.796 75 Y N -1.329 119.063 120.300 0.154 0.000 2.409 75 Y HA 0.614 5.164 4.550 -0.000 0.000 0.339 75 Y C 1.832 177.824 175.900 0.153 0.000 1.033 75 Y CA -1.296 56.888 58.100 0.140 0.000 1.094 75 Y CB 0.180 38.707 38.460 0.112 0.000 1.210 75 Y HN -0.201 nan 8.280 nan 0.000 0.456 76 A N 1.129 124.116 122.820 0.278 0.000 1.917 76 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 76 A C 1.926 179.611 177.584 0.169 0.000 1.182 76 A CA 2.707 54.859 52.037 0.191 0.000 0.633 76 A CB -1.207 17.863 19.000 0.118 0.000 0.819 76 A HN 0.887 nan 8.150 nan 0.000 0.448 77 T N -4.797 109.856 114.554 0.165 0.000 3.044 77 T HA 0.350 4.700 4.350 -0.000 0.000 0.250 77 T C 1.002 175.828 174.700 0.209 0.000 1.081 77 T CA 0.525 62.726 62.100 0.169 0.000 1.040 77 T CB -0.138 68.822 68.868 0.153 0.000 0.962 77 T HN 0.263 nan 8.240 nan 0.000 0.506 78 M N 0.673 120.417 119.600 0.240 0.000 7.319 78 M HA -0.259 4.221 4.480 -0.000 0.000 0.104 78 M C 1.042 177.502 176.300 0.267 0.000 0.480 78 M CA 1.455 56.838 55.300 0.138 0.000 1.311 78 M CB -2.072 30.419 32.600 -0.183 0.000 0.421 78 M HN 0.249 nan 8.290 nan 0.000 0.263 79 Y N 0.126 120.470 120.300 0.073 0.000 2.421 79 Y HA 0.152 4.701 4.550 -0.000 0.000 0.292 79 Y C 2.459 178.406 175.900 0.078 0.000 1.136 79 Y CA 1.281 59.428 58.100 0.079 0.000 1.255 79 Y CB -1.726 36.796 38.460 0.104 0.000 0.991 79 Y HN 0.636 nan 8.280 nan 0.000 0.552 80 A N -0.220 122.753 122.820 0.255 0.000 1.908 80 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 80 A C 2.150 179.855 177.584 0.202 0.000 1.181 80 A CA 1.896 54.045 52.037 0.188 0.000 0.627 80 A CB -1.075 18.024 19.000 0.165 0.000 0.818 80 A HN 0.417 nan 8.150 nan 0.000 0.445 81 F N -1.163 118.836 119.950 0.082 0.000 2.274 81 F HA 0.356 4.883 4.527 -0.000 0.000 0.288 81 F C 0.896 176.715 175.800 0.031 0.000 1.069 81 F CA 0.880 58.908 58.000 0.046 0.000 1.343 81 F CB 0.308 39.332 39.000 0.040 0.000 1.089 81 F HN 0.112 nan 8.300 nan 0.000 0.517 82 R N 0.938 121.432 120.500 -0.009 0.000 2.522 82 R HA 0.296 4.636 4.340 -0.000 0.000 0.273 82 R C -2.990 173.314 176.300 0.006 0.000 1.133 82 R CA -2.010 53.986 56.100 -0.173 0.000 0.969 82 R CB 1.709 31.853 30.300 -0.260 0.000 1.235 82 R HN -0.122 nan 8.270 nan 0.000 0.433 83 P HA 0.071 nan 4.420 nan 0.000 0.272 83 P C -0.606 176.464 177.300 -0.384 0.000 1.240 83 P CA -0.305 62.526 63.100 -0.448 0.000 0.791 83 P CB 0.314 31.557 31.700 -0.761 0.000 0.978 84 W N 0.387 121.351 121.300 -0.558 0.000 2.160 84 W HA 0.259 4.919 4.660 -0.000 0.000 0.352 84 W C -0.579 175.872 176.519 -0.114 0.000 1.288 84 W CA -0.343 56.885 57.345 -0.195 0.000 1.279 84 W CB -1.440 27.909 29.460 -0.186 0.000 1.181 84 W HN 0.147 nan 8.180 nan 0.000 0.593 85 T N 4.101 118.715 114.554 0.101 0.000 2.761 85 T HA 0.233 4.583 4.350 -0.000 0.000 0.296 85 T C 0.310 175.066 174.700 0.093 0.000 0.934 85 T CA -0.368 61.731 62.100 -0.002 0.000 1.091 85 T CB 0.166 69.067 68.868 0.054 0.000 0.896 85 T HN 0.322 nan 8.240 nan 0.000 0.515 86 I N 4.266 124.807 120.570 -0.048 0.000 2.494 86 I HA 0.158 4.328 4.170 -0.000 0.000 0.289 86 I C 0.978 177.145 176.117 0.084 0.000 1.106 86 I CA 0.314 61.655 61.300 0.070 0.000 1.369 86 I CB 0.080 38.061 38.000 -0.032 0.000 1.410 86 I HN 0.384 nan 8.210 nan 0.000 0.523 87 R N 6.579 127.176 120.500 0.161 0.000 2.576 87 R HA 0.220 4.560 4.340 -0.000 0.000 0.283 87 R C -0.997 175.425 176.300 0.204 0.000 1.493 87 R CA -0.682 55.488 56.100 0.117 0.000 1.170 87 R CB 0.823 31.174 30.300 0.084 0.000 1.189 87 R HN 0.518 nan 8.270 nan 0.000 0.542 88 Q N 3.285 123.195 119.800 0.183 0.000 2.294 88 Q HA 0.037 4.377 4.340 -0.000 0.000 0.257 88 Q C -0.773 175.445 176.000 0.363 0.000 0.955 88 Q CA -0.267 55.756 55.803 0.367 0.000 0.936 88 Q CB 1.117 29.948 28.738 0.153 0.000 1.188 88 Q HN 0.425 nan 8.270 nan 0.000 0.420 89 Y N 2.147 122.617 120.300 0.284 0.000 2.526 89 Y HA 0.293 4.843 4.550 -0.000 0.000 0.330 89 Y C -0.424 175.577 175.900 0.168 0.000 1.156 89 Y CA -0.423 57.666 58.100 -0.018 0.000 1.419 89 Y CB 0.293 38.535 38.460 -0.364 0.000 1.250 89 Y HN 0.650 nan 8.280 nan 0.000 0.540 90 A N 3.274 126.098 122.820 0.006 0.000 2.608 90 A HA 0.831 5.151 4.320 -0.000 0.000 0.292 90 A C -0.675 177.017 177.584 0.179 0.000 1.066 90 A CA -0.164 51.999 52.037 0.210 0.000 0.676 90 A CB 1.218 20.559 19.000 0.570 0.000 1.277 90 A HN 1.557 nan 8.150 nan 0.000 0.413 91 G N -0.202 108.731 108.800 0.220 0.000 2.341 91 G HA2 0.701 4.661 3.960 -0.000 0.000 0.300 91 G HA3 0.701 4.661 3.960 -0.000 0.000 0.300 91 G C -1.213 173.758 174.900 0.117 0.000 1.706 91 G CA 0.123 45.247 45.100 0.039 0.000 0.916 91 G HN 2.194 nan 8.290 nan 0.000 0.716 92 F N 0.625 120.502 119.950 -0.121 0.000 2.688 92 F HA 0.845 5.372 4.527 -0.000 0.000 0.308 92 F C 0.557 176.298 175.800 -0.099 0.000 1.117 92 F CA -0.093 57.843 58.000 -0.107 0.000 0.976 92 F CB 1.132 40.051 39.000 -0.136 0.000 1.291 92 F HN 1.635 nan 8.300 nan 0.000 0.439 93 S N 0.750 116.474 115.700 0.040 0.000 4.137 93 S HA -0.244 4.225 4.470 -0.000 0.000 0.550 93 S C 0.437 174.958 174.600 -0.132 0.000 1.887 93 S CA 2.241 60.424 58.200 -0.029 0.000 4.230 93 S CB -1.960 61.265 63.200 0.042 0.000 0.378 93 S HN 2.130 nan 8.310 nan 0.000 0.490 94 T N -0.271 114.167 114.554 -0.193 0.000 2.934 94 T HA 0.817 5.167 4.350 -0.000 0.000 0.283 94 T C 1.242 175.772 174.700 -0.283 0.000 1.005 94 T CA 0.288 62.280 62.100 -0.180 0.000 1.041 94 T CB 1.403 70.192 68.868 -0.131 0.000 1.042 94 T HN 1.353 nan 8.240 nan 0.000 0.505 95 A N 1.289 123.983 122.820 -0.209 0.000 1.908 95 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 95 A C 2.359 179.774 177.584 -0.280 0.000 1.181 95 A CA 1.779 53.670 52.037 -0.243 0.000 0.627 95 A CB -0.902 18.015 19.000 -0.139 0.000 0.818 95 A HN 0.928 nan 8.150 nan 0.000 0.445 96 K N -0.298 119.974 120.400 -0.213 0.000 2.026 96 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 96 K C 2.027 178.486 176.600 -0.235 0.000 1.048 96 K CA 1.882 58.058 56.287 -0.186 0.000 0.929 96 K CB -0.169 32.257 32.500 -0.124 0.000 0.713 96 K HN 0.661 nan 8.250 nan 0.000 0.439 97 E N -0.332 119.694 120.200 -0.291 0.000 2.072 97 E HA -0.141 4.208 4.350 -0.000 0.000 0.191 97 E C 2.099 178.372 176.600 -0.545 0.000 0.985 97 E CA 1.305 57.501 56.400 -0.341 0.000 0.801 97 E CB -0.002 29.471 29.700 -0.380 0.000 0.750 97 E HN 0.133 nan 8.360 nan 0.000 0.452 98 S N 0.967 116.183 115.700 -0.805 0.000 2.353 98 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 98 S C 1.813 175.820 174.600 -0.987 0.000 1.035 98 S CA 1.255 58.903 58.200 -0.920 0.000 1.025 98 S CB -0.459 62.227 63.200 -0.857 0.000 0.902 98 S HN 0.348 nan 8.310 nan 0.000 0.440 99 N N 1.599 119.862 118.700 -0.728 0.000 2.120 99 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 99 N C 1.827 177.200 175.510 -0.229 0.000 1.024 99 N CA 1.474 54.234 53.050 -0.483 0.000 0.852 99 N CB -0.290 38.029 38.487 -0.280 0.000 1.003 99 N HN 0.372 nan 8.380 nan 0.000 0.424 100 A N 0.585 123.311 122.820 -0.157 0.000 1.877 100 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 100 A C 2.062 179.688 177.584 0.070 0.000 1.186 100 A CA 0.977 52.998 52.037 -0.027 0.000 0.620 100 A CB -1.096 17.900 19.000 -0.007 0.000 0.822 100 A HN 0.449 nan 8.150 nan 0.000 0.443 101 F N -0.151 119.751 119.950 -0.079 0.000 2.134 101 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 101 F C 2.129 178.003 175.800 0.123 0.000 1.097 101 F CA 1.318 59.354 58.000 0.061 0.000 1.264 101 F CB -0.538 38.580 39.000 0.196 0.000 1.001 101 F HN 0.327 nan 8.300 nan 0.000 0.479 102 Y N 0.699 120.966 120.300 -0.056 0.000 2.128 102 Y HA -0.188 4.362 4.550 -0.000 0.000 0.284 102 Y C 2.657 178.496 175.900 -0.103 0.000 1.154 102 Y CA 1.379 59.400 58.100 -0.131 0.000 1.149 102 Y CB -1.469 36.949 38.460 -0.069 0.000 0.976 102 Y HN 0.066 nan 8.280 nan 0.000 0.505 103 R N -0.004 120.561 120.500 0.107 0.000 2.073 103 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 103 R C 2.350 178.662 176.300 0.020 0.000 1.134 103 R CA 1.491 57.625 56.100 0.058 0.000 0.952 103 R CB -0.321 30.006 30.300 0.046 0.000 0.850 103 R HN 0.352 nan 8.270 nan 0.000 0.433 104 R N 0.287 120.792 120.500 0.009 0.000 2.092 104 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 104 R C 1.913 178.181 176.300 -0.054 0.000 1.119 104 R CA 1.090 57.190 56.100 -0.001 0.000 0.970 104 R CB -0.292 30.032 30.300 0.040 0.000 0.864 104 R HN 0.249 nan 8.270 nan 0.000 0.440 105 N N 1.048 119.663 118.700 -0.142 0.000 2.120 105 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 105 N C 1.918 177.375 175.510 -0.090 0.000 1.024 105 N CA 1.075 54.017 53.050 -0.181 0.000 0.852 105 N CB -0.246 38.043 38.487 -0.330 0.000 1.003 105 N HN 0.171 nan 8.380 nan 0.000 0.424 106 L N 0.587 121.778 121.223 -0.052 0.000 2.017 106 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 106 L C 2.306 179.162 176.870 -0.024 0.000 1.073 106 L CA 1.155 55.978 54.840 -0.029 0.000 0.745 106 L CB -0.483 41.577 42.059 0.001 0.000 0.894 106 L HN 0.121 nan 8.230 nan 0.000 0.432 107 A N -0.216 122.595 122.820 -0.015 0.000 2.019 107 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 107 A C 2.220 179.796 177.584 -0.015 0.000 1.164 107 A CA 1.499 53.530 52.037 -0.010 0.000 0.644 107 A CB -0.505 18.496 19.000 0.001 0.000 0.805 107 A HN 0.402 nan 8.150 nan 0.000 0.449 108 A N -2.005 120.802 122.820 -0.021 0.000 2.278 108 A HA 0.445 4.765 4.320 -0.000 0.000 0.212 108 A C 1.568 179.136 177.584 -0.027 0.000 1.213 108 A CA 1.104 53.129 52.037 -0.019 0.000 0.840 108 A CB -0.714 18.274 19.000 -0.019 0.000 0.866 108 A HN 1.747 nan 8.150 nan 0.000 0.489 109 G N -1.228 107.550 108.800 -0.037 0.000 2.192 109 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.193 109 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.193 109 G C 0.200 175.065 174.900 -0.058 0.000 0.999 109 G CA 0.155 45.226 45.100 -0.048 0.000 0.659 109 G HN 0.757 nan 8.290 nan 0.000 0.503 110 Q N 0.193 119.961 119.800 -0.054 0.000 2.392 110 Q HA 0.546 4.886 4.340 -0.000 0.000 0.262 110 Q C 1.414 177.379 176.000 -0.059 0.000 1.003 110 Q CA 0.593 56.364 55.803 -0.054 0.000 0.888 110 Q CB 0.864 29.566 28.738 -0.060 0.000 1.260 110 Q HN 0.212 nan 8.270 nan 0.000 0.435 111 K N 2.011 122.374 120.400 -0.062 0.000 2.262 111 K HA 0.277 4.597 4.320 -0.000 0.000 0.200 111 K C -0.054 176.515 176.600 -0.053 0.000 1.058 111 K CA 1.178 57.424 56.287 -0.069 0.000 0.974 111 K CB 0.342 32.782 32.500 -0.100 0.000 0.910 111 K HN 0.624 nan 8.250 nan 0.000 0.484 112 G N 0.300 109.071 108.800 -0.047 0.000 2.498 112 G HA2 0.570 4.530 3.960 -0.000 0.000 0.312 112 G HA3 0.570 4.530 3.960 -0.000 0.000 0.312 112 G C -1.358 173.498 174.900 -0.074 0.000 1.230 112 G CA -0.776 44.291 45.100 -0.054 0.000 0.968 112 G HN 0.104 nan 8.290 nan 0.000 0.481 113 L N 0.279 121.447 121.223 -0.092 0.000 2.375 113 L HA 0.730 5.070 4.340 -0.000 0.000 0.268 113 L C 0.376 177.148 176.870 -0.163 0.000 1.058 113 L CA -0.773 53.964 54.840 -0.171 0.000 0.803 113 L CB 2.059 43.998 42.059 -0.199 0.000 1.212 113 L HN 0.513 nan 8.230 nan 0.000 0.451 114 S N 0.879 116.458 115.700 -0.201 0.000 2.750 114 S HA 0.451 4.921 4.470 -0.000 0.000 0.276 114 S C -1.018 173.544 174.600 -0.064 0.000 1.165 114 S CA -0.564 57.585 58.200 -0.086 0.000 1.047 114 S CB 1.132 64.313 63.200 -0.032 0.000 1.056 114 S HN 0.234 nan 8.310 nan 0.000 0.481 115 V N 4.321 124.196 119.914 -0.065 0.000 2.406 115 V HA 0.696 4.816 4.120 -0.000 0.000 0.272 115 V C 0.692 176.606 176.094 -0.300 0.000 1.043 115 V CA -0.468 61.698 62.300 -0.222 0.000 0.915 115 V CB 0.819 32.431 31.823 -0.352 0.000 0.988 115 V HN 0.972 nan 8.190 nan 0.000 0.466 116 A N 5.833 128.371 122.820 -0.471 0.000 2.274 116 A HA 0.832 5.152 4.320 -0.000 0.000 0.309 116 A C -0.812 176.549 177.584 -0.371 0.000 1.226 116 A CA -0.292 51.449 52.037 -0.494 0.000 0.853 116 A CB 0.165 18.635 19.000 -0.884 0.000 1.146 116 A HN 0.617 nan 8.150 nan 0.000 0.518 117 F N 1.454 121.449 119.950 0.076 0.000 2.458 117 F HA 0.388 4.915 4.527 -0.000 0.000 0.330 117 F C 0.731 176.592 175.800 0.102 0.000 1.082 117 F CA -0.728 57.268 58.000 -0.006 0.000 0.995 117 F CB 1.428 40.276 39.000 -0.254 0.000 1.170 117 F HN 0.735 nan 8.300 nan 0.000 0.478 118 D N 1.141 121.697 120.400 0.260 0.000 2.363 118 D HA 0.033 4.673 4.640 -0.000 0.000 0.240 118 D C 1.045 177.537 176.300 0.320 0.000 1.236 118 D CA -0.192 53.951 54.000 0.239 0.000 0.927 118 D CB 0.553 41.443 40.800 0.151 0.000 1.150 118 D HN 0.507 nan 8.370 nan 0.000 0.458 119 L N -0.093 121.292 121.223 0.269 0.000 2.017 119 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 119 L C -0.577 176.405 176.870 0.186 0.000 1.073 119 L CA 1.281 56.263 54.840 0.236 0.000 0.745 119 L CB -1.626 40.533 42.059 0.166 0.000 0.894 119 L HN 0.368 nan 8.230 nan 0.000 0.432 120 P HA -0.145 nan 4.420 nan 0.000 0.215 120 P C 1.636 179.003 177.300 0.111 0.000 1.157 120 P CA 1.589 64.795 63.100 0.177 0.000 0.868 120 P CB -0.146 31.636 31.700 0.136 0.000 0.788 121 T N -1.396 113.192 114.554 0.057 0.000 2.684 121 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 121 T C 1.661 176.267 174.700 -0.156 0.000 1.036 121 T CA 1.373 63.440 62.100 -0.054 0.000 1.148 121 T CB -1.176 67.664 68.868 -0.046 0.000 0.863 121 T HN 0.230 nan 8.240 nan 0.000 0.436 122 H N 1.474 120.506 119.070 -0.064 0.000 2.289 122 H HA -0.009 4.546 4.556 -0.000 0.000 0.296 122 H C 1.988 177.192 175.328 -0.206 0.000 1.091 122 H CA 1.320 57.297 56.048 -0.119 0.000 1.274 122 H CB -0.045 29.681 29.762 -0.061 0.000 1.364 122 H HN 0.273 nan 8.280 nan 0.000 0.490 123 R N 0.359 120.801 120.500 -0.097 0.000 2.423 123 R HA 0.094 4.434 4.340 -0.000 0.000 0.248 123 R C 0.774 176.735 176.300 -0.565 0.000 1.019 123 R CA 0.453 56.363 56.100 -0.316 0.000 1.119 123 R CB 0.135 30.266 30.300 -0.281 0.000 1.176 123 R HN 0.381 nan 8.270 nan 0.000 0.526 124 G N 1.355 109.902 108.800 -0.422 0.000 2.305 124 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.287 124 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.287 124 G C -0.564 174.074 174.900 -0.436 0.000 1.036 124 G CA 0.315 45.175 45.100 -0.401 0.000 0.887 124 G HN 0.339 nan 8.290 nan 0.000 0.505 125 Y N 0.091 120.346 120.300 -0.074 0.000 2.377 125 Y HA 0.510 5.059 4.550 -0.000 0.000 0.339 125 Y C 0.581 176.460 175.900 -0.036 0.000 1.011 125 Y CA -1.575 56.493 58.100 -0.052 0.000 1.093 125 Y CB 1.253 39.680 38.460 -0.054 0.000 1.201 125 Y HN 0.072 nan 8.280 nan 0.000 0.455 126 D N 0.324 120.809 120.400 0.141 0.000 2.358 126 D HA 0.111 4.751 4.640 -0.000 0.000 0.244 126 D C 0.654 176.998 176.300 0.073 0.000 1.163 126 D CA 0.090 54.134 54.000 0.073 0.000 0.945 126 D CB 1.445 42.272 40.800 0.045 0.000 1.152 126 D HN 0.572 nan 8.370 nan 0.000 0.451 127 S N 0.165 115.894 115.700 0.049 0.000 2.453 127 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 127 S C 1.091 175.706 174.600 0.025 0.000 1.005 127 S CA 0.713 58.936 58.200 0.039 0.000 0.949 127 S CB -0.075 63.146 63.200 0.034 0.000 0.774 127 S HN 0.546 nan 8.310 nan 0.000 0.510 128 D N 0.852 121.266 120.400 0.023 0.000 2.349 128 D HA 0.003 4.643 4.640 -0.000 0.000 0.215 128 D C 0.342 176.647 176.300 0.008 0.000 1.016 128 D CA -0.088 53.921 54.000 0.014 0.000 0.870 128 D CB -0.629 40.180 40.800 0.015 0.000 0.917 128 D HN 0.104 nan 8.370 nan 0.000 0.524 129 N N 1.584 120.291 118.700 0.012 0.000 2.452 129 N HA 0.026 4.766 4.740 -0.000 0.000 0.266 129 N C -1.585 173.901 175.510 -0.041 0.000 1.209 129 N CA -1.313 51.734 53.050 -0.005 0.000 0.929 129 N CB 1.570 40.060 38.487 0.005 0.000 1.063 129 N HN -0.151 nan 8.380 nan 0.000 0.472 130 P HA -0.159 nan 4.420 nan 0.000 0.216 130 P C 1.213 178.470 177.300 -0.071 0.000 1.153 130 P CA 1.174 64.248 63.100 -0.043 0.000 0.858 130 P CB 0.192 31.874 31.700 -0.030 0.000 0.789 131 R N 0.384 120.812 120.500 -0.121 0.000 2.193 131 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 131 R C 1.239 177.431 176.300 -0.180 0.000 1.110 131 R CA 1.449 57.450 56.100 -0.165 0.000 0.988 131 R CB -0.244 29.891 30.300 -0.274 0.000 0.871 131 R HN 0.196 nan 8.270 nan 0.000 0.458 132 V N -3.862 115.946 119.914 -0.178 0.000 3.319 132 V HA 0.398 4.518 4.120 -0.000 0.000 0.317 132 V C 1.582 177.650 176.094 -0.043 0.000 1.411 132 V CA 0.388 62.617 62.300 -0.118 0.000 1.112 132 V CB 0.319 32.066 31.823 -0.126 0.000 1.031 132 V HN 0.174 nan 8.190 nan 0.000 0.448 133 A N 2.243 125.040 122.820 -0.038 0.000 1.869 133 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 133 A C 2.306 179.886 177.584 -0.007 0.000 1.203 133 A CA 2.590 54.617 52.037 -0.017 0.000 0.638 133 A CB -1.512 17.478 19.000 -0.018 0.000 0.831 133 A HN 0.936 nan 8.150 nan 0.000 0.450 134 G N -1.362 107.434 108.800 -0.007 0.000 2.498 134 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 134 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 134 G C 0.886 175.792 174.900 0.010 0.000 1.119 134 G CA 1.172 46.269 45.100 -0.004 0.000 0.766 134 G HN 0.550 nan 8.290 nan 0.000 0.552 135 D N -0.233 120.182 120.400 0.026 0.000 2.379 135 D HA 0.082 4.722 4.640 -0.000 0.000 0.208 135 D C 0.818 177.152 176.300 0.057 0.000 1.065 135 D CA -0.095 53.936 54.000 0.052 0.000 0.848 135 D CB 0.796 41.638 40.800 0.071 0.000 0.949 135 D HN 0.034 nan 8.370 nan 0.000 0.509 136 V N 1.306 121.243 119.914 0.039 0.000 2.493 136 V HA 0.191 4.311 4.120 -0.000 0.000 0.292 136 V C 1.667 177.788 176.094 0.044 0.000 1.016 136 V CA 0.959 63.285 62.300 0.043 0.000 1.097 136 V CB 0.316 32.157 31.823 0.029 0.000 0.947 136 V HN 0.468 nan 8.190 nan 0.000 0.479 137 G N 5.162 113.996 108.800 0.057 0.000 2.212 137 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.267 137 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.267 137 G C 0.670 175.614 174.900 0.074 0.000 1.002 137 G CA 0.633 45.767 45.100 0.056 0.000 0.729 137 G HN 0.536 nan 8.290 nan 0.000 0.517 138 M N -0.748 118.899 119.600 0.078 0.000 2.435 138 M HA 0.351 4.831 4.480 -0.000 0.000 0.265 138 M C 2.464 178.825 176.300 0.101 0.000 1.104 138 M CA 1.513 56.860 55.300 0.078 0.000 1.140 138 M CB -0.574 32.063 32.600 0.062 0.000 1.372 138 M HN 0.711 nan 8.290 nan 0.000 0.456 139 A N -0.632 122.264 122.820 0.125 0.000 2.431 139 A HA 0.603 4.923 4.320 -0.000 0.000 0.239 139 A C 1.014 178.682 177.584 0.140 0.000 1.230 139 A CA 0.571 52.696 52.037 0.148 0.000 0.928 139 A CB 0.203 19.315 19.000 0.187 0.000 1.006 139 A HN 0.465 nan 8.150 nan 0.000 0.520 140 G N -1.629 107.246 108.800 0.125 0.000 2.340 140 G HA2 0.406 4.366 3.960 -0.000 0.000 0.299 140 G HA3 0.406 4.366 3.960 -0.000 0.000 0.299 140 G C -1.211 173.718 174.900 0.048 0.000 1.291 140 G CA 0.084 45.230 45.100 0.078 0.000 0.841 140 G HN 0.553 nan 8.290 nan 0.000 0.500 141 V N 0.839 120.733 119.914 -0.034 0.000 2.572 141 V HA 0.515 4.635 4.120 -0.000 0.000 0.291 141 V C 0.976 177.096 176.094 0.043 0.000 1.039 141 V CA 0.362 62.618 62.300 -0.073 0.000 1.055 141 V CB 0.793 32.502 31.823 -0.191 0.000 0.969 141 V HN 1.649 nan 8.190 nan 0.000 0.482 142 A N 8.643 131.475 122.820 0.020 0.000 2.350 142 A HA 0.558 4.878 4.320 -0.000 0.000 0.293 142 A C -0.377 177.252 177.584 0.074 0.000 1.231 142 A CA -0.267 51.804 52.037 0.057 0.000 0.883 142 A CB -0.312 18.707 19.000 0.031 0.000 1.133 142 A HN 0.624 nan 8.150 nan 0.000 0.533 143 I N 3.331 123.973 120.570 0.120 0.000 2.411 143 I HA 0.276 4.446 4.170 -0.000 0.000 0.284 143 I C -0.300 175.853 176.117 0.060 0.000 1.012 143 I CA -0.260 61.112 61.300 0.120 0.000 1.119 143 I CB 1.403 39.534 38.000 0.219 0.000 1.261 143 I HN 0.657 nan 8.210 nan 0.000 0.448 144 D N 2.878 123.307 120.400 0.048 0.000 2.470 144 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 144 D C 0.831 177.127 176.300 -0.006 0.000 1.054 144 D CA 0.782 54.794 54.000 0.019 0.000 0.896 144 D CB 1.250 42.063 40.800 0.022 0.000 1.118 144 D HN 0.594 nan 8.370 nan 0.000 0.497 145 S N -0.836 114.865 115.700 0.003 0.000 2.757 145 S HA 0.185 4.655 4.470 -0.000 0.000 0.285 145 S C 0.658 175.264 174.600 0.011 0.000 1.196 145 S CA -0.623 57.552 58.200 -0.041 0.000 0.856 145 S CB 0.902 64.012 63.200 -0.150 0.000 1.212 145 S HN -0.146 nan 8.310 nan 0.000 0.516 146 I N 1.004 121.566 120.570 -0.014 0.000 2.248 146 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 146 I C 1.847 178.072 176.117 0.181 0.000 1.107 146 I CA 1.756 63.092 61.300 0.060 0.000 1.373 146 I CB -0.799 37.214 38.000 0.022 0.000 1.055 146 I HN 0.683 nan 8.210 nan 0.000 0.418 147 Y N 1.324 121.635 120.300 0.018 0.000 2.081 147 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 147 Y C 2.586 178.493 175.900 0.012 0.000 1.163 147 Y CA 1.708 59.815 58.100 0.011 0.000 1.135 147 Y CB -1.389 37.073 38.460 0.004 0.000 0.970 147 Y HN 0.313 nan 8.280 nan 0.000 0.498 148 D N -0.802 119.712 120.400 0.190 0.000 2.084 148 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 148 D C 2.353 178.710 176.300 0.096 0.000 0.990 148 D CA 1.221 55.282 54.000 0.102 0.000 0.826 148 D CB -0.285 40.571 40.800 0.093 0.000 0.971 148 D HN 0.186 nan 8.370 nan 0.000 0.453 149 M N 0.608 120.298 119.600 0.151 0.000 2.106 149 M HA -0.165 4.315 4.480 -0.000 0.000 0.259 149 M C 2.191 178.628 176.300 0.228 0.000 1.068 149 M CA 1.178 56.612 55.300 0.224 0.000 1.100 149 M CB -0.894 31.855 32.600 0.247 0.000 1.351 149 M HN 0.025 nan 8.290 nan 0.000 0.404 150 R N 0.182 120.779 120.500 0.162 0.000 2.075 150 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 150 R C 1.914 178.262 176.300 0.081 0.000 1.126 150 R CA 1.657 57.834 56.100 0.128 0.000 0.963 150 R CB -0.041 30.321 30.300 0.102 0.000 0.858 150 R HN 0.456 nan 8.270 nan 0.000 0.435 151 E N 0.258 120.475 120.200 0.029 0.000 2.107 151 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 151 E C 1.925 178.466 176.600 -0.099 0.000 0.982 151 E CA 0.838 57.217 56.400 -0.034 0.000 0.809 151 E CB -0.049 29.619 29.700 -0.053 0.000 0.756 151 E HN 0.153 nan 8.360 nan 0.000 0.459 152 L N -0.033 121.097 121.223 -0.155 0.000 2.012 152 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 152 L C 1.402 177.944 176.870 -0.547 0.000 1.073 152 L CA 1.753 56.347 54.840 -0.410 0.000 0.748 152 L CB -0.211 41.535 42.059 -0.521 0.000 0.891 152 L HN 0.069 nan 8.230 nan 0.000 0.431 153 F N -0.158 119.858 119.950 0.111 0.000 2.660 153 F HA 0.404 4.931 4.527 -0.000 0.000 0.302 153 F C 1.236 177.071 175.800 0.058 0.000 1.103 153 F CA -0.137 57.928 58.000 0.110 0.000 1.340 153 F CB -1.101 37.959 39.000 0.099 0.000 1.048 153 F HN -0.002 nan 8.300 nan 0.000 0.551 154 A N 0.333 123.213 122.820 0.101 0.000 2.491 154 A HA 0.453 4.773 4.320 -0.000 0.000 0.261 154 A C 1.480 179.102 177.584 0.063 0.000 1.101 154 A CA 0.588 52.664 52.037 0.066 0.000 0.772 154 A CB -0.685 18.325 19.000 0.017 0.000 1.043 154 A HN 0.910 nan 8.150 nan 0.000 0.501 155 G N 1.472 110.312 108.800 0.066 0.000 2.136 155 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 155 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 155 G C -0.077 174.873 174.900 0.083 0.000 0.989 155 G CA 0.420 45.554 45.100 0.058 0.000 0.682 155 G HN 0.963 nan 8.290 nan 0.000 0.522 156 I N 1.166 121.811 120.570 0.126 0.000 2.521 156 I HA 0.285 4.455 4.170 -0.000 0.000 0.277 156 I C -2.433 173.765 176.117 0.136 0.000 1.054 156 I CA -2.303 59.091 61.300 0.157 0.000 1.117 156 I CB 2.200 40.363 38.000 0.272 0.000 1.217 156 I HN -0.198 nan 8.210 nan 0.000 0.469 157 P HA 0.097 nan 4.420 nan 0.000 0.260 157 P C 0.826 178.149 177.300 0.040 0.000 1.207 157 P CA 0.124 63.252 63.100 0.047 0.000 0.780 157 P CB 0.468 32.188 31.700 0.033 0.000 0.789 158 L N 2.278 123.501 121.223 -0.001 0.000 2.456 158 L HA -0.115 4.224 4.340 -0.000 0.000 0.224 158 L C 1.706 178.587 176.870 0.019 0.000 1.148 158 L CA 0.999 55.824 54.840 -0.026 0.000 0.825 158 L CB -0.620 41.315 42.059 -0.207 0.000 0.937 158 L HN 0.377 nan 8.230 nan 0.000 0.450 159 D N -0.703 119.706 120.400 0.016 0.000 2.289 159 D HA -0.166 4.474 4.640 -0.000 0.000 0.207 159 D C 1.716 178.037 176.300 0.036 0.000 0.966 159 D CA 0.712 54.730 54.000 0.030 0.000 0.868 159 D CB 0.031 40.841 40.800 0.016 0.000 0.943 159 D HN 0.412 nan 8.370 nan 0.000 0.514 160 Q N -1.209 118.611 119.800 0.034 0.000 2.350 160 Q HA 0.206 4.546 4.340 -0.000 0.000 0.225 160 Q C 0.168 176.187 176.000 0.032 0.000 0.878 160 Q CA -0.205 55.615 55.803 0.028 0.000 0.935 160 Q CB 0.692 29.442 28.738 0.022 0.000 1.099 160 Q HN 0.109 nan 8.270 nan 0.000 0.527 161 M N 0.300 119.929 119.600 0.049 0.000 2.404 161 M HA 0.301 4.781 4.480 -0.000 0.000 0.338 161 M C -0.784 175.548 176.300 0.053 0.000 1.150 161 M CA -0.742 54.588 55.300 0.051 0.000 1.016 161 M CB 1.969 34.619 32.600 0.083 0.000 1.672 161 M HN -0.210 nan 8.290 nan 0.000 0.448 162 S N 3.663 119.371 115.700 0.013 0.000 2.452 162 S HA 0.714 5.184 4.470 -0.000 0.000 0.284 162 S C -1.301 173.268 174.600 -0.051 0.000 1.171 162 S CA -0.612 57.571 58.200 -0.030 0.000 1.064 162 S CB 0.077 63.236 63.200 -0.068 0.000 0.967 162 S HN 0.569 nan 8.310 nan 0.000 0.484 163 V N 4.865 124.734 119.914 -0.075 0.000 2.444 163 V HA 0.524 4.644 4.120 -0.000 0.000 0.294 163 V C 0.190 176.136 176.094 -0.246 0.000 1.022 163 V CA -0.755 61.489 62.300 -0.093 0.000 0.850 163 V CB 1.617 33.433 31.823 -0.011 0.000 0.992 163 V HN 0.863 nan 8.190 nan 0.000 0.426 164 S N 6.055 121.630 115.700 -0.209 0.000 2.541 164 S HA 0.787 5.257 4.470 -0.000 0.000 0.283 164 S C -0.625 173.921 174.600 -0.090 0.000 1.196 164 S CA -0.577 57.471 58.200 -0.252 0.000 1.062 164 S CB 0.907 63.914 63.200 -0.321 0.000 1.009 164 S HN 0.665 nan 8.310 nan 0.000 0.502 165 M N 3.406 123.000 119.600 -0.011 0.000 2.197 165 M HA 0.259 4.739 4.480 -0.000 0.000 0.301 165 M C -0.819 175.631 176.300 0.250 0.000 0.987 165 M CA -0.352 55.079 55.300 0.219 0.000 0.921 165 M CB 2.266 35.060 32.600 0.324 0.000 1.569 165 M HN 0.573 nan 8.290 nan 0.000 0.431 166 T N 4.402 119.184 114.554 0.380 0.000 2.992 166 T HA 0.494 4.844 4.350 -0.000 0.000 0.299 166 T C -0.640 174.319 174.700 0.432 0.000 1.027 166 T CA -0.141 62.158 62.100 0.331 0.000 1.001 166 T CB -0.292 68.799 68.868 0.370 0.000 1.005 166 T HN 0.485 nan 8.240 nan 0.000 0.599 167 M N 3.621 123.338 119.600 0.195 0.000 2.284 167 M HA 0.435 4.915 4.480 -0.000 0.000 0.281 167 M C -0.612 175.688 176.300 0.000 0.000 1.083 167 M CA -0.600 54.702 55.300 0.002 0.000 0.965 167 M CB 1.321 33.734 32.600 -0.312 0.000 1.717 167 M HN 0.199 nan 8.290 nan 0.000 0.479 168 N N 1.969 120.677 118.700 0.014 0.000 2.677 168 N HA 0.191 4.931 4.740 -0.000 0.000 0.242 168 N C 1.083 176.559 175.510 -0.056 0.000 1.044 168 N CA 0.781 53.813 53.050 -0.029 0.000 0.934 168 N CB 0.227 38.684 38.487 -0.050 0.000 1.595 168 N HN 0.774 nan 8.380 nan 0.000 0.459 169 G N 1.485 110.246 108.800 -0.065 0.000 2.524 169 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 169 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 169 G C 0.963 175.797 174.900 -0.111 0.000 1.239 169 G CA 1.081 46.104 45.100 -0.127 0.000 0.798 169 G HN 0.372 nan 8.290 nan 0.000 0.557 170 A N 0.108 122.842 122.820 -0.143 0.000 2.648 170 A HA 0.535 4.855 4.320 -0.000 0.000 0.269 170 A C 1.801 179.301 177.584 -0.140 0.000 1.392 170 A CA 0.314 52.271 52.037 -0.134 0.000 1.019 170 A CB -0.174 18.709 19.000 -0.195 0.000 1.009 170 A HN 0.406 nan 8.150 nan 0.000 0.565 171 V N -0.182 119.671 119.914 -0.101 0.000 2.332 171 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 171 V C 2.200 178.239 176.094 -0.092 0.000 1.055 171 V CA 2.421 64.661 62.300 -0.100 0.000 1.038 171 V CB -0.458 31.326 31.823 -0.065 0.000 0.651 171 V HN 0.738 nan 8.190 nan 0.000 0.450 172 L N 0.650 121.836 121.223 -0.062 0.000 1.955 172 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 172 L C 0.270 177.082 176.870 -0.096 0.000 1.072 172 L CA 2.366 57.159 54.840 -0.078 0.000 0.755 172 L CB -2.036 39.996 42.059 -0.045 0.000 0.888 172 L HN 0.348 nan 8.230 nan 0.000 0.432 173 P HA -0.152 nan 4.420 nan 0.000 0.219 173 P C 1.833 179.078 177.300 -0.092 0.000 1.150 173 P CA 1.384 64.433 63.100 -0.085 0.000 0.814 173 P CB -0.023 31.631 31.700 -0.076 0.000 0.787 174 I N -0.667 119.822 120.570 -0.136 0.000 2.202 174 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 174 I C 2.440 178.532 176.117 -0.042 0.000 1.091 174 I CA 0.974 62.187 61.300 -0.145 0.000 1.368 174 I CB -1.600 36.169 38.000 -0.384 0.000 1.058 174 I HN -0.051 nan 8.210 nan 0.000 0.410 175 L N 1.541 122.719 121.223 -0.075 0.000 1.989 175 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 175 L C 2.629 179.449 176.870 -0.083 0.000 1.071 175 L CA 2.307 57.098 54.840 -0.082 0.000 0.749 175 L CB -1.054 40.928 42.059 -0.129 0.000 0.890 175 L HN 0.211 nan 8.230 nan 0.000 0.431 176 A N -0.453 122.298 122.820 -0.115 0.000 1.873 176 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 176 A C 2.296 179.843 177.584 -0.062 0.000 1.193 176 A CA 2.305 54.269 52.037 -0.122 0.000 0.629 176 A CB -1.110 17.820 19.000 -0.116 0.000 0.826 176 A HN 0.522 nan 8.150 nan 0.000 0.447 177 L N -2.297 118.917 121.223 -0.016 0.000 2.127 177 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 177 L C 2.572 179.486 176.870 0.073 0.000 1.089 177 L CA 1.706 56.562 54.840 0.028 0.000 0.757 177 L CB -0.572 41.518 42.059 0.052 0.000 0.899 177 L HN 0.619 nan 8.230 nan 0.000 0.434 178 Y N 0.169 120.452 120.300 -0.029 0.000 2.163 178 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 178 Y C 2.407 178.226 175.900 -0.134 0.000 1.136 178 Y CA 1.570 59.631 58.100 -0.064 0.000 1.147 178 Y CB -0.265 38.130 38.460 -0.107 0.000 0.987 178 Y HN -0.172 nan 8.280 nan 0.000 0.509 179 V N -0.734 119.130 119.914 -0.083 0.000 2.287 179 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 179 V C 2.338 178.344 176.094 -0.147 0.000 1.053 179 V CA 1.883 64.092 62.300 -0.152 0.000 1.027 179 V CB -0.990 30.765 31.823 -0.114 0.000 0.646 179 V HN 0.358 nan 8.190 nan 0.000 0.447 180 V N -0.216 119.638 119.914 -0.100 0.000 2.343 180 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 180 V C 2.551 178.595 176.094 -0.083 0.000 1.051 180 V CA 2.542 64.799 62.300 -0.072 0.000 1.036 180 V CB -1.101 30.695 31.823 -0.044 0.000 0.654 180 V HN 0.619 nan 8.190 nan 0.000 0.451 181 T N 0.546 115.037 114.554 -0.105 0.000 2.684 181 T HA -0.193 4.156 4.350 -0.000 0.000 0.267 181 T C 2.102 176.698 174.700 -0.174 0.000 1.036 181 T CA 1.709 63.750 62.100 -0.098 0.000 1.148 181 T CB -0.485 68.347 68.868 -0.061 0.000 0.863 181 T HN 0.580 nan 8.240 nan 0.000 0.436 182 A N 1.457 124.085 122.820 -0.321 0.000 1.865 182 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 182 A C 2.219 179.717 177.584 -0.144 0.000 1.191 182 A CA 2.149 54.014 52.037 -0.287 0.000 0.623 182 A CB -0.858 17.924 19.000 -0.364 0.000 0.826 182 A HN 0.621 nan 8.150 nan 0.000 0.444 183 E N -0.117 120.016 120.200 -0.111 0.000 2.065 183 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 183 E C 1.897 178.470 176.600 -0.045 0.000 1.016 183 E CA 1.735 58.098 56.400 -0.062 0.000 0.818 183 E CB -0.227 29.443 29.700 -0.050 0.000 0.749 183 E HN 0.757 nan 8.360 nan 0.000 0.453 184 E N -0.087 120.090 120.200 -0.039 0.000 2.209 184 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 184 E C 2.072 178.662 176.600 -0.017 0.000 0.993 184 E CA 0.948 57.337 56.400 -0.019 0.000 0.819 184 E CB -0.074 29.623 29.700 -0.004 0.000 0.745 184 E HN 0.450 nan 8.360 nan 0.000 0.477 185 Q N -0.697 119.086 119.800 -0.028 0.000 2.432 185 Q HA 0.042 4.382 4.340 -0.000 0.000 0.205 185 Q C 0.998 176.986 176.000 -0.020 0.000 0.945 185 Q CA 0.534 56.324 55.803 -0.021 0.000 0.924 185 Q CB 0.787 29.505 28.738 -0.034 0.000 1.016 185 Q HN 0.413 nan 8.270 nan 0.000 0.503 186 G N 0.708 109.493 108.800 -0.024 0.000 2.130 186 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 186 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 186 G C -0.060 174.827 174.900 -0.022 0.000 0.999 186 G CA -0.046 45.043 45.100 -0.019 0.000 0.686 186 G HN 0.179 nan 8.290 nan 0.000 0.515 187 V N 1.193 121.085 119.914 -0.036 0.000 2.427 187 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 187 V C 0.696 176.768 176.094 -0.037 0.000 1.034 187 V CA -0.745 61.533 62.300 -0.035 0.000 0.893 187 V CB 1.581 33.373 31.823 -0.051 0.000 0.982 187 V HN 0.334 nan 8.190 nan 0.000 0.452 188 K N 5.258 125.648 120.400 -0.018 0.000 2.098 188 K HA 0.353 4.673 4.320 -0.000 0.000 0.257 188 K C -1.751 174.846 176.600 -0.006 0.000 0.999 188 K CA -1.642 54.638 56.287 -0.012 0.000 0.924 188 K CB 0.797 33.295 32.500 -0.003 0.000 1.028 188 K HN 0.264 nan 8.250 nan 0.000 0.466 189 P HA -0.248 nan 4.420 nan 0.000 0.217 189 P C 0.902 178.221 177.300 0.032 0.000 1.148 189 P CA 1.398 64.506 63.100 0.012 0.000 0.828 189 P CB 0.110 31.834 31.700 0.041 0.000 0.783 190 E N 0.443 120.658 120.200 0.025 0.000 2.204 190 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 190 E C 1.494 178.132 176.600 0.063 0.000 0.989 190 E CA 1.017 57.440 56.400 0.038 0.000 0.824 190 E CB -0.930 28.780 29.700 0.017 0.000 0.756 190 E HN 0.419 nan 8.360 nan 0.000 0.477 191 Q N 0.534 120.369 119.800 0.059 0.000 2.444 191 Q HA 0.209 4.549 4.340 -0.000 0.000 0.206 191 Q C 0.342 176.409 176.000 0.111 0.000 0.948 191 Q CA 0.003 55.846 55.803 0.066 0.000 0.946 191 Q CB 0.214 28.975 28.738 0.039 0.000 1.027 191 Q HN 0.257 nan 8.270 nan 0.000 0.513 192 L N 1.543 122.867 121.223 0.169 0.000 2.283 192 L HA 0.354 4.694 4.340 -0.000 0.000 0.287 192 L C -0.127 177.008 176.870 0.442 0.000 1.073 192 L CA -0.762 54.265 54.840 0.311 0.000 0.822 192 L CB 0.684 42.935 42.059 0.320 0.000 1.186 192 L HN -0.016 nan 8.230 nan 0.000 0.436 193 A N 3.249 126.249 122.820 0.300 0.000 2.274 193 A HA 0.876 5.196 4.320 -0.000 0.000 0.309 193 A C 0.378 177.937 177.584 -0.041 0.000 1.226 193 A CA 0.249 52.363 52.037 0.129 0.000 0.853 193 A CB 1.030 20.060 19.000 0.050 0.000 1.146 193 A HN 0.843 nan 8.150 nan 0.000 0.518 194 G N 0.228 108.723 108.800 -0.510 0.000 2.327 194 G HA2 0.530 4.490 3.960 -0.000 0.000 0.291 194 G HA3 0.530 4.490 3.960 -0.000 0.000 0.291 194 G C -0.974 172.934 174.900 -1.654 0.000 1.290 194 G CA -0.012 44.447 45.100 -1.069 0.000 0.857 194 G HN 1.007 nan 8.290 nan 0.000 0.520 195 T N -0.157 113.535 114.554 -1.437 0.000 2.916 195 T HA 0.605 4.955 4.350 -0.000 0.000 0.305 195 T C -1.300 173.144 174.700 -0.426 0.000 1.119 195 T CA -0.274 61.255 62.100 -0.952 0.000 1.008 195 T CB 2.042 70.600 68.868 -0.517 0.000 1.129 195 T HN 0.934 nan 8.240 nan 0.000 0.480 196 I N 2.090 122.622 120.570 -0.063 0.000 2.465 196 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 196 I C 1.302 177.426 176.117 0.013 0.000 1.014 196 I CA -0.561 60.833 61.300 0.157 0.000 1.093 196 I CB 1.892 40.106 38.000 0.356 0.000 1.267 196 I HN 0.784 nan 8.210 nan 0.000 0.431 197 Q N 4.920 124.720 119.800 -0.000 0.000 1.993 197 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 197 Q C 0.684 176.648 176.000 -0.060 0.000 0.984 197 Q CA 1.895 57.676 55.803 -0.036 0.000 0.837 197 Q CB -0.049 28.694 28.738 0.008 0.000 0.902 197 Q HN 0.806 nan 8.270 nan 0.000 0.423 198 N N 1.343 120.014 118.700 -0.049 0.000 2.707 198 N HA -0.199 4.541 4.740 -0.000 0.000 0.253 198 N C -1.930 173.484 175.510 -0.161 0.000 0.998 198 N CA 1.143 54.135 53.050 -0.097 0.000 0.751 198 N CB -1.052 37.382 38.487 -0.089 0.000 0.920 198 N HN 0.422 nan 8.380 nan 0.000 0.539 199 D N -0.009 120.327 120.400 -0.106 0.000 2.462 199 D HA 0.245 4.885 4.640 -0.000 0.000 0.249 199 D C 0.871 177.193 176.300 0.036 0.000 1.117 199 D CA -0.599 53.370 54.000 -0.052 0.000 0.900 199 D CB 0.107 40.889 40.800 -0.031 0.000 1.039 199 D HN 0.239 nan 8.370 nan 0.000 0.516 200 I N 3.420 124.057 120.570 0.112 0.000 2.876 200 I HA -0.018 4.152 4.170 -0.000 0.000 0.264 200 I C 1.952 178.131 176.117 0.104 0.000 1.204 200 I CA 0.596 61.920 61.300 0.040 0.000 1.485 200 I CB 0.172 38.214 38.000 0.070 0.000 1.103 200 I HN 0.480 nan 8.210 nan 0.000 0.446 201 L N 0.489 121.852 121.223 0.233 0.000 2.042 201 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 201 L C 2.372 179.321 176.870 0.132 0.000 1.076 201 L CA 1.790 56.742 54.840 0.186 0.000 0.749 201 L CB -0.940 41.138 42.059 0.031 0.000 0.893 201 L HN 0.279 nan 8.230 nan 0.000 0.432 202 K N -0.672 119.780 120.400 0.086 0.000 2.296 202 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 202 K C 1.688 178.277 176.600 -0.018 0.000 1.048 202 K CA 0.814 57.127 56.287 0.043 0.000 0.966 202 K CB -0.243 32.288 32.500 0.052 0.000 0.754 202 K HN 0.131 nan 8.250 nan 0.000 0.466 203 E N 0.709 120.856 120.200 -0.089 0.000 2.031 203 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 203 E C 1.835 178.418 176.600 -0.028 0.000 0.994 203 E CA 1.250 57.558 56.400 -0.154 0.000 0.800 203 E CB -0.404 29.120 29.700 -0.293 0.000 0.752 203 E HN 0.384 nan 8.360 nan 0.000 0.447 204 F N 0.614 120.637 119.950 0.121 0.000 2.134 204 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 204 F C 2.593 178.415 175.800 0.037 0.000 1.097 204 F CA 0.981 58.985 58.000 0.008 0.000 1.264 204 F CB -0.497 38.363 39.000 -0.234 0.000 1.001 204 F HN -0.001 nan 8.300 nan 0.000 0.479 205 M N -0.063 119.640 119.600 0.171 0.000 2.123 205 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 205 M C 1.631 177.981 176.300 0.084 0.000 1.069 205 M CA 2.107 57.462 55.300 0.092 0.000 1.133 205 M CB 0.096 32.718 32.600 0.037 0.000 1.356 205 M HN 0.118 nan 8.290 nan 0.000 0.415 206 V N -5.303 114.651 119.914 0.067 0.000 3.180 206 V HA 0.216 4.336 4.120 -0.000 0.000 0.246 206 V C 1.714 177.815 176.094 0.011 0.000 1.545 206 V CA -0.056 62.272 62.300 0.047 0.000 1.138 206 V CB -0.419 31.434 31.823 0.050 0.000 0.978 206 V HN 0.346 nan 8.190 nan 0.000 0.437 207 R N 0.843 121.320 120.500 -0.039 0.000 2.193 207 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 207 R C 0.533 176.750 176.300 -0.137 0.000 1.055 207 R CA 0.862 56.891 56.100 -0.118 0.000 0.995 207 R CB -0.006 30.145 30.300 -0.248 0.000 0.893 207 R HN 0.656 nan 8.270 nan 0.000 0.459 208 N N 0.670 119.316 118.700 -0.090 0.000 2.727 208 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 208 N C -0.327 174.967 175.510 -0.359 0.000 1.048 208 N CA 1.627 54.567 53.050 -0.183 0.000 0.714 208 N CB -1.459 36.990 38.487 -0.063 0.000 0.959 208 N HN 0.506 nan 8.380 nan 0.000 0.544 209 T N -3.885 110.408 114.554 -0.434 0.000 3.288 209 T HA 0.216 4.566 4.350 -0.000 0.000 0.293 209 T C 0.560 175.013 174.700 -0.412 0.000 1.008 209 T CA -0.685 61.180 62.100 -0.391 0.000 0.929 209 T CB -0.275 68.419 68.868 -0.289 0.000 1.152 209 T HN 0.276 nan 8.240 nan 0.000 0.517 210 Y N 0.047 120.180 120.300 -0.278 0.000 2.296 210 Y HA 0.666 5.216 4.550 -0.000 0.000 0.343 210 Y C 0.959 176.677 175.900 -0.302 0.000 1.292 210 Y CA -1.691 56.155 58.100 -0.423 0.000 1.490 210 Y CB 0.300 38.261 38.460 -0.831 0.000 1.359 210 Y HN -0.024 nan 8.280 nan 0.000 0.599 211 I N -1.552 118.935 120.570 -0.138 0.000 3.674 211 I HA 0.101 4.271 4.170 -0.000 0.000 0.248 211 I C -0.337 175.650 176.117 -0.216 0.000 1.134 211 I CA -0.532 60.527 61.300 -0.402 0.000 1.519 211 I CB 0.046 37.445 38.000 -1.001 0.000 1.598 211 I HN 0.433 nan 8.210 nan 0.000 0.442 212 Y N 2.301 122.707 120.300 0.178 0.000 2.316 212 Y HA 0.362 4.912 4.550 -0.000 0.000 0.324 212 Y C -2.251 173.774 175.900 0.209 0.000 1.267 212 Y CA -3.240 54.969 58.100 0.181 0.000 1.311 212 Y CB -0.979 37.539 38.460 0.096 0.000 1.267 212 Y HN -0.057 nan 8.280 nan 0.000 0.516 213 P HA 0.048 nan 4.420 nan 0.000 0.271 213 P C -2.083 175.169 177.300 -0.079 0.000 1.233 213 P CA -1.227 61.927 63.100 0.091 0.000 0.789 213 P CB 0.243 32.032 31.700 0.148 0.000 0.951 214 P HA -0.276 nan 4.420 nan 0.000 0.214 214 P C 1.697 178.857 177.300 -0.234 0.000 1.172 214 P CA 1.717 64.512 63.100 -0.509 0.000 0.925 214 P CB -0.289 30.909 31.700 -0.837 0.000 0.793 215 Q N -0.554 119.114 119.800 -0.220 0.000 1.998 215 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 215 Q C -0.604 175.253 176.000 -0.238 0.000 1.002 215 Q CA 3.241 58.931 55.803 -0.188 0.000 0.858 215 Q CB -2.106 26.539 28.738 -0.155 0.000 0.932 215 Q HN 0.202 nan 8.270 nan 0.000 0.416 216 P HA -0.058 nan 4.420 nan 0.000 0.216 216 P C 1.427 178.425 177.300 -0.502 0.000 1.150 216 P CA 1.448 64.109 63.100 -0.732 0.000 0.837 216 P CB -0.213 30.673 31.700 -1.356 0.000 0.786 217 S N -0.722 114.860 115.700 -0.197 0.000 2.356 217 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 217 S C 1.941 176.515 174.600 -0.043 0.000 1.032 217 S CA 1.238 59.433 58.200 -0.008 0.000 1.005 217 S CB -0.736 62.573 63.200 0.181 0.000 0.867 217 S HN 0.054 nan 8.310 nan 0.000 0.449 218 M N 1.098 120.662 119.600 -0.060 0.000 2.159 218 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 218 M C 2.190 178.424 176.300 -0.110 0.000 1.063 218 M CA 1.303 56.572 55.300 -0.051 0.000 1.110 218 M CB -1.189 31.378 32.600 -0.055 0.000 1.374 218 M HN 0.290 nan 8.290 nan 0.000 0.411 219 R N 0.534 120.938 120.500 -0.161 0.000 2.092 219 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 219 R C 2.089 178.297 176.300 -0.153 0.000 1.119 219 R CA 1.169 57.175 56.100 -0.158 0.000 0.970 219 R CB -0.215 29.974 30.300 -0.186 0.000 0.864 219 R HN 0.309 nan 8.270 nan 0.000 0.440 220 I N 0.687 121.160 120.570 -0.162 0.000 2.226 220 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 220 I C 2.267 178.275 176.117 -0.181 0.000 1.100 220 I CA 1.287 62.516 61.300 -0.120 0.000 1.374 220 I CB -0.189 37.771 38.000 -0.067 0.000 1.057 220 I HN 0.213 nan 8.210 nan 0.000 0.413 221 I N 0.526 120.950 120.570 -0.243 0.000 2.127 221 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 221 I C 2.838 178.510 176.117 -0.741 0.000 1.075 221 I CA 1.921 62.936 61.300 -0.476 0.000 1.334 221 I CB -0.514 37.246 38.000 -0.401 0.000 1.040 221 I HN 0.332 nan 8.210 nan 0.000 0.405 222 S N 0.504 115.895 115.700 -0.514 0.000 2.402 222 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 222 S C 1.740 176.236 174.600 -0.173 0.000 1.030 222 S CA 1.484 59.485 58.200 -0.332 0.000 1.003 222 S CB -0.568 62.552 63.200 -0.133 0.000 0.813 222 S HN 0.513 nan 8.310 nan 0.000 0.477 223 E N 0.587 120.707 120.200 -0.133 0.000 2.216 223 E HA 0.073 4.423 4.350 -0.000 0.000 0.192 223 E C 1.950 178.549 176.600 -0.002 0.000 0.988 223 E CA 0.959 57.333 56.400 -0.044 0.000 0.834 223 E CB -0.221 29.455 29.700 -0.039 0.000 0.772 223 E HN 0.631 nan 8.360 nan 0.000 0.479 224 I N 0.438 120.966 120.570 -0.069 0.000 2.333 224 I HA -0.202 3.967 4.170 -0.000 0.000 0.246 224 I C 1.940 178.158 176.117 0.170 0.000 1.106 224 I CA 0.610 61.917 61.300 0.013 0.000 1.411 224 I CB -0.147 37.817 38.000 -0.059 0.000 1.082 224 I HN -0.012 nan 8.210 nan 0.000 0.420 225 F N 1.451 121.407 119.950 0.009 0.000 2.043 225 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 225 F C 2.724 178.517 175.800 -0.012 0.000 1.121 225 F CA 1.216 59.203 58.000 -0.022 0.000 1.199 225 F CB -1.595 37.278 39.000 -0.213 0.000 0.968 225 F HN 0.040 nan 8.300 nan 0.000 0.478 226 A N -1.011 121.906 122.820 0.161 0.000 1.883 226 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 226 A C 2.210 179.868 177.584 0.123 0.000 1.186 226 A CA 1.788 53.883 52.037 0.096 0.000 0.624 226 A CB -1.596 17.437 19.000 0.055 0.000 0.822 226 A HN 0.465 nan 8.150 nan 0.000 0.444 227 Y N 1.585 121.907 120.300 0.037 0.000 2.163 227 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 227 Y C 3.011 178.937 175.900 0.043 0.000 1.136 227 Y CA 2.681 60.796 58.100 0.024 0.000 1.147 227 Y CB -0.601 37.856 38.460 -0.005 0.000 0.987 227 Y HN 0.481 nan 8.280 nan 0.000 0.509 228 T N -2.949 111.762 114.554 0.261 0.000 2.708 228 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 228 T C 2.224 176.996 174.700 0.119 0.000 1.037 228 T CA 1.606 63.830 62.100 0.206 0.000 1.146 228 T CB -1.212 67.841 68.868 0.310 0.000 0.865 228 T HN 0.339 nan 8.240 nan 0.000 0.435 229 S N 1.575 117.355 115.700 0.133 0.000 2.374 229 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 229 S C 2.350 176.966 174.600 0.028 0.000 1.037 229 S CA 1.580 59.841 58.200 0.102 0.000 1.024 229 S CB -0.940 62.336 63.200 0.127 0.000 0.861 229 S HN 0.785 nan 8.310 nan 0.000 0.456 230 A N 0.876 123.673 122.820 -0.040 0.000 1.975 230 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 230 A C 1.894 179.387 177.584 -0.152 0.000 1.170 230 A CA 0.936 52.921 52.037 -0.086 0.000 0.656 230 A CB -0.199 18.732 19.000 -0.114 0.000 0.821 230 A HN 0.643 nan 8.150 nan 0.000 0.449 231 N N -1.584 116.951 118.700 -0.276 0.000 2.210 231 N HA 0.247 4.987 4.740 -0.000 0.000 0.203 231 N C -0.402 175.027 175.510 -0.136 0.000 1.175 231 N CA 0.277 53.154 53.050 -0.288 0.000 0.894 231 N CB 0.709 38.799 38.487 -0.663 0.000 1.041 231 N HN 0.372 nan 8.380 nan 0.000 0.506 232 M N 1.415 120.991 119.600 -0.039 0.000 1.949 232 M HA 0.257 4.737 4.480 -0.000 0.000 0.234 232 M C -2.076 174.313 176.300 0.149 0.000 0.855 232 M CA -1.450 53.900 55.300 0.083 0.000 0.800 232 M CB 2.499 35.173 32.600 0.123 0.000 1.697 232 M HN -0.223 nan 8.290 nan 0.000 0.357 233 P HA -0.088 nan 4.420 nan 0.000 0.223 233 P C 0.398 177.770 177.300 0.119 0.000 1.151 233 P CA 1.225 64.386 63.100 0.101 0.000 0.787 233 P CB 0.162 31.901 31.700 0.064 0.000 0.788 234 K N -2.265 118.223 120.400 0.147 0.000 2.374 234 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 234 K C 0.647 177.346 176.600 0.165 0.000 1.023 234 K CA -0.201 56.164 56.287 0.130 0.000 1.103 234 K CB 0.116 32.690 32.500 0.123 0.000 0.848 234 K HN 0.187 nan 8.250 nan 0.000 0.528 235 W N 3.395 124.718 121.300 0.038 0.000 2.322 235 W HA 0.160 4.820 4.660 -0.000 0.000 0.307 235 W C -0.783 175.753 176.519 0.029 0.000 1.220 235 W CA -0.402 56.963 57.345 0.034 0.000 1.210 235 W CB 0.535 30.030 29.460 0.059 0.000 1.223 235 W HN 0.015 nan 8.180 nan 0.000 0.511 236 N N 3.427 121.842 118.700 -0.475 0.000 2.411 236 N HA -0.061 4.679 4.740 -0.000 0.000 0.259 236 N C 1.098 176.510 175.510 -0.163 0.000 1.103 236 N CA 0.303 53.196 53.050 -0.263 0.000 0.954 236 N CB 1.544 39.843 38.487 -0.313 0.000 1.085 236 N HN 0.395 nan 8.380 nan 0.000 0.485 237 S N 1.962 117.729 115.700 0.112 0.000 2.527 237 S HA 0.138 4.607 4.470 -0.000 0.000 0.222 237 S C 0.720 175.444 174.600 0.206 0.000 0.985 237 S CA 0.118 58.499 58.200 0.302 0.000 0.921 237 S CB 0.263 63.727 63.200 0.440 0.000 0.772 237 S HN 0.640 nan 8.310 nan 0.000 0.529 238 I N -0.311 120.288 120.570 0.047 0.000 2.908 238 I HA 0.433 4.603 4.170 -0.000 0.000 0.300 238 I C -1.570 174.431 176.117 -0.194 0.000 1.385 238 I CA -0.490 60.765 61.300 -0.075 0.000 1.004 238 I CB 2.089 40.038 38.000 -0.085 0.000 1.309 238 I HN -0.007 nan 8.210 nan 0.000 0.449 239 S N 7.145 122.716 115.700 -0.214 0.000 2.252 239 S HA 0.529 4.998 4.470 -0.000 0.000 0.187 239 S C -0.537 173.930 174.600 -0.221 0.000 1.587 239 S CA -0.537 57.532 58.200 -0.218 0.000 1.215 239 S CB -0.179 62.922 63.200 -0.165 0.000 1.085 239 S HN 0.399 nan 8.310 nan 0.000 0.466 240 I N 3.998 124.294 120.570 -0.457 0.000 2.576 240 I HA 0.103 4.273 4.170 -0.000 0.000 0.288 240 I C 0.443 176.376 176.117 -0.307 0.000 1.126 240 I CA 0.358 61.395 61.300 -0.439 0.000 1.362 240 I CB 0.325 37.842 38.000 -0.805 0.000 1.419 240 I HN 0.409 nan 8.210 nan 0.000 0.533 241 S N 3.995 119.658 115.700 -0.062 0.000 2.549 241 S HA 0.582 5.052 4.470 -0.000 0.000 0.297 241 S C 0.924 175.516 174.600 -0.014 0.000 1.115 241 S CA -0.580 57.602 58.200 -0.030 0.000 1.059 241 S CB 1.916 65.252 63.200 0.227 0.000 1.046 241 S HN 0.783 nan 8.310 nan 0.000 0.506 242 G N -0.327 108.388 108.800 -0.142 0.000 2.759 242 G HA2 0.017 3.977 3.960 -0.000 0.000 0.208 242 G HA3 0.017 3.977 3.960 -0.000 0.000 0.208 242 G C 0.871 175.719 174.900 -0.086 0.000 1.076 242 G CA -0.183 44.940 45.100 0.038 0.000 0.789 242 G HN 0.676 nan 8.290 nan 0.000 0.546 243 Y N 2.268 122.207 120.300 -0.603 0.000 2.069 243 Y HA -0.359 4.191 4.550 -0.000 0.000 0.278 243 Y C 2.732 178.305 175.900 -0.545 0.000 1.175 243 Y CA 2.720 60.351 58.100 -0.782 0.000 1.134 243 Y CB -0.397 37.023 38.460 -1.734 0.000 0.965 243 Y HN 0.422 nan 8.280 nan 0.000 0.498 244 H N -1.010 117.944 119.070 -0.193 0.000 2.387 244 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 244 H C 2.187 177.427 175.328 -0.147 0.000 1.099 244 H CA 2.049 58.018 56.048 -0.132 0.000 1.315 244 H CB -0.508 29.249 29.762 -0.008 0.000 1.380 244 H HN 0.400 nan 8.280 nan 0.000 0.513 245 M N 0.144 119.749 119.600 0.008 0.000 2.132 245 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 245 M C 2.469 178.704 176.300 -0.109 0.000 1.065 245 M CA 1.669 56.968 55.300 -0.001 0.000 1.122 245 M CB -0.203 32.445 32.600 0.080 0.000 1.365 245 M HN 0.319 nan 8.290 nan 0.000 0.411 246 Q N 0.668 120.359 119.800 -0.182 0.000 2.046 246 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 246 Q C 1.833 177.642 176.000 -0.319 0.000 0.975 246 Q CA 1.279 56.941 55.803 -0.235 0.000 0.836 246 Q CB 0.120 28.724 28.738 -0.224 0.000 0.896 246 Q HN 0.380 nan 8.270 nan 0.000 0.428 247 E N 0.160 120.120 120.200 -0.400 0.000 2.153 247 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 247 E C 1.702 178.164 176.600 -0.229 0.000 0.988 247 E CA 1.124 57.337 56.400 -0.312 0.000 0.811 247 E CB -0.170 29.325 29.700 -0.341 0.000 0.746 247 E HN 0.490 nan 8.360 nan 0.000 0.466 248 A N -0.213 122.502 122.820 -0.176 0.000 2.119 248 A HA 0.216 4.535 4.320 -0.000 0.000 0.216 248 A C 1.763 179.220 177.584 -0.213 0.000 1.152 248 A CA 1.419 53.376 52.037 -0.132 0.000 0.708 248 A CB 0.085 19.052 19.000 -0.054 0.000 0.805 248 A HN 0.327 nan 8.150 nan 0.000 0.460 249 G N -2.720 105.903 108.800 -0.295 0.000 2.273 249 G HA2 0.260 4.220 3.960 -0.000 0.000 0.162 249 G HA3 0.260 4.220 3.960 -0.000 0.000 0.162 249 G C 0.356 175.107 174.900 -0.247 0.000 1.006 249 G CA 0.008 44.904 45.100 -0.340 0.000 0.704 249 G HN 1.327 nan 8.290 nan 0.000 0.487 250 A N 1.054 123.760 122.820 -0.189 0.000 2.483 250 A HA 0.608 4.928 4.320 -0.000 0.000 0.238 250 A C 1.155 178.629 177.584 -0.182 0.000 1.070 250 A CA 1.281 53.215 52.037 -0.171 0.000 0.770 250 A CB 0.027 18.941 19.000 -0.144 0.000 1.008 250 A HN 1.682 nan 8.150 nan 0.000 0.497 251 T N -0.687 113.759 114.554 -0.179 0.000 2.849 251 T HA 0.503 4.853 4.350 -0.000 0.000 0.284 251 T C 1.401 176.007 174.700 -0.157 0.000 1.004 251 T CA -0.090 61.917 62.100 -0.156 0.000 1.021 251 T CB 1.148 69.933 68.868 -0.138 0.000 1.013 251 T HN 1.288 nan 8.240 nan 0.000 0.527 252 A N 1.727 124.462 122.820 -0.142 0.000 1.917 252 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 252 A C 2.128 179.618 177.584 -0.157 0.000 1.182 252 A CA 2.052 53.995 52.037 -0.157 0.000 0.633 252 A CB -1.128 17.770 19.000 -0.170 0.000 0.819 252 A HN 1.026 nan 8.150 nan 0.000 0.448 253 D N -0.004 120.324 120.400 -0.121 0.000 2.117 253 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 253 D C 1.798 178.050 176.300 -0.081 0.000 0.987 253 D CA 1.324 55.293 54.000 -0.051 0.000 0.829 253 D CB -0.508 40.322 40.800 0.050 0.000 0.961 253 D HN 0.367 nan 8.370 nan 0.000 0.460 254 I N 1.489 121.891 120.570 -0.280 0.000 2.233 254 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 254 I C 2.617 178.458 176.117 -0.460 0.000 1.093 254 I CA 0.808 61.730 61.300 -0.629 0.000 1.380 254 I CB -1.062 36.538 38.000 -0.666 0.000 1.067 254 I HN 0.167 nan 8.210 nan 0.000 0.413 255 E N 0.863 120.940 120.200 -0.206 0.000 2.058 255 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 255 E C 2.348 179.050 176.600 0.170 0.000 0.997 255 E CA 1.522 57.922 56.400 -0.000 0.000 0.801 255 E CB 0.007 29.724 29.700 0.028 0.000 0.746 255 E HN 0.377 nan 8.360 nan 0.000 0.450 256 M N 0.388 120.024 119.600 0.061 0.000 2.067 256 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 256 M C 2.566 179.001 176.300 0.224 0.000 1.069 256 M CA 1.584 56.951 55.300 0.111 0.000 1.117 256 M CB -0.335 32.204 32.600 -0.103 0.000 1.334 256 M HN 0.202 nan 8.290 nan 0.000 0.407 257 A N 0.181 123.078 122.820 0.130 0.000 1.873 257 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 257 A C 1.962 179.722 177.584 0.294 0.000 1.193 257 A CA 1.736 53.883 52.037 0.183 0.000 0.629 257 A CB -1.197 17.868 19.000 0.108 0.000 0.826 257 A HN 0.465 nan 8.150 nan 0.000 0.447 258 Y N 0.759 121.123 120.300 0.107 0.000 2.181 258 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 258 Y C 3.013 179.002 175.900 0.149 0.000 1.146 258 Y CA 1.274 59.429 58.100 0.092 0.000 1.164 258 Y CB -1.622 36.865 38.460 0.045 0.000 0.982 258 Y HN 0.323 nan 8.280 nan 0.000 0.515 259 T N 0.684 115.462 114.554 0.372 0.000 2.777 259 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 259 T C 2.255 177.192 174.700 0.396 0.000 1.040 259 T CA 1.205 63.503 62.100 0.329 0.000 1.141 259 T CB -0.588 68.463 68.868 0.304 0.000 0.868 259 T HN 0.190 nan 8.240 nan 0.000 0.444 260 L N 0.800 122.289 121.223 0.442 0.000 2.056 260 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 260 L C 3.080 180.237 176.870 0.478 0.000 1.078 260 L CA 1.211 56.357 54.840 0.509 0.000 0.749 260 L CB -0.698 41.642 42.059 0.468 0.000 0.901 260 L HN 0.235 nan 8.230 nan 0.000 0.433 261 A N -0.161 122.858 122.820 0.332 0.000 1.930 261 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 261 A C 1.911 179.604 177.584 0.182 0.000 1.175 261 A CA 1.801 53.977 52.037 0.231 0.000 0.627 261 A CB -0.479 18.619 19.000 0.162 0.000 0.815 261 A HN 0.344 nan 8.150 nan 0.000 0.443 262 D N -0.033 120.461 120.400 0.158 0.000 2.104 262 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 262 D C 2.087 178.433 176.300 0.076 0.000 0.994 262 D CA 1.596 55.607 54.000 0.018 0.000 0.830 262 D CB -0.844 39.995 40.800 0.066 0.000 0.959 262 D HN 0.428 nan 8.370 nan 0.000 0.452 263 G N 0.741 109.749 108.800 0.347 0.000 2.442 263 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 263 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 263 G C 1.895 177.149 174.900 0.590 0.000 1.141 263 G CA 0.890 46.313 45.100 0.539 0.000 0.763 263 G HN 0.242 nan 8.290 nan 0.000 0.554 264 V N 1.199 121.402 119.914 0.482 0.000 2.255 264 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 264 V C 2.583 178.810 176.094 0.222 0.000 1.051 264 V CA 2.440 64.946 62.300 0.344 0.000 1.018 264 V CB -0.561 31.455 31.823 0.322 0.000 0.641 264 V HN 0.293 nan 8.190 nan 0.000 0.445 265 D N -1.330 119.130 120.400 0.101 0.000 2.123 265 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 265 D C 2.052 178.375 176.300 0.037 0.000 0.992 265 D CA 1.372 55.366 54.000 -0.011 0.000 0.833 265 D CB -0.266 40.422 40.800 -0.186 0.000 0.954 265 D HN 0.539 nan 8.370 nan 0.000 0.455 266 Y N 0.461 120.902 120.300 0.235 0.000 2.224 266 Y HA -0.054 4.496 4.550 -0.000 0.000 0.289 266 Y C 2.242 178.381 175.900 0.399 0.000 1.146 266 Y CA 0.396 58.710 58.100 0.356 0.000 1.182 266 Y CB -0.598 38.109 38.460 0.412 0.000 0.983 266 Y HN 0.048 nan 8.280 nan 0.000 0.524 267 I N -0.408 120.385 120.570 0.372 0.000 2.179 267 I HA -0.318 3.851 4.170 -0.000 0.000 0.242 267 I C 2.482 178.708 176.117 0.182 0.000 1.088 267 I CA 1.337 62.748 61.300 0.185 0.000 1.357 267 I CB -0.441 37.259 38.000 -0.500 0.000 1.051 267 I HN 0.097 nan 8.210 nan 0.000 0.409 268 R N 0.816 121.402 120.500 0.143 0.000 2.096 268 R HA -0.199 4.140 4.340 -0.000 0.000 0.240 268 R C 2.472 178.868 176.300 0.159 0.000 1.139 268 R CA 1.728 57.936 56.100 0.180 0.000 0.952 268 R CB -0.580 29.823 30.300 0.171 0.000 0.854 268 R HN 0.407 nan 8.270 nan 0.000 0.436 269 A N 0.503 123.434 122.820 0.184 0.000 1.940 269 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 269 A C 2.359 180.018 177.584 0.124 0.000 1.176 269 A CA 1.856 53.983 52.037 0.150 0.000 0.631 269 A CB -1.033 18.074 19.000 0.179 0.000 0.814 269 A HN 0.506 nan 8.150 nan 0.000 0.446 270 G N -0.685 108.181 108.800 0.111 0.000 2.402 270 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 270 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 270 G C 1.439 176.217 174.900 -0.204 0.000 1.162 270 G CA 0.877 45.746 45.100 -0.385 0.000 0.777 270 G HN 0.638 nan 8.290 nan 0.000 0.539 271 E N 0.893 121.123 120.200 0.051 0.000 2.051 271 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 271 E C 2.897 179.537 176.600 0.066 0.000 0.991 271 E CA 1.427 57.897 56.400 0.116 0.000 0.799 271 E CB -0.226 29.586 29.700 0.187 0.000 0.748 271 E HN 0.553 nan 8.360 nan 0.000 0.449 272 S N 0.833 116.567 115.700 0.058 0.000 2.462 272 S HA -0.129 4.341 4.470 -0.000 0.000 0.243 272 S C 1.945 176.553 174.600 0.013 0.000 1.003 272 S CA 1.270 59.491 58.200 0.036 0.000 0.970 272 S CB -0.448 62.770 63.200 0.030 0.000 0.762 272 S HN 0.220 nan 8.310 nan 0.000 0.510 273 V N -2.928 116.985 119.914 -0.003 0.000 3.444 273 V HA 0.723 4.843 4.120 -0.000 0.000 0.308 273 V C 1.235 177.328 176.094 -0.001 0.000 1.371 273 V CA 0.028 62.322 62.300 -0.010 0.000 1.141 273 V CB -0.819 30.991 31.823 -0.022 0.000 1.037 273 V HN 0.821 nan 8.190 nan 0.000 0.433 274 G N 0.751 109.558 108.800 0.012 0.000 2.130 274 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 274 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 274 G C -0.279 174.643 174.900 0.038 0.000 0.999 274 G CA 0.215 45.331 45.100 0.028 0.000 0.686 274 G HN 0.574 nan 8.290 nan 0.000 0.515 275 L N 0.959 122.198 121.223 0.027 0.000 2.289 275 L HA 0.408 4.748 4.340 -0.000 0.000 0.285 275 L C 0.883 177.865 176.870 0.188 0.000 1.049 275 L CA -1.011 53.874 54.840 0.075 0.000 0.804 275 L CB 1.253 43.292 42.059 -0.032 0.000 1.195 275 L HN 0.292 nan 8.230 nan 0.000 0.428 276 N N 1.700 120.508 118.700 0.180 0.000 2.482 276 N HA -0.026 4.714 4.740 -0.000 0.000 0.260 276 N C 0.943 176.599 175.510 0.243 0.000 1.236 276 N CA 0.011 53.166 53.050 0.174 0.000 0.938 276 N CB 1.736 40.291 38.487 0.114 0.000 1.128 276 N HN 0.496 nan 8.380 nan 0.000 0.448 277 V N 2.702 122.708 119.914 0.153 0.000 2.324 277 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 277 V C 1.265 177.237 176.094 -0.204 0.000 1.060 277 V CA 2.117 64.364 62.300 -0.088 0.000 1.042 277 V CB -0.468 31.288 31.823 -0.112 0.000 0.650 277 V HN 0.697 nan 8.190 nan 0.000 0.450 278 D N -0.734 119.632 120.400 -0.056 0.000 2.378 278 D HA -0.148 4.492 4.640 -0.000 0.000 0.222 278 D C 2.043 178.343 176.300 -0.001 0.000 0.980 278 D CA 0.897 54.871 54.000 -0.043 0.000 0.907 278 D CB -0.090 40.716 40.800 0.010 0.000 0.899 278 D HN 0.656 nan 8.370 nan 0.000 0.527 279 Q N -0.726 119.124 119.800 0.083 0.000 2.432 279 Q HA 0.001 4.340 4.340 -0.000 0.000 0.205 279 Q C 1.137 177.258 176.000 0.202 0.000 0.945 279 Q CA 0.539 56.425 55.803 0.139 0.000 0.924 279 Q CB 0.166 29.004 28.738 0.167 0.000 1.016 279 Q HN 0.473 nan 8.270 nan 0.000 0.503 280 F N -4.322 115.591 119.950 -0.061 0.000 2.897 280 F HA 0.547 5.074 4.527 -0.000 0.000 0.364 280 F C 1.629 177.337 175.800 -0.154 0.000 0.940 280 F CA 0.024 57.946 58.000 -0.130 0.000 1.106 280 F CB -0.457 38.392 39.000 -0.253 0.000 1.034 280 F HN -0.144 nan 8.300 nan 0.000 0.583 281 A N 2.143 124.453 122.820 -0.850 0.000 1.883 281 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 281 A C -0.197 177.279 177.584 -0.181 0.000 1.186 281 A CA 2.099 53.798 52.037 -0.564 0.000 0.624 281 A CB -2.228 16.482 19.000 -0.483 0.000 0.822 281 A HN 0.359 nan 8.150 nan 0.000 0.444 282 P HA -0.127 nan 4.420 nan 0.000 0.223 282 P C 0.887 178.191 177.300 0.006 0.000 1.144 282 P CA 0.984 64.078 63.100 -0.010 0.000 0.783 282 P CB -0.042 31.665 31.700 0.011 0.000 0.771 283 R N -1.131 119.366 120.500 -0.006 0.000 2.393 283 R HA 0.283 4.623 4.340 -0.000 0.000 0.244 283 R C 0.512 176.796 176.300 -0.027 0.000 0.920 283 R CA -0.432 55.672 56.100 0.006 0.000 1.076 283 R CB -0.487 29.848 30.300 0.058 0.000 1.119 283 R HN 0.306 nan 8.270 nan 0.000 0.524 284 L N 1.602 122.794 121.223 -0.052 0.000 2.331 284 L HA 0.219 4.559 4.340 -0.000 0.000 0.278 284 L C 0.708 177.501 176.870 -0.127 0.000 1.106 284 L CA -0.171 54.608 54.840 -0.102 0.000 0.824 284 L CB 1.179 43.208 42.059 -0.050 0.000 1.142 284 L HN 0.025 nan 8.230 nan 0.000 0.443 285 S N 2.326 117.875 115.700 -0.253 0.000 2.634 285 S HA 0.768 5.238 4.470 -0.000 0.000 0.296 285 S C -0.862 173.464 174.600 -0.457 0.000 1.104 285 S CA -0.700 57.374 58.200 -0.209 0.000 0.920 285 S CB 1.856 64.963 63.200 -0.155 0.000 1.111 285 S HN 0.266 nan 8.310 nan 0.000 0.493 286 F N 0.551 120.340 119.950 -0.268 0.000 2.613 286 F HA 0.825 5.352 4.527 -0.000 0.000 0.342 286 F C -0.589 175.054 175.800 -0.263 0.000 1.066 286 F CA -1.052 56.714 58.000 -0.390 0.000 1.002 286 F CB 1.794 40.416 39.000 -0.630 0.000 1.319 286 F HN 0.642 nan 8.300 nan 0.000 0.495 287 F N 1.570 121.251 119.950 -0.450 0.000 2.991 287 F HA 0.371 4.898 4.527 -0.000 0.000 0.355 287 F C -2.125 173.429 175.800 -0.412 0.000 1.262 287 F CA -1.695 56.120 58.000 -0.309 0.000 1.127 287 F CB 0.468 39.401 39.000 -0.111 0.000 1.447 287 F HN 0.443 nan 8.300 nan 0.000 0.584 288 W N 4.049 125.492 121.300 0.238 0.000 2.516 288 W HA 0.710 5.370 4.660 -0.000 0.000 0.343 288 W C 0.553 177.076 176.519 0.008 0.000 1.094 288 W CA -1.199 56.160 57.345 0.024 0.000 1.250 288 W CB 1.813 31.283 29.460 0.017 0.000 1.308 288 W HN 0.873 nan 8.180 nan 0.000 0.588 289 G N 1.884 110.847 108.800 0.272 0.000 2.425 289 G HA2 0.634 4.594 3.960 -0.000 0.000 0.302 289 G HA3 0.634 4.594 3.960 -0.000 0.000 0.302 289 G C -1.208 173.797 174.900 0.175 0.000 1.159 289 G CA -0.603 44.643 45.100 0.244 0.000 0.865 289 G HN 0.319 nan 8.290 nan 0.000 0.515 290 I N 2.140 122.809 120.570 0.165 0.000 2.493 290 I HA 0.317 4.487 4.170 -0.000 0.000 0.279 290 I C 0.888 177.055 176.117 0.083 0.000 1.045 290 I CA -0.631 60.712 61.300 0.073 0.000 1.106 290 I CB 0.625 38.650 38.000 0.041 0.000 1.216 290 I HN 0.580 nan 8.210 nan 0.000 0.459 291 G N 5.080 113.914 108.800 0.056 0.000 2.510 291 G HA2 0.384 4.344 3.960 -0.000 0.000 0.280 291 G HA3 0.384 4.344 3.960 -0.000 0.000 0.280 291 G C 0.878 175.837 174.900 0.098 0.000 1.386 291 G CA -0.439 44.721 45.100 0.101 0.000 1.047 291 G HN 0.377 nan 8.290 nan 0.000 0.527 292 M N 0.178 119.859 119.600 0.136 0.000 2.460 292 M HA 0.010 4.490 4.480 -0.000 0.000 0.263 292 M C 1.110 177.502 176.300 0.153 0.000 1.071 292 M CA 0.362 55.744 55.300 0.138 0.000 1.096 292 M CB -0.973 31.713 32.600 0.143 0.000 1.408 292 M HN 0.410 nan 8.290 nan 0.000 0.463 293 N N 1.268 120.059 118.700 0.151 0.000 2.739 293 N HA -0.037 4.703 4.740 -0.000 0.000 0.266 293 N C 0.661 176.235 175.510 0.107 0.000 1.168 293 N CA -0.103 53.062 53.050 0.192 0.000 1.055 293 N CB -0.173 38.425 38.487 0.186 0.000 1.393 293 N HN 0.096 nan 8.380 nan 0.000 0.514 294 F N 3.142 123.047 119.950 -0.074 0.000 2.032 294 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 294 F C 1.189 176.726 175.800 -0.437 0.000 1.125 294 F CA 1.934 59.755 58.000 -0.298 0.000 1.202 294 F CB -0.327 38.394 39.000 -0.465 0.000 0.958 294 F HN 0.356 nan 8.300 nan 0.000 0.491 295 F N -0.527 119.418 119.950 -0.008 0.000 2.171 295 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 295 F C 2.394 177.945 175.800 -0.416 0.000 1.090 295 F CA 1.622 59.431 58.000 -0.319 0.000 1.293 295 F CB -0.967 37.819 39.000 -0.356 0.000 1.013 295 F HN 0.097 nan 8.300 nan 0.000 0.486 296 M N 0.232 119.766 119.600 -0.110 0.000 2.175 296 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 296 M C 2.013 178.164 176.300 -0.248 0.000 1.063 296 M CA 1.670 56.864 55.300 -0.176 0.000 1.119 296 M CB -0.406 32.136 32.600 -0.097 0.000 1.377 296 M HN -0.048 nan 8.290 nan 0.000 0.415 297 E N -0.621 119.410 120.200 -0.282 0.000 2.072 297 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 297 E C 2.189 178.553 176.600 -0.392 0.000 0.985 297 E CA 1.492 57.700 56.400 -0.319 0.000 0.801 297 E CB -0.747 28.789 29.700 -0.274 0.000 0.750 297 E HN 0.413 nan 8.360 nan 0.000 0.452 298 V N 1.918 121.522 119.914 -0.516 0.000 2.255 298 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 298 V C 2.518 178.411 176.094 -0.335 0.000 1.051 298 V CA 2.001 64.023 62.300 -0.463 0.000 1.018 298 V CB -0.956 30.497 31.823 -0.616 0.000 0.641 298 V HN 0.257 nan 8.190 nan 0.000 0.445 299 A N -0.266 122.363 122.820 -0.318 0.000 1.902 299 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 299 A C 2.326 179.729 177.584 -0.302 0.000 1.181 299 A CA 2.284 54.160 52.037 -0.269 0.000 0.623 299 A CB -0.552 18.294 19.000 -0.257 0.000 0.818 299 A HN 0.553 nan 8.150 nan 0.000 0.443 300 K N -0.750 119.444 120.400 -0.343 0.000 2.020 300 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 300 K C 1.791 178.068 176.600 -0.537 0.000 1.050 300 K CA 1.812 57.837 56.287 -0.437 0.000 0.929 300 K CB -0.347 31.868 32.500 -0.474 0.000 0.714 300 K HN 0.301 nan 8.250 nan 0.000 0.443 301 L N 1.108 122.034 121.223 -0.494 0.000 2.083 301 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 301 L C 2.458 179.157 176.870 -0.285 0.000 1.083 301 L CA 1.669 56.259 54.840 -0.416 0.000 0.752 301 L CB -0.348 41.564 42.059 -0.245 0.000 0.899 301 L HN 0.170 nan 8.230 nan 0.000 0.433 302 R N -1.114 119.224 120.500 -0.270 0.000 2.062 302 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 302 R C 2.333 178.439 176.300 -0.324 0.000 1.128 302 R CA 1.166 57.108 56.100 -0.264 0.000 0.960 302 R CB -0.661 29.485 30.300 -0.255 0.000 0.855 302 R HN 0.353 nan 8.270 nan 0.000 0.432 303 A N 1.595 124.211 122.820 -0.341 0.000 1.877 303 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 303 A C 2.426 179.864 177.584 -0.243 0.000 1.186 303 A CA 1.712 53.554 52.037 -0.325 0.000 0.620 303 A CB -0.783 18.052 19.000 -0.274 0.000 0.822 303 A HN 0.388 nan 8.150 nan 0.000 0.443 304 A N -0.149 122.502 122.820 -0.281 0.000 1.908 304 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 304 A C 2.244 179.784 177.584 -0.072 0.000 1.181 304 A CA 1.661 53.583 52.037 -0.192 0.000 0.627 304 A CB -0.517 18.255 19.000 -0.380 0.000 0.818 304 A HN 0.573 nan 8.150 nan 0.000 0.445 305 R N -1.144 119.309 120.500 -0.079 0.000 2.081 305 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 305 R C 2.294 178.630 176.300 0.060 0.000 1.131 305 R CA 1.739 57.848 56.100 0.015 0.000 0.960 305 R CB -0.418 29.888 30.300 0.010 0.000 0.856 305 R HN 0.560 nan 8.270 nan 0.000 0.436 306 M N 0.503 120.067 119.600 -0.060 0.000 2.117 306 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 306 M C 2.273 178.575 176.300 0.003 0.000 1.065 306 M CA 1.619 56.876 55.300 -0.072 0.000 1.114 306 M CB -0.287 32.168 32.600 -0.242 0.000 1.361 306 M HN 0.142 nan 8.290 nan 0.000 0.408 307 L N -1.247 120.001 121.223 0.042 0.000 2.083 307 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 307 L C 2.429 179.484 176.870 0.308 0.000 1.083 307 L CA 1.335 56.279 54.840 0.173 0.000 0.752 307 L CB -0.743 41.467 42.059 0.252 0.000 0.899 307 L HN 0.596 nan 8.230 nan 0.000 0.433 308 W N 0.945 122.290 121.300 0.075 0.000 2.381 308 W HA -0.190 4.470 4.660 -0.000 0.000 0.301 308 W C 2.427 179.031 176.519 0.143 0.000 1.205 308 W CA 1.236 58.639 57.345 0.096 0.000 1.285 308 W CB 0.112 29.541 29.460 -0.051 0.000 1.133 308 W HN 0.169 nan 8.180 nan 0.000 0.521 309 A N 0.898 123.809 122.820 0.151 0.000 1.858 309 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 309 A C 1.971 179.567 177.584 0.019 0.000 1.190 309 A CA 2.105 54.188 52.037 0.077 0.000 0.617 309 A CB -1.115 17.991 19.000 0.177 0.000 0.827 309 A HN 0.322 nan 8.150 nan 0.000 0.443 310 K N -0.394 120.026 120.400 0.034 0.000 2.015 310 K HA -0.173 4.147 4.320 -0.000 0.000 0.216 310 K C 1.939 178.623 176.600 0.140 0.000 1.052 310 K CA 1.912 58.223 56.287 0.040 0.000 0.937 310 K CB -0.404 32.044 32.500 -0.086 0.000 0.719 310 K HN 0.457 nan 8.250 nan 0.000 0.446 311 L N 0.284 121.625 121.223 0.197 0.000 2.046 311 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 311 L C 2.378 179.306 176.870 0.097 0.000 1.077 311 L CA 0.954 55.923 54.840 0.215 0.000 0.747 311 L CB -0.297 41.908 42.059 0.245 0.000 0.896 311 L HN 0.091 nan 8.230 nan 0.000 0.432 312 V N -1.249 118.558 119.914 -0.178 0.000 2.548 312 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 312 V C 2.404 178.581 176.094 0.139 0.000 1.055 312 V CA 1.522 63.736 62.300 -0.144 0.000 1.065 312 V CB -0.721 30.778 31.823 -0.540 0.000 0.681 312 V HN 0.450 nan 8.190 nan 0.000 0.462 313 H N 1.162 120.231 119.070 -0.002 0.000 2.390 313 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 313 H C 2.336 177.668 175.328 0.006 0.000 1.106 313 H CA 2.028 58.083 56.048 0.013 0.000 1.297 313 H CB -0.231 29.530 29.762 -0.002 0.000 1.375 313 H HN 0.524 nan 8.280 nan 0.000 0.509 314 Q N -1.201 118.571 119.800 -0.047 0.000 2.376 314 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 314 Q C 1.284 177.039 176.000 -0.410 0.000 0.986 314 Q CA 1.305 56.956 55.803 -0.253 0.000 0.886 314 Q CB -0.133 28.418 28.738 -0.312 0.000 0.927 314 Q HN 0.493 nan 8.270 nan 0.000 0.457 315 F N -0.537 119.378 119.950 -0.057 0.000 2.776 315 F HA 0.228 4.755 4.527 -0.000 0.000 0.300 315 F C 1.325 177.098 175.800 -0.045 0.000 1.116 315 F CA 0.372 58.349 58.000 -0.039 0.000 1.375 315 F CB 0.335 39.312 39.000 -0.038 0.000 1.109 315 F HN 0.032 nan 8.300 nan 0.000 0.585 316 G N 2.134 110.952 108.800 0.031 0.000 2.370 316 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.295 316 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.295 316 G C -2.466 172.464 174.900 0.049 0.000 1.045 316 G CA -0.732 44.360 45.100 -0.014 0.000 1.199 316 G HN 0.138 nan 8.290 nan 0.000 0.513 317 P HA 0.345 nan 4.420 nan 0.000 0.271 317 P C 0.461 177.811 177.300 0.083 0.000 1.216 317 P CA -0.220 62.928 63.100 0.079 0.000 0.771 317 P CB 1.345 33.098 31.700 0.088 0.000 0.864 318 K N 0.848 121.285 120.400 0.062 0.000 2.352 318 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 318 K C 0.688 177.325 176.600 0.062 0.000 1.038 318 K CA 0.427 56.750 56.287 0.060 0.000 1.023 318 K CB -0.127 32.401 32.500 0.047 0.000 0.840 318 K HN 0.357 nan 8.250 nan 0.000 0.519 319 N N 0.840 119.576 118.700 0.060 0.000 2.419 319 N HA 0.132 4.871 4.740 -0.000 0.000 0.277 319 N C -2.123 173.442 175.510 0.091 0.000 1.006 319 N CA -2.059 51.030 53.050 0.065 0.000 0.923 319 N CB 1.618 40.133 38.487 0.047 0.000 1.140 319 N HN -0.160 nan 8.380 nan 0.000 0.488 320 P HA -0.095 nan 4.420 nan 0.000 0.218 320 P C 0.696 178.136 177.300 0.233 0.000 1.149 320 P CA 1.264 64.481 63.100 0.194 0.000 0.817 320 P CB 0.558 32.372 31.700 0.191 0.000 0.785 321 K N -0.056 120.429 120.400 0.142 0.000 2.152 321 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 321 K C 2.307 178.929 176.600 0.037 0.000 1.048 321 K CA 1.407 57.737 56.287 0.072 0.000 0.933 321 K CB -0.506 32.037 32.500 0.071 0.000 0.721 321 K HN 0.068 nan 8.250 nan 0.000 0.447 322 S N 1.090 116.810 115.700 0.034 0.000 2.402 322 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 322 S C 1.683 176.287 174.600 0.007 0.000 1.030 322 S CA 1.371 59.565 58.200 -0.010 0.000 1.003 322 S CB -0.091 63.084 63.200 -0.041 0.000 0.813 322 S HN 0.309 nan 8.310 nan 0.000 0.477 323 M N 1.318 120.951 119.600 0.055 0.000 2.495 323 M HA 0.103 4.583 4.480 -0.000 0.000 0.237 323 M C 0.438 176.791 176.300 0.088 0.000 1.131 323 M CA -0.099 55.235 55.300 0.057 0.000 1.032 323 M CB 0.048 32.775 32.600 0.212 0.000 1.513 323 M HN 0.166 nan 8.290 nan 0.000 0.488 324 S N 1.312 116.903 115.700 -0.181 0.000 2.489 324 S HA 0.408 4.878 4.470 -0.000 0.000 0.277 324 S C -0.435 174.145 174.600 -0.035 0.000 1.230 324 S CA -0.800 57.017 58.200 -0.637 0.000 1.053 324 S CB 1.162 63.827 63.200 -0.893 0.000 0.955 324 S HN 0.423 nan 8.310 nan 0.000 0.488 325 L N 4.502 125.718 121.223 -0.011 0.000 2.282 325 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 325 L C -0.146 176.680 176.870 -0.072 0.000 1.075 325 L CA -0.570 54.250 54.840 -0.033 0.000 0.839 325 L CB 0.129 42.086 42.059 -0.170 0.000 1.219 325 L HN 0.736 nan 8.230 nan 0.000 0.434 326 R N 3.237 123.742 120.500 0.008 0.000 2.255 326 R HA 0.426 4.766 4.340 -0.000 0.000 0.326 326 R C -0.434 175.918 176.300 0.086 0.000 0.986 326 R CA -0.402 55.701 56.100 0.005 0.000 0.847 326 R CB 1.730 32.044 30.300 0.023 0.000 1.111 326 R HN 0.420 nan 8.270 nan 0.000 0.452 327 T N 0.969 115.586 114.554 0.105 0.000 2.907 327 T HA 0.248 4.598 4.350 -0.000 0.000 0.292 327 T C -1.400 173.397 174.700 0.163 0.000 1.043 327 T CA -0.691 61.490 62.100 0.136 0.000 1.003 327 T CB 0.999 69.985 68.868 0.197 0.000 1.084 327 T HN 0.624 nan 8.240 nan 0.000 0.483 328 H N 0.931 120.020 119.070 0.032 0.000 2.502 328 H HA 0.782 5.337 4.556 -0.000 0.000 0.338 328 H C -0.766 174.654 175.328 0.154 0.000 1.155 328 H CA -0.125 55.915 56.048 -0.012 0.000 1.237 328 H CB 1.209 30.805 29.762 -0.277 0.000 1.534 328 H HN 0.487 nan 8.280 nan 0.000 0.523 329 S N 2.408 117.791 115.700 -0.528 0.000 2.569 329 S HA 0.329 4.799 4.470 -0.000 0.000 0.280 329 S C -1.438 172.975 174.600 -0.311 0.000 1.111 329 S CA -0.862 57.258 58.200 -0.134 0.000 0.887 329 S CB 1.944 65.132 63.200 -0.019 0.000 1.095 329 S HN 0.700 nan 8.310 nan 0.000 0.476 330 Q N 1.543 121.411 119.800 0.113 0.000 2.305 330 Q HA 0.473 4.813 4.340 -0.000 0.000 0.271 330 Q C -0.657 175.501 176.000 0.262 0.000 1.046 330 Q CA -0.685 55.196 55.803 0.130 0.000 0.798 330 Q CB 1.479 30.184 28.738 -0.054 0.000 1.286 330 Q HN 0.792 nan 8.270 nan 0.000 0.435 331 T N 0.550 115.236 114.554 0.219 0.000 2.932 331 T HA 0.090 4.439 4.350 -0.000 0.000 0.312 331 T C 0.439 175.342 174.700 0.338 0.000 1.071 331 T CA -0.375 61.854 62.100 0.214 0.000 1.128 331 T CB 1.217 70.168 68.868 0.138 0.000 0.984 331 T HN 0.473 nan 8.240 nan 0.000 0.549 332 S N 1.958 117.824 115.700 0.277 0.000 2.481 332 S HA 0.331 4.801 4.470 -0.000 0.000 0.282 332 S C 1.656 176.414 174.600 0.263 0.000 1.243 332 S CA -0.281 58.083 58.200 0.274 0.000 1.078 332 S CB -0.343 62.977 63.200 0.201 0.000 0.916 332 S HN 0.950 nan 8.310 nan 0.000 0.495 333 G N 4.423 113.421 108.800 0.329 0.000 2.408 333 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 333 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 333 G C 1.025 176.040 174.900 0.191 0.000 1.150 333 G CA 0.500 45.762 45.100 0.270 0.000 0.776 333 G HN 0.882 nan 8.290 nan 0.000 0.542 334 W N 2.576 123.914 121.300 0.064 0.000 2.342 334 W HA -0.211 4.449 4.660 -0.000 0.000 0.297 334 W C 2.856 179.397 176.519 0.036 0.000 1.213 334 W CA 2.549 59.913 57.345 0.032 0.000 1.251 334 W CB -0.182 29.271 29.460 -0.012 0.000 1.136 334 W HN 0.263 nan 8.180 nan 0.000 0.526 335 S N 0.019 115.677 115.700 -0.071 0.000 2.474 335 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 335 S C 0.811 175.278 174.600 -0.222 0.000 0.997 335 S CA 0.441 58.502 58.200 -0.230 0.000 0.949 335 S CB -0.787 62.452 63.200 0.065 0.000 0.766 335 S HN 0.165 nan 8.310 nan 0.000 0.517 336 L N 2.586 123.726 121.223 -0.138 0.000 2.350 336 L HA 0.433 4.773 4.340 -0.000 0.000 0.275 336 L C 0.684 177.467 176.870 -0.144 0.000 1.099 336 L CA -0.550 54.233 54.840 -0.095 0.000 0.808 336 L CB 1.195 43.243 42.059 -0.019 0.000 1.149 336 L HN 0.267 nan 8.230 nan 0.000 0.442 337 T N -1.507 112.983 114.554 -0.107 0.000 2.950 337 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 337 T C 0.539 175.208 174.700 -0.052 0.000 1.035 337 T CA -0.280 61.762 62.100 -0.096 0.000 1.028 337 T CB 2.022 70.841 68.868 -0.080 0.000 1.109 337 T HN 0.600 nan 8.240 nan 0.000 0.514 338 A N 0.382 123.179 122.820 -0.037 0.000 2.238 338 A HA 0.328 4.648 4.320 -0.000 0.000 0.210 338 A C 0.631 178.217 177.584 0.004 0.000 1.179 338 A CA 0.088 52.117 52.037 -0.012 0.000 0.827 338 A CB -0.298 18.703 19.000 0.002 0.000 0.856 338 A HN 0.733 nan 8.150 nan 0.000 0.488 339 Q N -0.413 119.390 119.800 0.006 0.000 2.309 339 Q HA 0.468 4.808 4.340 -0.000 0.000 0.264 339 Q C -0.692 175.328 176.000 0.033 0.000 1.008 339 Q CA -0.373 55.445 55.803 0.025 0.000 0.853 339 Q CB 1.316 30.068 28.738 0.023 0.000 1.314 339 Q HN 0.268 nan 8.270 nan 0.000 0.448 340 D N 0.689 121.124 120.400 0.059 0.000 2.735 340 D HA -0.158 4.482 4.640 -0.000 0.000 0.235 340 D C 0.587 176.940 176.300 0.088 0.000 1.175 340 D CA 0.843 54.896 54.000 0.088 0.000 0.683 340 D CB -0.478 40.369 40.800 0.078 0.000 1.008 340 D HN 0.485 nan 8.370 nan 0.000 0.416 341 V N -1.143 118.815 119.914 0.074 0.000 2.688 341 V HA -0.279 3.841 4.120 -0.000 0.000 0.256 341 V C 1.919 177.950 176.094 -0.105 0.000 1.084 341 V CA 1.602 63.886 62.300 -0.027 0.000 1.103 341 V CB -0.972 30.788 31.823 -0.106 0.000 0.688 341 V HN 0.425 nan 8.190 nan 0.000 0.480 342 Y N 1.498 121.821 120.300 0.039 0.000 2.516 342 Y HA 0.109 4.658 4.550 -0.000 0.000 0.291 342 Y C 2.409 178.324 175.900 0.025 0.000 1.131 342 Y CA 1.105 59.228 58.100 0.039 0.000 1.281 342 Y CB -0.594 37.895 38.460 0.049 0.000 1.013 342 Y HN 0.329 nan 8.280 nan 0.000 0.554 343 N N 0.097 118.869 118.700 0.120 0.000 2.381 343 N HA -0.143 4.597 4.740 -0.000 0.000 0.182 343 N C 1.171 176.701 175.510 0.034 0.000 1.025 343 N CA 0.728 53.821 53.050 0.072 0.000 0.888 343 N CB -0.336 38.188 38.487 0.061 0.000 0.965 343 N HN 0.408 nan 8.380 nan 0.000 0.438 344 N N 0.663 119.363 118.700 -0.000 0.000 2.223 344 N HA -0.073 4.667 4.740 -0.000 0.000 0.185 344 N C 1.778 177.280 175.510 -0.015 0.000 1.016 344 N CA 0.502 53.540 53.050 -0.020 0.000 0.863 344 N CB -0.351 38.105 38.487 -0.052 0.000 0.983 344 N HN 0.061 nan 8.380 nan 0.000 0.429 345 V N 0.847 120.750 119.914 -0.018 0.000 2.332 345 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 345 V C 2.423 178.525 176.094 0.013 0.000 1.055 345 V CA 1.227 63.522 62.300 -0.009 0.000 1.038 345 V CB -0.527 31.303 31.823 0.013 0.000 0.651 345 V HN 0.068 nan 8.190 nan 0.000 0.450 346 V N 0.023 119.954 119.914 0.028 0.000 2.323 346 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 346 V C 2.584 178.702 176.094 0.040 0.000 1.041 346 V CA 1.925 64.245 62.300 0.033 0.000 1.025 346 V CB -0.810 31.035 31.823 0.037 0.000 0.656 346 V HN 0.481 nan 8.190 nan 0.000 0.451 347 R N 0.232 120.754 120.500 0.037 0.000 2.094 347 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 347 R C 2.367 178.701 176.300 0.056 0.000 1.137 347 R CA 2.094 58.220 56.100 0.044 0.000 0.943 347 R CB -1.139 29.180 30.300 0.031 0.000 0.850 347 R HN 0.479 nan 8.270 nan 0.000 0.433 348 T N 0.652 115.233 114.554 0.045 0.000 2.788 348 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 348 T C 2.064 176.800 174.700 0.061 0.000 1.044 348 T CA 1.312 63.443 62.100 0.051 0.000 1.139 348 T CB -0.479 68.407 68.868 0.030 0.000 0.867 348 T HN 0.407 nan 8.240 nan 0.000 0.454 349 C N 1.563 120.901 119.300 0.063 0.000 2.413 349 C HA -0.067 4.393 4.460 -0.000 0.000 0.276 349 C C 2.517 177.576 174.990 0.115 0.000 1.236 349 C CA 0.329 59.403 59.018 0.094 0.000 1.735 349 C CB -1.411 26.378 27.740 0.082 0.000 2.031 349 C HN 0.438 nan 8.230 nan 0.000 0.474 350 I N 1.048 121.681 120.570 0.105 0.000 2.226 350 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 350 I C 2.430 178.661 176.117 0.190 0.000 1.100 350 I CA 1.638 63.021 61.300 0.138 0.000 1.374 350 I CB -1.812 36.246 38.000 0.096 0.000 1.057 350 I HN 0.527 nan 8.210 nan 0.000 0.413 351 E N 1.191 121.465 120.200 0.125 0.000 2.106 351 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 351 E C 2.354 178.979 176.600 0.040 0.000 0.984 351 E CA 1.261 57.712 56.400 0.085 0.000 0.806 351 E CB -0.161 29.589 29.700 0.084 0.000 0.750 351 E HN 0.491 nan 8.360 nan 0.000 0.458 352 A N 1.052 123.894 122.820 0.037 0.000 1.902 352 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 352 A C 2.151 179.701 177.584 -0.057 0.000 1.181 352 A CA 1.335 53.356 52.037 -0.026 0.000 0.623 352 A CB -0.414 18.598 19.000 0.019 0.000 0.818 352 A HN 0.133 nan 8.150 nan 0.000 0.443 353 M N -0.623 119.024 119.600 0.078 0.000 2.117 353 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 353 M C 2.520 178.910 176.300 0.150 0.000 1.065 353 M CA 1.441 56.848 55.300 0.178 0.000 1.114 353 M CB -0.335 32.461 32.600 0.326 0.000 1.361 353 M HN 0.477 nan 8.290 nan 0.000 0.408 354 A N 0.243 123.063 122.820 -0.000 0.000 1.898 354 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 354 A C 2.347 179.748 177.584 -0.305 0.000 1.181 354 A CA 1.862 53.587 52.037 -0.520 0.000 0.620 354 A CB -1.011 17.633 19.000 -0.592 0.000 0.819 354 A HN 0.488 nan 8.150 nan 0.000 0.442 355 A N -0.213 122.499 122.820 -0.181 0.000 1.877 355 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 355 A C 2.453 179.956 177.584 -0.135 0.000 1.186 355 A CA 2.703 54.652 52.037 -0.146 0.000 0.620 355 A CB -1.395 17.516 19.000 -0.148 0.000 0.822 355 A HN 0.765 nan 8.150 nan 0.000 0.443 356 T N -2.694 111.722 114.554 -0.229 0.000 2.942 356 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 356 T C 1.750 176.582 174.700 0.219 0.000 1.062 356 T CA 1.339 63.343 62.100 -0.160 0.000 1.139 356 T CB -0.298 68.094 68.868 -0.793 0.000 0.883 356 T HN 0.567 nan 8.240 nan 0.000 0.468 357 Q N 0.678 120.566 119.800 0.146 0.000 2.435 357 Q HA 0.211 4.551 4.340 -0.000 0.000 0.207 357 Q C 2.398 178.441 176.000 0.071 0.000 0.956 357 Q CA 0.719 56.661 55.803 0.232 0.000 0.917 357 Q CB -0.140 28.855 28.738 0.429 0.000 0.997 357 Q HN 0.714 nan 8.270 nan 0.000 0.497 358 G N -1.151 107.631 108.800 -0.031 0.000 2.777 358 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.211 358 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.211 358 G C -0.269 174.655 174.900 0.040 0.000 1.149 358 G CA -0.129 44.914 45.100 -0.095 0.000 0.785 358 G HN 0.541 nan 8.290 nan 0.000 0.536 359 H N -0.073 118.980 119.070 -0.029 0.000 2.982 359 H HA -0.149 4.407 4.556 -0.000 0.000 0.336 359 H C 0.374 175.750 175.328 0.080 0.000 1.302 359 H CA 0.117 56.146 56.048 -0.032 0.000 1.204 359 H CB -1.567 28.103 29.762 -0.154 0.000 1.502 359 H HN 0.334 nan 8.280 nan 0.000 0.446 360 T N -0.222 114.468 114.554 0.227 0.000 2.856 360 T HA 0.064 4.414 4.350 -0.000 0.000 0.306 360 T C 1.365 176.240 174.700 0.291 0.000 1.062 360 T CA 0.068 62.283 62.100 0.191 0.000 1.083 360 T CB 1.126 70.035 68.868 0.069 0.000 0.984 360 T HN 0.407 nan 8.240 nan 0.000 0.542 361 Q N 1.020 120.976 119.800 0.260 0.000 2.376 361 Q HA 0.262 4.602 4.340 -0.000 0.000 0.206 361 Q C 0.437 176.631 176.000 0.324 0.000 0.921 361 Q CA 0.221 56.218 55.803 0.323 0.000 0.911 361 Q CB 0.526 29.423 28.738 0.266 0.000 1.032 361 Q HN 0.721 nan 8.270 nan 0.000 0.510 362 S N -1.209 114.658 115.700 0.279 0.000 2.596 362 S HA 0.756 5.226 4.470 -0.000 0.000 0.270 362 S C -1.491 173.216 174.600 0.178 0.000 1.155 362 S CA -1.019 57.378 58.200 0.328 0.000 0.827 362 S CB 1.615 65.015 63.200 0.334 0.000 1.130 362 S HN 0.057 nan 8.310 nan 0.000 0.467 363 L N 1.067 122.429 121.223 0.233 0.000 2.505 363 L HA 0.721 5.061 4.340 -0.000 0.000 0.259 363 L C -1.580 175.396 176.870 0.177 0.000 0.952 363 L CA -0.195 54.646 54.840 0.002 0.000 0.840 363 L CB 2.158 44.172 42.059 -0.075 0.000 1.358 363 L HN 1.131 nan 8.230 nan 0.000 0.409 364 H N 1.125 120.192 119.070 -0.006 0.000 2.495 364 H HA 0.814 5.370 4.556 -0.000 0.000 0.348 364 H C -1.195 174.173 175.328 0.068 0.000 1.113 364 H CA 0.120 56.227 56.048 0.099 0.000 1.195 364 H CB 1.662 31.505 29.762 0.134 0.000 1.521 364 H HN 0.724 nan 8.280 nan 0.000 0.509 365 T N 2.986 117.279 114.554 -0.436 0.000 2.792 365 T HA 0.388 4.738 4.350 -0.000 0.000 0.280 365 T C -0.036 174.448 174.700 -0.359 0.000 0.990 365 T CA -1.249 60.706 62.100 -0.241 0.000 0.960 365 T CB 0.897 69.709 68.868 -0.094 0.000 0.939 365 T HN 0.549 nan 8.240 nan 0.000 0.439 366 N N 1.782 120.452 118.700 -0.050 0.000 2.354 366 N HA 0.347 5.087 4.740 -0.000 0.000 0.246 366 N C -0.045 175.472 175.510 0.012 0.000 1.285 366 N CA -0.340 52.758 53.050 0.080 0.000 0.925 366 N CB 0.710 39.303 38.487 0.177 0.000 1.174 366 N HN 0.624 nan 8.380 nan 0.000 0.478 367 S N 0.137 115.861 115.700 0.039 0.000 2.638 367 S HA 0.247 4.717 4.470 -0.000 0.000 0.298 367 S C 1.581 176.162 174.600 -0.031 0.000 1.111 367 S CA -0.748 57.445 58.200 -0.012 0.000 1.027 367 S CB 1.224 64.430 63.200 0.009 0.000 1.064 367 S HN 0.528 nan 8.310 nan 0.000 0.525 368 L N 0.776 121.939 121.223 -0.100 0.000 2.127 368 L HA -0.075 4.264 4.340 -0.000 0.000 0.211 368 L C 1.135 177.940 176.870 -0.110 0.000 1.089 368 L CA 1.723 56.474 54.840 -0.148 0.000 0.757 368 L CB -1.112 40.759 42.059 -0.314 0.000 0.899 368 L HN 0.571 nan 8.230 nan 0.000 0.434 369 D N -0.814 119.545 120.400 -0.069 0.000 2.324 369 D HA -0.087 4.553 4.640 -0.000 0.000 0.235 369 D C 1.716 178.013 176.300 -0.005 0.000 1.095 369 D CA 0.591 54.569 54.000 -0.037 0.000 0.871 369 D CB -0.236 40.549 40.800 -0.025 0.000 0.906 369 D HN 0.600 nan 8.370 nan 0.000 0.522 370 E N 1.816 122.026 120.200 0.016 0.000 2.108 370 E HA -0.272 4.078 4.350 -0.000 0.000 0.203 370 E C 1.690 178.318 176.600 0.046 0.000 1.022 370 E CA 2.103 58.537 56.400 0.057 0.000 0.823 370 E CB -0.580 29.162 29.700 0.070 0.000 0.744 370 E HN 0.306 nan 8.360 nan 0.000 0.456 371 A N -1.157 121.672 122.820 0.015 0.000 2.251 371 A HA 0.231 4.551 4.320 -0.000 0.000 0.209 371 A C 1.790 179.378 177.584 0.006 0.000 1.187 371 A CA 0.536 52.578 52.037 0.007 0.000 0.823 371 A CB -0.149 18.839 19.000 -0.020 0.000 0.846 371 A HN 0.355 nan 8.150 nan 0.000 0.486 372 I N -2.511 118.063 120.570 0.006 0.000 4.033 372 I HA 0.456 4.626 4.170 -0.000 0.000 0.296 372 I C 0.861 176.983 176.117 0.009 0.000 1.210 372 I CA 0.840 62.142 61.300 0.002 0.000 1.341 372 I CB 0.629 38.622 38.000 -0.012 0.000 1.369 372 I HN 0.232 nan 8.210 nan 0.000 0.453 373 A N 0.090 122.914 122.820 0.007 0.000 2.467 373 A HA 0.637 4.957 4.320 -0.000 0.000 0.301 373 A C -1.420 176.163 177.584 -0.002 0.000 1.126 373 A CA -0.655 51.385 52.037 0.004 0.000 0.632 373 A CB 0.409 19.397 19.000 -0.020 0.000 1.331 373 A HN 0.005 nan 8.150 nan 0.000 0.482 374 L N 1.272 122.477 121.223 -0.030 0.000 2.473 374 L HA 0.332 4.672 4.340 -0.000 0.000 0.268 374 L C -1.918 174.889 176.870 -0.104 0.000 1.215 374 L CA -1.554 53.255 54.840 -0.052 0.000 0.823 374 L CB 0.086 42.088 42.059 -0.095 0.000 1.099 374 L HN 0.459 nan 8.230 nan 0.000 0.483 375 P HA 0.062 nan 4.420 nan 0.000 0.268 375 P C -0.408 176.785 177.300 -0.177 0.000 1.205 375 P CA -0.296 62.769 63.100 -0.060 0.000 0.771 375 P CB 0.488 32.227 31.700 0.064 0.000 0.858 376 T N -1.595 112.909 114.554 -0.085 0.000 2.849 376 T HA 0.231 4.581 4.350 -0.000 0.000 0.276 376 T C 0.895 175.614 174.700 0.032 0.000 0.971 376 T CA -0.433 61.615 62.100 -0.085 0.000 0.949 376 T CB 0.501 69.376 68.868 0.012 0.000 1.093 376 T HN 0.158 nan 8.240 nan 0.000 0.545 377 D N -0.450 120.005 120.400 0.092 0.000 2.117 377 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 377 D C 1.480 177.902 176.300 0.203 0.000 0.987 377 D CA 0.968 55.100 54.000 0.219 0.000 0.829 377 D CB -0.390 40.528 40.800 0.198 0.000 0.961 377 D HN 0.536 nan 8.370 nan 0.000 0.460 378 F N 1.992 121.980 119.950 0.063 0.000 2.051 378 F HA -0.233 4.294 4.527 -0.000 0.000 0.296 378 F C 2.573 178.405 175.800 0.054 0.000 1.122 378 F CA 2.178 60.213 58.000 0.057 0.000 1.201 378 F CB -0.690 38.339 39.000 0.049 0.000 0.978 378 F HN -0.016 nan 8.300 nan 0.000 0.472 379 S N 0.879 116.528 115.700 -0.086 0.000 2.370 379 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 379 S C 2.260 176.782 174.600 -0.130 0.000 1.033 379 S CA 1.116 59.199 58.200 -0.195 0.000 1.011 379 S CB -1.402 61.765 63.200 -0.055 0.000 0.852 379 S HN 0.509 nan 8.310 nan 0.000 0.457 380 A N 2.146 124.972 122.820 0.010 0.000 1.972 380 A HA -0.024 4.295 4.320 -0.000 0.000 0.219 380 A C 2.329 179.915 177.584 0.004 0.000 1.169 380 A CA 1.492 53.578 52.037 0.083 0.000 0.635 380 A CB -0.757 18.429 19.000 0.309 0.000 0.810 380 A HN 0.649 nan 8.150 nan 0.000 0.446 381 R N -0.264 120.213 120.500 -0.039 0.000 2.075 381 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 381 R C 1.863 178.096 176.300 -0.112 0.000 1.126 381 R CA 1.543 57.607 56.100 -0.059 0.000 0.963 381 R CB -0.346 29.938 30.300 -0.027 0.000 0.858 381 R HN 0.529 nan 8.270 nan 0.000 0.435 382 I N 0.802 121.237 120.570 -0.226 0.000 2.202 382 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 382 I C 2.577 178.629 176.117 -0.109 0.000 1.091 382 I CA 1.200 62.378 61.300 -0.204 0.000 1.368 382 I CB -0.421 37.394 38.000 -0.308 0.000 1.058 382 I HN 0.306 nan 8.210 nan 0.000 0.410 383 A N 0.805 123.566 122.820 -0.098 0.000 1.883 383 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 383 A C 2.452 180.016 177.584 -0.034 0.000 1.186 383 A CA 1.987 53.986 52.037 -0.064 0.000 0.624 383 A CB -0.693 18.264 19.000 -0.073 0.000 0.822 383 A HN 0.360 nan 8.150 nan 0.000 0.444 384 R N -0.209 120.276 120.500 -0.026 0.000 2.075 384 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 384 R C 1.893 178.210 176.300 0.029 0.000 1.126 384 R CA 1.689 57.788 56.100 -0.001 0.000 0.963 384 R CB -0.418 29.872 30.300 -0.016 0.000 0.858 384 R HN 0.730 nan 8.270 nan 0.000 0.435 385 N N -0.845 117.867 118.700 0.020 0.000 2.223 385 N HA -0.116 4.623 4.740 -0.000 0.000 0.185 385 N C 1.322 176.900 175.510 0.114 0.000 1.016 385 N CA 1.611 54.693 53.050 0.052 0.000 0.863 385 N CB -0.005 38.492 38.487 0.018 0.000 0.983 385 N HN 0.204 nan 8.380 nan 0.000 0.429 386 T N 1.275 115.887 114.554 0.096 0.000 2.635 386 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 386 T C 1.776 176.633 174.700 0.262 0.000 1.040 386 T CA 1.293 63.490 62.100 0.161 0.000 1.156 386 T CB -0.277 68.645 68.868 0.090 0.000 0.863 386 T HN 0.349 nan 8.240 nan 0.000 0.430 387 Q N 0.300 120.236 119.800 0.226 0.000 2.123 387 Q HA 0.080 4.420 4.340 -0.000 0.000 0.199 387 Q C 2.497 178.649 176.000 0.252 0.000 0.966 387 Q CA 0.866 56.876 55.803 0.346 0.000 0.845 387 Q CB -0.351 28.599 28.738 0.354 0.000 0.907 387 Q HN 0.473 nan 8.270 nan 0.000 0.439 388 L N -0.120 121.183 121.223 0.133 0.000 2.027 388 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 388 L C 2.364 179.293 176.870 0.097 0.000 1.074 388 L CA 1.098 55.965 54.840 0.047 0.000 0.745 388 L CB -0.506 41.572 42.059 0.032 0.000 0.898 388 L HN 0.182 nan 8.230 nan 0.000 0.433 389 F N 0.951 120.929 119.950 0.047 0.000 2.065 389 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 389 F C 2.189 178.048 175.800 0.097 0.000 1.112 389 F CA 1.713 59.748 58.000 0.057 0.000 1.212 389 F CB -0.349 38.684 39.000 0.056 0.000 0.975 389 F HN -0.126 nan 8.300 nan 0.000 0.476 390 L N -0.030 121.198 121.223 0.009 0.000 2.083 390 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 390 L C 2.548 179.475 176.870 0.095 0.000 1.083 390 L CA 1.633 56.487 54.840 0.024 0.000 0.752 390 L CB -0.925 41.318 42.059 0.307 0.000 0.899 390 L HN 0.292 nan 8.230 nan 0.000 0.433 391 Q N -0.580 119.239 119.800 0.033 0.000 2.123 391 Q HA -0.193 4.147 4.340 -0.000 0.000 0.199 391 Q C 2.151 178.055 176.000 -0.159 0.000 0.966 391 Q CA 1.229 56.909 55.803 -0.205 0.000 0.845 391 Q CB 0.009 28.448 28.738 -0.499 0.000 0.907 391 Q HN 0.605 nan 8.270 nan 0.000 0.439 392 Q N -0.096 119.618 119.800 -0.144 0.000 2.226 392 Q HA -0.015 4.325 4.340 -0.000 0.000 0.199 392 Q C 1.430 177.351 176.000 -0.132 0.000 0.945 392 Q CA 0.692 56.425 55.803 -0.117 0.000 0.861 392 Q CB 0.510 29.209 28.738 -0.065 0.000 0.953 392 Q HN 0.307 nan 8.270 nan 0.000 0.490 393 E N -0.051 120.000 120.200 -0.248 0.000 2.290 393 E HA -0.025 4.325 4.350 -0.000 0.000 0.197 393 E C 1.955 178.366 176.600 -0.316 0.000 0.948 393 E CA 0.706 56.949 56.400 -0.260 0.000 0.895 393 E CB 0.361 29.917 29.700 -0.240 0.000 0.865 393 E HN 0.197 nan 8.360 nan 0.000 0.486 394 S N 0.300 115.717 115.700 -0.471 0.000 2.419 394 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 394 S C 1.868 176.416 174.600 -0.088 0.000 1.019 394 S CA 1.119 59.155 58.200 -0.273 0.000 0.982 394 S CB -0.416 62.646 63.200 -0.229 0.000 0.789 394 S HN 0.378 nan 8.310 nan 0.000 0.490 395 G N 0.704 109.473 108.800 -0.052 0.000 2.155 395 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 395 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 395 G C 0.799 175.725 174.900 0.043 0.000 0.983 395 G CA 1.140 46.238 45.100 -0.003 0.000 0.676 395 G HN 1.325 nan 8.290 nan 0.000 0.528 396 T N -2.326 112.280 114.554 0.087 0.000 3.129 396 T HA 0.200 4.550 4.350 -0.000 0.000 0.251 396 T C 2.166 177.034 174.700 0.280 0.000 1.117 396 T CA 1.837 64.032 62.100 0.159 0.000 1.034 396 T CB -0.131 68.847 68.868 0.184 0.000 0.968 396 T HN 0.957 nan 8.240 nan 0.000 0.526 397 T N 0.263 114.977 114.554 0.267 0.000 3.037 397 T HA 0.085 4.435 4.350 -0.000 0.000 0.252 397 T C 2.023 176.877 174.700 0.257 0.000 1.073 397 T CA 0.036 62.357 62.100 0.369 0.000 1.091 397 T CB -0.291 68.710 68.868 0.222 0.000 0.935 397 T HN 0.585 nan 8.240 nan 0.000 0.488 398 R N 1.315 121.905 120.500 0.151 0.000 2.127 398 R HA 0.061 4.401 4.340 -0.000 0.000 0.238 398 R C 0.180 176.545 176.300 0.108 0.000 1.134 398 R CA 0.730 56.895 56.100 0.109 0.000 0.975 398 R CB -0.784 29.553 30.300 0.062 0.000 0.865 398 R HN 0.326 nan 8.270 nan 0.000 0.447 399 V N 2.302 122.281 119.914 0.109 0.000 2.459 399 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 399 V C 0.110 176.276 176.094 0.120 0.000 1.029 399 V CA -1.009 61.338 62.300 0.078 0.000 0.874 399 V CB 1.937 33.768 31.823 0.014 0.000 0.985 399 V HN 0.124 nan 8.190 nan 0.000 0.438 400 I N 4.243 124.875 120.570 0.103 0.000 2.587 400 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 400 I C 0.586 176.718 176.117 0.025 0.000 1.134 400 I CA 0.372 61.764 61.300 0.152 0.000 1.410 400 I CB -0.145 37.913 38.000 0.097 0.000 1.392 400 I HN 0.773 nan 8.210 nan 0.000 0.545 401 D N 8.396 128.750 120.400 -0.077 0.000 3.142 401 D HA -0.142 4.498 4.640 -0.000 0.000 0.221 401 D C -1.390 174.845 176.300 -0.108 0.000 1.193 401 D CA -0.040 53.783 54.000 -0.294 0.000 0.900 401 D CB 0.295 41.074 40.800 -0.035 0.000 0.886 401 D HN 0.360 nan 8.370 nan 0.000 0.399 402 P HA -0.152 nan 4.420 nan 0.000 0.219 402 P C 1.315 178.463 177.300 -0.253 0.000 1.146 402 P CA 1.308 64.286 63.100 -0.204 0.000 0.808 402 P CB -0.190 31.320 31.700 -0.316 0.000 0.779 403 W N 0.082 121.406 121.300 0.040 0.000 3.139 403 W HA 0.214 4.874 4.660 -0.000 0.000 0.260 403 W C 1.124 177.689 176.519 0.077 0.000 1.312 403 W CA -0.178 57.220 57.345 0.088 0.000 1.606 403 W CB -0.558 28.975 29.460 0.122 0.000 1.118 403 W HN -0.169 nan 8.180 nan 0.000 0.675 404 S N 0.763 116.593 115.700 0.217 0.000 2.784 404 S HA 0.243 4.713 4.470 -0.000 0.000 0.322 404 S C 1.363 176.047 174.600 0.139 0.000 1.234 404 S CA 1.500 59.820 58.200 0.200 0.000 1.064 404 S CB -0.069 63.224 63.200 0.155 0.000 0.787 404 S HN 0.749 nan 8.310 nan 0.000 0.506 405 G N 3.085 111.975 108.800 0.150 0.000 2.284 405 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.230 405 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.230 405 G C 0.409 175.452 174.900 0.239 0.000 1.021 405 G CA 0.374 45.530 45.100 0.093 0.000 0.619 405 G HN 1.635 nan 8.290 nan 0.000 0.510 406 S N 1.191 117.058 115.700 0.279 0.000 2.702 406 S HA 0.401 4.871 4.470 -0.000 0.000 0.314 406 S C 1.895 176.656 174.600 0.268 0.000 1.244 406 S CA 0.867 59.249 58.200 0.304 0.000 1.058 406 S CB 0.831 64.257 63.200 0.378 0.000 0.783 406 S HN 1.782 nan 8.310 nan 0.000 0.503 407 A N 5.750 128.711 122.820 0.236 0.000 1.898 407 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 407 A C 1.874 179.497 177.584 0.065 0.000 1.181 407 A CA 1.533 53.658 52.037 0.147 0.000 0.620 407 A CB -1.041 17.976 19.000 0.028 0.000 0.819 407 A HN 1.055 nan 8.150 nan 0.000 0.442 408 Y N 0.978 121.144 120.300 -0.223 0.000 2.145 408 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 408 Y C 2.389 178.025 175.900 -0.439 0.000 1.145 408 Y CA 1.605 59.265 58.100 -0.734 0.000 1.148 408 Y CB -0.737 37.355 38.460 -0.614 0.000 0.981 408 Y HN 0.069 nan 8.280 nan 0.000 0.507 409 V N 0.765 120.509 119.914 -0.283 0.000 2.343 409 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 409 V C 2.387 178.441 176.094 -0.067 0.000 1.051 409 V CA 2.204 64.359 62.300 -0.243 0.000 1.036 409 V CB -0.558 31.231 31.823 -0.056 0.000 0.654 409 V HN 0.331 nan 8.190 nan 0.000 0.451 410 E N -0.103 120.154 120.200 0.096 0.000 2.106 410 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 410 E C 2.197 178.938 176.600 0.235 0.000 0.984 410 E CA 1.140 57.699 56.400 0.264 0.000 0.806 410 E CB -0.148 29.757 29.700 0.341 0.000 0.750 410 E HN 0.608 nan 8.360 nan 0.000 0.458 411 E N 1.369 121.627 120.200 0.097 0.000 2.038 411 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 411 E C 2.227 178.886 176.600 0.097 0.000 1.000 411 E CA 0.934 57.416 56.400 0.137 0.000 0.803 411 E CB -0.406 29.320 29.700 0.043 0.000 0.750 411 E HN 0.182 nan 8.360 nan 0.000 0.448 412 L N -0.030 121.134 121.223 -0.097 0.000 2.042 412 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 412 L C 2.510 179.338 176.870 -0.071 0.000 1.076 412 L CA 1.742 56.503 54.840 -0.132 0.000 0.749 412 L CB -0.907 40.975 42.059 -0.296 0.000 0.893 412 L HN 0.198 nan 8.230 nan 0.000 0.432 413 T N -1.092 113.442 114.554 -0.034 0.000 2.652 413 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 413 T C 1.476 176.209 174.700 0.055 0.000 1.039 413 T CA 1.747 63.811 62.100 -0.059 0.000 1.153 413 T CB -0.442 68.391 68.868 -0.058 0.000 0.863 413 T HN 0.525 nan 8.240 nan 0.000 0.428 414 W N 1.790 123.119 121.300 0.047 0.000 2.355 414 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 414 W C 1.745 178.286 176.519 0.037 0.000 1.206 414 W CA 0.921 58.355 57.345 0.149 0.000 1.284 414 W CB -0.052 29.592 29.460 0.307 0.000 1.145 414 W HN 0.253 nan 8.180 nan 0.000 0.502 415 D N 0.726 121.151 120.400 0.043 0.000 2.097 415 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 415 D C 2.245 178.454 176.300 -0.152 0.000 0.989 415 D CA 1.633 55.559 54.000 -0.124 0.000 0.827 415 D CB -0.797 39.979 40.800 -0.039 0.000 0.966 415 D HN 0.237 nan 8.370 nan 0.000 0.456 416 L N 0.374 121.526 121.223 -0.118 0.000 2.072 416 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 416 L C 2.467 179.261 176.870 -0.127 0.000 1.079 416 L CA 0.918 55.677 54.840 -0.135 0.000 0.752 416 L CB -0.326 41.634 42.059 -0.165 0.000 0.906 416 L HN -0.027 nan 8.230 nan 0.000 0.436 417 A N 0.161 122.907 122.820 -0.123 0.000 1.902 417 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 417 A C 2.361 179.889 177.584 -0.095 0.000 1.181 417 A CA 1.536 53.515 52.037 -0.096 0.000 0.623 417 A CB -0.421 18.523 19.000 -0.094 0.000 0.818 417 A HN 0.322 nan 8.150 nan 0.000 0.443 418 R N -0.472 119.882 120.500 -0.244 0.000 2.073 418 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 418 R C 2.202 178.405 176.300 -0.161 0.000 1.120 418 R CA 1.313 57.253 56.100 -0.265 0.000 0.967 418 R CB -0.201 29.769 30.300 -0.550 0.000 0.862 418 R HN 0.454 nan 8.270 nan 0.000 0.436 419 K N 0.418 120.700 120.400 -0.197 0.000 2.057 419 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 419 K C 2.158 178.589 176.600 -0.282 0.000 1.050 419 K CA 1.347 57.477 56.287 -0.262 0.000 0.935 419 K CB -0.115 32.266 32.500 -0.199 0.000 0.715 419 K HN 0.117 nan 8.250 nan 0.000 0.439 420 A N 1.360 124.141 122.820 -0.065 0.000 1.930 420 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 420 A C 1.896 179.537 177.584 0.094 0.000 1.175 420 A CA 0.910 52.989 52.037 0.070 0.000 0.627 420 A CB -0.861 18.189 19.000 0.084 0.000 0.815 420 A HN 0.585 nan 8.150 nan 0.000 0.443 421 W N 0.850 122.102 121.300 -0.081 0.000 2.363 421 W HA -0.138 4.522 4.660 -0.000 0.000 0.296 421 W C 2.011 178.488 176.519 -0.069 0.000 1.212 421 W CA 1.550 58.867 57.345 -0.047 0.000 1.260 421 W CB -0.423 29.001 29.460 -0.060 0.000 1.131 421 W HN 0.378 nan 8.180 nan 0.000 0.530 422 G N 0.002 108.735 108.800 -0.112 0.000 2.433 422 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 422 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 422 G C 1.275 176.053 174.900 -0.204 0.000 1.186 422 G CA 1.324 46.305 45.100 -0.198 0.000 0.779 422 G HN 0.307 nan 8.290 nan 0.000 0.543 423 H N 0.559 119.582 119.070 -0.078 0.000 2.352 423 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 423 H C 2.727 178.015 175.328 -0.067 0.000 1.097 423 H CA 1.126 57.144 56.048 -0.051 0.000 1.311 423 H CB -0.412 29.325 29.762 -0.041 0.000 1.377 423 H HN 0.345 nan 8.280 nan 0.000 0.504 424 I N 1.099 121.652 120.570 -0.027 0.000 2.208 424 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 424 I C 2.331 178.295 176.117 -0.256 0.000 1.097 424 I CA 1.408 62.627 61.300 -0.135 0.000 1.363 424 I CB -0.196 37.653 38.000 -0.252 0.000 1.051 424 I HN 0.240 nan 8.210 nan 0.000 0.413 425 Q N 0.243 119.809 119.800 -0.391 0.000 2.230 425 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 425 Q C 1.988 177.902 176.000 -0.142 0.000 0.963 425 Q CA 0.968 56.587 55.803 -0.308 0.000 0.866 425 Q CB -0.101 28.429 28.738 -0.348 0.000 0.931 425 Q HN 0.524 nan 8.270 nan 0.000 0.452 426 E N 0.430 120.580 120.200 -0.083 0.000 2.047 426 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 426 E C 2.168 178.759 176.600 -0.014 0.000 0.987 426 E CA 1.292 57.677 56.400 -0.025 0.000 0.799 426 E CB -0.085 29.630 29.700 0.025 0.000 0.752 426 E HN 0.134 nan 8.360 nan 0.000 0.449 427 V N 2.149 122.064 119.914 0.001 0.000 2.255 427 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 427 V C 2.260 178.338 176.094 -0.026 0.000 1.051 427 V CA 1.809 64.109 62.300 -0.001 0.000 1.018 427 V CB -0.396 31.448 31.823 0.036 0.000 0.641 427 V HN 0.197 nan 8.190 nan 0.000 0.445 428 E N -0.102 120.071 120.200 -0.045 0.000 2.153 428 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 428 E C 2.360 178.936 176.600 -0.040 0.000 0.988 428 E CA 1.150 57.523 56.400 -0.046 0.000 0.811 428 E CB -0.310 29.346 29.700 -0.074 0.000 0.746 428 E HN 0.462 nan 8.360 nan 0.000 0.466 429 K N 0.171 120.545 120.400 -0.043 0.000 2.148 429 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 429 K C 2.066 178.651 176.600 -0.026 0.000 1.050 429 K CA 0.576 56.843 56.287 -0.033 0.000 0.942 429 K CB -0.550 31.931 32.500 -0.032 0.000 0.724 429 K HN 0.032 nan 8.250 nan 0.000 0.446 430 V N -0.174 119.724 119.914 -0.027 0.000 3.646 430 V HA 0.225 4.345 4.120 -0.000 0.000 0.277 430 V C 1.336 177.410 176.094 -0.033 0.000 1.274 430 V CA 1.050 63.333 62.300 -0.028 0.000 1.164 430 V CB -0.256 31.551 31.823 -0.027 0.000 0.926 430 V HN 0.693 nan 8.190 nan 0.000 0.442 431 G N -0.766 108.016 108.800 -0.030 0.000 2.159 431 G HA2 0.080 4.040 3.960 -0.000 0.000 0.227 431 G HA3 0.080 4.040 3.960 -0.000 0.000 0.227 431 G C 0.723 175.604 174.900 -0.031 0.000 0.986 431 G CA -0.051 45.031 45.100 -0.029 0.000 0.651 431 G HN 1.734 nan 8.290 nan 0.000 0.523 432 G N -1.889 106.892 108.800 -0.032 0.000 2.592 432 G HA2 0.202 4.161 3.960 -0.000 0.000 0.684 432 G HA3 0.202 4.161 3.960 -0.000 0.000 0.684 432 G C 0.563 175.426 174.900 -0.062 0.000 1.291 432 G CA 0.298 45.379 45.100 -0.031 0.000 0.891 432 G HN 0.695 nan 8.290 nan 0.000 0.544 433 M N 0.316 119.872 119.600 -0.073 0.000 2.200 433 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 433 M C 2.978 179.192 176.300 -0.144 0.000 1.066 433 M CA 2.449 57.678 55.300 -0.119 0.000 1.127 433 M CB -1.703 30.830 32.600 -0.112 0.000 1.379 433 M HN 1.160 nan 8.290 nan 0.000 0.420 434 A N 0.356 123.090 122.820 -0.143 0.000 1.877 434 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 434 A C 2.286 179.773 177.584 -0.161 0.000 1.186 434 A CA 1.907 53.846 52.037 -0.164 0.000 0.620 434 A CB -0.537 18.365 19.000 -0.164 0.000 0.822 434 A HN 0.412 nan 8.150 nan 0.000 0.443 435 K N -0.283 120.041 120.400 -0.126 0.000 2.057 435 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 435 K C 2.218 178.753 176.600 -0.108 0.000 1.049 435 K CA 1.253 57.474 56.287 -0.109 0.000 0.931 435 K CB -0.324 32.128 32.500 -0.080 0.000 0.714 435 K HN 0.448 nan 8.250 nan 0.000 0.440 436 A N 0.789 123.541 122.820 -0.113 0.000 1.930 436 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 436 A C 2.097 179.596 177.584 -0.143 0.000 1.175 436 A CA 1.212 53.176 52.037 -0.120 0.000 0.627 436 A CB -0.517 18.401 19.000 -0.137 0.000 0.815 436 A HN 0.186 nan 8.150 nan 0.000 0.443 437 I N -0.164 120.308 120.570 -0.163 0.000 2.252 437 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 437 I C 3.033 179.075 176.117 -0.126 0.000 1.102 437 I CA 1.362 62.572 61.300 -0.149 0.000 1.385 437 I CB -0.561 37.357 38.000 -0.136 0.000 1.064 437 I HN 0.509 nan 8.210 nan 0.000 0.414 438 E N 1.766 121.876 120.200 -0.150 0.000 2.130 438 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 438 E C 2.051 178.606 176.600 -0.075 0.000 0.998 438 E CA 1.759 58.081 56.400 -0.129 0.000 0.806 438 E CB -0.788 28.826 29.700 -0.143 0.000 0.738 438 E HN 0.559 nan 8.360 nan 0.000 0.459 439 K N -1.678 118.681 120.400 -0.069 0.000 2.365 439 K HA 0.163 4.483 4.320 -0.000 0.000 0.199 439 K C 1.578 178.155 176.600 -0.038 0.000 1.045 439 K CA 0.465 56.723 56.287 -0.048 0.000 0.962 439 K CB 0.211 32.682 32.500 -0.048 0.000 0.759 439 K HN 0.563 nan 8.250 nan 0.000 0.469 440 G N 1.426 110.201 108.800 -0.041 0.000 2.136 440 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 440 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 440 G C 0.741 175.626 174.900 -0.026 0.000 0.989 440 G CA 0.099 45.184 45.100 -0.026 0.000 0.682 440 G HN 0.143 nan 8.290 nan 0.000 0.522 441 I N 0.906 121.452 120.570 -0.040 0.000 2.163 441 I HA -0.054 4.116 4.170 -0.000 0.000 0.240 441 I C 0.579 176.688 176.117 -0.014 0.000 1.081 441 I CA 1.783 63.069 61.300 -0.024 0.000 1.353 441 I CB -2.148 35.839 38.000 -0.022 0.000 1.054 441 I HN 0.093 nan 8.210 nan 0.000 0.407 442 P HA -0.222 nan 4.420 nan 0.000 0.214 442 P C 1.813 179.138 177.300 0.041 0.000 1.169 442 P CA 1.776 64.810 63.100 -0.111 0.000 0.908 442 P CB -0.144 31.228 31.700 -0.546 0.000 0.791 443 K N -0.613 119.788 120.400 0.003 0.000 2.044 443 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 443 K C 2.111 178.729 176.600 0.029 0.000 1.049 443 K CA 2.010 58.315 56.287 0.030 0.000 0.927 443 K CB -0.523 31.995 32.500 0.029 0.000 0.713 443 K HN 0.019 nan 8.250 nan 0.000 0.443 444 M N -0.151 119.461 119.600 0.020 0.000 2.159 444 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 444 M C 2.359 178.671 176.300 0.020 0.000 1.063 444 M CA 1.584 56.894 55.300 0.016 0.000 1.110 444 M CB -0.232 32.374 32.600 0.011 0.000 1.374 444 M HN 0.111 nan 8.290 nan 0.000 0.411 445 R N 1.217 121.740 120.500 0.038 0.000 2.091 445 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 445 R C 1.727 178.030 176.300 0.006 0.000 1.136 445 R CA 1.689 57.808 56.100 0.032 0.000 0.959 445 R CB -0.494 29.858 30.300 0.086 0.000 0.856 445 R HN 0.351 nan 8.270 nan 0.000 0.437 446 I N 0.328 120.914 120.570 0.027 0.000 2.252 446 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 446 I C 1.962 178.057 176.117 -0.037 0.000 1.102 446 I CA 1.502 62.793 61.300 -0.015 0.000 1.385 446 I CB -0.295 37.720 38.000 0.024 0.000 1.064 446 I HN 0.324 nan 8.210 nan 0.000 0.414 447 E N 0.709 120.899 120.200 -0.017 0.000 2.110 447 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 447 E C 2.018 178.608 176.600 -0.016 0.000 0.988 447 E CA 1.081 57.469 56.400 -0.020 0.000 0.804 447 E CB -0.055 29.640 29.700 -0.007 0.000 0.745 447 E HN 0.521 nan 8.360 nan 0.000 0.458 448 E N 0.746 120.940 120.200 -0.010 0.000 2.051 448 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 448 E C 2.123 178.713 176.600 -0.017 0.000 0.991 448 E CA 1.023 57.421 56.400 -0.003 0.000 0.799 448 E CB -0.143 29.555 29.700 -0.004 0.000 0.748 448 E HN 0.231 nan 8.360 nan 0.000 0.449 449 A N 1.361 124.154 122.820 -0.045 0.000 1.933 449 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 449 A C 2.360 179.892 177.584 -0.087 0.000 1.175 449 A CA 1.620 53.614 52.037 -0.072 0.000 0.628 449 A CB -0.543 18.394 19.000 -0.105 0.000 0.814 449 A HN 0.292 nan 8.150 nan 0.000 0.444 450 A N -0.261 122.502 122.820 -0.094 0.000 1.930 450 A HA 0.239 4.559 4.320 -0.000 0.000 0.217 450 A C 2.464 180.042 177.584 -0.010 0.000 1.175 450 A CA 1.839 53.811 52.037 -0.108 0.000 0.627 450 A CB -0.860 18.073 19.000 -0.111 0.000 0.815 450 A HN 0.950 nan 8.150 nan 0.000 0.443 451 A N -0.062 122.778 122.820 0.033 0.000 1.873 451 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 451 A C 2.241 179.901 177.584 0.126 0.000 1.186 451 A CA 1.401 53.514 52.037 0.127 0.000 0.616 451 A CB -0.448 18.626 19.000 0.123 0.000 0.823 451 A HN 0.525 nan 8.150 nan 0.000 0.442 452 R N -0.749 119.776 120.500 0.041 0.000 2.083 452 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 452 R C 2.316 178.627 176.300 0.018 0.000 1.137 452 R CA 1.950 58.053 56.100 0.005 0.000 0.951 452 R CB -0.896 29.396 30.300 -0.014 0.000 0.851 452 R HN 0.543 nan 8.270 nan 0.000 0.434 453 T N 0.771 115.339 114.554 0.023 0.000 2.684 453 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 453 T C 1.759 176.546 174.700 0.144 0.000 1.036 453 T CA 1.484 63.625 62.100 0.067 0.000 1.148 453 T CB -0.237 68.634 68.868 0.004 0.000 0.863 453 T HN 0.170 nan 8.240 nan 0.000 0.436 454 Q N 1.272 121.181 119.800 0.181 0.000 2.061 454 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 454 Q C 2.396 178.544 176.000 0.246 0.000 0.984 454 Q CA 1.915 57.875 55.803 0.262 0.000 0.846 454 Q CB -0.835 28.084 28.738 0.301 0.000 0.902 454 Q HN 0.537 nan 8.270 nan 0.000 0.421 455 A N 0.418 123.292 122.820 0.090 0.000 1.883 455 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 455 A C 2.072 179.596 177.584 -0.099 0.000 1.186 455 A CA 1.900 53.761 52.037 -0.292 0.000 0.624 455 A CB -0.574 18.070 19.000 -0.594 0.000 0.822 455 A HN 0.445 nan 8.150 nan 0.000 0.444 456 R N -0.618 119.870 120.500 -0.020 0.000 2.081 456 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 456 R C 1.968 178.297 176.300 0.049 0.000 1.131 456 R CA 1.651 57.762 56.100 0.017 0.000 0.960 456 R CB -0.478 29.851 30.300 0.048 0.000 0.856 456 R HN 0.593 nan 8.270 nan 0.000 0.436 457 I N 0.625 121.249 120.570 0.090 0.000 2.333 457 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 457 I C 1.485 177.644 176.117 0.069 0.000 1.106 457 I CA 1.042 62.395 61.300 0.088 0.000 1.411 457 I CB -0.233 37.844 38.000 0.128 0.000 1.082 457 I HN 0.041 nan 8.210 nan 0.000 0.420 458 D N 0.719 121.176 120.400 0.096 0.000 2.117 458 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 458 D C 2.410 178.744 176.300 0.056 0.000 0.987 458 D CA 1.936 55.997 54.000 0.101 0.000 0.829 458 D CB -0.242 40.675 40.800 0.195 0.000 0.961 458 D HN 0.335 nan 8.370 nan 0.000 0.460 459 S N -1.244 114.470 115.700 0.024 0.000 2.428 459 S HA 0.112 4.582 4.470 -0.000 0.000 0.230 459 S C 1.870 176.470 174.600 0.000 0.000 1.014 459 S CA 1.321 59.522 58.200 0.002 0.000 0.957 459 S CB 0.301 63.485 63.200 -0.026 0.000 0.784 459 S HN 0.371 nan 8.310 nan 0.000 0.499 460 G N 0.329 109.130 108.800 0.002 0.000 2.231 460 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.206 460 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.206 460 G C 1.034 175.929 174.900 -0.009 0.000 0.996 460 G CA 0.250 45.343 45.100 -0.012 0.000 0.645 460 G HN 0.420 nan 8.290 nan 0.000 0.498 461 R N -0.100 120.402 120.500 0.003 0.000 2.096 461 R HA 0.050 4.390 4.340 -0.000 0.000 0.240 461 R C 1.557 177.876 176.300 0.031 0.000 1.139 461 R CA 1.932 58.041 56.100 0.014 0.000 0.952 461 R CB -0.682 29.628 30.300 0.018 0.000 0.854 461 R HN 0.752 nan 8.270 nan 0.000 0.436 462 Q N 1.341 121.169 119.800 0.047 0.000 2.398 462 Q HA 0.282 4.622 4.340 -0.000 0.000 0.251 462 Q C -2.647 173.377 176.000 0.041 0.000 0.999 462 Q CA -2.668 53.177 55.803 0.070 0.000 0.874 462 Q CB 1.554 30.361 28.738 0.114 0.000 1.215 462 Q HN 0.126 nan 8.270 nan 0.000 0.470 463 P HA 0.051 nan 4.420 nan 0.000 0.268 463 P C -1.234 176.057 177.300 -0.015 0.000 1.205 463 P CA -0.284 62.802 63.100 -0.023 0.000 0.771 463 P CB 0.603 32.276 31.700 -0.046 0.000 0.858 464 L N 4.668 125.867 121.223 -0.040 0.000 2.518 464 L HA 0.329 4.669 4.340 -0.000 0.000 0.262 464 L C -0.892 175.952 176.870 -0.045 0.000 0.982 464 L CA -0.748 54.066 54.840 -0.043 0.000 0.873 464 L CB 0.553 42.577 42.059 -0.059 0.000 1.198 464 L HN 0.113 nan 8.230 nan 0.000 0.427 465 I N 5.146 125.704 120.570 -0.020 0.000 2.752 465 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 465 I C 1.597 177.729 176.117 0.023 0.000 1.197 465 I CA 1.233 62.542 61.300 0.016 0.000 1.432 465 I CB -0.249 37.796 38.000 0.075 0.000 1.359 465 I HN 0.920 nan 8.210 nan 0.000 0.571 466 G N 4.317 113.143 108.800 0.043 0.000 2.225 466 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 466 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 466 G C 0.612 175.522 174.900 0.017 0.000 0.988 466 G CA 0.367 45.495 45.100 0.046 0.000 0.625 466 G HN 0.457 nan 8.290 nan 0.000 0.527 467 V N 0.710 120.620 119.914 -0.008 0.000 2.939 467 V HA 0.183 4.303 4.120 -0.000 0.000 0.228 467 V C 1.777 177.860 176.094 -0.019 0.000 1.162 467 V CA 1.793 64.084 62.300 -0.014 0.000 1.222 467 V CB -0.074 31.730 31.823 -0.031 0.000 1.053 467 V HN 0.550 nan 8.190 nan 0.000 0.504 468 N N 0.191 118.868 118.700 -0.038 0.000 2.187 468 N HA 0.175 4.915 4.740 -0.000 0.000 0.212 468 N C -0.165 175.289 175.510 -0.094 0.000 1.152 468 N CA -0.088 52.936 53.050 -0.043 0.000 0.872 468 N CB 0.522 38.991 38.487 -0.031 0.000 1.025 468 N HN 0.568 nan 8.380 nan 0.000 0.514 469 K N -0.029 120.289 120.400 -0.137 0.000 2.575 469 K HA 0.172 4.492 4.320 -0.000 0.000 0.255 469 K C -1.301 175.141 176.600 -0.264 0.000 0.953 469 K CA -0.557 55.544 56.287 -0.309 0.000 0.840 469 K CB 0.579 32.829 32.500 -0.417 0.000 1.303 469 K HN -0.048 nan 8.250 nan 0.000 0.438 470 Y N 0.296 120.598 120.300 0.003 0.000 3.305 470 Y HA -0.264 4.286 4.550 -0.000 0.000 0.209 470 Y C 0.050 175.952 175.900 0.003 0.000 1.354 470 Y CA 0.221 58.323 58.100 0.003 0.000 1.392 470 Y CB -1.771 36.692 38.460 0.005 0.000 1.446 470 Y HN 0.523 nan 8.280 nan 0.000 0.553 471 R N 0.585 121.147 120.500 0.104 0.000 2.643 471 R HA 0.363 4.703 4.340 -0.000 0.000 0.270 471 R C 0.547 176.882 176.300 0.060 0.000 1.061 471 R CA -0.523 55.613 56.100 0.059 0.000 1.107 471 R CB 0.536 30.852 30.300 0.025 0.000 0.999 471 R HN 0.346 nan 8.270 nan 0.000 0.460 472 L N 1.988 123.238 121.223 0.045 0.000 2.418 472 L HA 0.116 4.456 4.340 -0.000 0.000 0.265 472 L C 2.203 179.069 176.870 -0.006 0.000 1.143 472 L CA 0.027 54.889 54.840 0.036 0.000 0.809 472 L CB 0.801 42.890 42.059 0.049 0.000 1.124 472 L HN 0.804 nan 8.230 nan 0.000 0.456 473 E N 1.554 121.742 120.200 -0.020 0.000 2.012 473 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 473 E C 0.118 176.546 176.600 -0.286 0.000 1.007 473 E CA 1.625 57.949 56.400 -0.127 0.000 0.816 473 E CB -0.537 nan 29.700 nan 0.000 0.762 473 E HN 0.791 nan 8.360 nan 0.000 0.451 474 H N -0.871 118.217 119.070 0.029 0.000 2.600 474 H HA 0.466 5.022 4.556 -0.000 0.000 0.357 474 H C -1.026 174.319 175.328 0.028 0.000 1.106 474 H CA -0.903 55.162 56.048 0.028 0.000 1.193 474 H CB 1.835 31.610 29.762 0.021 0.000 1.594 474 H HN 0.178 nan 8.280 nan 0.000 0.526 475 E N 3.615 123.903 120.200 0.147 0.000 2.259 475 E HA 0.180 4.530 4.350 -0.000 0.000 0.281 475 E C -2.009 174.641 176.600 0.082 0.000 1.037 475 E CA -1.780 54.678 56.400 0.096 0.000 0.854 475 E CB 0.578 30.322 29.700 0.073 0.000 1.051 475 E HN 0.461 nan 8.360 nan 0.000 0.409 476 P HA 0.148 nan 4.420 nan 0.000 0.269 476 P C -2.346 174.976 177.300 0.036 0.000 1.215 476 P CA -0.950 62.178 63.100 0.047 0.000 0.780 476 P CB -0.500 31.230 31.700 0.050 0.000 0.898 477 P HA 0.140 nan 4.420 nan 0.000 0.267 477 P C -1.007 176.299 177.300 0.010 0.000 1.200 477 P CA 0.026 63.122 63.100 -0.006 0.000 0.772 477 P CB 0.308 31.995 31.700 -0.020 0.000 0.855 478 L N 2.370 123.590 121.223 -0.005 0.000 2.439 478 L HA 0.405 4.744 4.340 -0.000 0.000 0.270 478 L C -1.015 175.847 176.870 -0.012 0.000 0.972 478 L CA -0.537 54.310 54.840 0.012 0.000 0.836 478 L CB 1.674 43.746 42.059 0.022 0.000 1.255 478 L HN 0.101 nan 8.230 nan 0.000 0.404 479 D N 3.542 123.937 120.400 -0.007 0.000 2.343 479 D HA 0.445 5.085 4.640 -0.000 0.000 0.255 479 D C -0.337 175.953 176.300 -0.018 0.000 1.187 479 D CA 0.524 54.511 54.000 -0.021 0.000 0.875 479 D CB 1.134 41.918 40.800 -0.026 0.000 1.136 479 D HN 0.421 nan 8.370 nan 0.000 0.469 480 V N 0.462 120.355 119.914 -0.035 0.000 2.960 480 V HA 0.549 4.669 4.120 -0.000 0.000 0.315 480 V C -0.371 175.680 176.094 -0.071 0.000 1.087 480 V CA -1.345 60.927 62.300 -0.045 0.000 0.982 480 V CB 1.739 33.537 31.823 -0.042 0.000 1.039 480 V HN 0.317 nan 8.190 nan 0.000 0.437 481 L N 2.382 123.540 121.223 -0.107 0.000 2.410 481 L HA 0.513 4.853 4.340 -0.000 0.000 0.273 481 L C 0.031 176.831 176.870 -0.116 0.000 1.152 481 L CA 0.427 55.168 54.840 -0.166 0.000 0.855 481 L CB 0.421 42.297 42.059 -0.306 0.000 1.129 481 L HN 1.007 nan 8.230 nan 0.000 0.463 482 K N 4.325 124.666 120.400 -0.098 0.000 2.413 482 K HA 0.577 4.896 4.320 -0.000 0.000 0.257 482 K C -1.652 174.922 176.600 -0.044 0.000 0.946 482 K CA -0.761 55.493 56.287 -0.054 0.000 0.823 482 K CB 1.554 34.033 32.500 -0.035 0.000 1.109 482 K HN 0.518 nan 8.250 nan 0.000 0.427 483 V N 3.340 123.241 119.914 -0.022 0.000 2.465 483 V HA 0.098 4.217 4.120 -0.000 0.000 0.279 483 V C -0.310 175.786 176.094 0.003 0.000 1.045 483 V CA -0.497 61.810 62.300 0.013 0.000 0.938 483 V CB 1.340 33.191 31.823 0.046 0.000 0.986 483 V HN 0.826 nan 8.190 nan 0.000 0.467 484 D N 3.773 124.179 120.400 0.010 0.000 2.411 484 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 484 D C 1.239 177.540 176.300 0.002 0.000 1.156 484 D CA 0.087 54.086 54.000 -0.001 0.000 0.874 484 D CB 0.369 41.169 40.800 -0.000 0.000 1.034 484 D HN 0.559 nan 8.370 nan 0.000 0.502 485 N N 2.686 121.381 118.700 -0.007 0.000 2.069 485 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 485 N C 1.569 177.077 175.510 -0.003 0.000 1.031 485 N CA 1.641 54.688 53.050 -0.005 0.000 0.852 485 N CB 0.097 38.574 38.487 -0.016 0.000 1.018 485 N HN 0.467 nan 8.380 nan 0.000 0.423 486 S N -0.586 115.110 115.700 -0.007 0.000 2.370 486 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 486 S C 2.156 176.754 174.600 -0.002 0.000 1.033 486 S CA 2.059 60.256 58.200 -0.005 0.000 1.011 486 S CB -1.134 62.062 63.200 -0.006 0.000 0.852 486 S HN 0.473 nan 8.310 nan 0.000 0.457 487 T N 0.890 115.443 114.554 -0.002 0.000 2.904 487 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 487 T C 1.716 176.415 174.700 -0.002 0.000 1.059 487 T CA 1.335 63.433 62.100 -0.002 0.000 1.137 487 T CB -0.630 68.236 68.868 -0.002 0.000 0.879 487 T HN 0.329 nan 8.240 nan 0.000 0.467 488 V N 1.527 121.441 119.914 0.001 0.000 2.307 488 V HA -0.026 4.094 4.120 -0.000 0.000 0.245 488 V C 2.556 178.652 176.094 0.004 0.000 1.045 488 V CA 1.402 63.702 62.300 -0.000 0.000 1.024 488 V CB -0.984 30.842 31.823 0.006 0.000 0.651 488 V HN 0.370 nan 8.190 nan 0.000 0.449 489 L N 1.123 122.349 121.223 0.006 0.000 1.989 489 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 489 L C 2.562 179.436 176.870 0.007 0.000 1.071 489 L CA 2.487 57.332 54.840 0.007 0.000 0.749 489 L CB -1.058 41.003 42.059 0.004 0.000 0.890 489 L HN 0.247 nan 8.230 nan 0.000 0.431 490 A N -1.029 121.793 122.820 0.004 0.000 1.883 490 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 490 A C 2.153 179.740 177.584 0.005 0.000 1.186 490 A CA 1.968 54.008 52.037 0.004 0.000 0.624 490 A CB -0.704 18.296 19.000 0.001 0.000 0.822 490 A HN 0.630 nan 8.150 nan 0.000 0.444 491 E N -0.793 119.409 120.200 0.002 0.000 2.077 491 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 491 E C 2.320 178.928 176.600 0.013 0.000 0.989 491 E CA 1.248 57.648 56.400 0.001 0.000 0.800 491 E CB -0.174 29.520 29.700 -0.010 0.000 0.746 491 E HN 0.526 nan 8.360 nan 0.000 0.452 492 Q N 0.927 120.737 119.800 0.017 0.000 2.046 492 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 492 Q C 1.982 178.003 176.000 0.035 0.000 0.975 492 Q CA 1.294 57.115 55.803 0.030 0.000 0.836 492 Q CB -0.232 28.521 28.738 0.026 0.000 0.896 492 Q HN 0.185 nan 8.270 nan 0.000 0.428 493 K N 0.400 120.815 120.400 0.025 0.000 2.026 493 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 493 K C 2.085 178.703 176.600 0.031 0.000 1.048 493 K CA 1.298 57.599 56.287 0.024 0.000 0.929 493 K CB -0.264 32.245 32.500 0.016 0.000 0.713 493 K HN 0.179 nan 8.250 nan 0.000 0.439 494 A N 1.723 124.559 122.820 0.028 0.000 1.917 494 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 494 A C 1.920 179.537 177.584 0.055 0.000 1.182 494 A CA 1.791 53.846 52.037 0.030 0.000 0.633 494 A CB -0.394 18.615 19.000 0.016 0.000 0.819 494 A HN 0.213 nan 8.150 nan 0.000 0.448 495 K N -0.745 119.700 120.400 0.076 0.000 2.057 495 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 495 K C 1.889 178.609 176.600 0.200 0.000 1.049 495 K CA 1.381 57.763 56.287 0.157 0.000 0.931 495 K CB -0.338 32.266 32.500 0.172 0.000 0.714 495 K HN 0.483 nan 8.250 nan 0.000 0.440 496 L N 0.354 121.639 121.223 0.102 0.000 2.093 496 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 496 L C 2.294 179.190 176.870 0.043 0.000 1.085 496 L CA 0.659 55.528 54.840 0.049 0.000 0.755 496 L CB -0.276 41.799 42.059 0.026 0.000 0.904 496 L HN -0.020 nan 8.230 nan 0.000 0.435 497 V N 0.220 120.165 119.914 0.050 0.000 2.261 497 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 497 V C 2.571 178.701 176.094 0.060 0.000 1.047 497 V CA 2.090 64.414 62.300 0.040 0.000 1.015 497 V CB -0.510 31.332 31.823 0.032 0.000 0.642 497 V HN 0.468 nan 8.190 nan 0.000 0.446 498 K N -0.081 120.377 120.400 0.098 0.000 2.020 498 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 498 K C 2.225 178.938 176.600 0.188 0.000 1.050 498 K CA 2.235 58.605 56.287 0.138 0.000 0.929 498 K CB -0.412 32.178 32.500 0.151 0.000 0.714 498 K HN 0.307 nan 8.250 nan 0.000 0.443 499 L N 1.693 123.044 121.223 0.213 0.000 1.990 499 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 499 L C 2.520 179.359 176.870 -0.052 0.000 1.072 499 L CA 1.789 56.598 54.840 -0.051 0.000 0.755 499 L CB -0.368 41.491 42.059 -0.334 0.000 0.889 499 L HN 0.198 nan 8.230 nan 0.000 0.432 500 R N -0.897 119.588 120.500 -0.025 0.000 2.081 500 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 500 R C 2.217 178.516 176.300 -0.002 0.000 1.131 500 R CA 1.381 57.469 56.100 -0.020 0.000 0.960 500 R CB -0.658 29.636 30.300 -0.010 0.000 0.856 500 R HN 0.574 nan 8.270 nan 0.000 0.436 501 A N 0.692 123.523 122.820 0.018 0.000 1.873 501 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 501 A C 2.075 179.674 177.584 0.026 0.000 1.186 501 A CA 1.550 53.600 52.037 0.022 0.000 0.616 501 A CB -0.438 18.581 19.000 0.031 0.000 0.823 501 A HN 0.211 nan 8.150 nan 0.000 0.442 502 E N -0.332 119.896 120.200 0.046 0.000 2.208 502 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 502 E C 1.172 177.788 176.600 0.026 0.000 0.988 502 E CA 0.808 57.240 56.400 0.054 0.000 0.828 502 E CB -0.388 29.385 29.700 0.122 0.000 0.763 502 E HN 0.834 nan 8.360 nan 0.000 0.478 503 R N 0.413 120.911 120.500 -0.003 0.000 2.580 503 R HA 0.343 4.683 4.340 -0.000 0.000 0.267 503 R C -0.228 176.063 176.300 -0.015 0.000 1.125 503 R CA -0.473 55.614 56.100 -0.021 0.000 1.188 503 R CB 0.310 30.577 30.300 -0.054 0.000 1.155 503 R HN -0.081 nan 8.270 nan 0.000 0.586 504 D N 0.589 120.977 120.400 -0.020 0.000 2.373 504 D HA 0.213 4.853 4.640 -0.000 0.000 0.227 504 D C -1.727 174.559 176.300 -0.023 0.000 1.091 504 D CA -2.734 51.256 54.000 -0.018 0.000 0.840 504 D CB 1.674 42.463 40.800 -0.017 0.000 1.060 504 D HN 0.271 nan 8.370 nan 0.000 0.502 505 P HA -0.071 nan 4.420 nan 0.000 0.220 505 P C 1.059 178.345 177.300 -0.023 0.000 1.148 505 P CA 1.179 64.265 63.100 -0.022 0.000 0.803 505 P CB 0.305 31.994 31.700 -0.018 0.000 0.782 506 E N 1.674 121.860 120.200 -0.023 0.000 2.006 506 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 506 E C 1.924 178.506 176.600 -0.030 0.000 0.993 506 E CA 1.595 57.980 56.400 -0.025 0.000 0.808 506 E CB -1.391 nan 29.700 nan 0.000 0.764 506 E HN 0.295 nan 8.360 nan 0.000 0.449 507 K N -0.069 120.312 120.400 -0.030 0.000 2.032 507 K HA -0.175 4.145 4.320 -0.000 0.000 0.218 507 K C 2.363 178.941 176.600 -0.036 0.000 1.054 507 K CA 1.836 58.103 56.287 -0.034 0.000 0.941 507 K CB -0.820 31.661 32.500 -0.031 0.000 0.720 507 K HN 0.246 nan 8.250 nan 0.000 0.449 508 V N 1.752 121.644 119.914 -0.036 0.000 2.231 508 V HA -0.332 3.787 4.120 -0.000 0.000 0.250 508 V C 2.438 178.510 176.094 -0.036 0.000 1.058 508 V CA 1.998 64.275 62.300 -0.039 0.000 1.022 508 V CB -0.488 31.311 31.823 -0.040 0.000 0.640 508 V HN 0.378 nan 8.190 nan 0.000 0.445 509 K N -0.362 120.019 120.400 -0.032 0.000 2.032 509 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 509 K C 2.231 178.811 176.600 -0.033 0.000 1.048 509 K CA 1.674 57.944 56.287 -0.029 0.000 0.927 509 K CB -0.368 32.116 32.500 -0.026 0.000 0.712 509 K HN 0.459 nan 8.250 nan 0.000 0.441 510 A N 1.106 123.903 122.820 -0.039 0.000 1.851 510 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 510 A C 2.348 179.905 177.584 -0.046 0.000 1.195 510 A CA 2.141 54.148 52.037 -0.049 0.000 0.622 510 A CB -0.995 17.972 19.000 -0.054 0.000 0.831 510 A HN 0.472 nan 8.150 nan 0.000 0.444 511 A N -0.294 122.501 122.820 -0.042 0.000 1.873 511 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 511 A C 2.234 179.799 177.584 -0.031 0.000 1.193 511 A CA 1.733 53.748 52.037 -0.038 0.000 0.629 511 A CB -0.776 18.201 19.000 -0.039 0.000 0.826 511 A HN 0.496 nan 8.150 nan 0.000 0.447 512 L N -0.800 120.404 121.223 -0.032 0.000 2.012 512 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 512 L C 2.294 179.152 176.870 -0.021 0.000 1.073 512 L CA 1.762 56.584 54.840 -0.030 0.000 0.748 512 L CB -0.758 41.282 42.059 -0.031 0.000 0.891 512 L HN 0.323 nan 8.230 nan 0.000 0.431 513 D N -0.102 120.289 120.400 -0.015 0.000 2.144 513 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 513 D C 2.153 178.480 176.300 0.044 0.000 0.984 513 D CA 1.048 55.050 54.000 0.003 0.000 0.834 513 D CB -0.009 40.785 40.800 -0.010 0.000 0.955 513 D HN 0.154 nan 8.370 nan 0.000 0.465 514 K N 0.151 120.565 120.400 0.022 0.000 2.063 514 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 514 K C 2.200 178.890 176.600 0.149 0.000 1.048 514 K CA 0.805 57.136 56.287 0.074 0.000 0.928 514 K CB -0.120 32.376 32.500 -0.007 0.000 0.713 514 K HN 0.132 nan 8.250 nan 0.000 0.442 515 I N 0.464 121.063 120.570 0.049 0.000 2.127 515 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 515 I C 2.175 178.267 176.117 -0.042 0.000 1.075 515 I CA 1.638 62.936 61.300 -0.003 0.000 1.334 515 I CB -0.593 37.377 38.000 -0.050 0.000 1.040 515 I HN 0.230 nan 8.210 nan 0.000 0.405 516 T N -0.250 114.276 114.554 -0.047 0.000 2.720 516 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 516 T C 1.365 176.033 174.700 -0.053 0.000 1.037 516 T CA 1.743 63.783 62.100 -0.100 0.000 1.144 516 T CB -0.592 68.240 68.868 -0.060 0.000 0.864 516 T HN 0.562 nan 8.240 nan 0.000 0.444 517 W N 2.262 123.494 121.300 -0.113 0.000 2.332 517 W HA -0.135 4.525 4.660 -0.000 0.000 0.321 517 W C 2.646 179.113 176.519 -0.087 0.000 1.219 517 W CA 1.553 58.847 57.345 -0.085 0.000 1.277 517 W CB -0.758 28.665 29.460 -0.062 0.000 1.161 517 W HN 0.240 nan 8.180 nan 0.000 0.476 518 A N 0.891 123.681 122.820 -0.051 0.000 1.908 518 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 518 A C 2.129 179.536 177.584 -0.294 0.000 1.181 518 A CA 2.989 54.856 52.037 -0.283 0.000 0.627 518 A CB -1.679 17.315 19.000 -0.009 0.000 0.818 518 A HN 0.565 nan 8.150 nan 0.000 0.445 519 A N -0.599 122.055 122.820 -0.276 0.000 1.883 519 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 519 A C 2.431 179.834 177.584 -0.302 0.000 1.186 519 A CA 2.113 53.916 52.037 -0.391 0.000 0.624 519 A CB -1.431 17.080 19.000 -0.814 0.000 0.822 519 A HN 0.826 nan 8.150 nan 0.000 0.444 520 G N -0.888 107.726 108.800 -0.310 0.000 2.443 520 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.219 520 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.219 520 G C 0.558 175.284 174.900 -0.290 0.000 1.131 520 G CA 0.495 45.449 45.100 -0.244 0.000 0.775 520 G HN 0.525 nan 8.290 nan 0.000 0.547 521 N N 1.362 119.779 118.700 -0.470 0.000 2.851 521 N HA 0.244 4.984 4.740 -0.000 0.000 0.248 521 N C -3.103 172.162 175.510 -0.407 0.000 1.221 521 N CA -0.921 51.836 53.050 -0.487 0.000 0.847 521 N CB 2.077 40.079 38.487 -0.810 0.000 1.150 521 N HN 0.136 nan 8.380 nan 0.000 0.507 522 P HA 0.143 nan 4.420 nan 0.000 0.275 522 P C -0.764 176.471 177.300 -0.108 0.000 1.276 522 P CA 0.060 63.074 63.100 -0.144 0.000 0.782 522 P CB 0.763 32.417 31.700 -0.076 0.000 0.851 523 D N 2.746 123.091 120.400 -0.092 0.000 2.454 523 D HA 0.079 4.719 4.640 -0.000 0.000 0.247 523 D C 0.820 177.109 176.300 -0.018 0.000 1.129 523 D CA -0.435 53.537 54.000 -0.046 0.000 0.877 523 D CB 0.662 41.446 40.800 -0.027 0.000 1.082 523 D HN 0.203 nan 8.370 nan 0.000 0.537 524 D N 2.436 122.829 120.400 -0.013 0.000 2.263 524 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 524 D C 0.912 177.219 176.300 0.012 0.000 0.971 524 D CA 1.131 55.130 54.000 -0.001 0.000 0.867 524 D CB 0.143 40.941 40.800 -0.004 0.000 0.929 524 D HN 0.169 nan 8.370 nan 0.000 0.492 525 K N -0.486 119.922 120.400 0.014 0.000 2.487 525 K HA 0.118 4.437 4.320 -0.000 0.000 0.192 525 K C -0.248 176.370 176.600 0.030 0.000 1.027 525 K CA 0.290 56.590 56.287 0.021 0.000 1.054 525 K CB 0.213 32.725 32.500 0.019 0.000 0.824 525 K HN 0.134 nan 8.250 nan 0.000 0.510 526 D N 0.148 120.570 120.400 0.036 0.000 2.464 526 D HA 0.144 4.784 4.640 -0.000 0.000 0.243 526 D C -1.890 174.447 176.300 0.062 0.000 1.104 526 D CA -2.582 51.450 54.000 0.054 0.000 0.883 526 D CB 1.249 42.093 40.800 0.073 0.000 1.050 526 D HN -0.175 nan 8.370 nan 0.000 0.524 527 P HA -0.126 nan 4.420 nan 0.000 0.216 527 P C 0.635 177.990 177.300 0.091 0.000 1.153 527 P CA 0.922 64.065 63.100 0.071 0.000 0.858 527 P CB 0.348 32.080 31.700 0.052 0.000 0.789 528 D N -0.826 119.625 120.400 0.086 0.000 2.351 528 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 528 D C 1.881 178.254 176.300 0.122 0.000 0.968 528 D CA 0.749 54.803 54.000 0.091 0.000 0.899 528 D CB -0.142 40.702 40.800 0.073 0.000 0.907 528 D HN 0.291 nan 8.370 nan 0.000 0.514 529 R N 0.693 121.281 120.500 0.147 0.000 2.334 529 R HA 0.010 4.350 4.340 -0.000 0.000 0.212 529 R C 0.651 177.003 176.300 0.088 0.000 0.897 529 R CA -0.302 55.905 56.100 0.177 0.000 1.056 529 R CB 0.260 30.652 30.300 0.153 0.000 1.046 529 R HN -0.044 nan 8.270 nan 0.000 0.513 530 N N 1.613 120.359 118.700 0.076 0.000 2.357 530 N HA -0.113 4.627 4.740 -0.000 0.000 0.257 530 N C 1.062 176.577 175.510 0.009 0.000 1.250 530 N CA 0.214 53.296 53.050 0.053 0.000 0.862 530 N CB 0.740 39.295 38.487 0.113 0.000 1.066 530 N HN 0.207 nan 8.380 nan 0.000 0.468 531 L N 3.200 124.414 121.223 -0.015 0.000 2.042 531 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 531 L C 2.297 179.108 176.870 -0.097 0.000 1.076 531 L CA 0.935 55.748 54.840 -0.044 0.000 0.749 531 L CB -0.438 41.607 42.059 -0.024 0.000 0.893 531 L HN 0.567 nan 8.230 nan 0.000 0.432 532 L N 0.257 121.386 121.223 -0.157 0.000 2.017 532 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 532 L C 2.587 179.223 176.870 -0.390 0.000 1.073 532 L CA 1.851 56.506 54.840 -0.308 0.000 0.745 532 L CB -0.865 40.925 42.059 -0.448 0.000 0.894 532 L HN 0.144 nan 8.230 nan 0.000 0.432 533 K N -0.150 120.045 120.400 -0.341 0.000 2.063 533 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 533 K C 2.082 178.627 176.600 -0.092 0.000 1.048 533 K CA 2.009 58.189 56.287 -0.178 0.000 0.928 533 K CB -0.382 32.160 32.500 0.069 0.000 0.713 533 K HN 0.479 nan 8.250 nan 0.000 0.442 534 L N 0.228 121.417 121.223 -0.056 0.000 2.217 534 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 534 L C 2.769 179.602 176.870 -0.061 0.000 1.107 534 L CA 0.571 55.391 54.840 -0.033 0.000 0.783 534 L CB -0.387 41.676 42.059 0.007 0.000 0.919 534 L HN 0.226 nan 8.230 nan 0.000 0.442 535 C N 0.113 119.358 119.300 -0.092 0.000 2.440 535 C HA -0.115 4.345 4.460 -0.000 0.000 0.278 535 C C 2.743 177.673 174.990 -0.100 0.000 1.295 535 C CA 0.450 59.411 59.018 -0.094 0.000 1.738 535 C CB -0.525 27.153 27.740 -0.104 0.000 1.987 535 C HN 0.423 nan 8.230 nan 0.000 0.492 536 I N 0.997 121.490 120.570 -0.129 0.000 2.208 536 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 536 I C 2.155 178.230 176.117 -0.070 0.000 1.097 536 I CA 1.615 62.848 61.300 -0.112 0.000 1.363 536 I CB -0.480 37.435 38.000 -0.142 0.000 1.051 536 I HN 0.364 nan 8.210 nan 0.000 0.413 537 D N 0.884 121.250 120.400 -0.058 0.000 2.097 537 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 537 D C 2.295 178.568 176.300 -0.045 0.000 0.984 537 D CA 1.609 55.585 54.000 -0.041 0.000 0.826 537 D CB -0.237 40.545 40.800 -0.031 0.000 0.973 537 D HN 0.354 nan 8.370 nan 0.000 0.460 538 A N 1.073 123.863 122.820 -0.049 0.000 1.877 538 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 538 A C 2.407 179.958 177.584 -0.055 0.000 1.186 538 A CA 2.214 54.221 52.037 -0.050 0.000 0.620 538 A CB -1.176 17.794 19.000 -0.051 0.000 0.822 538 A HN 0.304 nan 8.150 nan 0.000 0.443 539 G N -0.796 107.969 108.800 -0.058 0.000 2.442 539 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 539 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 539 G C 1.738 176.607 174.900 -0.052 0.000 1.141 539 G CA 1.054 46.119 45.100 -0.057 0.000 0.763 539 G HN 0.555 nan 8.290 nan 0.000 0.554 540 R N 0.514 120.987 120.500 -0.045 0.000 2.115 540 R HA 0.082 4.422 4.340 -0.000 0.000 0.230 540 R C 2.591 178.868 176.300 -0.037 0.000 1.111 540 R CA 1.192 57.271 56.100 -0.036 0.000 0.976 540 R CB -0.251 30.030 30.300 -0.031 0.000 0.870 540 R HN 0.295 nan 8.270 nan 0.000 0.445 541 A N -0.042 122.751 122.820 -0.044 0.000 2.238 541 A HA 0.096 4.416 4.320 -0.000 0.000 0.208 541 A C 0.977 178.524 177.584 -0.061 0.000 1.177 541 A CA 0.668 52.678 52.037 -0.045 0.000 0.804 541 A CB -0.071 18.903 19.000 -0.043 0.000 0.823 541 A HN 0.546 nan 8.150 nan 0.000 0.482 542 M N -2.992 116.559 119.600 -0.082 0.000 2.985 542 M HA -0.160 4.319 4.480 -0.000 0.000 0.222 542 M C 0.389 176.618 176.300 -0.119 0.000 0.535 542 M CA 0.257 55.480 55.300 -0.127 0.000 0.813 542 M CB -2.092 30.416 32.600 -0.154 0.000 2.924 542 M HN 0.566 nan 8.290 nan 0.000 0.437 543 A N 0.593 123.361 122.820 -0.087 0.000 2.386 543 A HA 0.652 4.972 4.320 -0.000 0.000 0.248 543 A C 0.837 178.373 177.584 -0.080 0.000 1.082 543 A CA 0.528 52.521 52.037 -0.074 0.000 0.789 543 A CB 0.355 19.320 19.000 -0.058 0.000 1.025 543 A HN 0.522 nan 8.150 nan 0.000 0.490 544 T N -1.426 113.087 114.554 -0.068 0.000 2.862 544 T HA 0.402 4.752 4.350 -0.000 0.000 0.276 544 T C 1.137 175.807 174.700 -0.049 0.000 0.974 544 T CA -0.072 61.992 62.100 -0.061 0.000 0.966 544 T CB 0.771 69.611 68.868 -0.047 0.000 1.072 544 T HN 0.383 nan 8.240 nan 0.000 0.538 545 V N 1.568 121.454 119.914 -0.046 0.000 2.295 545 V HA -0.006 4.114 4.120 -0.000 0.000 0.246 545 V C 2.904 178.966 176.094 -0.054 0.000 1.049 545 V CA 2.469 64.734 62.300 -0.057 0.000 1.024 545 V CB -1.550 30.230 31.823 -0.071 0.000 0.648 545 V HN 1.107 nan 8.190 nan 0.000 0.447 546 G N -0.781 107.996 108.800 -0.038 0.000 2.421 546 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 546 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 546 G C 1.450 176.338 174.900 -0.020 0.000 1.171 546 G CA 0.936 46.019 45.100 -0.029 0.000 0.775 546 G HN 0.554 nan 8.290 nan 0.000 0.543 547 E N -0.084 120.105 120.200 -0.019 0.000 2.038 547 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 547 E C 2.654 179.240 176.600 -0.023 0.000 1.000 547 E CA 1.333 57.721 56.400 -0.019 0.000 0.803 547 E CB -0.224 29.459 29.700 -0.028 0.000 0.750 547 E HN 0.404 nan 8.360 nan 0.000 0.448 548 M N 0.361 119.942 119.600 -0.031 0.000 2.149 548 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 548 M C 2.357 178.651 176.300 -0.009 0.000 1.064 548 M CA 1.207 56.488 55.300 -0.032 0.000 1.102 548 M CB -0.119 32.456 32.600 -0.041 0.000 1.369 548 M HN 0.002 nan 8.290 nan 0.000 0.408 549 S N 0.208 115.913 115.700 0.009 0.000 2.406 549 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 549 S C 1.344 176.004 174.600 0.101 0.000 1.020 549 S CA 1.019 59.270 58.200 0.085 0.000 0.965 549 S CB -0.321 62.874 63.200 -0.007 0.000 0.798 549 S HN 0.424 nan 8.310 nan 0.000 0.488 550 D N 2.091 122.508 120.400 0.029 0.000 2.117 550 D HA 0.055 4.695 4.640 -0.000 0.000 0.198 550 D C 2.207 178.510 176.300 0.005 0.000 0.982 550 D CA 1.134 55.153 54.000 0.031 0.000 0.828 550 D CB -0.555 40.256 40.800 0.019 0.000 0.967 550 D HN 0.357 nan 8.370 nan 0.000 0.464 551 A N 0.821 123.625 122.820 -0.027 0.000 1.917 551 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 551 A C 2.356 179.848 177.584 -0.152 0.000 1.182 551 A CA 1.255 53.250 52.037 -0.071 0.000 0.633 551 A CB -0.844 18.118 19.000 -0.063 0.000 0.819 551 A HN 0.243 nan 8.150 nan 0.000 0.448 552 L N -1.323 119.784 121.223 -0.193 0.000 2.179 552 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 552 L C 2.564 179.167 176.870 -0.445 0.000 1.096 552 L CA 1.339 55.901 54.840 -0.463 0.000 0.779 552 L CB -0.430 41.371 42.059 -0.429 0.000 0.922 552 L HN 0.531 nan 8.230 nan 0.000 0.443 553 E N 0.426 120.608 120.200 -0.030 0.000 2.110 553 E HA -0.225 4.124 4.350 -0.000 0.000 0.193 553 E C 1.995 178.613 176.600 0.030 0.000 0.988 553 E CA 0.862 57.359 56.400 0.161 0.000 0.804 553 E CB 0.263 30.099 29.700 0.228 0.000 0.745 553 E HN 0.235 nan 8.360 nan 0.000 0.458 554 K N 0.151 120.522 120.400 -0.048 0.000 2.034 554 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 554 K C 2.147 178.704 176.600 -0.073 0.000 1.051 554 K CA 1.320 57.575 56.287 -0.052 0.000 0.931 554 K CB -0.661 31.792 32.500 -0.078 0.000 0.715 554 K HN 0.144 nan 8.250 nan 0.000 0.446 555 V N 0.108 119.910 119.914 -0.186 0.000 2.500 555 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 555 V C 2.062 178.165 176.094 0.017 0.000 1.039 555 V CA 1.131 63.334 62.300 -0.161 0.000 1.053 555 V CB -0.415 31.194 31.823 -0.357 0.000 0.695 555 V HN 0.025 nan 8.190 nan 0.000 0.463 556 F N 0.975 120.885 119.950 -0.067 0.000 2.416 556 F HA 0.481 5.008 4.527 -0.000 0.000 0.296 556 F C 1.649 177.505 175.800 0.092 0.000 1.099 556 F CA 0.366 58.346 58.000 -0.033 0.000 1.427 556 F CB -1.175 37.707 39.000 -0.197 0.000 1.079 556 F HN 0.280 nan 8.300 nan 0.000 0.536 557 G N 0.777 109.755 108.800 0.297 0.000 2.829 557 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.628 557 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.628 557 G C -0.372 174.734 174.900 0.343 0.000 1.412 557 G CA -0.827 44.425 45.100 0.253 0.000 0.864 557 G HN 0.334 nan 8.290 nan 0.000 0.544 558 R N -0.740 119.906 120.500 0.244 0.000 2.589 558 R HA 0.555 4.895 4.340 -0.000 0.000 0.293 558 R C -0.488 175.969 176.300 0.263 0.000 0.963 558 R CA -0.778 55.459 56.100 0.228 0.000 0.905 558 R CB 1.442 31.831 30.300 0.149 0.000 1.144 558 R HN 0.635 nan 8.270 nan 0.000 0.459 559 Y N 1.007 121.413 120.300 0.178 0.000 2.320 559 Y HA 0.311 4.861 4.550 -0.000 0.000 0.324 559 Y C -0.657 175.370 175.900 0.210 0.000 1.190 559 Y CA 0.194 58.383 58.100 0.148 0.000 1.215 559 Y CB 1.589 40.121 38.460 0.120 0.000 1.221 559 Y HN 0.438 nan 8.280 nan 0.000 0.486 560 T N 5.201 119.505 114.554 -0.416 0.000 2.848 560 T HA 0.721 5.071 4.350 -0.000 0.000 0.285 560 T C -0.844 173.465 174.700 -0.652 0.000 0.995 560 T CA -0.594 61.361 62.100 -0.243 0.000 0.970 560 T CB 1.144 69.947 68.868 -0.108 0.000 0.976 560 T HN 0.829 nan 8.240 nan 0.000 0.441 561 A N 2.536 125.204 122.820 -0.254 0.000 2.293 561 A HA 0.666 4.986 4.320 -0.000 0.000 0.302 561 A C 0.056 177.578 177.584 -0.102 0.000 1.119 561 A CA -0.700 51.229 52.037 -0.180 0.000 0.823 561 A CB 0.714 19.801 19.000 0.145 0.000 1.097 561 A HN 0.794 nan 8.150 nan 0.000 0.491 562 Q N 1.392 121.149 119.800 -0.072 0.000 2.243 562 Q HA 0.444 4.784 4.340 -0.000 0.000 0.252 562 Q C -0.964 175.031 176.000 -0.010 0.000 0.909 562 Q CA -0.562 55.215 55.803 -0.044 0.000 0.922 562 Q CB 0.599 29.314 28.738 -0.039 0.000 1.215 562 Q HN 0.595 nan 8.270 nan 0.000 0.427 563 I N 3.852 124.415 120.570 -0.011 0.000 2.440 563 I HA 0.390 4.560 4.170 -0.000 0.000 0.294 563 I C -0.008 176.107 176.117 -0.004 0.000 0.995 563 I CA -0.112 61.185 61.300 -0.005 0.000 1.306 563 I CB 1.222 39.215 38.000 -0.013 0.000 1.407 563 I HN 0.746 nan 8.210 nan 0.000 0.501 564 R N 3.149 123.649 120.500 0.000 0.000 2.533 564 R HA 0.523 4.863 4.340 -0.000 0.000 0.288 564 R C -1.126 175.174 176.300 0.001 0.000 1.039 564 R CA -0.551 55.550 56.100 0.001 0.000 0.909 564 R CB 2.368 32.669 30.300 0.002 0.000 1.195 564 R HN 0.575 nan 8.270 nan 0.000 0.438 565 T N 4.037 118.592 114.554 0.001 0.000 2.824 565 T HA 0.396 4.746 4.350 -0.000 0.000 0.282 565 T C 0.478 175.183 174.700 0.007 0.000 0.993 565 T CA -0.762 61.338 62.100 0.001 0.000 0.967 565 T CB 1.037 69.903 68.868 -0.003 0.000 0.960 565 T HN 0.523 nan 8.240 nan 0.000 0.441 566 I N 0.847 121.423 120.570 0.009 0.000 3.004 566 I HA 0.658 4.828 4.170 -0.000 0.000 0.287 566 I C -0.029 176.102 176.117 0.023 0.000 1.144 566 I CA -0.314 60.996 61.300 0.016 0.000 1.353 566 I CB 0.680 38.690 38.000 0.017 0.000 1.417 566 I HN 0.582 nan 8.210 nan 0.000 0.602 567 S N 1.405 117.122 115.700 0.029 0.000 2.549 567 S HA 0.672 5.142 4.470 -0.000 0.000 0.280 567 S C 0.285 174.913 174.600 0.046 0.000 1.109 567 S CA -0.275 57.949 58.200 0.039 0.000 0.905 567 S CB 1.331 64.551 63.200 0.034 0.000 1.081 567 S HN 1.647 nan 8.310 nan 0.000 0.477 568 G N 0.423 109.260 108.800 0.062 0.000 2.225 568 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.267 568 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.267 568 G C 0.401 175.339 174.900 0.063 0.000 1.024 568 G CA 0.446 45.584 45.100 0.065 0.000 0.784 568 G HN 0.880 nan 8.290 nan 0.000 0.507 569 V N -1.111 118.851 119.914 0.080 0.000 2.521 569 V HA 0.058 4.178 4.120 -0.000 0.000 0.239 569 V C 2.010 178.153 176.094 0.081 0.000 1.053 569 V CA 1.858 64.197 62.300 0.064 0.000 1.073 569 V CB -0.896 30.962 31.823 0.058 0.000 0.746 569 V HN 0.458 nan 8.190 nan 0.000 0.476 570 Y N 2.481 122.790 120.300 0.014 0.000 2.053 570 Y HA -0.338 4.212 4.550 -0.000 0.000 0.277 570 Y C 2.953 178.867 175.900 0.023 0.000 1.159 570 Y CA 2.552 60.663 58.100 0.020 0.000 1.125 570 Y CB -0.442 38.033 38.460 0.025 0.000 0.969 570 Y HN 0.356 nan 8.280 nan 0.000 0.492 571 S N 0.011 115.819 115.700 0.180 0.000 2.359 571 S HA -0.313 4.157 4.470 -0.000 0.000 0.224 571 S C 2.121 176.708 174.600 -0.022 0.000 1.035 571 S CA 1.656 59.899 58.200 0.072 0.000 1.018 571 S CB -0.771 62.503 63.200 0.123 0.000 0.876 571 S HN 0.583 nan 8.310 nan 0.000 0.448 572 K N 1.229 121.626 120.400 -0.005 0.000 2.032 572 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 572 K C 2.295 178.866 176.600 -0.049 0.000 1.048 572 K CA 1.713 57.989 56.287 -0.018 0.000 0.927 572 K CB -0.326 32.173 32.500 -0.001 0.000 0.712 572 K HN 0.377 nan 8.250 nan 0.000 0.441 573 E N 0.332 120.486 120.200 -0.077 0.000 2.035 573 E HA -0.147 4.203 4.350 -0.000 0.000 0.204 573 E C -0.026 176.512 176.600 -0.104 0.000 1.025 573 E CA 1.565 57.910 56.400 -0.091 0.000 0.835 573 E CB 0.135 29.769 29.700 -0.109 0.000 0.764 573 E HN 0.109 nan 8.360 nan 0.000 0.457 574 V N 2.023 121.839 119.914 -0.163 0.000 2.225 574 V HA 0.168 4.288 4.120 -0.000 0.000 0.264 574 V C -0.717 175.315 176.094 -0.104 0.000 1.067 574 V CA -0.417 61.811 62.300 -0.119 0.000 0.903 574 V CB 0.532 32.287 31.823 -0.113 0.000 1.136 574 V HN 0.173 nan 8.190 nan 0.000 0.456 575 K N 1.626 121.987 120.400 -0.065 0.000 2.295 575 K HA 0.324 4.644 4.320 -0.000 0.000 0.270 575 K C 0.688 177.274 176.600 -0.024 0.000 1.011 575 K CA -0.337 55.927 56.287 -0.038 0.000 0.953 575 K CB 0.194 32.680 32.500 -0.023 0.000 0.956 575 K HN 0.686 nan 8.250 nan 0.000 0.477 576 N N -1.171 117.523 118.700 -0.011 0.000 2.869 576 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 576 N C -0.671 174.839 175.510 -0.001 0.000 1.104 576 N CA 1.223 54.271 53.050 -0.003 0.000 0.760 576 N CB -1.637 36.848 38.487 -0.004 0.000 1.108 576 N HN 0.863 nan 8.380 nan 0.000 0.555 577 T N 0.967 115.521 114.554 -0.000 0.000 2.899 577 T HA 0.235 4.585 4.350 -0.000 0.000 0.295 577 T C -0.995 173.715 174.700 0.016 0.000 1.033 577 T CA -1.023 61.081 62.100 0.007 0.000 1.084 577 T CB 1.385 70.257 68.868 0.007 0.000 0.979 577 T HN 0.003 nan 8.240 nan 0.000 0.532 578 P HA -0.007 nan 4.420 nan 0.000 0.221 578 P C 0.855 178.168 177.300 0.022 0.000 1.150 578 P CA 0.918 64.028 63.100 0.016 0.000 0.800 578 P CB 0.338 32.046 31.700 0.014 0.000 0.787 579 E N -0.524 119.694 120.200 0.031 0.000 2.086 579 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 579 E C 2.109 178.736 176.600 0.045 0.000 0.975 579 E CA 0.573 56.996 56.400 0.039 0.000 0.813 579 E CB -1.215 28.514 29.700 0.049 0.000 0.768 579 E HN -0.036 nan 8.360 nan 0.000 0.457 580 V N 1.352 121.299 119.914 0.056 0.000 2.295 580 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 580 V C 2.548 178.666 176.094 0.040 0.000 1.049 580 V CA 2.500 64.840 62.300 0.067 0.000 1.024 580 V CB -1.211 30.659 31.823 0.079 0.000 0.648 580 V HN 0.482 nan 8.190 nan 0.000 0.447 581 E N 0.046 120.262 120.200 0.027 0.000 2.038 581 E HA -0.337 4.013 4.350 -0.000 0.000 0.195 581 E C 2.145 178.751 176.600 0.010 0.000 1.000 581 E CA 1.738 58.148 56.400 0.016 0.000 0.803 581 E CB -0.758 28.949 29.700 0.012 0.000 0.750 581 E HN 0.781 nan 8.360 nan 0.000 0.448 582 E N -0.229 119.978 120.200 0.012 0.000 2.058 582 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 582 E C 2.391 178.991 176.600 0.000 0.000 0.997 582 E CA 1.206 57.610 56.400 0.008 0.000 0.801 582 E CB -0.291 29.417 29.700 0.013 0.000 0.746 582 E HN 0.496 nan 8.360 nan 0.000 0.450 583 A N 1.150 123.972 122.820 0.004 0.000 1.877 583 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 583 A C 2.188 179.752 177.584 -0.034 0.000 1.186 583 A CA 1.682 53.713 52.037 -0.010 0.000 0.620 583 A CB -0.537 18.468 19.000 0.008 0.000 0.822 583 A HN 0.195 nan 8.150 nan 0.000 0.443 584 R N -0.662 119.828 120.500 -0.017 0.000 2.080 584 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 584 R C 2.276 178.553 176.300 -0.038 0.000 1.137 584 R CA 1.859 57.942 56.100 -0.027 0.000 0.943 584 R CB -0.397 29.902 30.300 -0.002 0.000 0.846 584 R HN 0.683 nan 8.270 nan 0.000 0.431 585 E N 0.443 120.629 120.200 -0.023 0.000 2.070 585 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 585 E C 1.976 178.560 176.600 -0.027 0.000 1.004 585 E CA 1.376 57.764 56.400 -0.020 0.000 0.805 585 E CB -0.097 29.597 29.700 -0.010 0.000 0.744 585 E HN 0.274 nan 8.360 nan 0.000 0.451 586 L N -0.042 121.161 121.223 -0.033 0.000 2.093 586 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 586 L C 2.354 179.185 176.870 -0.065 0.000 1.085 586 L CA 0.543 55.363 54.840 -0.032 0.000 0.755 586 L CB -0.377 41.665 42.059 -0.029 0.000 0.904 586 L HN 0.083 nan 8.230 nan 0.000 0.435 587 V N -0.517 119.308 119.914 -0.149 0.000 2.307 587 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 587 V C 2.573 178.602 176.094 -0.108 0.000 1.045 587 V CA 1.582 63.722 62.300 -0.267 0.000 1.024 587 V CB -0.418 31.162 31.823 -0.405 0.000 0.651 587 V HN 0.419 nan 8.190 nan 0.000 0.449 588 E N 0.053 120.213 120.200 -0.066 0.000 2.077 588 E HA -0.266 4.083 4.350 -0.000 0.000 0.193 588 E C 2.256 178.852 176.600 -0.007 0.000 0.989 588 E CA 1.536 57.918 56.400 -0.029 0.000 0.800 588 E CB 0.024 29.709 29.700 -0.026 0.000 0.746 588 E HN 0.606 nan 8.360 nan 0.000 0.452 589 E N -0.007 120.192 120.200 -0.002 0.000 2.106 589 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 589 E C 1.838 178.439 176.600 0.003 0.000 0.984 589 E CA 0.754 57.152 56.400 -0.003 0.000 0.806 589 E CB -0.540 29.158 29.700 -0.004 0.000 0.750 589 E HN 0.225 nan 8.360 nan 0.000 0.458 590 F N 1.373 121.249 119.950 -0.122 0.000 2.102 590 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 590 F C 2.248 177.975 175.800 -0.121 0.000 1.105 590 F CA 2.147 60.060 58.000 -0.145 0.000 1.239 590 F CB -0.263 38.601 39.000 -0.227 0.000 0.991 590 F HN 0.133 nan 8.300 nan 0.000 0.474 591 E N -0.374 119.898 120.200 0.119 0.000 2.038 591 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 591 E C 2.200 178.778 176.600 -0.036 0.000 1.000 591 E CA 1.460 57.891 56.400 0.052 0.000 0.803 591 E CB -0.129 29.597 29.700 0.043 0.000 0.750 591 E HN 0.416 nan 8.360 nan 0.000 0.448 592 Q N 0.077 119.851 119.800 -0.044 0.000 2.045 592 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 592 Q C 2.155 178.099 176.000 -0.092 0.000 0.991 592 Q CA 1.813 57.583 55.803 -0.054 0.000 0.851 592 Q CB -0.666 28.046 28.738 -0.044 0.000 0.911 592 Q HN 0.407 nan 8.270 nan 0.000 0.418 593 A N 0.800 123.534 122.820 -0.144 0.000 1.929 593 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 593 A C 1.820 179.248 177.584 -0.260 0.000 1.176 593 A CA 1.209 53.131 52.037 -0.191 0.000 0.628 593 A CB -0.010 18.850 19.000 -0.233 0.000 0.816 593 A HN 0.198 nan 8.150 nan 0.000 0.444 594 E N -1.998 117.988 120.200 -0.357 0.000 2.431 594 E HA 0.212 4.562 4.350 -0.000 0.000 0.200 594 E C 1.187 177.718 176.600 -0.114 0.000 0.995 594 E CA 0.732 56.953 56.400 -0.298 0.000 0.915 594 E CB 0.385 29.751 29.700 -0.556 0.000 0.930 594 E HN 0.755 nan 8.360 nan 0.000 0.496 595 G N 2.486 111.242 108.800 -0.073 0.000 2.157 595 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 595 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 595 G C 0.284 175.201 174.900 0.028 0.000 0.982 595 G CA 0.419 45.509 45.100 -0.017 0.000 0.650 595 G HN 0.315 nan 8.290 nan 0.000 0.527 596 R N -1.638 118.905 120.500 0.071 0.000 2.709 596 R HA 0.640 4.980 4.340 -0.000 0.000 0.270 596 R C -0.456 175.980 176.300 0.226 0.000 1.038 596 R CA -1.195 54.985 56.100 0.134 0.000 0.872 596 R CB 0.882 31.286 30.300 0.174 0.000 1.259 596 R HN 0.141 nan 8.270 nan 0.000 0.473 597 R N 1.057 121.661 120.500 0.173 0.000 2.679 597 R HA 0.257 4.597 4.340 -0.000 0.000 0.269 597 R C -2.028 174.360 176.300 0.148 0.000 1.076 597 R CA -1.456 54.709 56.100 0.110 0.000 1.160 597 R CB 0.443 30.757 30.300 0.023 0.000 1.054 597 R HN 0.431 nan 8.270 nan 0.000 0.507 598 P HA 0.037 nan 4.420 nan 0.000 0.271 598 P C -1.119 176.207 177.300 0.044 0.000 1.226 598 P CA 0.138 62.845 63.100 -0.655 0.000 0.765 598 P CB 0.679 31.457 31.700 -1.535 0.000 0.835 599 R N 3.708 124.479 120.500 0.451 0.000 2.494 599 R HA 0.733 5.072 4.340 -0.000 0.000 0.305 599 R C -1.132 175.336 176.300 0.280 0.000 0.959 599 R CA -0.878 55.414 56.100 0.320 0.000 0.864 599 R CB 0.898 31.323 30.300 0.208 0.000 1.159 599 R HN 0.521 nan 8.270 nan 0.000 0.446 600 I N 4.769 125.472 120.570 0.221 0.000 2.582 600 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 600 I C -1.751 174.406 176.117 0.067 0.000 1.066 600 I CA -1.430 59.953 61.300 0.138 0.000 1.053 600 I CB 1.887 39.955 38.000 0.114 0.000 1.241 600 I HN 0.705 nan 8.210 nan 0.000 0.421 601 L N 8.218 129.465 121.223 0.039 0.000 2.262 601 L HA 0.498 4.838 4.340 -0.000 0.000 0.288 601 L C -1.394 175.466 176.870 -0.016 0.000 1.035 601 L CA -0.090 54.757 54.840 0.012 0.000 0.820 601 L CB 0.994 43.061 42.059 0.013 0.000 1.204 601 L HN 0.508 nan 8.230 nan 0.000 0.424 602 L N 6.322 127.519 121.223 -0.043 0.000 2.295 602 L HA 0.580 4.920 4.340 -0.000 0.000 0.288 602 L C 0.392 177.231 176.870 -0.052 0.000 1.079 602 L CA -0.277 54.518 54.840 -0.075 0.000 0.830 602 L CB 0.645 42.633 42.059 -0.119 0.000 1.200 602 L HN 0.822 nan 8.230 nan 0.000 0.438 603 A N 4.668 127.466 122.820 -0.038 0.000 2.312 603 A HA 0.766 5.086 4.320 -0.000 0.000 0.328 603 A C -0.465 177.106 177.584 -0.021 0.000 1.158 603 A CA -0.715 51.307 52.037 -0.024 0.000 0.821 603 A CB 1.065 20.061 19.000 -0.007 0.000 1.170 603 A HN 0.463 nan 8.150 nan 0.000 0.490 604 K N 2.406 122.792 120.400 -0.023 0.000 2.572 604 K HA 0.458 4.778 4.320 -0.000 0.000 0.244 604 K C -0.958 175.642 176.600 0.000 0.000 0.965 604 K CA 0.149 56.424 56.287 -0.020 0.000 0.943 604 K CB 1.166 33.624 32.500 -0.070 0.000 1.154 604 K HN 0.819 nan 8.250 nan 0.000 0.447 605 M N 0.380 120.000 119.600 0.032 0.000 2.598 605 M HA 0.557 5.037 4.480 -0.000 0.000 0.317 605 M C 0.813 177.161 176.300 0.080 0.000 1.201 605 M CA -0.309 55.022 55.300 0.050 0.000 0.971 605 M CB 1.741 34.367 32.600 0.044 0.000 1.657 605 M HN 0.762 nan 8.290 nan 0.000 0.470 606 G N 1.100 109.951 108.800 0.085 0.000 2.642 606 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.231 606 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.231 606 G C -0.035 174.972 174.900 0.178 0.000 1.338 606 G CA -0.472 44.685 45.100 0.094 0.000 0.883 606 G HN 0.650 nan 8.290 nan 0.000 0.570 607 Q N 0.460 120.367 119.800 0.178 0.000 2.403 607 Q HA 0.106 4.445 4.340 -0.000 0.000 0.203 607 Q C 0.930 177.123 176.000 0.322 0.000 0.932 607 Q CA 0.559 56.525 55.803 0.272 0.000 0.945 607 Q CB -0.098 28.718 28.738 0.130 0.000 1.045 607 Q HN 0.632 nan 8.270 nan 0.000 0.511 608 D N 0.368 120.908 120.400 0.234 0.000 2.520 608 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 608 D C 0.895 177.291 176.300 0.159 0.000 1.160 608 D CA 0.521 54.650 54.000 0.213 0.000 0.877 608 D CB 0.583 41.501 40.800 0.197 0.000 1.150 608 D HN 0.232 nan 8.370 nan 0.000 0.494 609 G N 2.626 111.483 108.800 0.095 0.000 3.233 609 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.234 609 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.234 609 G C 0.206 175.062 174.900 -0.074 0.000 1.137 609 G CA -0.280 44.808 45.100 -0.020 0.000 0.763 609 G HN 0.543 nan 8.290 nan 0.000 0.549 610 H N 1.069 120.153 119.070 0.025 0.000 2.886 610 H HA 0.287 4.843 4.556 -0.000 0.000 0.329 610 H C 0.534 175.862 175.328 -0.000 0.000 1.044 610 H CA 0.912 56.978 56.048 0.030 0.000 1.456 610 H CB 1.505 31.298 29.762 0.051 0.000 1.464 610 H HN 0.344 nan 8.280 nan 0.000 0.573 611 D N 1.417 121.874 120.400 0.095 0.000 2.497 611 D HA -0.011 4.629 4.640 -0.000 0.000 0.256 611 D C 1.617 177.931 176.300 0.023 0.000 1.273 611 D CA -0.342 53.679 54.000 0.034 0.000 0.812 611 D CB -0.169 40.625 40.800 -0.009 0.000 1.190 611 D HN 0.420 nan 8.370 nan 0.000 0.524 612 R N 1.209 121.740 120.500 0.051 0.000 2.083 612 R HA -0.068 4.272 4.340 -0.000 0.000 0.237 612 R C 2.091 178.398 176.300 0.012 0.000 1.137 612 R CA 2.204 58.319 56.100 0.025 0.000 0.951 612 R CB -0.660 29.661 30.300 0.036 0.000 0.851 612 R HN 0.214 nan 8.270 nan 0.000 0.434 613 G N 0.187 109.001 108.800 0.024 0.000 2.404 613 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.215 613 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.215 613 G C 1.310 176.162 174.900 -0.080 0.000 1.174 613 G CA 0.584 45.673 45.100 -0.018 0.000 0.780 613 G HN 0.436 nan 8.290 nan 0.000 0.537 614 Q N -0.026 119.733 119.800 -0.069 0.000 2.096 614 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 614 Q C 2.364 178.296 176.000 -0.114 0.000 0.982 614 Q CA 1.271 57.013 55.803 -0.102 0.000 0.850 614 Q CB -0.060 28.637 28.738 -0.067 0.000 0.901 614 Q HN 0.222 nan 8.270 nan 0.000 0.422 615 K N -0.035 120.319 120.400 -0.077 0.000 2.103 615 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 615 K C 2.030 178.579 176.600 -0.085 0.000 1.052 615 K CA 0.708 56.954 56.287 -0.068 0.000 0.945 615 K CB -0.645 31.832 32.500 -0.038 0.000 0.722 615 K HN 0.151 nan 8.250 nan 0.000 0.443 616 V N 1.757 121.616 119.914 -0.091 0.000 2.379 616 V HA -0.174 3.945 4.120 -0.000 0.000 0.245 616 V C 2.102 178.066 176.094 -0.217 0.000 1.044 616 V CA 1.077 63.313 62.300 -0.107 0.000 1.036 616 V CB -0.195 31.593 31.823 -0.057 0.000 0.664 616 V HN 0.096 nan 8.190 nan 0.000 0.453 617 I N 0.771 121.170 120.570 -0.284 0.000 2.163 617 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 617 I C 2.812 178.679 176.117 -0.416 0.000 1.085 617 I CA 1.944 62.951 61.300 -0.488 0.000 1.347 617 I CB -1.898 35.739 38.000 -0.605 0.000 1.044 617 I HN 0.387 nan 8.210 nan 0.000 0.408 618 A N 0.112 122.775 122.820 -0.262 0.000 1.859 618 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 618 A C 2.552 180.095 177.584 -0.068 0.000 1.198 618 A CA 3.004 54.954 52.037 -0.146 0.000 0.629 618 A CB -1.347 17.595 19.000 -0.097 0.000 0.830 618 A HN 0.414 nan 8.150 nan 0.000 0.446 619 T N -0.931 113.585 114.554 -0.063 0.000 2.777 619 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 619 T C 1.997 176.689 174.700 -0.012 0.000 1.040 619 T CA 1.996 64.088 62.100 -0.014 0.000 1.141 619 T CB -0.473 68.398 68.868 0.005 0.000 0.868 619 T HN 0.575 nan 8.240 nan 0.000 0.444 620 A N -0.198 122.545 122.820 -0.129 0.000 1.898 620 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 620 A C 2.092 179.685 177.584 0.016 0.000 1.181 620 A CA 1.369 53.267 52.037 -0.231 0.000 0.620 620 A CB -0.971 17.523 19.000 -0.843 0.000 0.819 620 A HN 0.607 nan 8.150 nan 0.000 0.442 621 Y N -0.134 120.040 120.300 -0.210 0.000 2.242 621 Y HA -0.011 4.539 4.550 -0.000 0.000 0.291 621 Y C 2.897 178.832 175.900 0.058 0.000 1.137 621 Y CA 0.216 58.218 58.100 -0.163 0.000 1.181 621 Y CB -0.885 37.297 38.460 -0.462 0.000 0.989 621 Y HN 0.338 nan 8.280 nan 0.000 0.527 622 A N -0.029 122.893 122.820 0.169 0.000 1.898 622 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 622 A C 1.908 179.562 177.584 0.117 0.000 1.181 622 A CA 1.918 54.035 52.037 0.134 0.000 0.620 622 A CB -0.660 18.391 19.000 0.085 0.000 0.819 622 A HN 0.308 nan 8.150 nan 0.000 0.442 623 D N -0.102 120.364 120.400 0.110 0.000 2.263 623 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 623 D C 1.549 177.913 176.300 0.108 0.000 0.971 623 D CA 0.800 54.867 54.000 0.112 0.000 0.867 623 D CB -0.177 40.715 40.800 0.155 0.000 0.929 623 D HN 0.460 nan 8.370 nan 0.000 0.492 624 L N -1.123 120.170 121.223 0.116 0.000 2.592 624 L HA 0.231 4.571 4.340 -0.000 0.000 0.227 624 L C 1.517 178.408 176.870 0.035 0.000 1.127 624 L CA 0.405 55.297 54.840 0.086 0.000 0.884 624 L CB 0.257 42.367 42.059 0.086 0.000 1.065 624 L HN 0.145 nan 8.230 nan 0.000 0.457 625 G N -0.739 108.093 108.800 0.052 0.000 2.184 625 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 625 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 625 G C 0.152 175.024 174.900 -0.046 0.000 0.995 625 G CA -0.641 44.446 45.100 -0.021 0.000 0.651 625 G HN 0.092 nan 8.290 nan 0.000 0.511 626 F N 1.768 121.668 119.950 -0.084 0.000 2.444 626 F HA 0.446 4.973 4.527 -0.000 0.000 0.331 626 F C 0.747 176.546 175.800 -0.002 0.000 1.167 626 F CA 0.021 57.978 58.000 -0.071 0.000 1.262 626 F CB 0.567 39.527 39.000 -0.065 0.000 1.196 626 F HN -0.105 nan 8.300 nan 0.000 0.583 627 D N 1.691 122.215 120.400 0.207 0.000 2.359 627 D HA 0.293 4.933 4.640 -0.000 0.000 0.230 627 D C -0.803 175.599 176.300 0.169 0.000 1.118 627 D CA 0.079 54.167 54.000 0.147 0.000 0.844 627 D CB 1.406 42.273 40.800 0.111 0.000 1.059 627 D HN 0.034 nan 8.370 nan 0.000 0.493 628 V N 3.656 123.647 119.914 0.129 0.000 2.398 628 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 628 V C 0.034 176.157 176.094 0.049 0.000 1.026 628 V CA -0.780 61.574 62.300 0.090 0.000 0.868 628 V CB 1.981 33.842 31.823 0.065 0.000 0.982 628 V HN 0.349 nan 8.190 nan 0.000 0.443 629 D N 3.416 123.835 120.400 0.033 0.000 2.256 629 D HA 0.387 5.027 4.640 -0.000 0.000 0.240 629 D C -0.558 175.739 176.300 -0.006 0.000 1.062 629 D CA -0.183 53.826 54.000 0.016 0.000 0.832 629 D CB 2.445 43.255 40.800 0.018 0.000 1.135 629 D HN 0.248 nan 8.370 nan 0.000 0.484 630 V N 2.347 122.253 119.914 -0.012 0.000 2.334 630 V HA 0.393 4.513 4.120 -0.000 0.000 0.267 630 V C 1.149 177.227 176.094 -0.027 0.000 1.040 630 V CA -0.739 61.545 62.300 -0.028 0.000 0.866 630 V CB 1.109 32.915 31.823 -0.029 0.000 1.019 630 V HN 0.563 nan 8.190 nan 0.000 0.468 631 G N 6.766 115.546 108.800 -0.033 0.000 2.527 631 G HA2 0.457 4.417 3.960 -0.000 0.000 0.248 631 G HA3 0.457 4.417 3.960 -0.000 0.000 0.248 631 G C -2.434 172.437 174.900 -0.049 0.000 1.231 631 G CA -0.809 44.272 45.100 -0.032 0.000 0.838 631 G HN 0.552 nan 8.290 nan 0.000 0.570 632 P HA 0.256 nan 4.420 nan 0.000 0.277 632 P C 0.225 177.444 177.300 -0.134 0.000 1.240 632 P CA -0.525 62.532 63.100 -0.071 0.000 0.798 632 P CB 1.325 33.004 31.700 -0.035 0.000 0.979 633 L N 2.040 123.106 121.223 -0.262 0.000 2.474 633 L HA 0.118 4.458 4.340 -0.000 0.000 0.259 633 L C 0.743 177.331 176.870 -0.471 0.000 1.232 633 L CA -0.091 54.425 54.840 -0.539 0.000 0.821 633 L CB -0.678 40.708 42.059 -1.122 0.000 1.108 633 L HN 0.380 nan 8.230 nan 0.000 0.495 634 F N -1.494 118.475 119.950 0.031 0.000 3.034 634 F HA -0.256 4.270 4.527 -0.000 0.000 0.286 634 F C 0.613 176.423 175.800 0.017 0.000 0.804 634 F CA 0.160 58.176 58.000 0.027 0.000 1.161 634 F CB -2.569 36.457 39.000 0.042 0.000 1.317 634 F HN 0.512 nan 8.300 nan 0.000 0.453 635 Q N 0.658 120.516 119.800 0.097 0.000 2.327 635 Q HA 0.422 4.762 4.340 -0.000 0.000 0.254 635 Q C 1.056 177.091 176.000 0.057 0.000 0.952 635 Q CA 0.359 56.202 55.803 0.068 0.000 0.884 635 Q CB 1.162 29.919 28.738 0.031 0.000 1.224 635 Q HN 0.422 nan 8.270 nan 0.000 0.422 636 T N -0.986 113.592 114.554 0.041 0.000 2.788 636 T HA 0.151 4.501 4.350 -0.000 0.000 0.287 636 T C -1.909 172.805 174.700 0.024 0.000 1.007 636 T CA -1.656 60.459 62.100 0.025 0.000 1.005 636 T CB 0.465 69.339 68.868 0.010 0.000 1.012 636 T HN 0.304 nan 8.240 nan 0.000 0.530 637 P HA -0.037 nan 4.420 nan 0.000 0.218 637 P C 1.192 178.502 177.300 0.017 0.000 1.148 637 P CA 0.960 64.072 63.100 0.020 0.000 0.822 637 P CB 0.039 31.750 31.700 0.019 0.000 0.784 638 E N 0.117 120.325 120.200 0.014 0.000 2.047 638 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 638 E C 1.966 178.574 176.600 0.014 0.000 0.987 638 E CA 1.270 57.678 56.400 0.012 0.000 0.799 638 E CB -0.829 28.877 29.700 0.010 0.000 0.752 638 E HN 0.416 nan 8.360 nan 0.000 0.449 639 E N -0.128 120.082 120.200 0.016 0.000 2.077 639 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 639 E C 2.040 178.649 176.600 0.016 0.000 0.989 639 E CA 1.603 58.013 56.400 0.017 0.000 0.800 639 E CB -0.186 29.528 29.700 0.023 0.000 0.746 639 E HN 0.167 nan 8.360 nan 0.000 0.452 640 T N 0.984 115.547 114.554 0.016 0.000 2.708 640 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 640 T C 2.030 176.738 174.700 0.014 0.000 1.037 640 T CA 1.312 63.420 62.100 0.014 0.000 1.146 640 T CB -0.317 68.560 68.868 0.015 0.000 0.865 640 T HN 0.277 nan 8.240 nan 0.000 0.435 641 A N 1.709 124.538 122.820 0.015 0.000 1.858 641 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 641 A C 2.282 179.874 177.584 0.012 0.000 1.190 641 A CA 2.033 54.078 52.037 0.015 0.000 0.617 641 A CB -0.699 18.310 19.000 0.015 0.000 0.827 641 A HN 0.438 nan 8.150 nan 0.000 0.443 642 R N -0.524 119.983 120.500 0.011 0.000 2.094 642 R HA -0.263 4.077 4.340 -0.000 0.000 0.239 642 R C 2.491 178.796 176.300 0.009 0.000 1.137 642 R CA 2.237 58.343 56.100 0.010 0.000 0.943 642 R CB -0.419 29.888 30.300 0.010 0.000 0.850 642 R HN 0.722 nan 8.270 nan 0.000 0.433 643 Q N -0.488 119.318 119.800 0.009 0.000 2.096 643 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 643 Q C 1.927 177.931 176.000 0.007 0.000 0.982 643 Q CA 1.858 57.666 55.803 0.008 0.000 0.850 643 Q CB -0.172 28.570 28.738 0.007 0.000 0.901 643 Q HN 0.508 nan 8.270 nan 0.000 0.422 644 A N -0.136 122.690 122.820 0.009 0.000 1.877 644 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 644 A C 2.216 179.803 177.584 0.004 0.000 1.186 644 A CA 1.642 53.685 52.037 0.010 0.000 0.620 644 A CB -0.851 18.159 19.000 0.016 0.000 0.822 644 A HN 0.309 nan 8.150 nan 0.000 0.443 645 V N 0.261 120.178 119.914 0.005 0.000 2.261 645 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 645 V C 2.426 178.519 176.094 -0.002 0.000 1.047 645 V CA 2.322 64.623 62.300 0.001 0.000 1.015 645 V CB -0.992 30.834 31.823 0.005 0.000 0.642 645 V HN 0.642 nan 8.190 nan 0.000 0.446 646 E N 0.464 120.664 120.200 0.001 0.000 2.097 646 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 646 E C 2.085 178.684 176.600 -0.002 0.000 1.000 646 E CA 1.512 57.912 56.400 0.000 0.000 0.804 646 E CB -0.313 29.389 29.700 0.003 0.000 0.740 646 E HN 0.605 nan 8.360 nan 0.000 0.454 647 A N 1.042 123.860 122.820 -0.002 0.000 2.238 647 A HA -0.039 4.281 4.320 -0.000 0.000 0.208 647 A C 0.369 177.943 177.584 -0.016 0.000 1.177 647 A CA 0.564 52.599 52.037 -0.003 0.000 0.804 647 A CB 0.043 19.046 19.000 0.004 0.000 0.823 647 A HN 0.259 nan 8.150 nan 0.000 0.482 648 D N -0.693 119.691 120.400 -0.027 0.000 2.705 648 D HA -0.129 4.511 4.640 -0.000 0.000 0.240 648 D C 0.172 176.409 176.300 -0.106 0.000 1.137 648 D CA 0.783 54.747 54.000 -0.060 0.000 0.677 648 D CB -1.810 38.954 40.800 -0.059 0.000 1.049 648 D HN 0.775 nan 8.370 nan 0.000 0.427 649 V N -1.951 117.926 119.914 -0.062 0.000 3.214 649 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 649 V C 1.551 177.591 176.094 -0.089 0.000 1.078 649 V CA 0.086 62.357 62.300 -0.048 0.000 1.077 649 V CB 1.290 33.130 31.823 0.029 0.000 1.121 649 V HN 0.272 nan 8.190 nan 0.000 0.468 650 H N 0.815 119.940 119.070 0.092 0.000 2.486 650 H HA 0.508 5.064 4.556 -0.000 0.000 0.287 650 H C 0.488 175.870 175.328 0.090 0.000 1.010 650 H CA 1.348 57.461 56.048 0.108 0.000 1.324 650 H CB 1.012 30.855 29.762 0.136 0.000 1.446 650 H HN 0.510 nan 8.280 nan 0.000 0.537 651 V N 0.605 120.642 119.914 0.206 0.000 2.888 651 V HA 0.390 4.510 4.120 -0.000 0.000 0.309 651 V C -1.394 174.755 176.094 0.092 0.000 1.114 651 V CA -0.938 61.445 62.300 0.138 0.000 0.940 651 V CB 2.295 34.208 31.823 0.150 0.000 1.021 651 V HN -0.125 nan 8.190 nan 0.000 0.426 652 V N 5.552 125.505 119.914 0.065 0.000 2.318 652 V HA 0.551 4.671 4.120 -0.000 0.000 0.271 652 V C 0.969 177.082 176.094 0.031 0.000 1.030 652 V CA 0.230 62.553 62.300 0.039 0.000 0.844 652 V CB 1.117 32.958 31.823 0.031 0.000 1.015 652 V HN 1.072 nan 8.190 nan 0.000 0.460 653 G N 4.669 113.474 108.800 0.009 0.000 2.807 653 G HA2 0.420 4.380 3.960 -0.000 0.000 0.316 653 G HA3 0.420 4.380 3.960 -0.000 0.000 0.316 653 G C -0.139 174.744 174.900 -0.027 0.000 0.900 653 G CA -0.226 44.864 45.100 -0.016 0.000 1.499 653 G HN 0.523 nan 8.290 nan 0.000 0.484 654 V N 1.446 121.359 119.914 -0.002 0.000 2.572 654 V HA 0.294 4.414 4.120 -0.000 0.000 0.291 654 V C 0.771 176.858 176.094 -0.011 0.000 1.039 654 V CA 0.030 62.329 62.300 -0.001 0.000 1.055 654 V CB 1.526 33.359 31.823 0.016 0.000 0.969 654 V HN 0.549 nan 8.190 nan 0.000 0.482 655 S N 3.636 119.326 115.700 -0.016 0.000 2.667 655 S HA 0.473 4.943 4.470 -0.000 0.000 0.304 655 S C -0.377 174.226 174.600 0.005 0.000 1.135 655 S CA -0.395 57.792 58.200 -0.021 0.000 1.125 655 S CB 0.846 64.020 63.200 -0.043 0.000 0.996 655 S HN 0.883 nan 8.310 nan 0.000 0.474 656 S N 4.746 120.451 115.700 0.008 0.000 2.552 656 S HA 0.659 5.129 4.470 -0.000 0.000 0.314 656 S C -0.240 174.364 174.600 0.007 0.000 1.099 656 S CA -0.618 57.606 58.200 0.040 0.000 1.070 656 S CB 0.802 64.052 63.200 0.083 0.000 0.998 656 S HN 0.680 nan 8.310 nan 0.000 0.474 657 L N 4.302 125.517 121.223 -0.014 0.000 3.039 657 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 657 L C 1.849 178.666 176.870 -0.088 0.000 1.169 657 L CA 0.487 55.234 54.840 -0.154 0.000 0.986 657 L CB 0.191 41.939 42.059 -0.518 0.000 1.377 657 L HN 0.758 nan 8.230 nan 0.000 0.575 658 A N -0.253 122.622 122.820 0.091 0.000 2.307 658 A HA 0.505 4.825 4.320 -0.000 0.000 0.218 658 A C 1.718 179.391 177.584 0.148 0.000 1.228 658 A CA 0.564 52.705 52.037 0.172 0.000 0.857 658 A CB -0.617 18.516 19.000 0.221 0.000 0.897 658 A HN 0.444 nan 8.150 nan 0.000 0.495 659 G N -1.760 107.144 108.800 0.172 0.000 2.153 659 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.252 659 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.252 659 G C 0.902 175.808 174.900 0.011 0.000 0.994 659 G CA 0.394 45.593 45.100 0.165 0.000 0.698 659 G HN 1.375 nan 8.290 nan 0.000 0.521 660 G N -0.139 108.690 108.800 0.048 0.000 3.337 660 G HA2 0.373 4.333 3.960 -0.000 0.000 0.246 660 G HA3 0.373 4.333 3.960 -0.000 0.000 0.246 660 G C 1.171 176.043 174.900 -0.047 0.000 1.131 660 G CA 0.905 45.989 45.100 -0.027 0.000 0.773 660 G HN 0.869 nan 8.290 nan 0.000 0.544 661 H N 0.258 119.351 119.070 0.037 0.000 2.422 661 H HA -0.022 4.534 4.556 -0.000 0.000 0.298 661 H C 1.984 177.330 175.328 0.030 0.000 1.098 661 H CA 0.653 56.720 56.048 0.033 0.000 1.315 661 H CB -0.428 29.355 29.762 0.036 0.000 1.382 661 H HN 0.333 nan 8.280 nan 0.000 0.523 662 L N 1.354 122.430 121.223 -0.245 0.000 2.201 662 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 662 L C 2.686 179.532 176.870 -0.041 0.000 1.105 662 L CA 1.730 56.511 54.840 -0.098 0.000 0.775 662 L CB -0.368 41.597 42.059 -0.156 0.000 0.913 662 L HN 0.501 nan 8.230 nan 0.000 0.440 663 T N -3.502 111.026 114.554 -0.044 0.000 3.021 663 T HA 0.072 4.422 4.350 -0.000 0.000 0.245 663 T C 1.846 176.549 174.700 0.005 0.000 1.028 663 T CA 0.029 62.120 62.100 -0.016 0.000 1.139 663 T CB -0.391 68.465 68.868 -0.020 0.000 0.884 663 T HN 0.098 nan 8.240 nan 0.000 0.457 664 L N 1.238 122.469 121.223 0.014 0.000 2.046 664 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 664 L C 2.873 179.767 176.870 0.040 0.000 1.077 664 L CA 0.914 55.773 54.840 0.032 0.000 0.747 664 L CB -0.848 41.239 42.059 0.047 0.000 0.896 664 L HN 0.138 nan 8.230 nan 0.000 0.432 665 V N 0.235 120.181 119.914 0.053 0.000 2.261 665 V HA -0.153 3.966 4.120 -0.000 0.000 0.246 665 V C -0.090 176.026 176.094 0.036 0.000 1.047 665 V CA 2.117 64.447 62.300 0.051 0.000 1.015 665 V CB -1.788 30.077 31.823 0.070 0.000 0.642 665 V HN 0.360 nan 8.190 nan 0.000 0.446 666 P HA -0.158 nan 4.420 nan 0.000 0.216 666 P C 1.626 178.938 177.300 0.020 0.000 1.153 666 P CA 2.270 65.384 63.100 0.024 0.000 0.848 666 P CB -0.132 31.580 31.700 0.021 0.000 0.787 667 A N 0.303 123.134 122.820 0.018 0.000 1.933 667 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 667 A C 2.371 179.965 177.584 0.017 0.000 1.175 667 A CA 1.184 53.230 52.037 0.015 0.000 0.628 667 A CB -1.622 17.385 19.000 0.012 0.000 0.814 667 A HN 0.154 nan 8.150 nan 0.000 0.444 668 L N -1.089 120.147 121.223 0.021 0.000 2.056 668 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 668 L C 2.703 179.586 176.870 0.021 0.000 1.078 668 L CA 2.133 56.986 54.840 0.021 0.000 0.749 668 L CB -0.410 41.664 42.059 0.025 0.000 0.901 668 L HN 0.433 nan 8.230 nan 0.000 0.433 669 R N 0.811 121.324 120.500 0.022 0.000 2.080 669 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 669 R C 2.218 178.530 176.300 0.019 0.000 1.137 669 R CA 1.937 58.050 56.100 0.021 0.000 0.943 669 R CB -0.286 30.026 30.300 0.021 0.000 0.846 669 R HN 0.306 nan 8.270 nan 0.000 0.431 670 K N -0.392 120.018 120.400 0.017 0.000 2.097 670 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 670 K C 2.071 178.679 176.600 0.014 0.000 1.050 670 K CA 1.509 57.805 56.287 0.014 0.000 0.938 670 K CB -0.111 32.397 32.500 0.012 0.000 0.718 670 K HN 0.156 nan 8.250 nan 0.000 0.442 671 E N 1.445 121.653 120.200 0.014 0.000 2.072 671 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 671 E C 1.807 178.415 176.600 0.014 0.000 0.985 671 E CA 0.914 57.322 56.400 0.013 0.000 0.801 671 E CB -0.137 29.571 29.700 0.013 0.000 0.750 671 E HN 0.158 nan 8.360 nan 0.000 0.452 672 L N 0.653 121.885 121.223 0.016 0.000 2.012 672 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 672 L C 1.995 178.875 176.870 0.017 0.000 1.073 672 L CA 1.617 56.467 54.840 0.018 0.000 0.748 672 L CB -0.495 41.577 42.059 0.022 0.000 0.891 672 L HN 0.178 nan 8.230 nan 0.000 0.431 673 D N -0.140 120.270 120.400 0.017 0.000 2.117 673 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 673 D C 2.102 178.409 176.300 0.013 0.000 0.987 673 D CA 1.128 55.138 54.000 0.015 0.000 0.829 673 D CB -0.143 40.666 40.800 0.015 0.000 0.961 673 D HN 0.185 nan 8.370 nan 0.000 0.460 674 K N 0.337 120.744 120.400 0.012 0.000 2.283 674 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 674 K C 1.483 178.088 176.600 0.010 0.000 1.048 674 K CA 0.451 56.744 56.287 0.010 0.000 0.948 674 K CB 0.025 32.531 32.500 0.009 0.000 0.742 674 K HN 0.169 nan 8.250 nan 0.000 0.458 675 L N 0.077 121.306 121.223 0.010 0.000 2.611 675 L HA 0.153 4.493 4.340 -0.000 0.000 0.229 675 L C 0.759 177.635 176.870 0.009 0.000 1.137 675 L CA 0.334 55.179 54.840 0.009 0.000 0.901 675 L CB 0.298 42.363 42.059 0.009 0.000 1.098 675 L HN 0.423 nan 8.230 nan 0.000 0.456 676 G N 0.956 109.762 108.800 0.010 0.000 2.160 676 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 676 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 676 G C 0.102 175.009 174.900 0.012 0.000 1.022 676 G CA -0.253 44.853 45.100 0.010 0.000 0.741 676 G HN 0.229 nan 8.290 nan 0.000 0.508 677 R N -0.414 120.095 120.500 0.014 0.000 2.629 677 R HA 0.305 4.644 4.340 -0.000 0.000 0.277 677 R C -1.795 174.519 176.300 0.023 0.000 1.637 677 R CA -1.673 54.437 56.100 0.017 0.000 1.663 677 R CB 1.236 31.544 30.300 0.014 0.000 1.228 677 R HN 0.267 nan 8.270 nan 0.000 0.632 678 P HA -0.074 nan 4.420 nan 0.000 0.231 678 P C 0.495 177.816 177.300 0.035 0.000 1.168 678 P CA 0.782 63.898 63.100 0.026 0.000 0.779 678 P CB 0.396 32.110 31.700 0.023 0.000 0.844 679 D N -0.029 120.395 120.400 0.040 0.000 2.277 679 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 679 D C 0.868 177.211 176.300 0.071 0.000 0.962 679 D CA 0.114 54.147 54.000 0.055 0.000 0.865 679 D CB -0.621 40.213 40.800 0.055 0.000 0.939 679 D HN 0.215 nan 8.370 nan 0.000 0.510 680 I N 1.775 122.381 120.570 0.059 0.000 2.533 680 I HA 0.031 4.201 4.170 -0.000 0.000 0.284 680 I C 0.729 176.888 176.117 0.071 0.000 1.109 680 I CA -0.326 61.016 61.300 0.070 0.000 1.412 680 I CB 0.852 38.880 38.000 0.047 0.000 1.396 680 I HN -0.142 nan 8.210 nan 0.000 0.543 681 L N 7.231 128.508 121.223 0.090 0.000 2.439 681 L HA 0.501 4.841 4.340 -0.000 0.000 0.259 681 L C -0.209 176.700 176.870 0.065 0.000 1.129 681 L CA -0.613 54.272 54.840 0.075 0.000 0.803 681 L CB 0.959 43.072 42.059 0.089 0.000 1.161 681 L HN 0.463 nan 8.230 nan 0.000 0.462 682 I N 0.475 121.074 120.570 0.048 0.000 2.466 682 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 682 I C -0.198 175.935 176.117 0.028 0.000 1.026 682 I CA -0.291 61.031 61.300 0.037 0.000 1.078 682 I CB 2.226 40.241 38.000 0.026 0.000 1.249 682 I HN 0.622 nan 8.210 nan 0.000 0.429 683 T N 2.838 117.415 114.554 0.038 0.000 2.912 683 T HA 0.805 5.155 4.350 -0.000 0.000 0.288 683 T C -0.605 174.103 174.700 0.014 0.000 1.030 683 T CA -0.799 61.322 62.100 0.036 0.000 1.020 683 T CB 2.090 71.059 68.868 0.168 0.000 1.056 683 T HN 0.194 nan 8.240 nan 0.000 0.480 684 V N 1.184 121.073 119.914 -0.041 0.000 2.588 684 V HA 0.847 4.967 4.120 -0.000 0.000 0.304 684 V C 0.532 176.606 176.094 -0.033 0.000 1.042 684 V CA -0.547 61.729 62.300 -0.040 0.000 0.877 684 V CB 1.559 33.343 31.823 -0.065 0.000 0.996 684 V HN 1.339 nan 8.190 nan 0.000 0.425 685 G N 1.394 110.200 108.800 0.010 0.000 2.605 685 G HA2 0.898 4.858 3.960 -0.000 0.000 0.296 685 G HA3 0.898 4.858 3.960 -0.000 0.000 0.296 685 G C -0.137 174.751 174.900 -0.020 0.000 1.304 685 G CA -0.049 45.072 45.100 0.035 0.000 0.941 685 G HN 1.496 nan 8.290 nan 0.000 0.475 686 G N -1.862 106.927 108.800 -0.018 0.000 2.337 686 G HA2 0.201 4.161 3.960 -0.000 0.000 0.197 686 G HA3 0.201 4.161 3.960 -0.000 0.000 0.197 686 G C -1.041 173.836 174.900 -0.040 0.000 1.238 686 G CA -0.088 44.989 45.100 -0.037 0.000 1.119 686 G HN 1.427 nan 8.290 nan 0.000 0.514 687 V N 1.070 120.949 119.914 -0.057 0.000 2.339 687 V HA 0.582 4.702 4.120 -0.000 0.000 0.261 687 V C 0.069 176.126 176.094 -0.063 0.000 1.058 687 V CA 0.186 62.464 62.300 -0.037 0.000 0.897 687 V CB 0.214 32.015 31.823 -0.036 0.000 1.052 687 V HN 0.542 nan 8.190 nan 0.000 0.480 688 I N 7.727 128.263 120.570 -0.057 0.000 2.497 688 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 688 I C -2.413 173.743 176.117 0.065 0.000 1.060 688 I CA -1.839 59.391 61.300 -0.117 0.000 1.071 688 I CB 2.545 40.458 38.000 -0.145 0.000 1.216 688 I HN 0.403 nan 8.210 nan 0.000 0.442 689 P HA 0.003 nan 4.420 nan 0.000 0.269 689 P C 0.903 177.999 177.300 -0.340 0.000 1.209 689 P CA 0.025 63.072 63.100 -0.088 0.000 0.776 689 P CB 0.908 32.585 31.700 -0.039 0.000 0.876 690 E N 1.738 121.568 120.200 -0.616 0.000 2.118 690 E HA -0.290 4.059 4.350 -0.000 0.000 0.195 690 E C 1.612 177.766 176.600 -0.743 0.000 0.992 690 E CA 1.683 57.364 56.400 -1.197 0.000 0.804 690 E CB -0.875 28.428 29.700 -0.661 0.000 0.741 690 E HN 0.490 nan 8.360 nan 0.000 0.458 691 Q N 0.594 120.196 119.800 -0.330 0.000 2.197 691 Q HA -0.118 4.222 4.340 -0.000 0.000 0.207 691 Q C 1.829 177.794 176.000 -0.058 0.000 0.984 691 Q CA 1.919 57.634 55.803 -0.148 0.000 0.869 691 Q CB -0.241 28.446 28.738 -0.085 0.000 0.906 691 Q HN 0.497 nan 8.270 nan 0.000 0.426 692 D N -1.161 119.241 120.400 0.004 0.000 2.349 692 D HA 0.003 4.643 4.640 -0.000 0.000 0.215 692 D C 0.880 177.331 176.300 0.252 0.000 1.016 692 D CA 0.137 54.226 54.000 0.148 0.000 0.870 692 D CB 0.039 41.014 40.800 0.291 0.000 0.917 692 D HN 0.136 nan 8.370 nan 0.000 0.524 693 F N 1.745 121.699 119.950 0.007 0.000 2.134 693 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 693 F C 1.979 177.776 175.800 -0.006 0.000 1.097 693 F CA 0.674 58.666 58.000 -0.014 0.000 1.264 693 F CB -0.860 38.124 39.000 -0.028 0.000 1.001 693 F HN -0.043 nan 8.300 nan 0.000 0.479 694 D N -0.087 120.424 120.400 0.186 0.000 2.117 694 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 694 D C 2.201 178.547 176.300 0.078 0.000 0.987 694 D CA 1.251 55.312 54.000 0.102 0.000 0.829 694 D CB -0.461 40.381 40.800 0.069 0.000 0.961 694 D HN 0.399 nan 8.370 nan 0.000 0.460 695 E N 0.366 120.615 120.200 0.083 0.000 2.072 695 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 695 E C 2.304 178.948 176.600 0.074 0.000 0.985 695 E CA 0.445 56.886 56.400 0.069 0.000 0.801 695 E CB -0.072 29.669 29.700 0.068 0.000 0.750 695 E HN 0.186 nan 8.360 nan 0.000 0.452 696 L N 0.312 121.595 121.223 0.100 0.000 2.012 696 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 696 L C 2.854 179.743 176.870 0.031 0.000 1.073 696 L CA 1.397 56.284 54.840 0.078 0.000 0.748 696 L CB -0.369 41.737 42.059 0.079 0.000 0.891 696 L HN 0.134 nan 8.230 nan 0.000 0.431 697 R N 0.023 120.536 120.500 0.021 0.000 2.081 697 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 697 R C 2.310 178.618 176.300 0.013 0.000 1.131 697 R CA 1.231 57.331 56.100 -0.000 0.000 0.960 697 R CB -0.175 30.123 30.300 -0.003 0.000 0.856 697 R HN 0.334 nan 8.270 nan 0.000 0.436 698 K N 0.311 120.726 120.400 0.025 0.000 2.147 698 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 698 K C 1.229 177.842 176.600 0.022 0.000 1.049 698 K CA 1.175 57.475 56.287 0.023 0.000 0.936 698 K CB 0.047 32.562 32.500 0.025 0.000 0.722 698 K HN 0.148 nan 8.250 nan 0.000 0.446 699 D N -0.934 119.481 120.400 0.026 0.000 2.347 699 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 699 D C 1.198 177.511 176.300 0.021 0.000 0.976 699 D CA 1.083 55.099 54.000 0.026 0.000 0.884 699 D CB 0.787 41.608 40.800 0.036 0.000 0.915 699 D HN 0.473 nan 8.370 nan 0.000 0.526 700 G N -0.187 108.622 108.800 0.015 0.000 2.367 700 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.181 700 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.181 700 G C 0.423 175.325 174.900 0.003 0.000 1.000 700 G CA -0.015 45.092 45.100 0.013 0.000 0.693 700 G HN 0.483 nan 8.290 nan 0.000 0.480 701 A N 1.106 123.920 122.820 -0.010 0.000 2.444 701 A HA 0.622 4.942 4.320 -0.000 0.000 0.273 701 A C 1.669 179.217 177.584 -0.060 0.000 1.136 701 A CA 0.657 52.670 52.037 -0.041 0.000 0.799 701 A CB 0.613 19.571 19.000 -0.070 0.000 1.081 701 A HN 1.554 nan 8.150 nan 0.000 0.509 702 V N -0.729 119.153 119.914 -0.053 0.000 3.506 702 V HA 0.279 4.399 4.120 -0.000 0.000 0.263 702 V C 0.263 176.290 176.094 -0.112 0.000 1.203 702 V CA 0.657 62.925 62.300 -0.054 0.000 1.133 702 V CB -0.468 31.350 31.823 -0.009 0.000 0.802 702 V HN 0.669 nan 8.190 nan 0.000 0.459 703 E N 0.215 120.296 120.200 -0.199 0.000 2.321 703 E HA 0.597 4.947 4.350 -0.000 0.000 0.278 703 E C -1.543 174.690 176.600 -0.613 0.000 0.902 703 E CA -0.359 55.793 56.400 -0.414 0.000 0.758 703 E CB 2.981 32.441 29.700 -0.400 0.000 1.213 703 E HN 0.332 nan 8.360 nan 0.000 0.426 704 I N 2.830 122.933 120.570 -0.779 0.000 2.410 704 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 704 I C -1.232 174.427 176.117 -0.763 0.000 1.009 704 I CA -0.733 60.139 61.300 -0.713 0.000 1.111 704 I CB 0.967 38.470 38.000 -0.828 0.000 1.262 704 I HN 0.340 nan 8.210 nan 0.000 0.443 705 Y N 4.449 124.631 120.300 -0.196 0.000 2.388 705 Y HA 0.391 4.941 4.550 -0.000 0.000 0.328 705 Y C 0.816 176.658 175.900 -0.096 0.000 0.963 705 Y CA -0.989 57.035 58.100 -0.127 0.000 1.240 705 Y CB 1.293 39.695 38.460 -0.096 0.000 1.118 705 Y HN 0.502 nan 8.280 nan 0.000 0.484 706 T N 0.289 114.881 114.554 0.063 0.000 2.849 706 T HA 0.517 4.867 4.350 -0.000 0.000 0.276 706 T C -2.675 172.063 174.700 0.064 0.000 0.971 706 T CA -2.592 59.550 62.100 0.070 0.000 0.949 706 T CB 1.009 69.959 68.868 0.136 0.000 1.093 706 T HN 0.158 nan 8.240 nan 0.000 0.545 707 P HA 0.250 nan 4.420 nan 0.000 0.265 707 P C 1.088 178.400 177.300 0.019 0.000 1.187 707 P CA 1.090 64.201 63.100 0.019 0.000 0.766 707 P CB -0.015 31.683 31.700 -0.004 0.000 0.820 708 G N 1.288 110.093 108.800 0.008 0.000 2.213 708 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.236 708 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.236 708 G C 0.362 175.281 174.900 0.032 0.000 0.991 708 G CA 0.088 45.193 45.100 0.009 0.000 0.629 708 G HN 0.660 nan 8.290 nan 0.000 0.517 709 T N 1.516 116.097 114.554 0.044 0.000 2.905 709 T HA 0.345 4.694 4.350 -0.000 0.000 0.299 709 T C 0.791 175.508 174.700 0.028 0.000 1.024 709 T CA 0.528 62.658 62.100 0.051 0.000 1.151 709 T CB 1.512 70.410 68.868 0.051 0.000 0.987 709 T HN 0.556 nan 8.240 nan 0.000 0.535 710 V N 6.319 126.255 119.914 0.037 0.000 2.461 710 V HA 0.154 4.274 4.120 -0.000 0.000 0.275 710 V C 1.731 177.838 176.094 0.023 0.000 1.047 710 V CA -0.278 62.053 62.300 0.051 0.000 0.955 710 V CB 0.783 32.642 31.823 0.060 0.000 0.988 710 V HN 0.837 nan 8.190 nan 0.000 0.471 711 I N 6.486 127.071 120.570 0.025 0.000 2.091 711 I HA -0.130 4.040 4.170 -0.000 0.000 0.239 711 I C -0.163 175.979 176.117 0.041 0.000 1.061 711 I CA 1.667 62.949 61.300 -0.029 0.000 1.317 711 I CB -1.187 36.692 38.000 -0.200 0.000 1.031 711 I HN 0.564 nan 8.210 nan 0.000 0.401 712 P HA -0.166 nan 4.420 nan 0.000 0.217 712 P C 1.328 178.651 177.300 0.037 0.000 1.150 712 P CA 1.603 64.742 63.100 0.065 0.000 0.832 712 P CB -0.084 31.679 31.700 0.105 0.000 0.787 713 E N 0.323 120.549 120.200 0.043 0.000 2.077 713 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 713 E C 2.286 178.910 176.600 0.041 0.000 0.989 713 E CA 1.820 58.247 56.400 0.045 0.000 0.800 713 E CB -0.278 29.455 29.700 0.054 0.000 0.746 713 E HN 0.358 nan 8.360 nan 0.000 0.452 714 S N 0.719 116.409 115.700 -0.016 0.000 2.402 714 S HA -0.042 4.428 4.470 -0.000 0.000 0.229 714 S C 2.173 176.742 174.600 -0.052 0.000 1.021 714 S CA 0.724 58.850 58.200 -0.124 0.000 0.974 714 S CB -0.056 62.759 63.200 -0.642 0.000 0.800 714 S HN 0.277 nan 8.310 nan 0.000 0.484 715 A N 2.441 125.225 122.820 -0.061 0.000 1.855 715 A HA 0.090 4.410 4.320 -0.000 0.000 0.215 715 A C 2.196 179.784 177.584 0.007 0.000 1.191 715 A CA 1.408 53.352 52.037 -0.155 0.000 0.613 715 A CB -0.920 17.920 19.000 -0.267 0.000 0.829 715 A HN 0.523 nan 8.150 nan 0.000 0.442 716 I N 0.695 121.273 120.570 0.013 0.000 2.091 716 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 716 I C 2.962 179.112 176.117 0.055 0.000 1.061 716 I CA 2.010 63.327 61.300 0.028 0.000 1.317 716 I CB -0.391 37.627 38.000 0.029 0.000 1.031 716 I HN 0.536 nan 8.210 nan 0.000 0.401 717 S N 0.939 116.691 115.700 0.085 0.000 2.402 717 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 717 S C 1.968 176.649 174.600 0.135 0.000 1.021 717 S CA 0.969 59.236 58.200 0.112 0.000 0.974 717 S CB -0.634 62.651 63.200 0.142 0.000 0.800 717 S HN 0.400 nan 8.310 nan 0.000 0.484 718 L N 1.636 122.957 121.223 0.165 0.000 2.044 718 L HA 0.129 4.469 4.340 -0.000 0.000 0.205 718 L C 2.450 179.386 176.870 0.110 0.000 1.075 718 L CA 1.390 56.335 54.840 0.175 0.000 0.747 718 L CB -0.829 41.347 42.059 0.194 0.000 0.903 718 L HN 0.197 nan 8.230 nan 0.000 0.435 719 V N 0.251 120.211 119.914 0.075 0.000 2.255 719 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 719 V C 2.652 178.776 176.094 0.050 0.000 1.051 719 V CA 2.386 64.678 62.300 -0.012 0.000 1.018 719 V CB -0.629 31.145 31.823 -0.081 0.000 0.641 719 V HN 0.499 nan 8.190 nan 0.000 0.445 720 K N -0.176 120.259 120.400 0.058 0.000 2.044 720 K HA -0.281 4.039 4.320 -0.000 0.000 0.210 720 K C 2.245 178.885 176.600 0.068 0.000 1.049 720 K CA 1.881 58.205 56.287 0.061 0.000 0.927 720 K CB -0.293 32.237 32.500 0.050 0.000 0.713 720 K HN 0.197 nan 8.250 nan 0.000 0.443 721 K N 1.267 121.709 120.400 0.071 0.000 2.032 721 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 721 K C 1.943 178.591 176.600 0.081 0.000 1.048 721 K CA 1.026 57.354 56.287 0.067 0.000 0.927 721 K CB -0.496 32.045 32.500 0.068 0.000 0.712 721 K HN 0.017 nan 8.250 nan 0.000 0.441 722 L N 1.242 122.524 121.223 0.098 0.000 1.989 722 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 722 L C 2.010 178.978 176.870 0.164 0.000 1.071 722 L CA 1.783 56.700 54.840 0.128 0.000 0.749 722 L CB -0.631 41.482 42.059 0.090 0.000 0.890 722 L HN 0.155 nan 8.230 nan 0.000 0.431 723 R N -0.371 120.236 120.500 0.178 0.000 2.080 723 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 723 R C 2.189 178.525 176.300 0.061 0.000 1.137 723 R CA 1.498 57.671 56.100 0.121 0.000 0.943 723 R CB -1.003 29.361 30.300 0.107 0.000 0.846 723 R HN 0.532 nan 8.270 nan 0.000 0.431 724 A N 0.765 123.618 122.820 0.056 0.000 1.948 724 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 724 A C 2.285 179.893 177.584 0.041 0.000 1.177 724 A CA 2.160 54.221 52.037 0.039 0.000 0.636 724 A CB -0.583 18.439 19.000 0.037 0.000 0.815 724 A HN 0.390 nan 8.150 nan 0.000 0.449 725 S N -0.943 114.790 115.700 0.055 0.000 2.414 725 S HA 0.027 4.497 4.470 -0.000 0.000 0.227 725 S C 1.867 176.501 174.600 0.057 0.000 1.022 725 S CA 1.048 59.281 58.200 0.056 0.000 0.958 725 S CB -0.396 62.846 63.200 0.070 0.000 0.797 725 S HN 0.481 nan 8.310 nan 0.000 0.493 726 L N 0.697 121.958 121.223 0.064 0.000 2.240 726 L HA 0.090 4.430 4.340 -0.000 0.000 0.211 726 L C 0.097 176.975 176.870 0.013 0.000 1.106 726 L CA 0.676 55.546 54.840 0.050 0.000 0.793 726 L CB -0.226 41.860 42.059 0.045 0.000 0.927 726 L HN 0.208 nan 8.230 nan 0.000 0.446 727 D N 0.964 121.366 120.400 0.003 0.000 2.781 727 D HA 0.577 5.217 4.640 -0.000 0.000 0.254 727 D C -0.019 176.282 176.300 0.003 0.000 1.213 727 D CA 0.331 54.326 54.000 -0.009 0.000 0.994 727 D CB 0.699 41.487 40.800 -0.020 0.000 1.019 727 D HN 0.238 nan 8.370 nan 0.000 0.514 728 A N 0.000 122.824 122.820 0.007 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 728 A CA 0.000 52.043 52.037 0.011 0.000 0.836 728 A CB 0.000 19.008 19.000 0.013 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486