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 1w79_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.382 176.300 0.136 0.000 0.893 1 R CA 0.000 56.153 56.100 0.088 0.000 0.921 1 R CB 0.000 30.337 30.300 0.062 0.000 0.687 2 L N 2.100 123.386 121.223 0.105 0.000 2.640 2 L HA 0.128 4.468 4.340 -0.000 0.000 0.230 2 L C 1.983 178.897 176.870 0.072 0.000 1.123 2 L CA 0.651 55.548 54.840 0.095 0.000 0.900 2 L CB 0.425 42.520 42.059 0.062 0.000 1.146 2 L HN 0.887 nan 8.230 nan 0.000 0.484 3 T N -2.902 111.690 114.554 0.063 0.000 2.746 3 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 3 T C 1.554 176.288 174.700 0.057 0.000 1.039 3 T CA 1.233 63.363 62.100 0.051 0.000 1.142 3 T CB -0.088 68.803 68.868 0.039 0.000 0.866 3 T HN 0.318 nan 8.240 nan 0.000 0.444 4 E N 0.363 120.603 120.200 0.066 0.000 2.072 4 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 4 E C 2.102 178.738 176.600 0.061 0.000 0.985 4 E CA 0.941 57.379 56.400 0.062 0.000 0.801 4 E CB -0.205 29.536 29.700 0.070 0.000 0.750 4 E HN 0.356 nan 8.360 nan 0.000 0.452 5 L N 1.415 122.681 121.223 0.072 0.000 1.976 5 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 5 L C 2.202 179.086 176.870 0.022 0.000 1.071 5 L CA 1.745 56.593 54.840 0.013 0.000 0.746 5 L CB -0.268 41.730 42.059 -0.101 0.000 0.890 5 L HN -0.076 nan 8.230 nan 0.000 0.432 6 R N -0.122 120.437 120.500 0.098 0.000 2.103 6 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 6 R C 2.084 178.503 176.300 0.199 0.000 1.142 6 R CA 1.892 58.139 56.100 0.244 0.000 0.960 6 R CB -0.543 29.851 30.300 0.155 0.000 0.858 6 R HN 0.731 nan 8.270 nan 0.000 0.439 7 E N 0.229 120.488 120.200 0.098 0.000 2.285 7 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 7 E C 0.903 177.526 176.600 0.039 0.000 0.997 7 E CA 0.875 57.317 56.400 0.071 0.000 0.845 7 E CB 0.020 29.747 29.700 0.046 0.000 0.782 7 E HN 0.200 nan 8.360 nan 0.000 0.491 8 D N 1.414 121.823 120.400 0.015 0.000 2.117 8 D HA -0.045 4.594 4.640 -0.000 0.000 0.198 8 D C 2.064 178.326 176.300 -0.063 0.000 0.982 8 D CA 0.852 54.840 54.000 -0.020 0.000 0.828 8 D CB -0.037 40.748 40.800 -0.025 0.000 0.967 8 D HN 0.273 nan 8.370 nan 0.000 0.464 9 I N 0.996 121.496 120.570 -0.116 0.000 2.252 9 I HA -0.219 3.950 4.170 -0.000 0.000 0.245 9 I C 1.805 177.844 176.117 -0.129 0.000 1.102 9 I CA 0.859 62.002 61.300 -0.261 0.000 1.385 9 I CB -0.116 37.461 38.000 -0.704 0.000 1.064 9 I HN -0.131 nan 8.210 nan 0.000 0.414 10 D N 1.331 121.754 120.400 0.038 0.000 2.116 10 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 10 D C 2.246 178.565 176.300 0.032 0.000 0.998 10 D CA 1.772 55.834 54.000 0.103 0.000 0.836 10 D CB -0.185 40.688 40.800 0.121 0.000 0.951 10 D HN 0.345 nan 8.370 nan 0.000 0.449 11 A N 0.345 123.170 122.820 0.009 0.000 1.930 11 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 11 A C 2.391 179.963 177.584 -0.021 0.000 1.175 11 A CA 0.818 52.853 52.037 -0.003 0.000 0.627 11 A CB -0.636 18.361 19.000 -0.005 0.000 0.815 11 A HN 0.220 nan 8.150 nan 0.000 0.443 12 I N -0.401 120.142 120.570 -0.045 0.000 2.226 12 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 12 I C 1.985 178.071 176.117 -0.051 0.000 1.100 12 I CA 1.010 62.273 61.300 -0.060 0.000 1.374 12 I CB -0.267 37.675 38.000 -0.097 0.000 1.057 12 I HN 0.246 nan 8.210 nan 0.000 0.413 13 L N 0.502 121.698 121.223 -0.045 0.000 2.549 13 L HA -0.108 4.232 4.340 -0.000 0.000 0.229 13 L C 1.637 178.503 176.870 -0.006 0.000 1.158 13 L CA 0.543 55.368 54.840 -0.024 0.000 0.842 13 L CB -0.367 41.694 42.059 0.004 0.000 0.952 13 L HN 0.228 nan 8.230 nan 0.000 0.452 14 E N -0.248 119.949 120.200 -0.005 0.000 2.445 14 E HA -0.005 4.344 4.350 -0.000 0.000 0.189 14 E C 0.188 176.785 176.600 -0.005 0.000 1.069 14 E CA 0.022 56.422 56.400 0.001 0.000 0.871 14 E CB -0.252 29.450 29.700 0.004 0.000 0.991 14 E HN 0.376 nan 8.360 nan 0.000 0.481 15 D N 1.998 122.389 120.400 -0.014 0.000 2.472 15 D HA -0.039 4.601 4.640 -0.000 0.000 0.237 15 D C -1.328 174.966 176.300 -0.009 0.000 1.141 15 D CA -1.301 52.689 54.000 -0.017 0.000 0.875 15 D CB 1.577 42.359 40.800 -0.031 0.000 1.192 15 D HN -0.059 nan 8.370 nan 0.000 0.450 16 P HA -0.093 nan 4.420 nan 0.000 0.225 16 P C 0.774 178.077 177.300 0.005 0.000 1.148 16 P CA 0.597 63.698 63.100 0.001 0.000 0.779 16 P CB 0.154 31.855 31.700 0.001 0.000 0.780 17 A N -0.619 122.198 122.820 -0.005 0.000 2.119 17 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 17 A C 1.857 179.445 177.584 0.006 0.000 1.153 17 A CA 0.848 52.883 52.037 -0.003 0.000 0.692 17 A CB -0.952 18.030 19.000 -0.030 0.000 0.799 17 A HN 0.119 nan 8.150 nan 0.000 0.458 18 L N 0.191 121.414 121.223 -0.001 0.000 2.667 18 L HA 0.212 4.552 4.340 -0.000 0.000 0.232 18 L C 0.059 176.950 176.870 0.036 0.000 1.138 18 L CA 0.016 54.864 54.840 0.013 0.000 0.921 18 L CB -0.155 41.898 42.059 -0.009 0.000 1.180 18 L HN 0.162 nan 8.230 nan 0.000 0.487 19 E N 0.555 120.775 120.200 0.033 0.000 2.493 19 E HA 0.239 4.589 4.350 -0.000 0.000 0.255 19 E C 1.296 177.921 176.600 0.040 0.000 0.999 19 E CA 0.823 57.241 56.400 0.031 0.000 0.934 19 E CB 0.180 29.894 29.700 0.024 0.000 0.940 19 E HN 0.349 nan 8.360 nan 0.000 0.473 20 G N 2.139 110.959 108.800 0.034 0.000 2.155 20 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 20 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 20 G C 0.424 175.351 174.900 0.044 0.000 0.983 20 G CA 0.429 45.549 45.100 0.034 0.000 0.676 20 G HN 0.777 nan 8.290 nan 0.000 0.528 21 A N -1.202 121.654 122.820 0.060 0.000 2.282 21 A HA 0.917 5.237 4.320 -0.000 0.000 0.324 21 A C -0.061 177.563 177.584 0.066 0.000 1.119 21 A CA -0.117 51.969 52.037 0.082 0.000 0.880 21 A CB 1.851 20.937 19.000 0.145 0.000 1.294 21 A HN 1.133 nan 8.150 nan 0.000 0.493 22 V N 0.814 120.772 119.914 0.074 0.000 2.459 22 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 22 V C -0.230 175.903 176.094 0.065 0.000 1.029 22 V CA -0.317 62.018 62.300 0.059 0.000 0.874 22 V CB 1.511 33.363 31.823 0.049 0.000 0.985 22 V HN 0.782 nan 8.190 nan 0.000 0.438 23 S N 2.725 118.458 115.700 0.056 0.000 2.707 23 S HA 0.611 5.081 4.470 -0.000 0.000 0.303 23 S C 0.226 174.865 174.600 0.065 0.000 1.132 23 S CA -0.567 57.666 58.200 0.054 0.000 1.046 23 S CB 1.712 64.935 63.200 0.039 0.000 1.004 23 S HN 1.060 nan 8.310 nan 0.000 0.483 24 G N 1.760 110.600 108.800 0.066 0.000 2.327 24 G HA2 0.540 4.500 3.960 -0.000 0.000 0.302 24 G HA3 0.540 4.500 3.960 -0.000 0.000 0.302 24 G C -0.789 174.168 174.900 0.095 0.000 1.113 24 G CA -0.366 44.779 45.100 0.076 0.000 0.921 24 G HN 0.590 nan 8.290 nan 0.000 0.425 25 V N 3.282 123.276 119.914 0.134 0.000 2.482 25 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 25 V C -0.472 175.761 176.094 0.232 0.000 1.026 25 V CA -0.668 61.733 62.300 0.169 0.000 0.856 25 V CB 1.698 33.623 31.823 0.170 0.000 1.001 25 V HN 0.546 nan 8.190 nan 0.000 0.424 26 V N 5.337 125.364 119.914 0.187 0.000 2.638 26 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 26 V C -0.602 175.601 176.094 0.182 0.000 1.052 26 V CA -0.612 61.794 62.300 0.177 0.000 0.885 26 V CB 2.310 34.201 31.823 0.113 0.000 0.999 26 V HN 0.585 nan 8.190 nan 0.000 0.424 27 V N 5.214 125.237 119.914 0.182 0.000 2.483 27 V HA 0.666 4.786 4.120 -0.000 0.000 0.297 27 V C -0.539 175.626 176.094 0.118 0.000 1.027 27 V CA -0.528 61.865 62.300 0.156 0.000 0.855 27 V CB 2.005 33.886 31.823 0.097 0.000 0.995 27 V HN 0.608 nan 8.190 nan 0.000 0.424 28 V N 2.646 122.633 119.914 0.122 0.000 2.876 28 V HA 0.478 4.598 4.120 -0.000 0.000 0.312 28 V C -0.798 175.368 176.094 0.121 0.000 1.085 28 V CA -0.674 61.688 62.300 0.103 0.000 0.945 28 V CB 2.452 34.329 31.823 0.090 0.000 1.017 28 V HN 0.906 nan 8.190 nan 0.000 0.428 29 D N 2.184 122.649 120.400 0.109 0.000 2.365 29 D HA 0.179 4.819 4.640 -0.000 0.000 0.237 29 D C 1.177 177.538 176.300 0.101 0.000 1.190 29 D CA 0.060 54.133 54.000 0.121 0.000 0.867 29 D CB 1.714 42.586 40.800 0.120 0.000 1.050 29 D HN 0.600 nan 8.370 nan 0.000 0.491 30 T N 2.622 117.243 114.554 0.113 0.000 2.803 30 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 30 T C 1.768 176.502 174.700 0.056 0.000 1.052 30 T CA 1.412 63.566 62.100 0.089 0.000 1.136 30 T CB 0.052 68.981 68.868 0.101 0.000 0.864 30 T HN 0.547 nan 8.240 nan 0.000 0.467 31 A N 1.830 124.684 122.820 0.057 0.000 1.855 31 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 31 A C 2.621 180.226 177.584 0.034 0.000 1.191 31 A CA 2.110 54.170 52.037 0.038 0.000 0.613 31 A CB -0.979 18.045 19.000 0.039 0.000 0.829 31 A HN 0.607 nan 8.150 nan 0.000 0.442 32 T N -5.341 109.240 114.554 0.045 0.000 3.037 32 T HA 0.415 4.765 4.350 -0.000 0.000 0.252 32 T C 1.440 176.163 174.700 0.039 0.000 1.073 32 T CA 1.149 63.273 62.100 0.039 0.000 1.091 32 T CB 0.282 69.177 68.868 0.045 0.000 0.935 32 T HN 1.772 nan 8.240 nan 0.000 0.488 33 G N 1.449 110.278 108.800 0.048 0.000 2.157 33 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 33 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 33 G C -0.187 174.742 174.900 0.047 0.000 0.979 33 G CA 0.214 45.341 45.100 0.045 0.000 0.650 33 G HN 0.865 nan 8.290 nan 0.000 0.529 34 E N 0.643 120.876 120.200 0.054 0.000 2.360 34 E HA 0.321 4.671 4.350 -0.000 0.000 0.269 34 E C 0.065 176.698 176.600 0.055 0.000 1.022 34 E CA -0.331 56.100 56.400 0.052 0.000 0.887 34 E CB 0.326 30.063 29.700 0.062 0.000 0.990 34 E HN 0.388 nan 8.360 nan 0.000 0.426 35 E N 4.885 125.110 120.200 0.042 0.000 1.996 35 E HA 0.065 4.415 4.350 -0.000 0.000 0.280 35 E C 0.665 177.285 176.600 0.034 0.000 1.092 35 E CA -0.189 56.234 56.400 0.039 0.000 0.862 35 E CB 0.473 30.185 29.700 0.021 0.000 1.066 35 E HN 0.641 nan 8.360 nan 0.000 0.396 36 L N 4.370 125.619 121.223 0.044 0.000 2.179 36 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 36 L C 0.259 177.176 176.870 0.078 0.000 1.096 36 L CA 0.567 55.419 54.840 0.021 0.000 0.779 36 L CB 0.064 42.089 42.059 -0.058 0.000 0.922 36 L HN 0.548 nan 8.230 nan 0.000 0.443 37 Y N -1.070 119.202 120.300 -0.047 0.000 2.521 37 Y HA 0.451 5.001 4.550 -0.000 0.000 0.332 37 Y C -1.056 174.838 175.900 -0.011 0.000 1.121 37 Y CA -1.024 57.052 58.100 -0.039 0.000 1.037 37 Y CB 1.911 40.333 38.460 -0.063 0.000 1.330 37 Y HN -0.255 nan 8.280 nan 0.000 0.452 38 S N 5.740 121.248 115.700 -0.321 0.000 2.626 38 S HA 0.643 5.112 4.470 -0.000 0.000 0.275 38 S C -1.990 172.481 174.600 -0.215 0.000 1.175 38 S CA -0.673 57.457 58.200 -0.117 0.000 0.982 38 S CB 0.823 63.984 63.200 -0.066 0.000 1.093 38 S HN 0.838 nan 8.310 nan 0.000 0.472 39 R N 3.466 123.952 120.500 -0.024 0.000 2.510 39 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 39 R C -1.057 175.272 176.300 0.047 0.000 1.084 39 R CA -0.280 55.818 56.100 -0.004 0.000 0.934 39 R CB 0.669 31.017 30.300 0.080 0.000 1.201 39 R HN 0.730 nan 8.270 nan 0.000 0.431 40 D N 3.047 123.460 120.400 0.022 0.000 2.751 40 D HA -0.165 4.475 4.640 -0.000 0.000 0.233 40 D C 0.812 177.135 176.300 0.039 0.000 1.149 40 D CA 1.398 55.416 54.000 0.030 0.000 0.682 40 D CB -0.668 40.155 40.800 0.039 0.000 1.068 40 D HN 0.923 nan 8.370 nan 0.000 0.429 41 G N 0.160 108.982 108.800 0.036 0.000 2.471 41 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.219 41 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.219 41 G C 1.475 176.399 174.900 0.040 0.000 1.125 41 G CA 0.875 46.003 45.100 0.046 0.000 0.775 41 G HN 0.446 nan 8.290 nan 0.000 0.548 42 G N -0.502 108.316 108.800 0.029 0.000 3.088 42 G HA2 0.277 4.237 3.960 -0.000 0.000 0.217 42 G HA3 0.277 4.237 3.960 -0.000 0.000 0.217 42 G C 0.240 175.153 174.900 0.022 0.000 1.159 42 G CA -0.236 44.879 45.100 0.025 0.000 0.760 42 G HN 0.349 nan 8.290 nan 0.000 0.550 43 E N 1.130 121.345 120.200 0.025 0.000 2.316 43 E HA 0.225 4.575 4.350 -0.000 0.000 0.275 43 E C 0.270 176.883 176.600 0.022 0.000 1.029 43 E CA -0.136 56.277 56.400 0.022 0.000 0.871 43 E CB 0.370 30.086 29.700 0.026 0.000 1.022 43 E HN 0.263 nan 8.360 nan 0.000 0.418 44 Q N 3.564 123.372 119.800 0.013 0.000 2.293 44 Q HA 0.358 4.698 4.340 -0.000 0.000 0.263 44 Q C -0.559 175.446 176.000 0.009 0.000 1.002 44 Q CA 0.026 55.832 55.803 0.005 0.000 0.910 44 Q CB 0.704 29.439 28.738 -0.006 0.000 1.185 44 Q HN 0.467 nan 8.270 nan 0.000 0.401 45 L N 2.020 123.250 121.223 0.011 0.000 2.376 45 L HA 0.446 4.785 4.340 -0.000 0.000 0.258 45 L C -0.967 175.908 176.870 0.009 0.000 1.013 45 L CA -1.274 53.576 54.840 0.017 0.000 0.822 45 L CB 1.252 43.331 42.059 0.034 0.000 1.388 45 L HN 0.380 nan 8.230 nan 0.000 0.413 46 L N 3.406 124.634 121.223 0.007 0.000 2.410 46 L HA 0.217 4.557 4.340 -0.000 0.000 0.273 46 L C -1.481 175.396 176.870 0.012 0.000 1.152 46 L CA -0.575 54.263 54.840 -0.004 0.000 0.855 46 L CB 0.276 42.326 42.059 -0.016 0.000 1.129 46 L HN 0.406 nan 8.230 nan 0.000 0.463 47 P HA 0.115 nan 4.420 nan 0.000 0.252 47 P C 0.502 177.814 177.300 0.020 0.000 1.218 47 P CA 0.874 63.996 63.100 0.036 0.000 0.807 47 P CB 0.699 32.441 31.700 0.071 0.000 1.072 48 A N 0.685 123.502 122.820 -0.005 0.000 5.821 48 A HA -0.239 4.081 4.320 -0.000 0.000 0.282 48 A C 1.630 179.209 177.584 -0.008 0.000 2.032 48 A CA 1.282 53.301 52.037 -0.030 0.000 0.715 48 A CB -2.448 16.531 19.000 -0.036 0.000 1.178 48 A HN 0.149 nan 8.150 nan 0.000 0.370 49 S N 0.734 116.418 115.700 -0.026 0.000 2.584 49 S HA -0.083 4.387 4.470 -0.000 0.000 0.240 49 S C 1.342 175.940 174.600 -0.004 0.000 0.975 49 S CA 1.237 59.429 58.200 -0.013 0.000 0.949 49 S CB -0.734 62.438 63.200 -0.047 0.000 0.761 49 S HN 0.611 nan 8.310 nan 0.000 0.536 50 N N 1.367 120.074 118.700 0.012 0.000 2.453 50 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 50 N C 1.412 177.008 175.510 0.144 0.000 1.041 50 N CA 0.414 53.480 53.050 0.025 0.000 0.900 50 N CB -0.297 38.210 38.487 0.033 0.000 0.961 50 N HN 0.312 nan 8.380 nan 0.000 0.443 51 M N 0.981 120.688 119.600 0.177 0.000 2.279 51 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 51 M C 1.269 177.758 176.300 0.315 0.000 1.062 51 M CA 1.522 56.997 55.300 0.292 0.000 1.099 51 M CB -0.039 32.658 32.600 0.162 0.000 1.394 51 M HN -0.079 nan 8.290 nan 0.000 0.426 52 K N -0.283 120.222 120.400 0.174 0.000 2.281 52 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 52 K C 1.836 178.502 176.600 0.110 0.000 1.046 52 K CA 1.196 57.569 56.287 0.143 0.000 0.938 52 K CB -0.444 32.016 32.500 -0.067 0.000 0.737 52 K HN 0.426 nan 8.250 nan 0.000 0.458 53 L N -0.305 120.954 121.223 0.060 0.000 2.046 53 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 53 L C 2.103 179.073 176.870 0.166 0.000 1.077 53 L CA 1.418 56.285 54.840 0.046 0.000 0.747 53 L CB -0.421 41.555 42.059 -0.138 0.000 0.896 53 L HN 0.098 nan 8.230 nan 0.000 0.432 54 F N -0.412 119.657 119.950 0.198 0.000 2.146 54 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 54 F C 2.669 178.564 175.800 0.159 0.000 1.096 54 F CA 1.476 59.571 58.000 0.158 0.000 1.275 54 F CB -1.072 37.992 39.000 0.106 0.000 1.008 54 F HN -0.037 nan 8.300 nan 0.000 0.480 55 T N -0.045 114.735 114.554 0.377 0.000 2.746 55 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 55 T C 2.299 177.177 174.700 0.296 0.000 1.039 55 T CA 1.304 63.591 62.100 0.311 0.000 1.142 55 T CB -0.657 68.426 68.868 0.359 0.000 0.866 55 T HN 0.292 nan 8.240 nan 0.000 0.444 56 A N 1.545 124.585 122.820 0.366 0.000 1.877 56 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 56 A C 2.670 180.344 177.584 0.150 0.000 1.186 56 A CA 1.850 54.108 52.037 0.368 0.000 0.620 56 A CB -1.192 18.025 19.000 0.361 0.000 0.822 56 A HN 0.500 nan 8.150 nan 0.000 0.443 57 A N -0.080 122.821 122.820 0.135 0.000 1.883 57 A HA 0.105 4.424 4.320 -0.000 0.000 0.217 57 A C 2.525 179.975 177.584 -0.223 0.000 1.186 57 A CA 2.353 54.223 52.037 -0.278 0.000 0.624 57 A CB -1.099 17.778 19.000 -0.205 0.000 0.822 57 A HN 1.116 nan 8.150 nan 0.000 0.444 58 A N -0.374 122.437 122.820 -0.016 0.000 1.933 58 A HA 0.196 4.516 4.320 -0.000 0.000 0.218 58 A C 2.476 180.034 177.584 -0.044 0.000 1.175 58 A CA 1.987 54.028 52.037 0.008 0.000 0.628 58 A CB -0.925 18.120 19.000 0.076 0.000 0.814 58 A HN 1.063 nan 8.150 nan 0.000 0.444 59 A N -0.296 122.502 122.820 -0.036 0.000 1.933 59 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 59 A C 2.132 179.629 177.584 -0.145 0.000 1.175 59 A CA 1.427 53.437 52.037 -0.046 0.000 0.628 59 A CB -0.535 18.486 19.000 0.036 0.000 0.814 59 A HN 0.465 nan 8.150 nan 0.000 0.444 60 L N -1.192 119.839 121.223 -0.321 0.000 2.141 60 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 60 L C 2.580 179.218 176.870 -0.387 0.000 1.094 60 L CA 1.609 56.117 54.840 -0.553 0.000 0.763 60 L CB -0.284 40.960 42.059 -1.358 0.000 0.908 60 L HN 0.472 nan 8.230 nan 0.000 0.437 61 E N -0.362 119.699 120.200 -0.232 0.000 2.112 61 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 61 E C 2.032 178.647 176.600 0.024 0.000 0.979 61 E CA 0.909 57.341 56.400 0.052 0.000 0.814 61 E CB 0.212 29.984 29.700 0.120 0.000 0.762 61 E HN 0.172 nan 8.360 nan 0.000 0.460 62 V N 0.135 120.032 119.914 -0.029 0.000 2.500 62 V HA -0.072 4.048 4.120 -0.000 0.000 0.243 62 V C 2.115 178.165 176.094 -0.073 0.000 1.039 62 V CA 1.143 63.424 62.300 -0.033 0.000 1.053 62 V CB -0.215 31.587 31.823 -0.037 0.000 0.695 62 V HN 0.258 nan 8.190 nan 0.000 0.463 63 L N -0.149 120.992 121.223 -0.137 0.000 2.298 63 L HA 0.488 4.828 4.340 -0.000 0.000 0.209 63 L C 1.125 177.939 176.870 -0.094 0.000 1.084 63 L CA 0.858 55.537 54.840 -0.267 0.000 0.816 63 L CB -0.440 41.321 42.059 -0.496 0.000 0.967 63 L HN 0.516 nan 8.230 nan 0.000 0.460 64 G N -0.664 108.108 108.800 -0.046 0.000 2.785 64 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.686 64 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.686 64 G C 0.480 175.404 174.900 0.041 0.000 1.155 64 G CA -0.353 44.763 45.100 0.027 0.000 0.760 64 G HN 0.181 nan 8.290 nan 0.000 0.624 65 A N 0.638 123.498 122.820 0.067 0.000 2.019 65 A HA 0.043 4.362 4.320 -0.000 0.000 0.219 65 A C 2.037 179.669 177.584 0.080 0.000 1.164 65 A CA 2.332 54.421 52.037 0.086 0.000 0.644 65 A CB -0.250 18.840 19.000 0.149 0.000 0.805 65 A HN 1.355 nan 8.150 nan 0.000 0.449 66 D N -1.551 118.889 120.400 0.066 0.000 2.339 66 D HA -0.029 4.611 4.640 -0.000 0.000 0.217 66 D C 0.507 176.796 176.300 -0.018 0.000 1.050 66 D CA -0.269 53.748 54.000 0.028 0.000 0.856 66 D CB -0.769 40.044 40.800 0.022 0.000 0.922 66 D HN 0.560 nan 8.370 nan 0.000 0.518 67 H N 1.290 120.295 119.070 -0.109 0.000 2.897 67 H HA 0.242 4.798 4.556 -0.000 0.000 0.347 67 H C -0.011 175.117 175.328 -0.333 0.000 1.068 67 H CA 0.408 56.319 56.048 -0.229 0.000 1.426 67 H CB 0.684 30.284 29.762 -0.269 0.000 1.410 67 H HN 0.052 nan 8.280 nan 0.000 0.597 68 S N 3.514 118.623 115.700 -0.985 0.000 2.599 68 S HA 0.583 5.053 4.470 -0.000 0.000 0.287 68 S C -1.250 172.740 174.600 -1.017 0.000 1.105 68 S CA -0.992 56.777 58.200 -0.718 0.000 0.899 68 S CB 1.362 64.323 63.200 -0.398 0.000 1.100 68 S HN 0.402 nan 8.310 nan 0.000 0.482 69 F N 0.339 120.123 119.950 -0.277 0.000 2.480 69 F HA 0.763 5.289 4.527 -0.000 0.000 0.329 69 F C 0.949 176.587 175.800 -0.270 0.000 1.091 69 F CA -0.370 57.491 58.000 -0.231 0.000 0.972 69 F CB 2.143 41.059 39.000 -0.140 0.000 1.150 69 F HN 0.974 nan 8.300 nan 0.000 0.467 70 G N 0.372 109.092 108.800 -0.132 0.000 2.473 70 G HA2 0.665 4.625 3.960 -0.000 0.000 0.321 70 G HA3 0.665 4.625 3.960 -0.000 0.000 0.321 70 G C -1.429 173.362 174.900 -0.182 0.000 1.200 70 G CA -0.680 44.309 45.100 -0.186 0.000 0.963 70 G HN 0.527 nan 8.290 nan 0.000 0.483 71 T N 0.882 115.356 114.554 -0.132 0.000 2.916 71 T HA 0.581 4.931 4.350 -0.000 0.000 0.298 71 T C -0.827 173.810 174.700 -0.104 0.000 1.031 71 T CA -0.527 61.498 62.100 -0.124 0.000 0.993 71 T CB 2.157 70.985 68.868 -0.066 0.000 1.045 71 T HN 0.609 nan 8.240 nan 0.000 0.454 72 E N 0.862 120.989 120.200 -0.122 0.000 2.433 72 E HA 0.713 5.063 4.350 -0.000 0.000 0.273 72 E C -1.396 175.154 176.600 -0.083 0.000 0.950 72 E CA -1.105 55.244 56.400 -0.084 0.000 0.796 72 E CB 2.442 32.101 29.700 -0.069 0.000 1.330 72 E HN 0.249 nan 8.360 nan 0.000 0.455 73 V N 0.845 120.743 119.914 -0.027 0.000 2.487 73 V HA 0.757 4.877 4.120 -0.000 0.000 0.298 73 V C -0.698 175.461 176.094 0.108 0.000 1.028 73 V CA -0.561 61.755 62.300 0.027 0.000 0.860 73 V CB 1.259 33.125 31.823 0.072 0.000 0.991 73 V HN 0.781 nan 8.190 nan 0.000 0.427 74 A N 3.644 126.579 122.820 0.191 0.000 2.454 74 A HA 1.048 5.368 4.320 -0.000 0.000 0.302 74 A C -0.466 177.337 177.584 0.365 0.000 1.079 74 A CA -0.213 51.963 52.037 0.232 0.000 0.731 74 A CB 2.052 21.181 19.000 0.215 0.000 1.299 74 A HN 1.469 nan 8.150 nan 0.000 0.413 75 A N -0.125 122.839 122.820 0.239 0.000 2.479 75 A HA 0.693 5.013 4.320 -0.000 0.000 0.296 75 A C 0.594 178.000 177.584 -0.297 0.000 1.121 75 A CA 0.094 52.211 52.037 0.133 0.000 0.743 75 A CB 1.006 20.042 19.000 0.060 0.000 1.323 75 A HN 0.974 nan 8.150 nan 0.000 0.415 76 E N 0.081 119.738 120.200 -0.904 0.000 2.160 76 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 76 E C 0.136 176.373 176.600 -0.605 0.000 0.991 76 E CA 1.629 57.181 56.400 -1.412 0.000 0.810 76 E CB 0.081 28.979 29.700 -1.336 0.000 0.742 76 E HN 0.611 nan 8.360 nan 0.000 0.466 77 S N -1.880 113.616 115.700 -0.340 0.000 2.643 77 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 77 S C -1.119 173.417 174.600 -0.107 0.000 1.166 77 S CA -0.545 57.541 58.200 -0.189 0.000 0.815 77 S CB 1.404 64.505 63.200 -0.165 0.000 1.139 77 S HN 0.329 nan 8.310 nan 0.000 0.472 78 A N 2.336 125.114 122.820 -0.069 0.000 2.448 78 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 78 A C -2.232 175.331 177.584 -0.035 0.000 1.080 78 A CA -0.749 51.265 52.037 -0.038 0.000 0.779 78 A CB -0.939 18.044 19.000 -0.029 0.000 1.026 78 A HN 0.531 nan 8.150 nan 0.000 0.499 79 P HA 0.144 nan 4.420 nan 0.000 0.268 79 P C 0.556 177.846 177.300 -0.018 0.000 1.208 79 P CA 0.425 63.517 63.100 -0.014 0.000 0.777 79 P CB 0.312 32.010 31.700 -0.004 0.000 0.875 80 G N 1.828 110.618 108.800 -0.016 0.000 2.525 80 G HA2 0.028 3.988 3.960 -0.000 0.000 0.276 80 G HA3 0.028 3.988 3.960 -0.000 0.000 0.276 80 G C 1.049 175.942 174.900 -0.012 0.000 1.388 80 G CA -0.533 44.558 45.100 -0.016 0.000 1.050 80 G HN 0.416 nan 8.290 nan 0.000 0.520 81 R N -0.937 119.557 120.500 -0.011 0.000 2.193 81 R HA -0.011 4.329 4.340 -0.000 0.000 0.229 81 R C 2.015 178.310 176.300 -0.008 0.000 1.110 81 R CA 0.881 56.975 56.100 -0.009 0.000 0.988 81 R CB -0.021 30.274 30.300 -0.008 0.000 0.871 81 R HN 0.316 nan 8.270 nan 0.000 0.458 82 R N -0.364 120.131 120.500 -0.007 0.000 2.507 82 R HA 0.141 4.481 4.340 -0.000 0.000 0.298 82 R C 0.430 176.726 176.300 -0.007 0.000 0.999 82 R CA 0.395 56.491 56.100 -0.007 0.000 1.082 82 R CB 1.085 31.381 30.300 -0.006 0.000 1.246 82 R HN 0.285 nan 8.270 nan 0.000 0.553 83 G N 2.447 111.243 108.800 -0.007 0.000 2.198 83 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 83 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 83 G C -0.103 174.794 174.900 -0.004 0.000 1.025 83 G CA 0.538 45.635 45.100 -0.006 0.000 0.769 83 G HN 0.463 nan 8.290 nan 0.000 0.507 84 E N -0.164 120.034 120.200 -0.004 0.000 2.222 84 E HA 0.717 5.066 4.350 -0.000 0.000 0.272 84 E C 0.185 176.787 176.600 0.002 0.000 0.982 84 E CA -0.307 56.093 56.400 -0.001 0.000 0.842 84 E CB 2.275 31.974 29.700 -0.000 0.000 1.144 84 E HN 1.065 nan 8.360 nan 0.000 0.397 85 V N -0.554 119.367 119.914 0.012 0.000 3.130 85 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 85 V C 0.387 176.504 176.094 0.039 0.000 1.158 85 V CA -0.861 61.451 62.300 0.021 0.000 1.029 85 V CB 1.475 33.322 31.823 0.039 0.000 1.057 85 V HN 0.742 nan 8.190 nan 0.000 0.436 86 Q N 0.997 120.832 119.800 0.059 0.000 1.738 86 Q HA 0.278 4.618 4.340 -0.000 0.000 0.471 86 Q C 0.117 176.201 176.000 0.141 0.000 0.931 86 Q CA 1.140 56.998 55.803 0.093 0.000 0.869 86 Q CB -0.168 28.636 28.738 0.109 0.000 1.561 86 Q HN 0.910 nan 8.270 nan 0.000 0.400 87 D N 0.255 120.807 120.400 0.253 0.000 2.312 87 D HA 0.312 4.952 4.640 -0.000 0.000 0.248 87 D C -0.737 175.774 176.300 0.351 0.000 1.086 87 D CA -0.085 54.098 54.000 0.305 0.000 0.948 87 D CB 0.856 41.968 40.800 0.521 0.000 1.162 87 D HN 0.279 nan 8.370 nan 0.000 0.446 88 L N 1.713 123.060 121.223 0.208 0.000 2.408 88 L HA 0.356 4.695 4.340 -0.000 0.000 0.268 88 L C -1.526 175.425 176.870 0.134 0.000 0.986 88 L CA -0.809 54.187 54.840 0.259 0.000 0.820 88 L CB 1.353 43.520 42.059 0.180 0.000 1.303 88 L HN 0.338 nan 8.230 nan 0.000 0.411 89 Y N 3.958 124.415 120.300 0.263 0.000 2.341 89 Y HA 0.381 4.931 4.550 -0.000 0.000 0.338 89 Y C -0.209 175.730 175.900 0.064 0.000 0.965 89 Y CA -0.702 57.504 58.100 0.178 0.000 1.108 89 Y CB 2.001 40.531 38.460 0.116 0.000 1.180 89 Y HN 0.346 nan 8.280 nan 0.000 0.458 90 L N 5.222 126.496 121.223 0.084 0.000 2.264 90 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 90 L C -1.200 175.634 176.870 -0.060 0.000 1.039 90 L CA -0.560 54.193 54.840 -0.145 0.000 0.829 90 L CB 0.330 42.190 42.059 -0.332 0.000 1.211 90 L HN 0.395 nan 8.230 nan 0.000 0.427 91 V N 5.104 124.978 119.914 -0.066 0.000 2.350 91 V HA 0.665 4.785 4.120 -0.000 0.000 0.276 91 V C 0.878 176.886 176.094 -0.143 0.000 1.028 91 V CA -0.317 61.942 62.300 -0.068 0.000 0.860 91 V CB 0.822 32.610 31.823 -0.058 0.000 0.990 91 V HN 0.870 nan 8.190 nan 0.000 0.453 92 G N 3.988 112.699 108.800 -0.148 0.000 2.356 92 G HA2 0.579 4.539 3.960 -0.000 0.000 0.322 92 G HA3 0.579 4.539 3.960 -0.000 0.000 0.322 92 G C 0.024 174.735 174.900 -0.314 0.000 1.125 92 G CA -0.693 44.284 45.100 -0.205 0.000 0.885 92 G HN 0.649 nan 8.290 nan 0.000 0.467 93 R N 1.549 121.787 120.500 -0.437 0.000 2.834 93 R HA 0.316 4.656 4.340 -0.000 0.000 0.362 93 R C 0.980 176.978 176.300 -0.504 0.000 1.147 93 R CA 0.146 55.744 56.100 -0.837 0.000 1.125 93 R CB 0.941 30.516 30.300 -1.209 0.000 1.361 93 R HN 1.031 nan 8.270 nan 0.000 0.598 94 G N 1.005 109.555 108.800 -0.416 0.000 2.141 94 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 94 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 94 G C -0.180 174.472 174.900 -0.414 0.000 0.982 94 G CA 0.096 45.008 45.100 -0.313 0.000 0.662 94 G HN 0.454 nan 8.290 nan 0.000 0.527 95 D N 0.894 121.118 120.400 -0.294 0.000 2.382 95 D HA 0.382 5.022 4.640 -0.000 0.000 0.259 95 D C -0.858 175.225 176.300 -0.362 0.000 1.224 95 D CA -1.664 52.140 54.000 -0.326 0.000 0.894 95 D CB 1.210 41.950 40.800 -0.100 0.000 1.127 95 D HN 0.198 nan 8.370 nan 0.000 0.487 96 P HA 0.104 nan 4.420 nan 0.000 0.257 96 P C 0.181 177.281 177.300 -0.333 0.000 1.281 96 P CA 0.306 63.150 63.100 -0.427 0.000 0.826 96 P CB 0.197 31.439 31.700 -0.763 0.000 1.237 97 T N -4.180 110.153 114.554 -0.370 0.000 3.393 97 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 97 T C 0.077 174.664 174.700 -0.189 0.000 1.004 97 T CA -0.365 61.414 62.100 -0.535 0.000 0.956 97 T CB -0.588 67.578 68.868 -1.170 0.000 1.182 97 T HN -0.040 nan 8.240 nan 0.000 0.497 98 L N 3.944 125.137 121.223 -0.050 0.000 2.385 98 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 98 L C 0.540 177.439 176.870 0.049 0.000 1.106 98 L CA -0.159 54.685 54.840 0.007 0.000 0.856 98 L CB 0.496 42.545 42.059 -0.016 0.000 1.186 98 L HN 0.598 nan 8.230 nan 0.000 0.453 99 S N 3.318 119.046 115.700 0.047 0.000 2.693 99 S HA 0.458 4.928 4.470 -0.000 0.000 0.276 99 S C 1.066 175.673 174.600 0.012 0.000 1.192 99 S CA -0.156 58.088 58.200 0.073 0.000 0.994 99 S CB 1.815 65.081 63.200 0.110 0.000 1.012 99 S HN 0.671 nan 8.310 nan 0.000 0.550 100 A N 0.444 123.280 122.820 0.027 0.000 1.972 100 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 100 A C 2.038 179.622 177.584 -0.000 0.000 1.169 100 A CA 1.877 53.926 52.037 0.019 0.000 0.635 100 A CB -1.219 17.797 19.000 0.027 0.000 0.810 100 A HN 0.974 nan 8.150 nan 0.000 0.446 101 E N 0.914 121.107 120.200 -0.011 0.000 2.110 101 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 101 E C 1.254 177.818 176.600 -0.060 0.000 0.988 101 E CA 1.717 58.103 56.400 -0.024 0.000 0.804 101 E CB -0.318 29.373 29.700 -0.016 0.000 0.745 101 E HN 0.547 nan 8.360 nan 0.000 0.458 102 D N 0.076 120.401 120.400 -0.125 0.000 2.144 102 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 102 D C 2.056 178.268 176.300 -0.147 0.000 0.984 102 D CA 0.880 54.708 54.000 -0.287 0.000 0.834 102 D CB -0.158 40.286 40.800 -0.592 0.000 0.955 102 D HN 0.286 nan 8.370 nan 0.000 0.465 103 L N 0.538 121.732 121.223 -0.049 0.000 2.046 103 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 103 L C 2.205 179.167 176.870 0.153 0.000 1.077 103 L CA 1.245 56.138 54.840 0.088 0.000 0.747 103 L CB -0.350 41.790 42.059 0.135 0.000 0.896 103 L HN -0.024 nan 8.230 nan 0.000 0.432 104 D N -0.006 120.428 120.400 0.056 0.000 2.117 104 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 104 D C 2.174 178.493 176.300 0.032 0.000 0.987 104 D CA 1.245 55.262 54.000 0.029 0.000 0.829 104 D CB 0.163 40.961 40.800 -0.002 0.000 0.961 104 D HN 0.247 nan 8.370 nan 0.000 0.460 105 A N 0.042 122.871 122.820 0.015 0.000 1.933 105 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 105 A C 2.307 179.923 177.584 0.054 0.000 1.175 105 A CA 1.453 53.500 52.037 0.017 0.000 0.628 105 A CB -0.617 18.376 19.000 -0.011 0.000 0.814 105 A HN 0.342 nan 8.150 nan 0.000 0.444 106 M N -0.887 118.769 119.600 0.093 0.000 2.254 106 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 106 M C 2.482 178.925 176.300 0.239 0.000 1.066 106 M CA 1.081 56.475 55.300 0.157 0.000 1.123 106 M CB -0.307 32.377 32.600 0.142 0.000 1.388 106 M HN 0.497 nan 8.290 nan 0.000 0.425 107 A N 0.485 123.446 122.820 0.235 0.000 1.902 107 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 107 A C 2.343 179.932 177.584 0.008 0.000 1.181 107 A CA 1.815 53.875 52.037 0.038 0.000 0.623 107 A CB -0.808 18.106 19.000 -0.143 0.000 0.818 107 A HN 0.478 nan 8.150 nan 0.000 0.443 108 A N -0.275 122.557 122.820 0.021 0.000 1.933 108 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 108 A C 1.923 179.521 177.584 0.023 0.000 1.175 108 A CA 1.626 53.668 52.037 0.009 0.000 0.628 108 A CB -0.481 18.524 19.000 0.009 0.000 0.814 108 A HN 0.633 nan 8.150 nan 0.000 0.444 109 E N -0.432 119.797 120.200 0.047 0.000 2.106 109 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 109 E C 1.961 178.592 176.600 0.052 0.000 0.984 109 E CA 1.137 57.567 56.400 0.049 0.000 0.806 109 E CB -0.184 29.553 29.700 0.060 0.000 0.750 109 E HN 0.417 nan 8.360 nan 0.000 0.458 110 V N 1.302 121.259 119.914 0.072 0.000 2.343 110 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 110 V C 2.318 178.429 176.094 0.028 0.000 1.051 110 V CA 1.835 64.176 62.300 0.069 0.000 1.036 110 V CB -0.652 31.231 31.823 0.101 0.000 0.654 110 V HN 0.305 nan 8.190 nan 0.000 0.451 111 A N 0.064 122.888 122.820 0.007 0.000 1.902 111 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 111 A C 2.382 179.967 177.584 0.000 0.000 1.181 111 A CA 2.007 54.039 52.037 -0.008 0.000 0.623 111 A CB -0.759 18.229 19.000 -0.021 0.000 0.818 111 A HN 0.573 nan 8.150 nan 0.000 0.443 112 A N -0.844 121.980 122.820 0.006 0.000 2.067 112 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 112 A C 2.193 179.783 177.584 0.009 0.000 1.158 112 A CA 1.636 53.677 52.037 0.007 0.000 0.661 112 A CB -0.581 18.424 19.000 0.009 0.000 0.801 112 A HN 0.403 nan 8.150 nan 0.000 0.452 113 S N -1.598 114.111 115.700 0.015 0.000 2.607 113 S HA 0.303 4.773 4.470 -0.000 0.000 0.224 113 S C 1.426 176.032 174.600 0.009 0.000 0.969 113 S CA 0.953 59.162 58.200 0.015 0.000 0.927 113 S CB -0.005 63.210 63.200 0.025 0.000 0.772 113 S HN 1.500 nan 8.310 nan 0.000 0.533 114 G N 0.290 109.093 108.800 0.006 0.000 2.184 114 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 114 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 114 G C 0.039 174.939 174.900 0.000 0.000 0.995 114 G CA -0.225 44.875 45.100 0.001 0.000 0.651 114 G HN 0.359 nan 8.290 nan 0.000 0.511 115 V N 1.113 121.030 119.914 0.004 0.000 2.488 115 V HA 0.503 4.623 4.120 -0.000 0.000 0.277 115 V C 1.396 177.485 176.094 -0.009 0.000 1.046 115 V CA 0.239 62.540 62.300 0.002 0.000 0.986 115 V CB 1.354 33.185 31.823 0.014 0.000 0.989 115 V HN 0.374 nan 8.190 nan 0.000 0.475 116 R N 1.735 122.228 120.500 -0.011 0.000 2.342 116 R HA 0.235 4.575 4.340 -0.000 0.000 0.204 116 R C -0.166 176.121 176.300 -0.022 0.000 0.882 116 R CA 0.321 56.410 56.100 -0.018 0.000 1.041 116 R CB 0.959 31.250 30.300 -0.015 0.000 1.188 116 R HN 0.732 nan 8.270 nan 0.000 0.598 117 T N 0.411 114.956 114.554 -0.015 0.000 2.952 117 T HA 0.309 4.659 4.350 -0.000 0.000 0.305 117 T C -0.964 173.733 174.700 -0.006 0.000 1.064 117 T CA -0.503 61.588 62.100 -0.016 0.000 1.008 117 T CB 3.005 71.866 68.868 -0.012 0.000 1.078 117 T HN -0.269 nan 8.240 nan 0.000 0.459 118 V N 4.174 124.082 119.914 -0.010 0.000 2.294 118 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 118 V C 1.341 177.435 176.094 0.001 0.000 1.027 118 V CA -0.521 61.781 62.300 0.004 0.000 0.823 118 V CB 0.683 32.504 31.823 -0.004 0.000 1.030 118 V HN 0.782 nan 8.190 nan 0.000 0.457 119 R N 2.816 123.324 120.500 0.013 0.000 2.115 119 R HA 0.028 4.368 4.340 -0.000 0.000 0.230 119 R C 1.584 177.893 176.300 0.016 0.000 1.111 119 R CA 1.134 57.241 56.100 0.012 0.000 0.976 119 R CB 0.114 30.425 30.300 0.019 0.000 0.870 119 R HN 0.761 nan 8.270 nan 0.000 0.445 120 G N 0.459 109.278 108.800 0.030 0.000 2.975 120 G HA2 0.080 4.040 3.960 -0.000 0.000 0.159 120 G HA3 0.080 4.040 3.960 -0.000 0.000 0.159 120 G C -0.466 174.417 174.900 -0.029 0.000 1.525 120 G CA -0.459 44.660 45.100 0.031 0.000 1.075 120 G HN -0.007 nan 8.290 nan 0.000 0.574 121 D N -0.510 119.843 120.400 -0.079 0.000 2.326 121 D HA 0.418 5.058 4.640 -0.000 0.000 0.251 121 D C -0.886 175.193 176.300 -0.369 0.000 1.023 121 D CA -0.336 53.497 54.000 -0.279 0.000 0.966 121 D CB 2.573 43.070 40.800 -0.505 0.000 1.156 121 D HN 0.121 nan 8.370 nan 0.000 0.494 122 L N 1.714 122.696 121.223 -0.402 0.000 2.287 122 L HA 0.333 4.673 4.340 -0.000 0.000 0.287 122 L C -1.642 174.953 176.870 -0.459 0.000 1.022 122 L CA -0.396 54.273 54.840 -0.285 0.000 0.814 122 L CB 0.468 42.471 42.059 -0.093 0.000 1.217 122 L HN 0.204 nan 8.230 nan 0.000 0.420 123 Y N 3.522 123.637 120.300 -0.308 0.000 2.409 123 Y HA 0.722 5.271 4.550 -0.000 0.000 0.339 123 Y C 0.321 176.132 175.900 -0.149 0.000 1.033 123 Y CA -0.696 57.215 58.100 -0.314 0.000 1.094 123 Y CB 1.988 40.032 38.460 -0.692 0.000 1.210 123 Y HN 0.721 nan 8.280 nan 0.000 0.456 124 A N 2.493 125.384 122.820 0.118 0.000 2.260 124 A HA 0.345 4.665 4.320 -0.000 0.000 0.312 124 A C -0.904 176.745 177.584 0.109 0.000 1.321 124 A CA -0.530 51.553 52.037 0.076 0.000 0.928 124 A CB -0.008 19.021 19.000 0.047 0.000 1.158 124 A HN 0.640 nan 8.150 nan 0.000 0.542 125 D N 2.845 123.309 120.400 0.106 0.000 2.412 125 D HA 0.261 4.901 4.640 -0.000 0.000 0.224 125 D C -0.521 175.798 176.300 0.032 0.000 1.093 125 D CA -0.259 53.802 54.000 0.100 0.000 0.850 125 D CB 1.116 42.001 40.800 0.142 0.000 1.046 125 D HN 0.531 nan 8.370 nan 0.000 0.507 126 D N 1.303 121.722 120.400 0.033 0.000 2.593 126 D HA -0.050 4.590 4.640 -0.000 0.000 0.241 126 D C 1.127 177.455 176.300 0.048 0.000 1.257 126 D CA -0.197 53.808 54.000 0.009 0.000 0.828 126 D CB -0.286 40.519 40.800 0.008 0.000 1.049 126 D HN 0.277 nan 8.370 nan 0.000 0.490 127 T N -4.065 110.527 114.554 0.063 0.000 3.098 127 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 127 T C 1.393 176.172 174.700 0.132 0.000 1.145 127 T CA -0.043 62.100 62.100 0.073 0.000 1.092 127 T CB -0.890 67.999 68.868 0.035 0.000 0.908 127 T HN 0.438 nan 8.240 nan 0.000 0.526 128 W N 1.130 122.380 121.300 -0.083 0.000 2.374 128 W HA 0.120 4.780 4.660 0.000 0.000 0.288 128 W C -0.310 176.291 176.519 0.137 0.000 1.218 128 W CA 0.229 57.530 57.345 -0.074 0.000 1.245 128 W CB -0.031 29.277 29.460 -0.253 0.000 1.126 128 W HN 0.257 nan 8.180 nan 0.000 0.545 129 F N 1.233 121.178 119.950 -0.009 0.000 2.575 129 F HA 0.111 4.638 4.527 -0.000 0.000 0.330 129 F C 0.664 176.390 175.800 -0.124 0.000 1.056 129 F CA -1.536 56.371 58.000 -0.155 0.000 0.964 129 F CB 0.898 39.818 39.000 -0.133 0.000 1.258 129 F HN -0.255 nan 8.300 nan 0.000 0.484 130 D N -0.817 119.597 120.400 0.023 0.000 2.414 130 D HA 0.040 4.680 4.640 -0.000 0.000 0.259 130 D C 0.429 176.735 176.300 0.010 0.000 1.269 130 D CA -0.433 53.559 54.000 -0.014 0.000 1.028 130 D CB 0.444 41.207 40.800 -0.063 0.000 1.093 130 D HN 0.376 nan 8.370 nan 0.000 0.545 131 S N -2.625 113.083 115.700 0.013 0.000 2.622 131 S HA 0.054 4.524 4.470 -0.000 0.000 0.236 131 S C 0.354 174.978 174.600 0.040 0.000 0.956 131 S CA -0.647 57.573 58.200 0.033 0.000 0.971 131 S CB -0.599 62.624 63.200 0.038 0.000 0.782 131 S HN 0.519 nan 8.310 nan 0.000 0.468 132 E N 1.863 122.079 120.200 0.028 0.000 2.070 132 E HA 0.175 4.525 4.350 -0.000 0.000 0.282 132 E C 0.554 177.241 176.600 0.144 0.000 1.104 132 E CA -0.465 55.997 56.400 0.105 0.000 0.876 132 E CB 0.354 30.162 29.700 0.180 0.000 1.055 132 E HN 0.225 nan 8.360 nan 0.000 0.401 133 R N 2.692 123.283 120.500 0.152 0.000 2.153 133 R HA 0.146 4.486 4.340 -0.000 0.000 0.218 133 R C 0.384 176.846 176.300 0.271 0.000 1.072 133 R CA 0.598 56.807 56.100 0.181 0.000 0.990 133 R CB -0.174 30.215 30.300 0.148 0.000 0.889 133 R HN 0.419 nan 8.270 nan 0.000 0.452 134 L N -0.425 120.902 121.223 0.173 0.000 2.393 134 L HA 0.394 4.734 4.340 -0.000 0.000 0.260 134 L C -0.423 176.050 176.870 -0.662 0.000 1.002 134 L CA -1.107 53.648 54.840 -0.143 0.000 0.818 134 L CB 2.605 44.709 42.059 0.076 0.000 1.369 134 L HN -0.372 nan 8.230 nan 0.000 0.412 135 V N 1.369 120.248 119.914 -1.726 0.000 2.637 135 V HA -0.033 4.087 4.120 -0.000 0.000 0.296 135 V C 0.840 176.435 176.094 -0.832 0.000 1.046 135 V CA 0.073 61.359 62.300 -1.690 0.000 1.066 135 V CB 0.902 31.381 31.823 -2.239 0.000 0.968 135 V HN 0.790 nan 8.190 nan 0.000 0.483 136 D N 3.475 123.565 120.400 -0.517 0.000 2.157 136 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 136 D C 1.467 177.691 176.300 -0.127 0.000 1.004 136 D CA 2.182 56.039 54.000 -0.238 0.000 0.854 136 D CB -0.047 40.649 40.800 -0.174 0.000 0.936 136 D HN 0.942 nan 8.370 nan 0.000 0.446 137 D N -1.171 119.146 120.400 -0.139 0.000 2.328 137 D HA -0.088 4.552 4.640 -0.000 0.000 0.221 137 D C 0.379 176.737 176.300 0.097 0.000 1.072 137 D CA -0.351 53.648 54.000 -0.001 0.000 0.850 137 D CB -0.526 40.258 40.800 -0.025 0.000 0.922 137 D HN 0.083 nan 8.370 nan 0.000 0.516 138 W N 0.856 122.077 121.300 -0.131 0.000 2.112 138 W HA 0.234 4.894 4.660 -0.000 0.000 0.349 138 W C 0.582 177.134 176.519 0.056 0.000 1.289 138 W CA -1.096 56.170 57.345 -0.132 0.000 1.256 138 W CB 0.021 29.441 29.460 -0.066 0.000 1.148 138 W HN -0.047 nan 8.180 nan 0.000 0.590 139 W N 2.742 124.178 121.300 0.228 0.000 2.338 139 W HA 0.217 4.877 4.660 -0.000 0.000 0.307 139 W C -1.317 175.282 176.519 0.134 0.000 1.167 139 W CA -2.680 54.751 57.345 0.142 0.000 1.208 139 W CB 0.054 29.576 29.460 0.102 0.000 1.228 139 W HN 0.190 nan 8.180 nan 0.000 0.499 140 P HA -0.191 nan 4.420 nan 0.000 0.219 140 P C 1.085 178.478 177.300 0.155 0.000 1.146 140 P CA 1.767 64.983 63.100 0.193 0.000 0.808 140 P CB 0.507 32.284 31.700 0.128 0.000 0.779 141 E N -0.693 119.611 120.200 0.172 0.000 2.265 141 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 141 E C 1.303 178.037 176.600 0.224 0.000 0.996 141 E CA 0.991 57.479 56.400 0.147 0.000 0.832 141 E CB -0.666 29.092 29.700 0.096 0.000 0.756 141 E HN 0.306 nan 8.360 nan 0.000 0.491 142 D N 0.012 120.580 120.400 0.280 0.000 2.348 142 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 142 D C 1.107 177.412 176.300 0.007 0.000 0.998 142 D CA 0.232 54.400 54.000 0.280 0.000 0.873 142 D CB 0.058 41.056 40.800 0.330 0.000 0.925 142 D HN 0.289 nan 8.370 nan 0.000 0.524 143 E N 0.513 120.713 120.200 0.000 0.000 2.171 143 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 143 E C -0.835 175.630 176.600 -0.226 0.000 0.997 143 E CA 0.897 57.257 56.400 -0.066 0.000 0.810 143 E CB -0.541 29.170 29.700 0.018 0.000 0.738 143 E HN 0.329 nan 8.360 nan 0.000 0.467 144 P HA -0.086 nan 4.420 nan 0.000 0.229 144 P C -0.482 176.403 177.300 -0.691 0.000 1.160 144 P CA 0.932 63.674 63.100 -0.597 0.000 0.777 144 P CB 0.069 31.297 31.700 -0.785 0.000 0.814 145 Y N -1.374 118.776 120.300 -0.251 0.000 2.320 145 Y HA 0.444 4.994 4.550 -0.000 0.000 0.324 145 Y C 1.996 177.661 175.900 -0.391 0.000 1.190 145 Y CA -0.959 56.932 58.100 -0.348 0.000 1.215 145 Y CB 0.321 38.471 38.460 -0.516 0.000 1.221 145 Y HN -0.202 nan 8.280 nan 0.000 0.486 146 A N 2.216 125.006 122.820 -0.049 0.000 1.927 146 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 146 A C 1.757 179.339 177.584 -0.004 0.000 1.185 146 A CA 2.370 54.403 52.037 -0.008 0.000 0.639 146 A CB -1.443 17.594 19.000 0.062 0.000 0.820 146 A HN 0.963 nan 8.150 nan 0.000 0.451 147 Y N -1.960 118.367 120.300 0.045 0.000 2.574 147 Y HA 0.247 4.797 4.550 -0.000 0.000 0.294 147 Y C 1.775 177.612 175.900 -0.105 0.000 1.142 147 Y CA 0.886 58.972 58.100 -0.024 0.000 1.314 147 Y CB -0.559 37.870 38.460 -0.052 0.000 0.991 147 Y HN 0.182 nan 8.280 nan 0.000 0.555 148 S N 0.402 115.896 115.700 -0.343 0.000 2.651 148 S HA 0.612 5.082 4.470 -0.000 0.000 0.246 148 S C 0.583 175.183 174.600 -0.001 0.000 1.039 148 S CA -0.271 57.774 58.200 -0.257 0.000 1.013 148 S CB -1.031 61.976 63.200 -0.323 0.000 0.861 148 S HN 0.596 nan 8.310 nan 0.000 0.485 149 A N 1.431 124.279 122.820 0.047 0.000 2.520 149 A HA 0.301 4.620 4.320 -0.000 0.000 0.235 149 A C 0.404 178.135 177.584 0.246 0.000 1.065 149 A CA 0.100 52.209 52.037 0.120 0.000 0.764 149 A CB 0.098 19.166 19.000 0.115 0.000 1.002 149 A HN 0.705 nan 8.150 nan 0.000 0.502 150 Q N 0.380 120.308 119.800 0.213 0.000 2.392 150 Q HA 0.199 4.539 4.340 -0.000 0.000 0.262 150 Q C -0.382 175.758 176.000 0.232 0.000 1.003 150 Q CA -0.031 55.917 55.803 0.242 0.000 0.888 150 Q CB 0.549 29.391 28.738 0.172 0.000 1.260 150 Q HN 0.551 nan 8.270 nan 0.000 0.435 151 I N 1.487 122.202 120.570 0.241 0.000 2.365 151 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 151 I C 0.188 176.383 176.117 0.129 0.000 1.004 151 I CA 0.226 61.631 61.300 0.176 0.000 1.311 151 I CB 0.935 38.988 38.000 0.089 0.000 1.401 151 I HN 0.483 nan 8.210 nan 0.000 0.491 152 S N 3.544 119.343 115.700 0.164 0.000 2.550 152 S HA 0.660 5.130 4.470 -0.000 0.000 0.270 152 S C 0.532 175.196 174.600 0.108 0.000 1.145 152 S CA 0.011 58.300 58.200 0.149 0.000 0.852 152 S CB 1.796 65.046 63.200 0.083 0.000 1.119 152 S HN 0.685 nan 8.310 nan 0.000 0.465 153 A N 2.786 125.565 122.820 -0.068 0.000 2.066 153 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 153 A C 0.703 178.121 177.584 -0.276 0.000 1.157 153 A CA 0.652 52.365 52.037 -0.539 0.000 0.670 153 A CB -0.254 18.388 19.000 -0.596 0.000 0.804 153 A HN 0.724 nan 8.150 nan 0.000 0.453 154 L N 0.432 121.580 121.223 -0.126 0.000 2.345 154 L HA 0.503 4.843 4.340 -0.000 0.000 0.274 154 L C -0.975 175.869 176.870 -0.044 0.000 0.999 154 L CA -0.063 54.719 54.840 -0.096 0.000 0.849 154 L CB 1.661 43.674 42.059 -0.077 0.000 1.220 154 L HN 0.160 nan 8.230 nan 0.000 0.422 155 T N 3.147 117.679 114.554 -0.037 0.000 2.956 155 T HA 0.470 4.820 4.350 -0.000 0.000 0.312 155 T C -1.120 173.590 174.700 0.017 0.000 1.151 155 T CA -0.287 61.818 62.100 0.007 0.000 1.024 155 T CB 1.803 70.698 68.868 0.045 0.000 1.140 155 T HN 0.159 nan 8.240 nan 0.000 0.473 156 V N 3.845 123.782 119.914 0.038 0.000 2.432 156 V HA 0.700 4.820 4.120 -0.000 0.000 0.275 156 V C 0.757 176.925 176.094 0.123 0.000 1.043 156 V CA -0.660 61.678 62.300 0.063 0.000 0.925 156 V CB 0.948 32.804 31.823 0.054 0.000 0.985 156 V HN 1.077 nan 8.190 nan 0.000 0.466 157 A N 3.778 126.696 122.820 0.164 0.000 2.289 157 A HA 0.554 4.874 4.320 -0.000 0.000 0.298 157 A C -0.391 177.349 177.584 0.260 0.000 1.208 157 A CA -0.331 51.867 52.037 0.268 0.000 0.845 157 A CB -0.033 19.201 19.000 0.391 0.000 1.125 157 A HN 1.017 nan 8.150 nan 0.000 0.517 158 H N 1.798 120.956 119.070 0.148 0.000 2.473 158 H HA 0.530 5.086 4.556 -0.000 0.000 0.327 158 H C 0.796 176.134 175.328 0.016 0.000 1.105 158 H CA 1.080 57.173 56.048 0.076 0.000 1.280 158 H CB 0.926 30.717 29.762 0.049 0.000 1.450 158 H HN 1.528 nan 8.280 nan 0.000 0.492 159 G N 3.485 111.862 108.800 -0.706 0.000 2.877 159 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.279 159 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.279 159 G C 0.814 175.424 174.900 -0.484 0.000 1.431 159 G CA 0.210 45.002 45.100 -0.514 0.000 0.883 159 G HN 0.910 nan 8.290 nan 0.000 0.547 160 E N -0.467 119.491 120.200 -0.404 0.000 2.409 160 E HA -0.034 4.316 4.350 -0.000 0.000 0.198 160 E C 2.047 178.374 176.600 -0.454 0.000 1.024 160 E CA 1.079 57.185 56.400 -0.490 0.000 0.861 160 E CB 0.007 29.599 29.700 -0.180 0.000 0.788 160 E HN 0.576 nan 8.360 nan 0.000 0.521 161 R N -0.130 120.196 120.500 -0.290 0.000 2.300 161 R HA 0.146 4.486 4.340 -0.000 0.000 0.199 161 R C -0.353 175.998 176.300 0.086 0.000 0.920 161 R CA 0.046 56.074 56.100 -0.120 0.000 1.046 161 R CB -0.160 29.915 30.300 -0.375 0.000 0.984 161 R HN 0.111 nan 8.270 nan 0.000 0.493 162 F N 1.818 121.867 119.950 0.165 0.000 2.807 162 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 162 F C -0.674 175.236 175.800 0.183 0.000 1.024 162 F CA 0.155 58.281 58.000 0.211 0.000 1.008 162 F CB -1.363 37.845 39.000 0.345 0.000 1.142 162 F HN 0.069 nan 8.300 nan 0.000 0.829 163 D N 1.393 121.937 120.400 0.241 0.000 2.325 163 D HA 0.203 4.843 4.640 -0.000 0.000 0.251 163 D C 0.809 177.237 176.300 0.213 0.000 1.196 163 D CA 0.266 54.367 54.000 0.169 0.000 0.866 163 D CB 1.254 42.126 40.800 0.120 0.000 1.101 163 D HN 0.344 nan 8.370 nan 0.000 0.476 164 T N -1.641 113.035 114.554 0.203 0.000 2.899 164 T HA 0.457 4.807 4.350 -0.000 0.000 0.284 164 T C 1.225 176.008 174.700 0.140 0.000 1.004 164 T CA -0.165 62.047 62.100 0.186 0.000 1.043 164 T CB 1.550 70.535 68.868 0.195 0.000 1.013 164 T HN 0.529 nan 8.240 nan 0.000 0.518 165 G N 0.324 109.196 108.800 0.120 0.000 2.258 165 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.274 165 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.274 165 G C 0.122 175.071 174.900 0.081 0.000 1.021 165 G CA 0.465 45.624 45.100 0.099 0.000 0.798 165 G HN 1.857 nan 8.290 nan 0.000 0.507 166 V N -4.315 115.644 119.914 0.076 0.000 3.126 166 V HA 0.997 5.117 4.120 -0.000 0.000 0.314 166 V C -0.055 176.052 176.094 0.022 0.000 1.138 166 V CA -0.152 62.170 62.300 0.036 0.000 1.034 166 V CB 2.114 33.941 31.823 0.007 0.000 1.075 166 V HN 0.786 nan 8.190 nan 0.000 0.442 167 T N 0.445 114.988 114.554 -0.019 0.000 2.906 167 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 167 T C -1.040 173.591 174.700 -0.115 0.000 1.061 167 T CA -0.375 61.709 62.100 -0.027 0.000 1.000 167 T CB 1.769 70.658 68.868 0.035 0.000 1.103 167 T HN 1.106 nan 8.240 nan 0.000 0.486 168 E N 2.914 123.023 120.200 -0.152 0.000 2.130 168 E HA 0.516 4.866 4.350 -0.000 0.000 0.284 168 E C -0.984 175.582 176.600 -0.057 0.000 1.018 168 E CA -0.606 55.691 56.400 -0.172 0.000 0.817 168 E CB 0.759 30.333 29.700 -0.210 0.000 1.078 168 E HN 0.380 nan 8.360 nan 0.000 0.396 169 V N 4.185 124.072 119.914 -0.044 0.000 2.439 169 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 169 V C -0.106 175.984 176.094 -0.007 0.000 1.039 169 V CA -0.516 61.775 62.300 -0.015 0.000 0.913 169 V CB 1.389 33.205 31.823 -0.012 0.000 0.983 169 V HN 0.749 nan 8.190 nan 0.000 0.460 170 S N 4.068 119.770 115.700 0.003 0.000 2.519 170 S HA 0.803 5.273 4.470 -0.000 0.000 0.309 170 S C -1.030 173.575 174.600 0.008 0.000 1.100 170 S CA -0.701 57.503 58.200 0.007 0.000 1.059 170 S CB 1.720 64.927 63.200 0.012 0.000 1.008 170 S HN 0.384 nan 8.310 nan 0.000 0.478 171 V N 3.188 123.107 119.914 0.008 0.000 2.487 171 V HA 0.749 4.868 4.120 -0.000 0.000 0.298 171 V C 0.137 176.236 176.094 0.008 0.000 1.028 171 V CA -0.470 61.834 62.300 0.008 0.000 0.860 171 V CB 1.504 33.332 31.823 0.008 0.000 0.991 171 V HN 1.123 nan 8.190 nan 0.000 0.427 172 T N 3.257 117.815 114.554 0.008 0.000 2.893 172 T HA 0.674 5.024 4.350 -0.000 0.000 0.291 172 T C -2.941 171.763 174.700 0.006 0.000 1.028 172 T CA -2.303 59.801 62.100 0.007 0.000 0.995 172 T CB 2.455 71.327 68.868 0.008 0.000 1.051 172 T HN 0.465 nan 8.240 nan 0.000 0.470 173 P HA 0.473 nan 4.420 nan 0.000 0.274 173 P C -0.395 176.907 177.300 0.004 0.000 1.231 173 P CA -0.308 62.795 63.100 0.005 0.000 0.790 173 P CB 1.124 32.827 31.700 0.005 0.000 0.951 174 A N 2.419 125.241 122.820 0.004 0.000 3.934 174 A HA 0.771 5.091 4.320 -0.000 0.000 0.163 174 A C -0.025 177.561 177.584 0.003 0.000 1.103 174 A CA -0.212 51.827 52.037 0.003 0.000 1.170 174 A CB -0.271 18.731 19.000 0.003 0.000 1.564 174 A HN 0.567 nan 8.150 nan 0.000 0.705 175 A N -0.035 122.786 122.820 0.002 0.000 2.340 175 A HA 0.495 4.815 4.320 -0.000 0.000 0.268 175 A C 0.233 177.818 177.584 0.002 0.000 1.100 175 A CA -0.211 51.828 52.037 0.002 0.000 0.803 175 A CB -0.136 18.866 19.000 0.002 0.000 1.043 175 A HN 0.674 nan 8.150 nan 0.000 0.488 176 E N 0.788 120.989 120.200 0.002 0.000 2.558 176 E HA 0.234 4.584 4.350 -0.000 0.000 0.255 176 E C 1.254 177.855 176.600 0.001 0.000 0.968 176 E CA 1.205 57.606 56.400 0.002 0.000 0.939 176 E CB -0.039 29.662 29.700 0.002 0.000 0.921 176 E HN 1.455 nan 8.360 nan 0.000 0.477 177 G N 3.774 112.574 108.800 0.001 0.000 2.217 177 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 177 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 177 G C 0.011 174.912 174.900 0.001 0.000 0.990 177 G CA 0.342 45.443 45.100 0.001 0.000 0.627 177 G HN 0.604 nan 8.290 nan 0.000 0.522 178 E N 1.896 122.097 120.200 0.001 0.000 2.250 178 E HA 0.421 4.770 4.350 -0.000 0.000 0.269 178 E C -2.422 174.179 176.600 0.001 0.000 1.018 178 E CA -1.889 54.512 56.400 0.001 0.000 0.873 178 E CB 1.458 31.159 29.700 0.001 0.000 1.134 178 E HN 0.212 nan 8.360 nan 0.000 0.403 179 P HA -0.013 nan 4.420 nan 0.000 0.267 179 P C -0.673 176.628 177.300 0.002 0.000 1.200 179 P CA 0.107 63.207 63.100 0.001 0.000 0.772 179 P CB 0.516 32.216 31.700 0.000 0.000 0.855 180 A N 2.872 125.694 122.820 0.002 0.000 2.346 180 A HA 0.193 4.513 4.320 -0.000 0.000 0.252 180 A C 0.204 177.790 177.584 0.003 0.000 1.089 180 A CA -0.198 51.841 52.037 0.003 0.000 0.797 180 A CB -0.163 18.839 19.000 0.004 0.000 1.047 180 A HN 0.486 nan 8.150 nan 0.000 0.494 181 D N 0.211 120.614 120.400 0.004 0.000 2.198 181 D HA 0.486 5.126 4.640 -0.000 0.000 0.245 181 D C -0.846 175.458 176.300 0.006 0.000 1.079 181 D CA 0.168 54.171 54.000 0.005 0.000 0.854 181 D CB 1.654 42.457 40.800 0.006 0.000 1.148 181 D HN 0.138 nan 8.370 nan 0.000 0.456 182 V N 2.073 121.990 119.914 0.006 0.000 2.588 182 V HA 0.279 4.399 4.120 -0.000 0.000 0.304 182 V C -0.449 175.651 176.094 0.009 0.000 1.042 182 V CA -0.854 61.449 62.300 0.006 0.000 0.877 182 V CB 2.200 34.026 31.823 0.003 0.000 0.996 182 V HN 0.449 nan 8.190 nan 0.000 0.425 183 D N 2.919 123.326 120.400 0.012 0.000 2.391 183 D HA 0.497 5.137 4.640 -0.000 0.000 0.245 183 D C 0.441 176.752 176.300 0.019 0.000 1.069 183 D CA -0.496 53.515 54.000 0.018 0.000 0.831 183 D CB 1.797 42.609 40.800 0.020 0.000 1.204 183 D HN 0.436 nan 8.370 nan 0.000 0.503 184 L N 3.469 124.708 121.223 0.026 0.000 2.611 184 L HA 0.335 4.675 4.340 -0.000 0.000 0.229 184 L C 1.609 178.504 176.870 0.042 0.000 1.137 184 L CA 0.165 55.023 54.840 0.029 0.000 0.901 184 L CB -0.956 41.123 42.059 0.033 0.000 1.098 184 L HN 0.809 nan 8.230 nan 0.000 0.456 185 G N 1.031 109.858 108.800 0.045 0.000 2.583 185 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.292 185 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.292 185 G C 0.988 175.937 174.900 0.083 0.000 1.203 185 G CA 0.468 45.602 45.100 0.056 0.000 0.987 185 G HN 0.304 nan 8.290 nan 0.000 0.554 186 A N -0.405 122.471 122.820 0.093 0.000 1.978 186 A HA 0.294 4.614 4.320 -0.000 0.000 0.220 186 A C 2.833 180.518 177.584 0.169 0.000 1.170 186 A CA 3.237 55.342 52.037 0.114 0.000 0.636 186 A CB -0.837 18.228 19.000 0.108 0.000 0.810 186 A HN 2.294 nan 8.150 nan 0.000 0.448 187 A N -0.472 122.442 122.820 0.157 0.000 2.235 187 A HA 0.119 4.439 4.320 -0.000 0.000 0.208 187 A C 0.589 178.282 177.584 0.181 0.000 1.172 187 A CA -0.045 52.120 52.037 0.213 0.000 0.786 187 A CB -0.199 18.915 19.000 0.190 0.000 0.804 187 A HN 0.414 nan 8.150 nan 0.000 0.479 188 E N -0.200 120.098 120.200 0.163 0.000 2.415 188 E HA 0.268 4.617 4.350 -0.000 0.000 0.260 188 E C 1.158 177.883 176.600 0.208 0.000 1.016 188 E CA 1.097 57.579 56.400 0.136 0.000 0.924 188 E CB 0.336 30.104 29.700 0.112 0.000 0.961 188 E HN 0.655 nan 8.360 nan 0.000 0.459 189 G N 3.173 112.031 108.800 0.096 0.000 2.175 189 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.244 189 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.244 189 G C 0.449 175.220 174.900 -0.215 0.000 0.982 189 G CA 0.540 45.674 45.100 0.057 0.000 0.641 189 G HN 0.594 nan 8.290 nan 0.000 0.527 190 Y N 0.413 120.491 120.300 -0.370 0.000 2.817 190 Y HA 0.717 5.267 4.550 -0.000 0.000 0.257 190 Y C 1.599 177.391 175.900 -0.181 0.000 1.055 190 Y CA 1.402 59.248 58.100 -0.424 0.000 1.319 190 Y CB -0.040 38.159 38.460 -0.435 0.000 1.481 190 Y HN 0.662 nan 8.280 nan 0.000 0.471 191 A N 1.525 124.215 122.820 -0.218 0.000 2.286 191 A HA 0.437 4.757 4.320 -0.000 0.000 0.286 191 A C -0.329 177.162 177.584 -0.154 0.000 1.097 191 A CA -0.566 51.321 52.037 -0.250 0.000 0.821 191 A CB 0.289 19.238 19.000 -0.085 0.000 1.076 191 A HN 0.443 nan 8.150 nan 0.000 0.490 192 E N -0.417 119.697 120.200 -0.143 0.000 2.283 192 E HA 0.422 4.771 4.350 -0.000 0.000 0.267 192 E C -1.380 175.183 176.600 -0.062 0.000 1.045 192 E CA -0.646 55.698 56.400 -0.094 0.000 0.884 192 E CB 1.775 31.420 29.700 -0.092 0.000 1.106 192 E HN 0.430 nan 8.360 nan 0.000 0.408 193 L N 1.787 122.984 121.223 -0.043 0.000 2.341 193 L HA 0.343 4.682 4.340 -0.000 0.000 0.278 193 L C -1.082 175.773 176.870 -0.026 0.000 1.005 193 L CA -0.301 54.522 54.840 -0.029 0.000 0.818 193 L CB 1.559 43.608 42.059 -0.018 0.000 1.259 193 L HN 0.293 nan 8.230 nan 0.000 0.418 194 D N 3.161 123.546 120.400 -0.024 0.000 2.432 194 D HA 0.209 4.849 4.640 -0.000 0.000 0.265 194 D C -1.080 175.211 176.300 -0.015 0.000 1.160 194 D CA -0.222 53.766 54.000 -0.020 0.000 0.911 194 D CB 0.334 41.120 40.800 -0.023 0.000 1.052 194 D HN 0.486 nan 8.370 nan 0.000 0.508 195 N N 2.430 121.123 118.700 -0.011 0.000 2.462 195 N HA 0.229 4.969 4.740 -0.000 0.000 0.242 195 N C -0.063 175.443 175.510 -0.005 0.000 1.010 195 N CA -0.141 52.904 53.050 -0.007 0.000 0.939 195 N CB 0.465 38.950 38.487 -0.005 0.000 1.127 195 N HN 0.232 nan 8.380 nan 0.000 0.509 196 R N 1.675 122.173 120.500 -0.004 0.000 2.577 196 R HA 0.412 4.752 4.340 -0.000 0.000 0.344 196 R C -0.091 176.209 176.300 -0.001 0.000 1.037 196 R CA -0.361 55.736 56.100 -0.003 0.000 1.102 196 R CB 0.739 31.036 30.300 -0.004 0.000 1.313 196 R HN 0.468 nan 8.270 nan 0.000 0.561 197 A N 0.539 123.359 122.820 -0.000 0.000 2.322 197 A HA 0.578 4.898 4.320 -0.000 0.000 0.269 197 A C -0.006 177.579 177.584 0.002 0.000 1.094 197 A CA -0.319 51.719 52.037 0.002 0.000 0.807 197 A CB 0.708 19.710 19.000 0.003 0.000 1.047 197 A HN 0.038 nan 8.150 nan 0.000 0.487 198 V N 0.163 120.079 119.914 0.002 0.000 2.960 198 V HA 0.529 4.649 4.120 -0.000 0.000 0.315 198 V C 0.201 176.297 176.094 0.003 0.000 1.087 198 V CA -0.689 61.612 62.300 0.002 0.000 0.982 198 V CB 1.968 33.792 31.823 0.002 0.000 1.039 198 V HN 0.863 nan 8.190 nan 0.000 0.437 199 T N 2.430 116.986 114.554 0.003 0.000 2.728 199 T HA 0.536 4.886 4.350 -0.000 0.000 0.296 199 T C 0.510 175.212 174.700 0.003 0.000 0.940 199 T CA 0.055 62.157 62.100 0.003 0.000 1.013 199 T CB 1.047 69.916 68.868 0.003 0.000 0.912 199 T HN 1.044 nan 8.240 nan 0.000 0.484 200 G N 1.716 110.517 108.800 0.003 0.000 2.588 200 G HA2 0.596 4.555 3.960 -0.000 0.000 0.281 200 G HA3 0.596 4.555 3.960 -0.000 0.000 0.281 200 G C 0.065 174.967 174.900 0.002 0.000 1.236 200 G CA -0.808 44.294 45.100 0.003 0.000 0.969 200 G HN 0.951 nan 8.290 nan 0.000 0.504 201 A N -0.597 122.224 122.820 0.002 0.000 2.425 201 A HA 0.587 4.906 4.320 -0.000 0.000 0.242 201 A C 1.036 178.621 177.584 0.002 0.000 1.077 201 A CA 0.378 52.416 52.037 0.002 0.000 0.781 201 A CB -0.136 18.865 19.000 0.002 0.000 1.020 201 A HN 1.902 nan 8.150 nan 0.000 0.494 202 A N 0.446 123.268 122.820 0.002 0.000 2.546 202 A HA 0.476 4.795 4.320 -0.000 0.000 0.243 202 A C 1.597 179.182 177.584 0.002 0.000 1.063 202 A CA 0.808 52.846 52.037 0.002 0.000 0.757 202 A CB -0.863 18.138 19.000 0.002 0.000 0.991 202 A HN 2.761 nan 8.150 nan 0.000 0.503 203 G N 1.540 110.342 108.800 0.002 0.000 2.176 203 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 203 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 203 G C 0.623 175.525 174.900 0.002 0.000 0.979 203 G CA 0.962 46.063 45.100 0.002 0.000 0.641 203 G HN 2.088 nan 8.290 nan 0.000 0.530 204 S N -0.032 115.670 115.700 0.002 0.000 2.661 204 S HA 0.805 5.275 4.470 -0.000 0.000 0.265 204 S C 0.759 175.361 174.600 0.003 0.000 1.225 204 S CA 0.384 58.585 58.200 0.002 0.000 0.986 204 S CB 1.706 64.908 63.200 0.002 0.000 1.008 204 S HN 1.895 nan 8.310 nan 0.000 0.565 205 A N 1.170 123.992 122.820 0.003 0.000 2.425 205 A HA 0.390 4.710 4.320 -0.000 0.000 0.249 205 A C 0.320 177.906 177.584 0.004 0.000 1.084 205 A CA -0.507 51.532 52.037 0.003 0.000 0.781 205 A CB -0.435 18.567 19.000 0.002 0.000 1.019 205 A HN 0.802 nan 8.150 nan 0.000 0.490 206 N N 1.191 119.894 118.700 0.004 0.000 2.420 206 N HA 0.205 4.945 4.740 -0.000 0.000 0.249 206 N C 0.490 176.004 175.510 0.007 0.000 1.033 206 N CA 0.418 53.472 53.050 0.006 0.000 0.944 206 N CB 0.755 39.246 38.487 0.006 0.000 1.113 206 N HN 0.599 nan 8.380 nan 0.000 0.502 207 T N 1.115 115.673 114.554 0.007 0.000 3.182 207 T HA 0.178 4.528 4.350 -0.000 0.000 0.277 207 T C 0.604 175.310 174.700 0.012 0.000 1.013 207 T CA -0.536 61.569 62.100 0.009 0.000 0.900 207 T CB -0.345 68.527 68.868 0.007 0.000 1.098 207 T HN 0.265 nan 8.240 nan 0.000 0.543 208 L N 2.626 123.857 121.223 0.012 0.000 2.525 208 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 208 L C -0.597 176.286 176.870 0.022 0.000 1.218 208 L CA 0.373 55.222 54.840 0.015 0.000 0.878 208 L CB 0.590 42.657 42.059 0.014 0.000 1.127 208 L HN 0.167 nan 8.230 nan 0.000 0.492 209 V N 6.880 126.808 119.914 0.024 0.000 2.577 209 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 209 V C -0.203 175.911 176.094 0.033 0.000 1.042 209 V CA -0.490 61.831 62.300 0.036 0.000 0.872 209 V CB 1.777 33.620 31.823 0.035 0.000 0.998 209 V HN 0.569 nan 8.190 nan 0.000 0.423 210 I N 4.171 124.769 120.570 0.047 0.000 2.382 210 I HA 0.556 4.726 4.170 -0.000 0.000 0.286 210 I C -0.753 175.376 176.117 0.020 0.000 1.002 210 I CA -0.087 61.229 61.300 0.028 0.000 1.135 210 I CB 1.737 39.754 38.000 0.029 0.000 1.288 210 I HN 0.632 nan 8.210 nan 0.000 0.448 211 D N 4.920 125.309 120.400 -0.018 0.000 2.559 211 D HA 0.464 5.104 4.640 -0.000 0.000 0.250 211 D C -0.910 175.336 176.300 -0.090 0.000 1.135 211 D CA -0.781 53.180 54.000 -0.065 0.000 0.955 211 D CB 2.123 42.906 40.800 -0.029 0.000 1.442 211 D HN 0.396 nan 8.370 nan 0.000 0.471 212 R N 1.780 122.201 120.500 -0.131 0.000 2.407 212 R HA 0.468 4.808 4.340 -0.000 0.000 0.298 212 R C -2.593 173.656 176.300 -0.086 0.000 1.166 212 R CA -1.738 54.299 56.100 -0.105 0.000 1.006 212 R CB 1.326 31.553 30.300 -0.123 0.000 1.145 212 R HN 0.226 nan 8.270 nan 0.000 0.538 213 P HA -0.157 nan 4.420 nan 0.000 0.261 213 P C -0.206 177.072 177.300 -0.036 0.000 1.173 213 P CA 0.030 63.106 63.100 -0.041 0.000 0.760 213 P CB 0.683 32.364 31.700 -0.032 0.000 0.783 214 V N 4.653 124.552 119.914 -0.024 0.000 2.720 214 V HA 0.144 4.263 4.120 -0.000 0.000 0.307 214 V C 1.469 177.560 176.094 -0.005 0.000 1.071 214 V CA 1.970 64.265 62.300 -0.009 0.000 1.199 214 V CB -0.609 31.218 31.823 0.007 0.000 0.900 214 V HN 1.001 nan 8.190 nan 0.000 0.494 215 G N 3.598 112.399 108.800 0.002 0.000 2.162 215 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 215 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 215 G C 0.316 175.209 174.900 -0.011 0.000 0.976 215 G CA 0.964 46.066 45.100 0.003 0.000 0.655 215 G HN 1.841 nan 8.290 nan 0.000 0.533 216 T N -3.161 111.379 114.554 -0.023 0.000 2.907 216 T HA 0.653 5.003 4.350 -0.000 0.000 0.290 216 T C -0.100 174.569 174.700 -0.053 0.000 1.066 216 T CA -0.120 61.956 62.100 -0.039 0.000 1.012 216 T CB 2.125 70.967 68.868 -0.043 0.000 1.184 216 T HN 0.240 nan 8.240 nan 0.000 0.522 217 N N 0.205 118.855 118.700 -0.083 0.000 2.598 217 N HA 0.323 5.063 4.740 -0.000 0.000 0.309 217 N C -1.195 174.240 175.510 -0.125 0.000 1.645 217 N CA -0.330 52.649 53.050 -0.118 0.000 0.936 217 N CB 0.376 38.738 38.487 -0.209 0.000 1.323 217 N HN 0.696 nan 8.380 nan 0.000 0.497 218 T N 0.926 115.429 114.554 -0.086 0.000 2.824 218 T HA 0.411 4.761 4.350 -0.000 0.000 0.282 218 T C -0.146 174.518 174.700 -0.059 0.000 0.993 218 T CA -0.518 61.538 62.100 -0.074 0.000 0.967 218 T CB 1.211 70.043 68.868 -0.061 0.000 0.960 218 T HN -0.012 nan 8.240 nan 0.000 0.441 219 I N 3.216 123.755 120.570 -0.051 0.000 2.301 219 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 219 I C 0.549 176.646 176.117 -0.033 0.000 1.046 219 I CA -0.702 60.573 61.300 -0.042 0.000 1.282 219 I CB 0.367 38.349 38.000 -0.030 0.000 1.409 219 I HN 0.685 nan 8.210 nan 0.000 0.484 220 A N 7.503 130.303 122.820 -0.032 0.000 2.260 220 A HA 0.666 4.986 4.320 -0.000 0.000 0.314 220 A C -0.390 177.186 177.584 -0.014 0.000 1.257 220 A CA -0.455 51.569 52.037 -0.023 0.000 0.871 220 A CB 0.818 19.804 19.000 -0.023 0.000 1.166 220 A HN 0.440 nan 8.150 nan 0.000 0.522 221 V N 3.192 123.101 119.914 -0.009 0.000 2.417 221 V HA 0.710 4.830 4.120 -0.000 0.000 0.291 221 V C 0.407 176.501 176.094 0.000 0.000 1.024 221 V CA -0.022 62.277 62.300 -0.001 0.000 0.861 221 V CB 1.309 33.132 31.823 -0.001 0.000 0.985 221 V HN 1.119 nan 8.190 nan 0.000 0.436 222 T N 0.829 115.386 114.554 0.005 0.000 2.838 222 T HA 0.955 5.305 4.350 -0.000 0.000 0.292 222 T C 0.105 174.810 174.700 0.007 0.000 1.113 222 T CA -0.101 62.002 62.100 0.005 0.000 1.008 222 T CB 1.862 70.733 68.868 0.004 0.000 1.259 222 T HN 1.953 nan 8.240 nan 0.000 0.520 223 G N 0.256 109.059 108.800 0.006 0.000 2.582 223 G HA2 0.249 4.209 3.960 -0.000 0.000 0.222 223 G HA3 0.249 4.209 3.960 -0.000 0.000 0.222 223 G C -0.415 174.489 174.900 0.006 0.000 1.311 223 G CA -0.199 44.905 45.100 0.007 0.000 0.915 223 G HN 1.598 nan 8.290 nan 0.000 0.528 224 S N -1.136 114.568 115.700 0.006 0.000 2.532 224 S HA 0.669 5.139 4.470 -0.000 0.000 0.299 224 S C -0.887 173.716 174.600 0.006 0.000 1.105 224 S CA -0.409 57.794 58.200 0.005 0.000 1.018 224 S CB 1.344 64.546 63.200 0.004 0.000 1.021 224 S HN 1.633 nan 8.310 nan 0.000 0.483 225 L N 6.642 127.868 121.223 0.005 0.000 2.305 225 L HA 0.671 5.011 4.340 -0.000 0.000 0.284 225 L C -2.597 174.275 176.870 0.005 0.000 1.013 225 L CA -1.898 52.946 54.840 0.006 0.000 0.819 225 L CB 1.368 43.431 42.059 0.006 0.000 1.227 225 L HN 0.414 nan 8.230 nan 0.000 0.417 226 P HA 0.066 nan 4.420 nan 0.000 0.266 226 P C 0.004 177.307 177.300 0.004 0.000 1.195 226 P CA 0.213 63.315 63.100 0.004 0.000 0.768 226 P CB 0.774 32.477 31.700 0.004 0.000 0.838 227 A N 3.531 126.353 122.820 0.003 0.000 2.024 227 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 227 A C 1.372 178.958 177.584 0.004 0.000 1.164 227 A CA 1.961 54.000 52.037 0.003 0.000 0.643 227 A CB -0.935 18.067 19.000 0.003 0.000 0.806 227 A HN 0.645 nan 8.150 nan 0.000 0.451 228 D N -0.651 119.751 120.400 0.004 0.000 2.368 228 D HA 0.405 5.045 4.640 -0.000 0.000 0.218 228 D C 0.521 176.824 176.300 0.004 0.000 1.112 228 D CA 0.420 54.422 54.000 0.004 0.000 0.834 228 D CB -0.511 40.291 40.800 0.003 0.000 0.953 228 D HN 0.333 nan 8.370 nan 0.000 0.505 229 A N 0.476 123.299 122.820 0.005 0.000 2.351 229 A HA 0.602 4.922 4.320 -0.000 0.000 0.257 229 A C 0.680 178.267 177.584 0.006 0.000 1.087 229 A CA -0.119 51.922 52.037 0.005 0.000 0.798 229 A CB 0.417 19.420 19.000 0.006 0.000 1.033 229 A HN 0.354 nan 8.150 nan 0.000 0.488 230 A N 2.420 125.244 122.820 0.006 0.000 2.346 230 A HA 0.589 4.909 4.320 -0.000 0.000 0.252 230 A C -2.184 175.405 177.584 0.008 0.000 1.089 230 A CA -1.151 50.890 52.037 0.007 0.000 0.797 230 A CB -0.788 18.216 19.000 0.007 0.000 1.047 230 A HN 0.668 nan 8.150 nan 0.000 0.494 231 P HA 0.229 nan 4.420 nan 0.000 0.267 231 P C -0.919 176.387 177.300 0.009 0.000 1.200 231 P CA -0.023 63.082 63.100 0.009 0.000 0.772 231 P CB 0.476 32.182 31.700 0.010 0.000 0.855 232 V N 3.389 123.309 119.914 0.010 0.000 2.370 232 V HA 0.320 4.440 4.120 -0.000 0.000 0.283 232 V C 0.121 176.220 176.094 0.009 0.000 1.023 232 V CA 0.008 62.315 62.300 0.010 0.000 0.857 232 V CB 1.450 33.280 31.823 0.011 0.000 0.985 232 V HN 0.534 nan 8.190 nan 0.000 0.443 233 T N 4.491 119.050 114.554 0.009 0.000 2.812 233 T HA 0.810 5.159 4.350 -0.000 0.000 0.282 233 T C -0.287 174.413 174.700 0.000 0.000 0.990 233 T CA -0.375 61.727 62.100 0.004 0.000 0.960 233 T CB 1.631 70.504 68.868 0.008 0.000 0.948 233 T HN 0.937 nan 8.240 nan 0.000 0.438 234 A N 3.192 126.007 122.820 -0.009 0.000 2.549 234 A HA 0.773 5.092 4.320 -0.000 0.000 0.297 234 A C -1.195 176.368 177.584 -0.035 0.000 1.061 234 A CA -0.792 51.242 52.037 -0.005 0.000 0.690 234 A CB 1.158 20.173 19.000 0.026 0.000 1.287 234 A HN 0.798 nan 8.150 nan 0.000 0.402 235 L N 2.522 123.723 121.223 -0.037 0.000 2.292 235 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 235 L C 0.064 176.919 176.870 -0.025 0.000 1.065 235 L CA -0.607 54.189 54.840 -0.073 0.000 0.806 235 L CB 0.766 42.778 42.059 -0.077 0.000 1.175 235 L HN 0.620 nan 8.230 nan 0.000 0.431 236 R N 1.100 121.572 120.500 -0.048 0.000 2.686 236 R HA 0.417 4.757 4.340 -0.000 0.000 0.283 236 R C -0.314 175.953 176.300 -0.054 0.000 0.978 236 R CA -0.688 55.374 56.100 -0.063 0.000 0.897 236 R CB 2.200 32.459 30.300 -0.068 0.000 1.192 236 R HN 0.719 nan 8.270 nan 0.000 0.457 237 T N -1.634 112.874 114.554 -0.076 0.000 2.813 237 T HA 0.462 4.812 4.350 -0.000 0.000 0.297 237 T C 0.698 175.399 174.700 0.001 0.000 1.036 237 T CA -0.574 61.509 62.100 -0.029 0.000 1.044 237 T CB 0.843 69.685 68.868 -0.043 0.000 0.993 237 T HN 0.367 nan 8.240 nan 0.000 0.535 238 V N -1.444 118.505 119.914 0.058 0.000 3.074 238 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 238 V C -0.633 175.535 176.094 0.123 0.000 1.117 238 V CA -1.326 61.039 62.300 0.108 0.000 1.014 238 V CB 1.686 33.648 31.823 0.231 0.000 1.057 238 V HN 0.967 nan 8.190 nan 0.000 0.438 239 D N 1.682 122.154 120.400 0.121 0.000 2.304 239 D HA 0.258 4.898 4.640 -0.000 0.000 0.250 239 D C -0.033 176.385 176.300 0.197 0.000 1.107 239 D CA 0.680 54.747 54.000 0.112 0.000 0.885 239 D CB 0.426 41.254 40.800 0.047 0.000 1.192 239 D HN 0.800 nan 8.370 nan 0.000 0.436 240 E N 2.424 122.717 120.200 0.155 0.000 2.937 240 E HA -0.147 4.203 4.350 -0.000 0.000 0.152 240 E C -1.939 174.740 176.600 0.131 0.000 1.769 240 E CA 0.066 56.557 56.400 0.152 0.000 0.688 240 E CB -0.756 29.049 29.700 0.176 0.000 1.091 240 E HN 0.508 nan 8.360 nan 0.000 0.362 241 P HA -0.211 nan 4.420 nan 0.000 0.216 241 P C 1.404 178.702 177.300 -0.003 0.000 1.150 241 P CA 2.193 65.323 63.100 0.050 0.000 0.843 241 P CB 0.172 31.914 31.700 0.070 0.000 0.787 242 A N -0.162 122.668 122.820 0.016 0.000 1.933 242 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 242 A C 2.296 179.865 177.584 -0.026 0.000 1.175 242 A CA 2.014 54.050 52.037 -0.002 0.000 0.628 242 A CB -1.542 17.471 19.000 0.022 0.000 0.814 242 A HN 0.206 nan 8.150 nan 0.000 0.444 243 A N -0.586 122.223 122.820 -0.018 0.000 1.930 243 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 243 A C 2.089 179.469 177.584 -0.339 0.000 1.175 243 A CA 1.613 53.623 52.037 -0.045 0.000 0.627 243 A CB -0.516 18.575 19.000 0.151 0.000 0.815 243 A HN 0.686 nan 8.150 nan 0.000 0.443 244 L N -0.178 120.700 121.223 -0.575 0.000 2.056 244 L HA -0.004 4.335 4.340 -0.000 0.000 0.207 244 L C 2.593 179.326 176.870 -0.229 0.000 1.078 244 L CA 2.121 56.529 54.840 -0.721 0.000 0.749 244 L CB -0.867 40.903 42.059 -0.483 0.000 0.901 244 L HN 0.318 nan 8.230 nan 0.000 0.433 245 A N -0.400 122.345 122.820 -0.124 0.000 1.908 245 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 245 A C 2.344 179.935 177.584 0.012 0.000 1.181 245 A CA 1.593 53.605 52.037 -0.041 0.000 0.627 245 A CB -1.596 17.378 19.000 -0.045 0.000 0.818 245 A HN 0.536 nan 8.150 nan 0.000 0.445 246 G N -1.308 107.494 108.800 0.004 0.000 2.418 246 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 246 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 246 G C 1.497 176.458 174.900 0.101 0.000 1.158 246 G CA 1.450 46.594 45.100 0.072 0.000 0.771 246 G HN 0.745 nan 8.290 nan 0.000 0.545 247 H N 0.661 119.691 119.070 -0.067 0.000 2.321 247 H HA 0.072 4.628 4.556 -0.000 0.000 0.300 247 H C 2.494 177.814 175.328 -0.014 0.000 1.087 247 H CA 1.513 57.532 56.048 -0.048 0.000 1.319 247 H CB -0.345 29.346 29.762 -0.119 0.000 1.379 247 H HN 0.271 nan 8.280 nan 0.000 0.501 248 L N -1.138 120.035 121.223 -0.084 0.000 2.093 248 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 248 L C 2.201 179.059 176.870 -0.021 0.000 1.085 248 L CA 1.065 55.842 54.840 -0.105 0.000 0.755 248 L CB -0.490 41.563 42.059 -0.010 0.000 0.904 248 L HN 0.253 nan 8.230 nan 0.000 0.435 249 F N 0.953 120.843 119.950 -0.101 0.000 2.186 249 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 249 F C 2.615 178.365 175.800 -0.082 0.000 1.090 249 F CA 1.442 59.397 58.000 -0.076 0.000 1.307 249 F CB -0.216 38.754 39.000 -0.051 0.000 1.019 249 F HN 0.092 nan 8.300 nan 0.000 0.489 250 E N 0.752 120.880 120.200 -0.120 0.000 2.077 250 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 250 E C 1.923 178.384 176.600 -0.233 0.000 0.989 250 E CA 1.680 57.963 56.400 -0.194 0.000 0.800 250 E CB -0.214 29.434 29.700 -0.087 0.000 0.746 250 E HN 0.601 nan 8.360 nan 0.000 0.452 251 E N 0.194 120.255 120.200 -0.232 0.000 2.106 251 E HA -0.125 4.224 4.350 -0.000 0.000 0.192 251 E C 2.070 178.558 176.600 -0.186 0.000 0.984 251 E CA 0.881 57.157 56.400 -0.208 0.000 0.806 251 E CB -0.122 29.434 29.700 -0.241 0.000 0.750 251 E HN 0.302 nan 8.360 nan 0.000 0.458 252 A N 1.321 124.018 122.820 -0.205 0.000 1.930 252 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 252 A C 2.197 179.623 177.584 -0.264 0.000 1.175 252 A CA 0.913 52.836 52.037 -0.189 0.000 0.627 252 A CB -0.552 18.369 19.000 -0.131 0.000 0.815 252 A HN 0.108 nan 8.150 nan 0.000 0.443 253 L N -0.595 120.375 121.223 -0.422 0.000 1.994 253 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 253 L C 2.715 179.455 176.870 -0.218 0.000 1.071 253 L CA 1.399 56.006 54.840 -0.388 0.000 0.745 253 L CB -0.560 41.205 42.059 -0.490 0.000 0.892 253 L HN 0.361 nan 8.230 nan 0.000 0.431 254 E N -0.112 119.977 120.200 -0.186 0.000 2.085 254 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 254 E C 2.325 178.865 176.600 -0.100 0.000 0.994 254 E CA 1.511 57.838 56.400 -0.122 0.000 0.801 254 E CB -0.220 29.417 29.700 -0.105 0.000 0.743 254 E HN 0.382 nan 8.360 nan 0.000 0.453 255 S N 1.137 116.774 115.700 -0.106 0.000 2.423 255 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 255 S C 1.350 175.908 174.600 -0.071 0.000 1.014 255 S CA 0.486 58.639 58.200 -0.079 0.000 0.965 255 S CB -0.061 63.093 63.200 -0.075 0.000 0.785 255 S HN 0.240 nan 8.310 nan 0.000 0.495 256 N N 0.516 119.163 118.700 -0.088 0.000 2.276 256 N HA 0.156 4.896 4.740 -0.000 0.000 0.212 256 N C 0.928 176.401 175.510 -0.062 0.000 1.127 256 N CA 0.556 53.564 53.050 -0.070 0.000 0.834 256 N CB 0.758 39.200 38.487 -0.076 0.000 1.014 256 N HN 0.486 nan 8.380 nan 0.000 0.491 257 G N 0.244 109.006 108.800 -0.063 0.000 2.136 257 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 257 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 257 G C -0.102 174.764 174.900 -0.057 0.000 0.989 257 G CA -0.021 45.048 45.100 -0.052 0.000 0.682 257 G HN 0.183 nan 8.290 nan 0.000 0.522 258 V N 1.531 121.397 119.914 -0.079 0.000 2.347 258 V HA 0.547 4.667 4.120 -0.000 0.000 0.280 258 V C 0.655 176.698 176.094 -0.085 0.000 1.021 258 V CA -0.203 62.048 62.300 -0.081 0.000 0.847 258 V CB 1.540 33.300 31.823 -0.105 0.000 0.990 258 V HN 0.286 nan 8.190 nan 0.000 0.444 259 T N 4.764 119.281 114.554 -0.061 0.000 2.817 259 T HA 0.406 4.756 4.350 -0.000 0.000 0.293 259 T C -0.042 174.625 174.700 -0.055 0.000 0.964 259 T CA -0.200 61.867 62.100 -0.055 0.000 1.085 259 T CB 1.313 70.158 68.868 -0.038 0.000 0.921 259 T HN 0.359 nan 8.240 nan 0.000 0.502 260 V N 5.850 125.727 119.914 -0.061 0.000 2.311 260 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 260 V C 1.132 177.200 176.094 -0.044 0.000 1.022 260 V CA -0.675 61.590 62.300 -0.058 0.000 0.830 260 V CB 1.121 32.898 31.823 -0.076 0.000 1.012 260 V HN 0.775 nan 8.190 nan 0.000 0.452 261 K N 3.225 123.605 120.400 -0.034 0.000 2.007 261 K HA 0.056 4.376 4.320 -0.000 0.000 0.206 261 K C 1.456 178.039 176.600 -0.029 0.000 1.047 261 K CA 1.142 57.413 56.287 -0.025 0.000 0.937 261 K CB -0.145 32.346 32.500 -0.015 0.000 0.718 261 K HN 0.710 nan 8.250 nan 0.000 0.438 262 G N 1.828 110.604 108.800 -0.039 0.000 2.468 262 G HA2 0.034 3.994 3.960 -0.000 0.000 0.264 262 G HA3 0.034 3.994 3.960 -0.000 0.000 0.264 262 G C -0.115 174.744 174.900 -0.069 0.000 1.460 262 G CA -0.311 44.757 45.100 -0.053 0.000 1.060 262 G HN 0.098 nan 8.290 nan 0.000 0.543 263 D N -1.547 118.794 120.400 -0.098 0.000 2.440 263 D HA 0.483 5.123 4.640 -0.000 0.000 0.258 263 D C -0.391 175.815 176.300 -0.157 0.000 1.092 263 D CA -0.223 53.721 54.000 -0.094 0.000 1.016 263 D CB 1.889 42.647 40.800 -0.069 0.000 1.141 263 D HN 0.048 nan 8.370 nan 0.000 0.552 264 V N -0.145 119.710 119.914 -0.098 0.000 2.459 264 V HA 0.778 4.898 4.120 -0.000 0.000 0.295 264 V C 0.637 176.689 176.094 -0.070 0.000 1.029 264 V CA -0.296 61.944 62.300 -0.100 0.000 0.874 264 V CB 1.352 33.179 31.823 0.007 0.000 0.985 264 V HN 0.775 nan 8.190 nan 0.000 0.438 265 G N 3.238 111.976 108.800 -0.102 0.000 2.606 265 G HA2 0.597 4.557 3.960 -0.000 0.000 0.300 265 G HA3 0.597 4.557 3.960 -0.000 0.000 0.300 265 G C -1.726 173.253 174.900 0.132 0.000 1.360 265 G CA -0.933 44.182 45.100 0.025 0.000 0.783 265 G HN 0.567 nan 8.290 nan 0.000 0.484 266 L N 0.406 121.738 121.223 0.182 0.000 2.326 266 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 266 L C 0.717 177.734 176.870 0.245 0.000 1.092 266 L CA -0.122 54.829 54.840 0.186 0.000 0.810 266 L CB 1.377 43.508 42.059 0.121 0.000 1.153 266 L HN 0.951 nan 8.230 nan 0.000 0.439 267 G N 1.144 110.052 108.800 0.181 0.000 2.596 267 G HA2 0.490 4.450 3.960 -0.000 0.000 0.296 267 G HA3 0.490 4.450 3.960 -0.000 0.000 0.296 267 G C -1.225 173.728 174.900 0.088 0.000 1.513 267 G CA -0.382 44.717 45.100 -0.000 0.000 0.851 267 G HN 0.768 nan 8.290 nan 0.000 0.548 268 G N -0.521 108.268 108.800 -0.019 0.000 2.389 268 G HA2 0.606 4.566 3.960 -0.000 0.000 0.328 268 G HA3 0.606 4.566 3.960 -0.000 0.000 0.328 268 G C 0.147 174.813 174.900 -0.390 0.000 1.133 268 G CA -0.554 44.498 45.100 -0.081 0.000 0.891 268 G HN 1.118 nan 8.290 nan 0.000 0.485 269 V N 3.374 122.894 119.914 -0.656 0.000 2.539 269 V HA -0.034 4.086 4.120 -0.000 0.000 0.300 269 V C -0.701 174.824 176.094 -0.949 0.000 1.019 269 V CA -0.266 61.291 62.300 -1.238 0.000 1.160 269 V CB 1.083 32.445 31.823 -0.768 0.000 0.901 269 V HN 0.680 nan 8.190 nan 0.000 0.481 270 P HA -0.317 nan 4.420 nan 0.000 0.219 270 P C 1.249 178.269 177.300 -0.468 0.000 1.151 270 P CA 2.143 64.751 63.100 -0.820 0.000 0.850 270 P CB 0.033 31.058 31.700 -1.124 0.000 0.784 271 A N -0.829 121.741 122.820 -0.416 0.000 4.287 271 A HA -0.299 4.021 4.320 -0.000 0.000 0.258 271 A C 1.550 179.104 177.584 -0.049 0.000 0.811 271 A CA 1.813 53.751 52.037 -0.164 0.000 1.245 271 A CB -2.645 16.273 19.000 -0.137 0.000 1.055 271 A HN 0.489 nan 8.150 nan 0.000 0.763 272 D N -1.728 118.645 120.400 -0.046 0.000 2.336 272 D HA 0.055 4.695 4.640 -0.000 0.000 0.229 272 D C -0.083 176.365 176.300 0.247 0.000 1.061 272 D CA 0.059 54.103 54.000 0.075 0.000 0.875 272 D CB -0.311 40.529 40.800 0.065 0.000 0.904 272 D HN 0.581 nan 8.370 nan 0.000 0.525 273 W N 2.592 123.860 121.300 -0.054 0.000 2.367 273 W HA 0.283 4.943 4.660 -0.000 0.000 0.329 273 W C 1.063 177.558 176.519 -0.040 0.000 1.066 273 W CA -1.062 56.253 57.345 -0.049 0.000 1.435 273 W CB 0.468 29.881 29.460 -0.078 0.000 1.296 273 W HN 0.120 nan 8.180 nan 0.000 0.401 274 Q N 0.137 120.025 119.800 0.146 0.000 2.222 274 Q HA 0.110 4.450 4.340 -0.000 0.000 0.206 274 Q C -0.280 175.747 176.000 0.044 0.000 0.877 274 Q CA 0.185 56.035 55.803 0.079 0.000 0.958 274 Q CB 0.472 29.240 28.738 0.050 0.000 1.075 274 Q HN 0.327 nan 8.270 nan 0.000 0.483 275 D N 0.411 120.833 120.400 0.037 0.000 3.868 275 D HA 0.211 4.851 4.640 -0.000 0.000 0.283 275 D C -0.857 175.429 176.300 -0.024 0.000 1.439 275 D CA -0.133 53.867 54.000 -0.001 0.000 0.760 275 D CB 0.354 41.138 40.800 -0.028 0.000 1.335 275 D HN 0.356 nan 8.370 nan 0.000 0.737 276 A N 0.781 123.624 122.820 0.039 0.000 2.555 276 A HA 0.363 4.682 4.320 -0.000 0.000 0.233 276 A C 0.404 177.995 177.584 0.012 0.000 1.060 276 A CA 0.252 52.320 52.037 0.051 0.000 0.759 276 A CB 0.447 19.578 19.000 0.218 0.000 0.995 276 A HN 0.322 nan 8.150 nan 0.000 0.506 277 E N 1.491 121.684 120.200 -0.012 0.000 2.133 277 E HA 0.462 4.812 4.350 -0.000 0.000 0.274 277 E C -1.136 175.486 176.600 0.037 0.000 0.930 277 E CA -0.360 56.038 56.400 -0.003 0.000 0.770 277 E CB 1.209 30.890 29.700 -0.032 0.000 1.104 277 E HN 0.317 nan 8.360 nan 0.000 0.403 278 V N 7.566 127.498 119.914 0.031 0.000 2.372 278 V HA 0.089 4.209 4.120 -0.000 0.000 0.261 278 V C 1.072 177.188 176.094 0.036 0.000 1.055 278 V CA 0.016 62.338 62.300 0.037 0.000 0.930 278 V CB 0.552 32.384 31.823 0.016 0.000 1.031 278 V HN 0.820 nan 8.190 nan 0.000 0.479 279 L N 3.918 125.175 121.223 0.057 0.000 2.375 279 L HA 0.465 4.805 4.340 -0.000 0.000 0.215 279 L C 0.941 177.848 176.870 0.061 0.000 1.108 279 L CA 0.782 55.657 54.840 0.058 0.000 0.830 279 L CB -0.004 42.103 42.059 0.080 0.000 0.959 279 L HN 0.741 nan 8.230 nan 0.000 0.457 280 A N 0.089 122.945 122.820 0.060 0.000 2.608 280 A HA 0.603 4.923 4.320 -0.000 0.000 0.292 280 A C -1.913 175.688 177.584 0.028 0.000 1.066 280 A CA -0.600 51.471 52.037 0.056 0.000 0.676 280 A CB 1.402 20.460 19.000 0.097 0.000 1.277 280 A HN 0.159 nan 8.150 nan 0.000 0.413 281 D N -0.878 119.539 120.400 0.029 0.000 2.622 281 D HA 0.631 5.271 4.640 -0.000 0.000 0.255 281 D C -0.911 175.431 176.300 0.070 0.000 1.246 281 D CA -0.325 53.683 54.000 0.013 0.000 0.795 281 D CB 0.903 41.690 40.800 -0.023 0.000 1.369 281 D HN 0.816 nan 8.370 nan 0.000 0.425 282 H N -1.499 117.532 119.070 -0.066 0.000 2.894 282 H HA 0.728 5.284 4.556 -0.000 0.000 0.367 282 H C -1.551 173.735 175.328 -0.071 0.000 1.144 282 H CA -0.329 55.686 56.048 -0.056 0.000 1.180 282 H CB 2.282 32.013 29.762 -0.051 0.000 1.758 282 H HN 0.402 nan 8.280 nan 0.000 0.541 283 T N 3.234 117.326 114.554 -0.769 0.000 2.824 283 T HA 0.405 4.755 4.350 -0.000 0.000 0.282 283 T C -0.205 174.063 174.700 -0.721 0.000 0.993 283 T CA -0.579 61.178 62.100 -0.573 0.000 0.967 283 T CB 1.039 69.718 68.868 -0.315 0.000 0.960 283 T HN 0.743 nan 8.240 nan 0.000 0.441 284 S N 2.336 117.796 115.700 -0.400 0.000 2.641 284 S HA 0.752 5.222 4.470 -0.000 0.000 0.261 284 S C 0.717 175.243 174.600 -0.123 0.000 1.257 284 S CA -0.743 57.338 58.200 -0.199 0.000 0.983 284 S CB 0.447 63.633 63.200 -0.024 0.000 0.990 284 S HN 0.949 nan 8.310 nan 0.000 0.572 285 A N 0.296 123.087 122.820 -0.049 0.000 2.310 285 A HA 0.370 4.690 4.320 -0.000 0.000 0.260 285 A C 0.434 178.015 177.584 -0.005 0.000 1.112 285 A CA -0.544 51.486 52.037 -0.012 0.000 0.804 285 A CB -0.403 18.617 19.000 0.033 0.000 1.081 285 A HN 0.886 nan 8.150 nan 0.000 0.499 286 E N -0.621 119.583 120.200 0.007 0.000 2.390 286 E HA 0.121 4.471 4.350 -0.000 0.000 0.261 286 E C 0.789 177.436 176.600 0.077 0.000 1.076 286 E CA -0.534 55.871 56.400 0.008 0.000 0.905 286 E CB 0.556 30.265 29.700 0.015 0.000 0.984 286 E HN 0.561 nan 8.360 nan 0.000 0.427 287 L N 2.996 124.278 121.223 0.100 0.000 2.043 287 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 287 L C 2.250 179.213 176.870 0.156 0.000 1.075 287 L CA 2.508 57.451 54.840 0.172 0.000 0.752 287 L CB -0.896 41.263 42.059 0.166 0.000 0.891 287 L HN 0.702 nan 8.230 nan 0.000 0.432 288 S N -1.306 114.471 115.700 0.129 0.000 2.387 288 S HA -0.219 4.251 4.470 -0.000 0.000 0.230 288 S C 1.770 176.462 174.600 0.153 0.000 1.035 288 S CA 1.354 59.640 58.200 0.143 0.000 1.014 288 S CB -0.677 62.602 63.200 0.131 0.000 0.836 288 S HN 0.582 nan 8.310 nan 0.000 0.466 289 E N 1.548 121.833 120.200 0.141 0.000 2.072 289 E HA 0.140 4.490 4.350 -0.000 0.000 0.190 289 E C 2.158 178.879 176.600 0.202 0.000 0.982 289 E CA 0.764 57.258 56.400 0.158 0.000 0.803 289 E CB -0.544 29.235 29.700 0.131 0.000 0.755 289 E HN 0.630 nan 8.360 nan 0.000 0.453 290 I N 1.083 121.762 120.570 0.182 0.000 2.454 290 I HA -0.219 3.951 4.170 -0.000 0.000 0.254 290 I C 2.246 178.545 176.117 0.303 0.000 1.156 290 I CA 0.605 62.022 61.300 0.194 0.000 1.433 290 I CB -0.252 37.803 38.000 0.091 0.000 1.082 290 I HN 0.035 nan 8.210 nan 0.000 0.432 291 L N -0.089 121.308 121.223 0.290 0.000 2.187 291 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 291 L C 2.519 179.538 176.870 0.247 0.000 1.100 291 L CA 0.854 55.898 54.840 0.339 0.000 0.765 291 L CB -0.573 41.629 42.059 0.238 0.000 0.904 291 L HN 0.120 nan 8.230 nan 0.000 0.437 292 V N 0.616 120.665 119.914 0.224 0.000 2.223 292 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 292 V C -0.074 176.101 176.094 0.135 0.000 1.045 292 V CA 2.186 64.579 62.300 0.155 0.000 1.000 292 V CB -1.842 30.124 31.823 0.238 0.000 0.635 292 V HN 0.368 nan 8.190 nan 0.000 0.445 293 P HA -0.213 nan 4.420 nan 0.000 0.218 293 P C 1.799 179.348 177.300 0.416 0.000 1.149 293 P CA 1.733 65.086 63.100 0.422 0.000 0.817 293 P CB -0.164 31.962 31.700 0.710 0.000 0.785 294 F N 0.555 120.688 119.950 0.306 0.000 2.051 294 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 294 F C 2.169 178.015 175.800 0.076 0.000 1.122 294 F CA 1.357 59.519 58.000 0.269 0.000 1.201 294 F CB -0.307 38.895 39.000 0.337 0.000 0.978 294 F HN -0.287 nan 8.300 nan 0.000 0.472 295 M N 0.392 119.821 119.600 -0.286 0.000 2.236 295 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 295 M C 1.916 177.987 176.300 -0.382 0.000 1.070 295 M CA 1.112 56.102 55.300 -0.516 0.000 1.137 295 M CB -1.014 31.289 32.600 -0.496 0.000 1.378 295 M HN 0.089 nan 8.290 nan 0.000 0.426 296 K N 0.248 120.402 120.400 -0.410 0.000 2.026 296 K HA -0.071 4.248 4.320 -0.000 0.000 0.208 296 K C 1.648 177.832 176.600 -0.693 0.000 1.048 296 K CA 1.435 57.331 56.287 -0.651 0.000 0.929 296 K CB -0.426 31.460 32.500 -1.023 0.000 0.713 296 K HN 0.303 nan 8.250 nan 0.000 0.439 297 F N 0.416 120.268 119.950 -0.164 0.000 2.695 297 F HA 0.211 4.738 4.527 -0.000 0.000 0.303 297 F C 0.769 176.510 175.800 -0.097 0.000 1.091 297 F CA -0.400 57.517 58.000 -0.139 0.000 1.300 297 F CB -0.070 38.839 39.000 -0.153 0.000 1.071 297 F HN -0.185 nan 8.300 nan 0.000 0.578 298 S N 1.199 116.896 115.700 -0.005 0.000 3.711 298 S HA -0.306 4.164 4.470 -0.000 0.000 0.374 298 S C 0.159 174.819 174.600 0.101 0.000 0.969 298 S CA 0.142 58.333 58.200 -0.015 0.000 1.198 298 S CB -2.023 61.152 63.200 -0.042 0.000 0.903 298 S HN 0.618 nan 8.310 nan 0.000 0.493 299 N N 1.290 120.107 118.700 0.194 0.000 2.416 299 N HA 0.238 4.978 4.740 -0.000 0.000 0.265 299 N C 1.186 176.854 175.510 0.263 0.000 1.195 299 N CA -0.329 52.804 53.050 0.139 0.000 0.943 299 N CB 0.366 38.751 38.487 -0.171 0.000 1.115 299 N HN 0.354 nan 8.380 nan 0.000 0.481 300 N N 2.713 121.530 118.700 0.194 0.000 2.106 300 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 300 N C 1.799 177.472 175.510 0.272 0.000 1.029 300 N CA 1.194 54.383 53.050 0.231 0.000 0.848 300 N CB -0.549 38.023 38.487 0.141 0.000 1.007 300 N HN 0.692 nan 8.380 nan 0.000 0.423 301 G N 0.710 109.647 108.800 0.228 0.000 2.440 301 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 301 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 301 G C 1.261 176.309 174.900 0.246 0.000 1.154 301 G CA 1.023 46.278 45.100 0.258 0.000 0.767 301 G HN 0.355 nan 8.290 nan 0.000 0.552 302 H N 1.002 120.082 119.070 0.016 0.000 2.319 302 H HA 0.019 4.574 4.556 -0.000 0.000 0.299 302 H C 2.876 177.951 175.328 -0.422 0.000 1.092 302 H CA 1.167 57.061 56.048 -0.257 0.000 1.302 302 H CB -0.749 28.778 29.762 -0.392 0.000 1.373 302 H HN 0.375 nan 8.280 nan 0.000 0.497 303 A N 1.205 123.967 122.820 -0.097 0.000 1.877 303 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 303 A C 2.234 179.892 177.584 0.124 0.000 1.186 303 A CA 1.771 53.839 52.037 0.051 0.000 0.620 303 A CB -0.162 19.107 19.000 0.448 0.000 0.822 303 A HN 0.332 nan 8.150 nan 0.000 0.443 304 E N -0.296 120.040 120.200 0.226 0.000 2.150 304 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 304 E C 2.016 178.591 176.600 -0.043 0.000 0.985 304 E CA 1.059 57.610 56.400 0.252 0.000 0.814 304 E CB -0.472 29.524 29.700 0.494 0.000 0.752 304 E HN 0.728 nan 8.360 nan 0.000 0.466 305 M N 0.109 119.701 119.600 -0.014 0.000 2.175 305 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 305 M C 2.329 178.585 176.300 -0.072 0.000 1.063 305 M CA 1.018 56.309 55.300 -0.015 0.000 1.119 305 M CB -0.193 32.438 32.600 0.052 0.000 1.377 305 M HN 0.052 nan 8.290 nan 0.000 0.415 306 L N -0.682 120.481 121.223 -0.099 0.000 2.093 306 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 306 L C 2.373 179.215 176.870 -0.047 0.000 1.085 306 L CA 0.705 55.515 54.840 -0.049 0.000 0.755 306 L CB -0.559 41.448 42.059 -0.087 0.000 0.904 306 L HN 0.122 nan 8.230 nan 0.000 0.435 307 V N 0.014 119.884 119.914 -0.074 0.000 2.295 307 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 307 V C 2.402 178.342 176.094 -0.257 0.000 1.049 307 V CA 1.753 64.003 62.300 -0.084 0.000 1.024 307 V CB -0.485 31.354 31.823 0.025 0.000 0.648 307 V HN 0.432 nan 8.190 nan 0.000 0.447 308 K N -0.156 119.916 120.400 -0.546 0.000 2.211 308 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 308 K C 2.361 178.628 176.600 -0.555 0.000 1.050 308 K CA 1.387 57.144 56.287 -0.883 0.000 0.945 308 K CB -0.210 31.173 32.500 -1.862 0.000 0.732 308 K HN 0.361 nan 8.250 nan 0.000 0.451 309 S N 1.366 116.967 115.700 -0.165 0.000 2.387 309 S HA -0.018 4.452 4.470 -0.000 0.000 0.226 309 S C 1.920 176.551 174.600 0.052 0.000 1.026 309 S CA 0.764 59.099 58.200 0.226 0.000 0.972 309 S CB -0.096 63.377 63.200 0.454 0.000 0.814 309 S HN 0.202 nan 8.310 nan 0.000 0.477 310 I N 1.443 121.995 120.570 -0.030 0.000 2.286 310 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 310 I C 2.614 178.686 176.117 -0.076 0.000 1.115 310 I CA 1.090 62.363 61.300 -0.046 0.000 1.392 310 I CB -0.690 37.289 38.000 -0.034 0.000 1.065 310 I HN 0.363 nan 8.210 nan 0.000 0.418 311 G N -0.240 108.480 108.800 -0.133 0.000 2.418 311 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 311 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 311 G C 1.605 176.406 174.900 -0.165 0.000 1.158 311 G CA 0.298 45.305 45.100 -0.155 0.000 0.771 311 G HN 0.260 nan 8.290 nan 0.000 0.545 312 Q N 0.004 119.684 119.800 -0.200 0.000 2.046 312 Q HA -0.094 4.245 4.340 -0.000 0.000 0.200 312 Q C 2.471 178.399 176.000 -0.120 0.000 0.975 312 Q CA 1.618 57.260 55.803 -0.269 0.000 0.836 312 Q CB -0.236 28.230 28.738 -0.453 0.000 0.896 312 Q HN 0.581 nan 8.270 nan 0.000 0.428 313 E N -0.041 120.139 120.200 -0.032 0.000 2.106 313 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 313 E C 1.776 178.366 176.600 -0.017 0.000 0.984 313 E CA 1.882 58.285 56.400 0.005 0.000 0.806 313 E CB -0.052 29.645 29.700 -0.005 0.000 0.750 313 E HN 0.422 nan 8.360 nan 0.000 0.458 314 T N -3.311 111.221 114.554 -0.037 0.000 3.044 314 T HA 0.315 4.665 4.350 -0.000 0.000 0.255 314 T C 1.339 176.016 174.700 -0.039 0.000 1.073 314 T CA 0.542 62.623 62.100 -0.031 0.000 1.125 314 T CB 0.399 69.249 68.868 -0.030 0.000 0.908 314 T HN 0.136 nan 8.240 nan 0.000 0.480 315 A N -0.147 122.636 122.820 -0.062 0.000 2.704 315 A HA 0.700 5.020 4.320 -0.000 0.000 0.260 315 A C 1.513 179.044 177.584 -0.088 0.000 1.144 315 A CA 0.317 52.315 52.037 -0.065 0.000 0.985 315 A CB -0.297 18.664 19.000 -0.064 0.000 1.256 315 A HN 1.267 nan 8.150 nan 0.000 0.598 316 G N -0.649 108.082 108.800 -0.116 0.000 2.225 316 G HA2 0.161 4.121 3.960 -0.000 0.000 0.267 316 G HA3 0.161 4.121 3.960 -0.000 0.000 0.267 316 G C 0.293 175.069 174.900 -0.206 0.000 1.024 316 G CA 0.494 45.498 45.100 -0.160 0.000 0.784 316 G HN 1.983 nan 8.290 nan 0.000 0.507 317 A N -0.361 122.329 122.820 -0.215 0.000 2.411 317 A HA 0.772 5.091 4.320 -0.000 0.000 0.285 317 A C 0.490 177.914 177.584 -0.266 0.000 1.129 317 A CA 0.452 52.362 52.037 -0.212 0.000 0.736 317 A CB 1.229 20.143 19.000 -0.144 0.000 1.186 317 A HN 1.682 nan 8.150 nan 0.000 0.445 318 G N 2.592 111.204 108.800 -0.313 0.000 3.101 318 G HA2 0.459 4.418 3.960 -0.000 0.000 0.272 318 G HA3 0.459 4.418 3.960 -0.000 0.000 0.272 318 G C 0.290 174.921 174.900 -0.448 0.000 0.801 318 G CA 0.622 45.487 45.100 -0.391 0.000 1.978 318 G HN 1.145 nan 8.290 nan 0.000 0.591 319 T N -3.009 111.307 114.554 -0.396 0.000 2.901 319 T HA 0.367 4.717 4.350 -0.000 0.000 0.293 319 T C 0.588 175.105 174.700 -0.304 0.000 1.084 319 T CA -0.933 60.962 62.100 -0.343 0.000 1.008 319 T CB 1.686 70.456 68.868 -0.162 0.000 1.170 319 T HN 0.204 nan 8.240 nan 0.000 0.509 320 W N 0.891 122.074 121.300 -0.194 0.000 2.379 320 W HA -0.027 4.633 4.660 -0.000 0.000 0.307 320 W C 1.569 178.010 176.519 -0.130 0.000 1.200 320 W CA 1.389 58.633 57.345 -0.168 0.000 1.297 320 W CB -0.695 28.663 29.460 -0.170 0.000 1.140 320 W HN 0.795 nan 8.180 nan 0.000 0.507 321 D N -0.011 120.455 120.400 0.109 0.000 2.106 321 D HA -0.174 4.466 4.640 -0.000 0.000 0.191 321 D C 2.217 178.516 176.300 -0.002 0.000 0.997 321 D CA 2.261 56.282 54.000 0.036 0.000 0.834 321 D CB -0.891 39.915 40.800 0.010 0.000 0.956 321 D HN 0.027 nan 8.370 nan 0.000 0.448 322 A N 0.763 123.560 122.820 -0.039 0.000 1.898 322 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 322 A C 2.388 179.937 177.584 -0.059 0.000 1.181 322 A CA 2.133 54.135 52.037 -0.059 0.000 0.620 322 A CB -1.058 17.887 19.000 -0.093 0.000 0.819 322 A HN 0.310 nan 8.150 nan 0.000 0.442 323 G N -0.256 108.495 108.800 -0.080 0.000 2.421 323 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 323 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 323 G C 1.345 176.243 174.900 -0.004 0.000 1.171 323 G CA 1.041 46.098 45.100 -0.072 0.000 0.775 323 G HN 0.322 nan 8.290 nan 0.000 0.543 324 L N 0.691 121.936 121.223 0.037 0.000 2.141 324 L HA -0.000 4.340 4.340 -0.000 0.000 0.209 324 L C 3.122 180.003 176.870 0.018 0.000 1.094 324 L CA 0.806 55.673 54.840 0.045 0.000 0.763 324 L CB -1.092 40.997 42.059 0.050 0.000 0.908 324 L HN 0.109 nan 8.230 nan 0.000 0.437 325 V N 0.017 119.934 119.914 0.004 0.000 2.358 325 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 325 V C 2.622 178.717 176.094 0.001 0.000 1.047 325 V CA 1.743 64.041 62.300 -0.002 0.000 1.035 325 V CB -1.120 30.697 31.823 -0.011 0.000 0.658 325 V HN 0.532 nan 8.190 nan 0.000 0.452 326 G N -0.372 108.426 108.800 -0.004 0.000 2.422 326 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 326 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 326 G C 1.662 176.572 174.900 0.018 0.000 1.146 326 G CA 1.191 46.290 45.100 -0.001 0.000 0.769 326 G HN 0.384 nan 8.290 nan 0.000 0.547 327 V N 0.631 120.563 119.914 0.030 0.000 2.295 327 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 327 V C 2.747 178.878 176.094 0.062 0.000 1.049 327 V CA 2.053 64.389 62.300 0.059 0.000 1.024 327 V CB -0.209 31.661 31.823 0.079 0.000 0.648 327 V HN 0.391 nan 8.190 nan 0.000 0.447 328 E N 0.615 120.838 120.200 0.038 0.000 2.058 328 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 328 E C 2.180 178.802 176.600 0.038 0.000 0.997 328 E CA 1.851 58.270 56.400 0.031 0.000 0.801 328 E CB -0.137 29.567 29.700 0.007 0.000 0.746 328 E HN 0.721 nan 8.360 nan 0.000 0.450 329 E N 0.034 120.251 120.200 0.028 0.000 2.110 329 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 329 E C 2.018 178.641 176.600 0.038 0.000 0.988 329 E CA 0.916 57.332 56.400 0.027 0.000 0.804 329 E CB -0.128 29.582 29.700 0.016 0.000 0.745 329 E HN 0.309 nan 8.360 nan 0.000 0.458 330 A N 1.161 124.009 122.820 0.045 0.000 1.930 330 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 330 A C 2.178 179.808 177.584 0.076 0.000 1.175 330 A CA 0.886 52.957 52.037 0.057 0.000 0.627 330 A CB -0.488 18.544 19.000 0.052 0.000 0.815 330 A HN 0.111 nan 8.150 nan 0.000 0.443 331 L N 0.326 121.603 121.223 0.090 0.000 2.027 331 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 331 L C 3.077 179.999 176.870 0.086 0.000 1.074 331 L CA 1.629 56.538 54.840 0.114 0.000 0.745 331 L CB -0.522 41.635 42.059 0.163 0.000 0.898 331 L HN 0.604 nan 8.230 nan 0.000 0.433 332 S N -0.179 115.560 115.700 0.065 0.000 2.383 332 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 332 S C 2.077 176.701 174.600 0.040 0.000 1.026 332 S CA 0.954 59.183 58.200 0.048 0.000 0.981 332 S CB -1.134 62.086 63.200 0.035 0.000 0.818 332 S HN 0.423 nan 8.310 nan 0.000 0.472 333 G N 1.132 109.957 108.800 0.042 0.000 2.470 333 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 333 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 333 G C 1.239 176.161 174.900 0.036 0.000 1.121 333 G CA 0.781 45.903 45.100 0.036 0.000 0.766 333 G HN 0.496 nan 8.290 nan 0.000 0.553 334 L N 0.377 121.629 121.223 0.048 0.000 2.591 334 L HA 0.376 4.716 4.340 -0.000 0.000 0.228 334 L C 1.878 178.757 176.870 0.014 0.000 1.133 334 L CA 1.154 56.016 54.840 0.037 0.000 0.880 334 L CB -0.035 42.064 42.059 0.067 0.000 1.033 334 L HN 0.357 nan 8.230 nan 0.000 0.450 335 G N -1.177 107.637 108.800 0.022 0.000 2.157 335 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 335 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 335 G C 0.176 175.093 174.900 0.029 0.000 0.982 335 G CA 0.126 45.236 45.100 0.017 0.000 0.650 335 G HN 0.181 nan 8.290 nan 0.000 0.527 336 V N 1.596 121.539 119.914 0.048 0.000 2.498 336 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 336 V C 0.438 176.575 176.094 0.071 0.000 1.048 336 V CA -0.637 61.706 62.300 0.071 0.000 0.967 336 V CB 1.741 33.632 31.823 0.113 0.000 0.988 336 V HN 0.342 nan 8.190 nan 0.000 0.473 337 D N 3.876 124.315 120.400 0.065 0.000 2.338 337 D HA 0.037 4.677 4.640 -0.000 0.000 0.255 337 D C 1.150 177.485 176.300 0.058 0.000 1.237 337 D CA 0.053 54.084 54.000 0.051 0.000 0.883 337 D CB 1.453 42.278 40.800 0.041 0.000 1.087 337 D HN 0.756 nan 8.370 nan 0.000 0.485 338 T N 0.865 115.445 114.554 0.042 0.000 3.188 338 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 338 T C 1.638 176.336 174.700 -0.004 0.000 1.077 338 T CA 0.180 62.293 62.100 0.022 0.000 0.967 338 T CB 0.370 69.247 68.868 0.015 0.000 1.006 338 T HN 0.260 nan 8.240 nan 0.000 0.552 339 A N 1.781 124.605 122.820 0.005 0.000 1.940 339 A HA 0.207 4.527 4.320 -0.000 0.000 0.219 339 A C 2.417 179.993 177.584 -0.013 0.000 1.176 339 A CA 1.389 53.424 52.037 -0.003 0.000 0.631 339 A CB -1.269 17.733 19.000 0.004 0.000 0.814 339 A HN 0.630 nan 8.150 nan 0.000 0.446 340 G N -1.279 107.515 108.800 -0.010 0.000 3.088 340 G HA2 0.393 4.352 3.960 -0.000 0.000 0.212 340 G HA3 0.393 4.352 3.960 -0.000 0.000 0.212 340 G C 0.341 175.209 174.900 -0.053 0.000 1.173 340 G CA -0.291 44.798 45.100 -0.019 0.000 0.779 340 G HN 0.366 nan 8.290 nan 0.000 0.540 341 L N 0.972 122.146 121.223 -0.081 0.000 2.307 341 L HA 0.507 4.847 4.340 -0.000 0.000 0.282 341 L C -0.680 176.117 176.870 -0.122 0.000 1.051 341 L CA -0.743 54.004 54.840 -0.155 0.000 0.804 341 L CB 2.274 44.193 42.059 -0.234 0.000 1.197 341 L HN -0.216 nan 8.230 nan 0.000 0.431 342 V N 4.806 124.639 119.914 -0.134 0.000 2.419 342 V HA 0.287 4.407 4.120 -0.000 0.000 0.287 342 V C -0.459 175.567 176.094 -0.112 0.000 1.017 342 V CA -0.471 61.770 62.300 -0.098 0.000 0.844 342 V CB 1.659 33.438 31.823 -0.073 0.000 1.011 342 V HN 0.405 nan 8.190 nan 0.000 0.429 343 L N 4.279 125.442 121.223 -0.099 0.000 2.257 343 L HA 0.506 4.846 4.340 -0.000 0.000 0.290 343 L C 0.939 177.767 176.870 -0.070 0.000 1.044 343 L CA 0.414 55.204 54.840 -0.084 0.000 0.810 343 L CB 0.798 42.820 42.059 -0.062 0.000 1.193 343 L HN 0.525 nan 8.230 nan 0.000 0.425 344 N N 0.754 119.406 118.700 -0.078 0.000 2.332 344 N HA 0.051 4.791 4.740 -0.000 0.000 0.190 344 N C -0.601 174.795 175.510 -0.191 0.000 1.117 344 N CA 0.289 53.264 53.050 -0.126 0.000 0.883 344 N CB 0.724 39.136 38.487 -0.124 0.000 1.089 344 N HN 0.797 nan 8.380 nan 0.000 0.480 345 D N -3.380 116.970 120.400 -0.084 0.000 2.692 345 D HA 0.317 4.957 4.640 -0.000 0.000 0.303 345 D C 0.596 176.978 176.300 0.138 0.000 1.278 345 D CA -0.578 53.400 54.000 -0.037 0.000 0.852 345 D CB 0.439 41.225 40.800 -0.024 0.000 1.375 345 D HN -0.098 nan 8.370 nan 0.000 0.453 346 G N -1.230 107.728 108.800 0.265 0.000 2.833 346 G HA2 0.058 4.018 3.960 -0.000 0.000 0.210 346 G HA3 0.058 4.018 3.960 -0.000 0.000 0.210 346 G C 1.092 176.169 174.900 0.295 0.000 1.139 346 G CA 0.732 45.995 45.100 0.271 0.000 0.771 346 G HN 0.574 nan 8.290 nan 0.000 0.535 347 S N -0.618 115.269 115.700 0.310 0.000 2.425 347 S HA 0.348 4.818 4.470 -0.000 0.000 0.225 347 S C 1.928 176.627 174.600 0.165 0.000 1.024 347 S CA 1.286 59.650 58.200 0.274 0.000 0.951 347 S CB -0.037 63.329 63.200 0.277 0.000 0.796 347 S HN 1.425 nan 8.310 nan 0.000 0.498 348 G N 0.841 109.723 108.800 0.138 0.000 2.176 348 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 348 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 348 G C 0.483 175.376 174.900 -0.012 0.000 0.986 348 G CA 0.282 45.419 45.100 0.060 0.000 0.643 348 G HN 0.457 nan 8.290 nan 0.000 0.522 349 L N 0.892 122.100 121.223 -0.026 0.000 2.056 349 L HA 0.161 4.501 4.340 -0.000 0.000 0.207 349 L C 1.978 178.726 176.870 -0.204 0.000 1.078 349 L CA 1.604 56.309 54.840 -0.225 0.000 0.749 349 L CB -0.405 41.319 42.059 -0.558 0.000 0.901 349 L HN 0.428 nan 8.230 nan 0.000 0.433 350 S N 0.050 115.784 115.700 0.057 0.000 2.537 350 S HA -0.026 4.443 4.470 -0.000 0.000 0.286 350 S C 1.088 175.643 174.600 -0.074 0.000 1.299 350 S CA -0.213 58.035 58.200 0.080 0.000 1.067 350 S CB 0.470 63.749 63.200 0.132 0.000 0.864 350 S HN 0.278 nan 8.310 nan 0.000 0.494 351 R N 3.286 123.697 120.500 -0.147 0.000 2.319 351 R HA 0.080 4.420 4.340 -0.000 0.000 0.204 351 R C 1.729 177.984 176.300 -0.074 0.000 0.954 351 R CA 0.509 56.527 56.100 -0.136 0.000 1.066 351 R CB -0.219 29.970 30.300 -0.184 0.000 0.991 351 R HN 0.762 nan 8.270 nan 0.000 0.486 352 G N 0.049 108.811 108.800 -0.064 0.000 2.939 352 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.210 352 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.210 352 G C 0.372 175.237 174.900 -0.058 0.000 1.160 352 G CA -0.296 44.770 45.100 -0.057 0.000 0.770 352 G HN 0.138 nan 8.290 nan 0.000 0.543 353 N N 0.401 119.068 118.700 -0.055 0.000 2.513 353 N HA 0.526 5.266 4.740 -0.000 0.000 0.274 353 N C -0.762 174.714 175.510 -0.057 0.000 1.189 353 N CA 0.180 53.194 53.050 -0.059 0.000 0.975 353 N CB 1.854 40.314 38.487 -0.045 0.000 1.157 353 N HN 0.009 nan 8.380 nan 0.000 0.465 354 L N 0.683 121.861 121.223 -0.076 0.000 2.472 354 L HA 0.576 4.916 4.340 -0.000 0.000 0.260 354 L C -0.405 176.405 176.870 -0.101 0.000 0.963 354 L CA -0.896 53.905 54.840 -0.065 0.000 0.829 354 L CB 2.161 44.189 42.059 -0.052 0.000 1.348 354 L HN 0.306 nan 8.230 nan 0.000 0.408 355 V N -1.105 118.772 119.914 -0.061 0.000 3.181 355 V HA 0.909 5.029 4.120 -0.000 0.000 0.307 355 V C -0.692 175.409 176.094 0.011 0.000 1.310 355 V CA -0.510 61.755 62.300 -0.058 0.000 1.067 355 V CB 2.175 33.992 31.823 -0.011 0.000 1.081 355 V HN 0.820 nan 8.190 nan 0.000 0.453 356 T N -1.952 112.632 114.554 0.050 0.000 2.900 356 T HA 0.780 5.130 4.350 -0.000 0.000 0.295 356 T C 0.888 175.643 174.700 0.092 0.000 1.044 356 T CA 0.002 62.137 62.100 0.059 0.000 0.995 356 T CB 1.705 70.601 68.868 0.046 0.000 1.072 356 T HN 1.919 nan 8.240 nan 0.000 0.473 357 A N 1.534 124.401 122.820 0.079 0.000 1.978 357 A HA -0.063 4.256 4.320 -0.000 0.000 0.220 357 A C 1.903 179.537 177.584 0.083 0.000 1.170 357 A CA 1.709 53.796 52.037 0.083 0.000 0.636 357 A CB -0.880 18.168 19.000 0.080 0.000 0.810 357 A HN 0.907 nan 8.150 nan 0.000 0.448 358 D N -0.670 119.776 120.400 0.077 0.000 2.144 358 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 358 D C 1.916 178.269 176.300 0.089 0.000 0.978 358 D CA 1.773 55.816 54.000 0.071 0.000 0.833 358 D CB -0.433 40.401 40.800 0.056 0.000 0.961 358 D HN 0.419 nan 8.370 nan 0.000 0.470 359 T N 0.495 115.122 114.554 0.121 0.000 2.821 359 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 359 T C 2.273 177.115 174.700 0.237 0.000 1.046 359 T CA 0.437 62.648 62.100 0.185 0.000 1.139 359 T CB -0.116 68.877 68.868 0.208 0.000 0.871 359 T HN -0.026 nan 8.240 nan 0.000 0.454 360 V N 1.321 121.362 119.914 0.210 0.000 2.307 360 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 360 V C 2.678 178.749 176.094 -0.037 0.000 1.045 360 V CA 1.282 63.623 62.300 0.068 0.000 1.024 360 V CB -0.678 31.173 31.823 0.048 0.000 0.651 360 V HN 0.312 nan 8.190 nan 0.000 0.449 361 V N 0.476 120.392 119.914 0.004 0.000 2.407 361 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 361 V C 2.379 178.486 176.094 0.022 0.000 1.055 361 V CA 2.247 64.546 62.300 -0.002 0.000 1.049 361 V CB -0.707 31.137 31.823 0.035 0.000 0.662 361 V HN 0.613 nan 8.190 nan 0.000 0.455 362 D N 0.166 120.592 120.400 0.043 0.000 2.104 362 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 362 D C 1.989 178.305 176.300 0.026 0.000 0.994 362 D CA 1.463 55.491 54.000 0.046 0.000 0.830 362 D CB -0.175 40.666 40.800 0.068 0.000 0.959 362 D HN 0.315 nan 8.370 nan 0.000 0.452 363 L N 0.340 121.565 121.223 0.003 0.000 2.017 363 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 363 L C 2.308 179.154 176.870 -0.040 0.000 1.073 363 L CA 1.492 56.296 54.840 -0.061 0.000 0.745 363 L CB -0.776 41.138 42.059 -0.242 0.000 0.894 363 L HN 0.138 nan 8.230 nan 0.000 0.432 364 L N -0.459 120.761 121.223 -0.004 0.000 2.079 364 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 364 L C 2.482 179.501 176.870 0.248 0.000 1.081 364 L CA 1.349 56.263 54.840 0.122 0.000 0.752 364 L CB -1.349 40.644 42.059 -0.109 0.000 0.896 364 L HN 0.512 nan 8.230 nan 0.000 0.433 365 G N -1.324 107.550 108.800 0.124 0.000 2.414 365 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 365 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 365 G C 1.490 176.398 174.900 0.014 0.000 1.188 365 G CA 0.115 45.275 45.100 0.099 0.000 0.783 365 G HN 0.235 nan 8.290 nan 0.000 0.537 366 Q N 0.689 120.472 119.800 -0.029 0.000 2.050 366 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 366 Q C 2.999 178.867 176.000 -0.219 0.000 0.980 366 Q CA 1.505 57.249 55.803 -0.098 0.000 0.840 366 Q CB -0.906 27.790 28.738 -0.069 0.000 0.898 366 Q HN 0.420 nan 8.270 nan 0.000 0.424 367 A N 0.987 123.663 122.820 -0.241 0.000 1.908 367 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 367 A C 2.349 179.643 177.584 -0.484 0.000 1.181 367 A CA 1.877 53.603 52.037 -0.519 0.000 0.627 367 A CB -1.199 17.353 19.000 -0.748 0.000 0.818 367 A HN 0.469 nan 8.150 nan 0.000 0.445 368 G N -0.636 108.080 108.800 -0.140 0.000 2.535 368 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.218 368 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.218 368 G C 1.510 176.284 174.900 -0.210 0.000 1.122 368 G CA 1.593 46.609 45.100 -0.139 0.000 0.769 368 G HN 0.947 nan 8.290 nan 0.000 0.549 369 S N -1.074 114.472 115.700 -0.258 0.000 2.559 369 S HA 0.656 5.126 4.470 -0.000 0.000 0.226 369 S C 1.125 175.511 174.600 -0.356 0.000 1.000 369 S CA 0.382 58.437 58.200 -0.241 0.000 0.948 369 S CB 0.497 63.598 63.200 -0.164 0.000 0.870 369 S HN 0.499 nan 8.310 nan 0.000 0.497 370 A N 2.723 125.178 122.820 -0.608 0.000 2.346 370 A HA 0.571 4.891 4.320 -0.000 0.000 0.252 370 A C -1.146 175.973 177.584 -0.775 0.000 1.089 370 A CA -1.288 50.218 52.037 -0.885 0.000 0.797 370 A CB -0.271 17.646 19.000 -1.806 0.000 1.047 370 A HN 0.221 nan 8.150 nan 0.000 0.494 371 P HA -0.134 nan 4.420 nan 0.000 0.216 371 P C 0.852 178.026 177.300 -0.209 0.000 1.150 371 P CA 1.649 64.556 63.100 -0.321 0.000 0.843 371 P CB -0.006 31.596 31.700 -0.163 0.000 0.787 372 W N -2.354 118.945 121.300 -0.003 0.000 3.325 372 W HA 0.619 5.278 4.660 -0.000 0.000 0.370 372 W C 1.071 177.636 176.519 0.077 0.000 1.169 372 W CA 0.049 57.420 57.345 0.043 0.000 1.874 372 W CB -1.265 28.230 29.460 0.060 0.000 1.076 372 W HN -0.117 nan 8.180 nan 0.000 0.684 373 A N 1.447 124.239 122.820 -0.047 0.000 1.948 373 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 373 A C 2.287 180.038 177.584 0.279 0.000 1.177 373 A CA 2.075 54.152 52.037 0.066 0.000 0.636 373 A CB -0.689 18.223 19.000 -0.145 0.000 0.815 373 A HN 0.284 nan 8.150 nan 0.000 0.449 374 Q N -0.038 119.874 119.800 0.188 0.000 2.016 374 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 374 Q C 2.297 178.427 176.000 0.217 0.000 0.978 374 Q CA 2.740 58.641 55.803 0.164 0.000 0.833 374 Q CB -0.752 28.049 28.738 0.106 0.000 0.895 374 Q HN 0.759 nan 8.270 nan 0.000 0.427 375 T N -1.760 112.955 114.554 0.269 0.000 2.951 375 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 375 T C 1.629 176.511 174.700 0.302 0.000 1.073 375 T CA 0.924 63.173 62.100 0.248 0.000 1.134 375 T CB -0.708 68.302 68.868 0.235 0.000 0.884 375 T HN 0.526 nan 8.240 nan 0.000 0.479 376 W N 3.221 124.659 121.300 0.231 0.000 2.378 376 W HA -0.150 4.510 4.660 -0.000 0.000 0.313 376 W C 2.230 178.851 176.519 0.170 0.000 1.197 376 W CA 1.709 59.190 57.345 0.226 0.000 1.304 376 W CB -0.859 28.879 29.460 0.463 0.000 1.148 376 W HN 0.473 nan 8.180 nan 0.000 0.494 377 S N 1.537 117.355 115.700 0.197 0.000 2.383 377 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 377 S C 2.160 176.739 174.600 -0.035 0.000 1.026 377 S CA 1.452 59.655 58.200 0.004 0.000 0.981 377 S CB -1.028 62.243 63.200 0.119 0.000 0.818 377 S HN 0.292 nan 8.310 nan 0.000 0.472 378 A N 2.088 124.927 122.820 0.032 0.000 2.019 378 A HA 0.003 4.322 4.320 -0.000 0.000 0.219 378 A C 2.456 180.024 177.584 -0.026 0.000 1.164 378 A CA 1.730 53.779 52.037 0.020 0.000 0.644 378 A CB -1.062 17.977 19.000 0.064 0.000 0.805 378 A HN 0.843 nan 8.150 nan 0.000 0.449 379 S N -0.479 115.183 115.700 -0.064 0.000 2.461 379 S HA 0.159 4.629 4.470 -0.000 0.000 0.228 379 S C 0.708 175.177 174.600 -0.218 0.000 1.005 379 S CA -0.146 57.988 58.200 -0.110 0.000 0.942 379 S CB -0.661 62.482 63.200 -0.095 0.000 0.776 379 S HN 0.397 nan 8.310 nan 0.000 0.514 380 L N 2.244 123.310 121.223 -0.262 0.000 2.456 380 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 380 L C -2.432 174.313 176.870 -0.208 0.000 1.189 380 L CA -2.090 52.579 54.840 -0.285 0.000 0.846 380 L CB -0.177 41.705 42.059 -0.296 0.000 1.111 380 L HN 0.004 nan 8.230 nan 0.000 0.475 381 P HA 0.011 nan 4.420 nan 0.000 0.266 381 P C -0.813 176.419 177.300 -0.114 0.000 1.195 381 P CA -0.039 62.952 63.100 -0.182 0.000 0.768 381 P CB 0.669 32.259 31.700 -0.184 0.000 0.838 382 V N 3.260 123.123 119.914 -0.086 0.000 2.370 382 V HA 0.440 4.559 4.120 -0.000 0.000 0.283 382 V C 0.560 176.630 176.094 -0.040 0.000 1.023 382 V CA -1.007 61.264 62.300 -0.048 0.000 0.857 382 V CB 0.867 32.669 31.823 -0.034 0.000 0.985 382 V HN 0.668 nan 8.190 nan 0.000 0.443 383 A N 4.061 126.864 122.820 -0.029 0.000 2.584 383 A HA 0.445 4.764 4.320 -0.000 0.000 0.239 383 A C 1.640 179.209 177.584 -0.025 0.000 1.043 383 A CA 0.836 52.857 52.037 -0.026 0.000 0.756 383 A CB -0.577 18.410 19.000 -0.021 0.000 0.963 383 A HN 2.239 nan 8.150 nan 0.000 0.511 384 G N 1.338 110.125 108.800 -0.022 0.000 2.189 384 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.267 384 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.267 384 G C 0.103 174.998 174.900 -0.007 0.000 0.975 384 G CA 0.524 45.615 45.100 -0.015 0.000 0.644 384 G HN 0.856 nan 8.290 nan 0.000 0.537 385 E N 1.037 121.232 120.200 -0.008 0.000 2.217 385 E HA 0.359 4.709 4.350 -0.000 0.000 0.279 385 E C 1.639 178.248 176.600 0.016 0.000 1.068 385 E CA 0.494 56.896 56.400 0.004 0.000 0.882 385 E CB 1.163 30.865 29.700 0.003 0.000 1.039 385 E HN 0.493 nan 8.360 nan 0.000 0.418 386 S N 1.840 117.555 115.700 0.024 0.000 2.423 386 S HA -0.150 4.319 4.470 -0.000 0.000 0.231 386 S C 0.781 175.417 174.600 0.060 0.000 1.014 386 S CA 0.350 58.571 58.200 0.036 0.000 0.965 386 S CB 0.108 63.327 63.200 0.031 0.000 0.785 386 S HN 0.433 nan 8.310 nan 0.000 0.495 387 D N 3.379 123.820 120.400 0.067 0.000 2.363 387 D HA 0.180 4.820 4.640 -0.000 0.000 0.263 387 D C -1.587 174.799 176.300 0.144 0.000 1.258 387 D CA -1.933 52.132 54.000 0.108 0.000 0.907 387 D CB 1.279 42.139 40.800 0.101 0.000 1.107 387 D HN 0.041 nan 8.370 nan 0.000 0.495 388 P HA -0.186 nan 4.420 nan 0.000 0.217 388 P C 1.056 178.474 177.300 0.196 0.000 1.162 388 P CA 1.202 64.472 63.100 0.282 0.000 0.901 388 P CB -0.038 31.893 31.700 0.386 0.000 0.793 389 F N -2.016 118.041 119.950 0.177 0.000 2.771 389 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 389 F C 1.861 177.624 175.800 -0.062 0.000 1.177 389 F CA 0.651 58.682 58.000 0.053 0.000 1.450 389 F CB -0.437 38.642 39.000 0.132 0.000 1.114 389 F HN -0.197 nan 8.300 nan 0.000 0.587 390 V N -1.956 118.000 119.914 0.069 0.000 2.948 390 V HA 0.179 4.299 4.120 -0.000 0.000 0.234 390 V C 2.398 178.457 176.094 -0.059 0.000 1.205 390 V CA 1.153 63.459 62.300 0.011 0.000 1.234 390 V CB -0.724 31.126 31.823 0.046 0.000 1.020 390 V HN 0.210 nan 8.190 nan 0.000 0.491 391 G N -0.345 108.430 108.800 -0.041 0.000 2.421 391 G HA2 0.308 4.268 3.960 -0.000 0.000 0.217 391 G HA3 0.308 4.268 3.960 -0.000 0.000 0.217 391 G C 1.149 175.977 174.900 -0.121 0.000 1.143 391 G CA 1.195 46.261 45.100 -0.058 0.000 0.784 391 G HN 0.930 nan 8.290 nan 0.000 0.541 392 G N -0.089 108.594 108.800 -0.195 0.000 2.596 392 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 392 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 392 G C 1.329 176.158 174.900 -0.117 0.000 1.240 392 G CA 1.995 46.897 45.100 -0.330 0.000 0.985 392 G HN 1.224 nan 8.290 nan 0.000 0.555 393 T N -0.516 113.965 114.554 -0.122 0.000 3.163 393 T HA 0.363 4.713 4.350 -0.000 0.000 0.260 393 T C 1.916 176.585 174.700 -0.052 0.000 1.156 393 T CA 1.527 63.596 62.100 -0.052 0.000 1.072 393 T CB -0.004 68.826 68.868 -0.063 0.000 0.937 393 T HN 0.531 nan 8.240 nan 0.000 0.528 394 L N -0.335 120.850 121.223 -0.064 0.000 2.766 394 L HA 0.486 4.825 4.340 -0.000 0.000 0.242 394 L C 2.668 179.519 176.870 -0.031 0.000 1.136 394 L CA 0.094 54.906 54.840 -0.046 0.000 0.933 394 L CB -0.243 41.785 42.059 -0.052 0.000 1.241 394 L HN 0.284 nan 8.230 nan 0.000 0.522 395 A N 0.991 123.797 122.820 -0.023 0.000 1.958 395 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 395 A C 1.636 179.220 177.584 -0.001 0.000 1.178 395 A CA 2.110 54.144 52.037 -0.004 0.000 0.642 395 A CB -0.583 18.429 19.000 0.020 0.000 0.816 395 A HN 0.616 nan 8.150 nan 0.000 0.453 396 N N -1.396 117.303 118.700 -0.003 0.000 2.235 396 N HA 0.142 4.882 4.740 -0.000 0.000 0.209 396 N C -0.200 175.303 175.510 -0.011 0.000 1.122 396 N CA -0.201 52.847 53.050 -0.004 0.000 0.845 396 N CB 0.443 38.929 38.487 -0.001 0.000 1.004 396 N HN 0.358 nan 8.380 nan 0.000 0.499 397 R N 0.393 120.883 120.500 -0.016 0.000 2.589 397 R HA 0.418 4.758 4.340 -0.000 0.000 0.293 397 R C 0.255 176.541 176.300 -0.022 0.000 0.963 397 R CA -0.567 55.520 56.100 -0.021 0.000 0.905 397 R CB 1.287 31.572 30.300 -0.025 0.000 1.144 397 R HN 0.061 nan 8.270 nan 0.000 0.459 398 M N 0.123 119.708 119.600 -0.025 0.000 2.899 398 M HA -0.270 4.210 4.480 -0.000 0.000 0.195 398 M C -0.525 175.762 176.300 -0.022 0.000 0.603 398 M CA 1.076 56.359 55.300 -0.028 0.000 0.712 398 M CB -1.235 31.345 32.600 -0.034 0.000 2.569 398 M HN 0.568 nan 8.290 nan 0.000 0.406 399 R N 0.753 121.243 120.500 -0.017 0.000 2.537 399 R HA 0.349 4.689 4.340 -0.000 0.000 0.280 399 R C 1.391 177.684 176.300 -0.011 0.000 1.058 399 R CA 0.906 56.999 56.100 -0.012 0.000 1.057 399 R CB 0.365 30.661 30.300 -0.007 0.000 0.973 399 R HN 0.501 nan 8.270 nan 0.000 0.438 400 G N 1.386 110.181 108.800 -0.009 0.000 2.143 400 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.249 400 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.249 400 G C 0.221 175.116 174.900 -0.008 0.000 0.981 400 G CA 0.540 45.636 45.100 -0.006 0.000 0.665 400 G HN 0.753 nan 8.290 nan 0.000 0.528 401 T N -3.861 110.685 114.554 -0.012 0.000 2.927 401 T HA 0.808 5.157 4.350 -0.000 0.000 0.286 401 T C 1.506 176.200 174.700 -0.011 0.000 1.040 401 T CA 0.339 62.431 62.100 -0.014 0.000 1.010 401 T CB 1.704 70.558 68.868 -0.024 0.000 1.177 401 T HN 1.343 nan 8.240 nan 0.000 0.546 402 A N -0.047 122.771 122.820 -0.003 0.000 2.121 402 A HA 0.355 4.674 4.320 -0.000 0.000 0.218 402 A C 2.305 179.870 177.584 -0.031 0.000 1.154 402 A CA 1.354 53.400 52.037 0.014 0.000 0.679 402 A CB -1.291 17.738 19.000 0.047 0.000 0.795 402 A HN 1.196 nan 8.150 nan 0.000 0.458 403 A N -0.400 122.391 122.820 -0.047 0.000 2.132 403 A HA 0.132 4.451 4.320 -0.000 0.000 0.213 403 A C 1.003 178.543 177.584 -0.072 0.000 1.154 403 A CA 0.417 52.410 52.037 -0.073 0.000 0.753 403 A CB -0.293 18.669 19.000 -0.063 0.000 0.826 403 A HN 0.603 nan 8.150 nan 0.000 0.469 404 E N 0.045 120.214 120.200 -0.052 0.000 2.480 404 E HA 0.255 4.605 4.350 -0.000 0.000 0.258 404 E C 1.160 177.729 176.600 -0.051 0.000 0.984 404 E CA 0.588 56.964 56.400 -0.040 0.000 0.930 404 E CB -0.155 29.531 29.700 -0.024 0.000 0.936 404 E HN 0.703 nan 8.360 nan 0.000 0.466 405 G N 2.656 111.430 108.800 -0.042 0.000 2.175 405 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 405 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 405 G C 0.588 175.447 174.900 -0.068 0.000 0.979 405 G CA 0.455 45.531 45.100 -0.040 0.000 0.663 405 G HN 0.458 nan 8.290 nan 0.000 0.533 406 V N -0.528 119.324 119.914 -0.105 0.000 2.870 406 V HA 0.217 4.337 4.120 -0.000 0.000 0.232 406 V C 1.773 177.828 176.094 -0.066 0.000 1.161 406 V CA 0.798 62.999 62.300 -0.165 0.000 1.204 406 V CB 0.085 31.676 31.823 -0.386 0.000 1.003 406 V HN 0.208 nan 8.190 nan 0.000 0.499 407 V N 2.387 122.281 119.914 -0.033 0.000 2.585 407 V HA 0.073 4.193 4.120 -0.000 0.000 0.296 407 V C -0.036 176.095 176.094 0.061 0.000 1.035 407 V CA 0.329 62.667 62.300 0.062 0.000 1.084 407 V CB 0.131 32.000 31.823 0.076 0.000 0.953 407 V HN 0.564 nan 8.190 nan 0.000 0.483 408 E N 3.884 124.144 120.200 0.100 0.000 2.145 408 E HA 0.720 5.070 4.350 -0.000 0.000 0.262 408 E C -0.391 176.187 176.600 -0.037 0.000 0.883 408 E CA -0.333 56.087 56.400 0.034 0.000 0.748 408 E CB 1.843 31.593 29.700 0.083 0.000 1.140 408 E HN 0.823 nan 8.360 nan 0.000 0.417 409 A N 2.838 125.599 122.820 -0.097 0.000 2.594 409 A HA 0.600 4.920 4.320 -0.000 0.000 0.295 409 A C -1.305 176.152 177.584 -0.211 0.000 1.071 409 A CA -0.903 51.017 52.037 -0.196 0.000 0.685 409 A CB 1.683 20.635 19.000 -0.079 0.000 1.285 409 A HN 0.359 nan 8.150 nan 0.000 0.405 410 K N 0.807 121.045 120.400 -0.269 0.000 2.156 410 K HA 0.647 4.967 4.320 -0.000 0.000 0.271 410 K C 0.429 176.931 176.600 -0.164 0.000 0.995 410 K CA 0.410 56.553 56.287 -0.241 0.000 0.890 410 K CB 0.928 33.257 32.500 -0.285 0.000 1.073 410 K HN 0.914 nan 8.250 nan 0.000 0.454 411 T N -0.392 114.081 114.554 -0.135 0.000 2.893 411 T HA 0.824 5.174 4.350 -0.000 0.000 0.279 411 T C 0.114 174.766 174.700 -0.081 0.000 0.991 411 T CA -0.667 61.379 62.100 -0.091 0.000 0.950 411 T CB 1.483 70.303 68.868 -0.080 0.000 1.223 411 T HN 0.630 nan 8.240 nan 0.000 0.585 412 G N 0.288 109.051 108.800 -0.061 0.000 1.930 412 G HA2 0.461 4.421 3.960 -0.000 0.000 0.286 412 G HA3 0.461 4.421 3.960 -0.000 0.000 0.286 412 G C -0.943 173.931 174.900 -0.044 0.000 2.113 412 G CA -0.695 44.371 45.100 -0.055 0.000 0.875 412 G HN 0.821 nan 8.290 nan 0.000 0.543 413 T N 2.794 117.312 114.554 -0.060 0.000 2.916 413 T HA 0.815 5.165 4.350 -0.000 0.000 0.298 413 T C 0.224 174.880 174.700 -0.074 0.000 1.031 413 T CA -0.444 61.630 62.100 -0.042 0.000 0.993 413 T CB 1.693 70.542 68.868 -0.031 0.000 1.045 413 T HN 1.084 nan 8.240 nan 0.000 0.454 414 M N -0.656 118.915 119.600 -0.047 0.000 3.331 414 M HA 0.644 5.124 4.480 -0.000 0.000 0.281 414 M C -0.905 175.384 176.300 -0.019 0.000 1.338 414 M CA -1.105 54.152 55.300 -0.071 0.000 0.827 414 M CB 1.293 33.812 32.600 -0.134 0.000 1.674 414 M HN 0.261 nan 8.290 nan 0.000 0.477 415 S N 1.208 116.909 115.700 0.002 0.000 2.737 415 S HA 0.302 4.772 4.470 -0.000 0.000 0.315 415 S C 1.199 175.771 174.600 -0.047 0.000 1.236 415 S CA 1.341 59.552 58.200 0.018 0.000 1.093 415 S CB -0.536 62.733 63.200 0.116 0.000 0.832 415 S HN 1.375 nan 8.310 nan 0.000 0.507 416 G N 2.102 110.803 108.800 -0.164 0.000 2.180 416 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.263 416 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.263 416 G C 0.036 174.768 174.900 -0.280 0.000 0.989 416 G CA 0.351 45.196 45.100 -0.426 0.000 0.692 416 G HN 0.808 nan 8.290 nan 0.000 0.526 417 V N -0.633 119.282 119.914 0.001 0.000 2.760 417 V HA 0.862 4.982 4.120 -0.000 0.000 0.309 417 V C -0.118 176.082 176.094 0.177 0.000 1.077 417 V CA -0.077 62.303 62.300 0.132 0.000 0.910 417 V CB 2.151 33.989 31.823 0.024 0.000 1.008 417 V HN 0.799 nan 8.190 nan 0.000 0.424 418 S N 2.323 118.116 115.700 0.154 0.000 2.543 418 S HA 0.883 5.353 4.470 -0.000 0.000 0.273 418 S C -1.071 173.535 174.600 0.010 0.000 1.152 418 S CA 0.324 58.550 58.200 0.043 0.000 0.910 418 S CB 1.634 64.820 63.200 -0.024 0.000 1.105 418 S HN 1.623 nan 8.310 nan 0.000 0.465 419 A N 2.653 125.471 122.820 -0.004 0.000 2.572 419 A HA 0.899 5.219 4.320 -0.000 0.000 0.295 419 A C -1.988 175.590 177.584 -0.011 0.000 1.072 419 A CA -0.607 51.430 52.037 -0.000 0.000 0.691 419 A CB 1.789 20.794 19.000 0.009 0.000 1.291 419 A HN 1.234 nan 8.150 nan 0.000 0.404 420 L N 0.904 122.134 121.223 0.012 0.000 2.528 420 L HA 0.745 5.085 4.340 -0.000 0.000 0.267 420 L C -1.031 175.834 176.870 -0.009 0.000 0.961 420 L CA 0.318 55.174 54.840 0.027 0.000 0.866 420 L CB 1.974 44.102 42.059 0.114 0.000 1.248 420 L HN 0.626 nan 8.230 nan 0.000 0.404 421 S N 2.760 118.310 115.700 -0.251 0.000 2.571 421 S HA 1.007 5.477 4.470 -0.000 0.000 0.284 421 S C -0.174 173.916 174.600 -0.849 0.000 1.128 421 S CA -0.072 57.763 58.200 -0.607 0.000 0.970 421 S CB 1.811 64.795 63.200 -0.359 0.000 1.039 421 S HN 1.109 nan 8.310 nan 0.000 0.485 422 G N 1.322 109.253 108.800 -1.448 0.000 2.474 422 G HA2 0.519 4.479 3.960 -0.000 0.000 0.234 422 G HA3 0.519 4.479 3.960 -0.000 0.000 0.234 422 G C -2.374 171.949 174.900 -0.963 0.000 1.204 422 G CA -0.462 44.006 45.100 -1.053 0.000 0.939 422 G HN 0.465 nan 8.290 nan 0.000 0.491 423 Y N -1.237 118.993 120.300 -0.116 0.000 2.562 423 Y HA 0.689 5.239 4.550 -0.000 0.000 0.343 423 Y C -0.038 176.001 175.900 0.231 0.000 1.025 423 Y CA -1.006 57.148 58.100 0.089 0.000 1.082 423 Y CB 2.678 41.177 38.460 0.065 0.000 1.264 423 Y HN 0.291 nan 8.280 nan 0.000 0.478 424 V N 3.706 123.866 119.914 0.411 0.000 2.443 424 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 424 V C -2.555 173.678 176.094 0.232 0.000 1.002 424 V CA -1.651 60.814 62.300 0.275 0.000 0.840 424 V CB 1.044 33.008 31.823 0.235 0.000 1.042 424 V HN 0.533 nan 8.190 nan 0.000 0.446 425 P HA 0.647 nan 4.420 nan 0.000 0.277 425 P C 0.037 177.522 177.300 0.308 0.000 1.240 425 P CA 0.208 63.414 63.100 0.177 0.000 0.798 425 P CB 2.381 34.150 31.700 0.114 0.000 0.979 426 G N 1.302 110.246 108.800 0.241 0.000 2.368 426 G HA2 0.303 4.263 3.960 -0.000 0.000 0.293 426 G HA3 0.303 4.263 3.960 -0.000 0.000 0.293 426 G C -2.579 172.326 174.900 0.008 0.000 1.467 426 G CA -0.774 44.435 45.100 0.182 0.000 0.804 426 G HN 0.182 nan 8.290 nan 0.000 0.535 427 P HA -0.070 nan 4.420 nan 0.000 0.218 427 P C 1.094 178.359 177.300 -0.060 0.000 1.148 427 P CA 1.186 64.239 63.100 -0.079 0.000 0.822 427 P CB 0.334 31.962 31.700 -0.120 0.000 0.784 428 E N 0.153 120.307 120.200 -0.077 0.000 2.106 428 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 428 E C 1.507 178.106 176.600 -0.002 0.000 0.984 428 E CA 1.286 57.645 56.400 -0.068 0.000 0.806 428 E CB -0.307 29.313 29.700 -0.133 0.000 0.750 428 E HN 0.369 nan 8.360 nan 0.000 0.458 429 G N 0.514 109.337 108.800 0.038 0.000 2.317 429 G HA2 0.163 4.122 3.960 -0.000 0.000 0.293 429 G HA3 0.163 4.122 3.960 -0.000 0.000 0.293 429 G C -1.717 173.246 174.900 0.104 0.000 1.287 429 G CA -0.650 44.493 45.100 0.071 0.000 0.850 429 G HN -0.016 nan 8.290 nan 0.000 0.515 430 E N 0.199 120.463 120.200 0.106 0.000 2.121 430 E HA 0.610 4.960 4.350 -0.000 0.000 0.255 430 E C -0.800 175.905 176.600 0.175 0.000 0.906 430 E CA -0.535 55.938 56.400 0.122 0.000 0.745 430 E CB 0.607 30.344 29.700 0.061 0.000 1.155 430 E HN 0.351 nan 8.360 nan 0.000 0.424 431 L N 2.850 124.209 121.223 0.228 0.000 2.350 431 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 431 L C 0.090 177.167 176.870 0.346 0.000 1.099 431 L CA -0.276 54.720 54.840 0.259 0.000 0.808 431 L CB 1.552 43.759 42.059 0.247 0.000 1.149 431 L HN 0.649 nan 8.230 nan 0.000 0.442 432 A N 3.502 126.493 122.820 0.285 0.000 2.355 432 A HA 0.853 5.172 4.320 -0.000 0.000 0.317 432 A C -1.060 176.626 177.584 0.169 0.000 1.094 432 A CA -0.409 51.739 52.037 0.184 0.000 0.764 432 A CB 0.812 19.907 19.000 0.158 0.000 1.230 432 A HN 0.564 nan 8.150 nan 0.000 0.448 433 F N 0.168 120.090 119.950 -0.046 0.000 2.626 433 F HA 0.861 5.388 4.527 -0.000 0.000 0.311 433 F C -0.526 175.237 175.800 -0.063 0.000 1.088 433 F CA -0.869 57.108 58.000 -0.038 0.000 0.949 433 F CB 1.641 40.617 39.000 -0.040 0.000 1.322 433 F HN 0.528 nan 8.300 nan 0.000 0.461 434 S N 2.373 118.136 115.700 0.104 0.000 2.619 434 S HA 0.761 5.231 4.470 -0.000 0.000 0.280 434 S C -1.550 173.134 174.600 0.140 0.000 1.150 434 S CA -0.505 57.705 58.200 0.017 0.000 0.978 434 S CB 0.822 64.013 63.200 -0.015 0.000 1.041 434 S HN 0.692 nan 8.310 nan 0.000 0.485 435 I N 4.781 125.432 120.570 0.135 0.000 2.448 435 I HA 0.431 4.601 4.170 -0.000 0.000 0.281 435 I C -1.012 175.140 176.117 0.057 0.000 1.027 435 I CA -0.776 60.586 61.300 0.103 0.000 1.111 435 I CB 1.910 39.973 38.000 0.105 0.000 1.236 435 I HN 0.321 nan 8.210 nan 0.000 0.452 436 V N 5.967 125.913 119.914 0.053 0.000 2.378 436 V HA 0.404 4.523 4.120 -0.000 0.000 0.288 436 V C -0.283 175.839 176.094 0.047 0.000 1.016 436 V CA -0.715 61.612 62.300 0.046 0.000 0.840 436 V CB 1.479 33.335 31.823 0.055 0.000 0.994 436 V HN 0.624 nan 8.190 nan 0.000 0.431 437 N N 4.607 123.331 118.700 0.040 0.000 2.408 437 N HA 0.494 5.233 4.740 -0.000 0.000 0.280 437 N C -0.896 174.725 175.510 0.186 0.000 1.002 437 N CA -0.337 52.747 53.050 0.057 0.000 0.907 437 N CB 2.072 40.504 38.487 -0.091 0.000 1.161 437 N HN 0.686 nan 8.380 nan 0.000 0.488 438 N N -0.456 118.363 118.700 0.199 0.000 2.262 438 N HA 0.401 5.141 4.740 -0.000 0.000 0.295 438 N C 0.447 176.040 175.510 0.138 0.000 1.161 438 N CA -0.492 52.653 53.050 0.159 0.000 0.767 438 N CB 2.489 41.018 38.487 0.070 0.000 1.499 438 N HN 0.626 nan 8.380 nan 0.000 0.476 439 G N 0.704 109.492 108.800 -0.019 0.000 2.179 439 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 439 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 439 G C 0.020 174.895 174.900 -0.041 0.000 0.977 439 G CA 0.377 45.453 45.100 -0.040 0.000 0.641 439 G HN 0.853 nan 8.290 nan 0.000 0.533 440 H N 0.323 119.399 119.070 0.009 0.000 2.790 440 H HA 0.574 5.130 4.556 -0.000 0.000 0.358 440 H C 0.979 176.312 175.328 0.007 0.000 1.103 440 H CA 0.377 56.429 56.048 0.007 0.000 1.426 440 H CB 0.842 30.605 29.762 0.003 0.000 1.424 440 H HN 0.036 nan 8.280 nan 0.000 0.599 441 S N 1.306 117.041 115.700 0.058 0.000 2.517 441 S HA 0.184 4.654 4.470 -0.000 0.000 0.214 441 S C 1.241 175.859 174.600 0.029 0.000 0.991 441 S CA 0.097 58.301 58.200 0.007 0.000 0.906 441 S CB 0.442 63.650 63.200 0.014 0.000 0.789 441 S HN 0.915 nan 8.310 nan 0.000 0.513 442 G N 1.635 110.487 108.800 0.087 0.000 3.122 442 G HA2 0.599 4.559 3.960 -0.000 0.000 0.180 442 G HA3 0.599 4.559 3.960 -0.000 0.000 0.180 442 G C -2.849 172.121 174.900 0.117 0.000 1.279 442 G CA -1.388 43.757 45.100 0.075 0.000 0.987 442 G HN 0.092 nan 8.290 nan 0.000 0.589 443 P HA 0.367 nan 4.420 nan 0.000 0.270 443 P C 0.011 177.370 177.300 0.098 0.000 1.227 443 P CA -0.022 63.119 63.100 0.068 0.000 0.788 443 P CB 0.339 32.056 31.700 0.027 0.000 0.926 444 A N 3.071 125.933 122.820 0.069 0.000 2.498 444 A HA 0.217 4.537 4.320 -0.000 0.000 0.239 444 A C -1.603 175.922 177.584 -0.098 0.000 1.068 444 A CA -0.678 51.357 52.037 -0.003 0.000 0.766 444 A CB -0.951 18.052 19.000 0.004 0.000 1.003 444 A HN 0.451 nan 8.150 nan 0.000 0.497 445 P HA 0.135 nan 4.420 nan 0.000 0.220 445 P C 0.717 177.946 177.300 -0.118 0.000 1.778 445 P CA -0.066 62.932 63.100 -0.169 0.000 0.912 445 P CB -0.050 31.507 31.700 -0.238 0.000 1.861 446 L N 0.378 121.551 121.223 -0.084 0.000 2.042 446 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 446 L C 2.579 179.414 176.870 -0.058 0.000 1.076 446 L CA 1.804 56.607 54.840 -0.063 0.000 0.749 446 L CB -1.170 40.861 42.059 -0.047 0.000 0.893 446 L HN 0.114 nan 8.230 nan 0.000 0.432 447 A N -0.187 122.600 122.820 -0.055 0.000 1.933 447 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 447 A C 2.333 179.881 177.584 -0.061 0.000 1.175 447 A CA 1.659 53.665 52.037 -0.051 0.000 0.628 447 A CB -0.701 18.274 19.000 -0.042 0.000 0.814 447 A HN 0.220 nan 8.150 nan 0.000 0.444 448 V N -0.202 119.670 119.914 -0.070 0.000 2.358 448 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 448 V C 2.590 178.630 176.094 -0.089 0.000 1.047 448 V CA 2.159 64.412 62.300 -0.078 0.000 1.035 448 V CB -0.932 30.842 31.823 -0.081 0.000 0.658 448 V HN 0.641 nan 8.190 nan 0.000 0.452 449 Q N -0.273 119.478 119.800 -0.081 0.000 2.084 449 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 449 Q C 2.092 178.037 176.000 -0.093 0.000 0.978 449 Q CA 1.777 57.536 55.803 -0.074 0.000 0.844 449 Q CB -0.273 28.441 28.738 -0.041 0.000 0.898 449 Q HN 0.596 nan 8.270 nan 0.000 0.426 450 D N 0.676 121.030 120.400 -0.077 0.000 2.104 450 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 450 D C 1.809 178.047 176.300 -0.104 0.000 0.994 450 D CA 1.490 55.442 54.000 -0.080 0.000 0.830 450 D CB -0.334 40.431 40.800 -0.059 0.000 0.959 450 D HN 0.281 nan 8.370 nan 0.000 0.452 451 A N 0.562 123.324 122.820 -0.098 0.000 1.908 451 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 451 A C 2.389 179.887 177.584 -0.144 0.000 1.181 451 A CA 1.106 53.081 52.037 -0.103 0.000 0.627 451 A CB -0.738 18.210 19.000 -0.087 0.000 0.818 451 A HN 0.237 nan 8.150 nan 0.000 0.445 452 I N -0.550 119.909 120.570 -0.185 0.000 2.353 452 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 452 I C 2.940 178.851 176.117 -0.343 0.000 1.119 452 I CA 0.880 62.023 61.300 -0.261 0.000 1.417 452 I CB -0.311 37.519 38.000 -0.284 0.000 1.078 452 I HN 0.352 nan 8.210 nan 0.000 0.421 453 A N 0.511 123.112 122.820 -0.365 0.000 1.902 453 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 453 A C 2.434 179.868 177.584 -0.251 0.000 1.181 453 A CA 1.657 53.427 52.037 -0.446 0.000 0.623 453 A CB -0.927 17.888 19.000 -0.308 0.000 0.818 453 A HN 0.221 nan 8.150 nan 0.000 0.443 454 V N 0.112 119.929 119.914 -0.162 0.000 2.295 454 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 454 V C 2.679 178.730 176.094 -0.072 0.000 1.049 454 V CA 2.398 64.642 62.300 -0.094 0.000 1.024 454 V CB -0.823 30.959 31.823 -0.069 0.000 0.648 454 V HN 0.664 nan 8.190 nan 0.000 0.447 455 R N 0.386 120.827 120.500 -0.097 0.000 2.091 455 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 455 R C 2.040 178.321 176.300 -0.032 0.000 1.136 455 R CA 1.795 57.856 56.100 -0.064 0.000 0.959 455 R CB -0.717 29.520 30.300 -0.105 0.000 0.856 455 R HN 0.497 nan 8.270 nan 0.000 0.437 456 L N -0.372 120.786 121.223 -0.108 0.000 2.093 456 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 456 L C 2.512 179.427 176.870 0.075 0.000 1.085 456 L CA 1.209 56.014 54.840 -0.058 0.000 0.755 456 L CB -0.699 41.233 42.059 -0.212 0.000 0.904 456 L HN 0.342 nan 8.230 nan 0.000 0.435 457 A N 0.298 123.131 122.820 0.022 0.000 1.908 457 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 457 A C 2.141 179.829 177.584 0.173 0.000 1.181 457 A CA 1.769 53.862 52.037 0.093 0.000 0.627 457 A CB -0.449 18.553 19.000 0.004 0.000 0.818 457 A HN 0.477 nan 8.150 nan 0.000 0.445 458 E N -1.847 118.421 120.200 0.112 0.000 2.150 458 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 458 E C 1.840 178.505 176.600 0.108 0.000 0.985 458 E CA 1.332 57.792 56.400 0.101 0.000 0.814 458 E CB -0.308 29.429 29.700 0.062 0.000 0.752 458 E HN 0.797 nan 8.360 nan 0.000 0.466 459 Y N 1.236 121.545 120.300 0.014 0.000 2.224 459 Y HA -0.111 4.439 4.550 -0.000 0.000 0.289 459 Y C 1.938 177.851 175.900 0.021 0.000 1.146 459 Y CA 1.219 59.325 58.100 0.011 0.000 1.182 459 Y CB -0.035 38.428 38.460 0.005 0.000 0.983 459 Y HN -0.051 nan 8.280 nan 0.000 0.524 460 A N -0.270 122.650 122.820 0.166 0.000 2.310 460 A HA 0.362 4.682 4.320 -0.000 0.000 0.230 460 A C 1.646 179.178 177.584 -0.088 0.000 1.294 460 A CA 0.682 52.774 52.037 0.091 0.000 0.898 460 A CB -1.697 17.451 19.000 0.248 0.000 0.917 460 A HN 0.915 nan 8.150 nan 0.000 0.491 461 G N -0.711 108.008 108.800 -0.134 0.000 2.147 461 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 461 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 461 G C -0.033 174.697 174.900 -0.283 0.000 1.005 461 G CA 0.317 45.289 45.100 -0.213 0.000 0.713 461 G HN 0.709 nan 8.290 nan 0.000 0.515 462 H N -0.255 118.812 119.070 -0.005 0.000 2.499 462 H HA 0.656 5.212 4.556 -0.000 0.000 0.340 462 H C 0.172 175.499 175.328 -0.002 0.000 1.148 462 H CA -0.026 56.023 56.048 0.001 0.000 1.215 462 H CB 1.818 31.586 29.762 0.011 0.000 1.529 462 H HN 0.364 nan 8.280 nan 0.000 0.510 463 Q N 0.039 119.914 119.800 0.126 0.000 2.433 463 Q HA 0.530 4.870 4.340 -0.000 0.000 0.279 463 Q C -0.614 175.419 176.000 0.056 0.000 1.105 463 Q CA -0.990 54.852 55.803 0.065 0.000 0.815 463 Q CB 2.076 30.833 28.738 0.032 0.000 1.403 463 Q HN 0.790 nan 8.270 nan 0.000 0.435 464 A N 2.805 125.644 122.820 0.032 0.000 2.563 464 A HA 0.257 4.577 4.320 -0.000 0.000 0.256 464 A C -1.756 175.841 177.584 0.021 0.000 1.056 464 A CA -0.474 51.575 52.037 0.020 0.000 0.775 464 A CB -0.996 18.011 19.000 0.011 0.000 0.973 464 A HN 0.466 nan 8.150 nan 0.000 0.516 465 P HA 0.709 nan 4.420 nan 0.000 0.279 465 P C -0.130 177.178 177.300 0.013 0.000 1.282 465 P CA 0.602 63.713 63.100 0.019 0.000 0.788 465 P CB 0.978 32.688 31.700 0.016 0.000 1.139 466 E N 0.000 120.207 120.200 0.012 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440