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 2xk1_1_D 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 0.000 176.420 176.300 0.200 0.000 0.893 1 R CA 0.000 56.203 56.100 0.171 0.000 0.921 1 R CB 0.000 30.416 30.300 0.194 0.000 0.687 2 L N 1.013 122.312 121.223 0.126 0.000 2.049 2 L HA -0.034 4.305 4.340 -0.001 0.000 0.203 2 L C 2.024 178.922 176.870 0.047 0.000 1.074 2 L CA 2.923 57.802 54.840 0.065 0.000 0.749 2 L CB -0.477 41.616 42.059 0.056 0.000 0.907 2 L HN 0.401 nan 8.230 nan 0.000 0.439 3 T N -3.443 111.143 114.554 0.054 0.000 2.867 3 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 3 T C 1.691 176.424 174.700 0.054 0.000 1.057 3 T CA 1.231 63.362 62.100 0.051 0.000 1.136 3 T CB -0.273 68.620 68.868 0.041 0.000 0.874 3 T HN 0.360 nan 8.240 nan 0.000 0.466 4 E N 0.522 120.757 120.200 0.058 0.000 2.077 4 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 4 E C 2.029 178.656 176.600 0.044 0.000 0.989 4 E CA 0.879 57.312 56.400 0.055 0.000 0.800 4 E CB -0.249 29.494 29.700 0.071 0.000 0.746 4 E HN 0.444 nan 8.360 nan 0.000 0.452 5 L N 0.795 122.041 121.223 0.038 0.000 2.056 5 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 5 L C 2.503 179.352 176.870 -0.035 0.000 1.078 5 L CA 1.595 56.419 54.840 -0.027 0.000 0.749 5 L CB -0.248 41.727 42.059 -0.140 0.000 0.901 5 L HN -0.004 nan 8.230 nan 0.000 0.433 6 R N -0.102 120.433 120.500 0.059 0.000 2.080 6 R HA -0.247 4.093 4.340 -0.001 0.000 0.236 6 R C 2.249 178.645 176.300 0.160 0.000 1.137 6 R CA 2.097 58.325 56.100 0.213 0.000 0.943 6 R CB -0.326 30.095 30.300 0.201 0.000 0.846 6 R HN 0.720 nan 8.270 nan 0.000 0.431 7 E N -0.384 119.867 120.200 0.084 0.000 2.150 7 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 7 E C 1.129 177.741 176.600 0.021 0.000 0.985 7 E CA 1.392 57.827 56.400 0.058 0.000 0.814 7 E CB -0.158 29.566 29.700 0.041 0.000 0.752 7 E HN 0.336 nan 8.360 nan 0.000 0.466 8 D N 1.329 121.723 120.400 -0.009 0.000 2.097 8 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 8 D C 2.125 178.377 176.300 -0.079 0.000 0.984 8 D CA 1.143 55.120 54.000 -0.039 0.000 0.826 8 D CB -0.183 40.590 40.800 -0.043 0.000 0.973 8 D HN 0.312 nan 8.370 nan 0.000 0.460 9 I N 1.167 121.643 120.570 -0.157 0.000 2.315 9 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 9 I C 1.822 177.872 176.117 -0.111 0.000 1.117 9 I CA 0.843 61.992 61.300 -0.252 0.000 1.404 9 I CB -0.203 37.411 38.000 -0.642 0.000 1.071 9 I HN -0.150 nan 8.210 nan 0.000 0.419 10 D N 1.450 121.855 120.400 0.008 0.000 2.116 10 D HA -0.205 4.434 4.640 -0.001 0.000 0.193 10 D C 2.287 178.608 176.300 0.035 0.000 0.998 10 D CA 1.876 55.930 54.000 0.090 0.000 0.836 10 D CB -0.160 40.708 40.800 0.113 0.000 0.951 10 D HN 0.401 nan 8.370 nan 0.000 0.449 11 A N 0.311 123.136 122.820 0.009 0.000 1.968 11 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 11 A C 2.386 179.962 177.584 -0.013 0.000 1.169 11 A CA 0.579 52.616 52.037 -0.000 0.000 0.638 11 A CB -0.529 18.469 19.000 -0.005 0.000 0.812 11 A HN 0.181 nan 8.150 nan 0.000 0.446 12 I N -0.236 120.315 120.570 -0.032 0.000 2.179 12 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 12 I C 2.138 178.237 176.117 -0.030 0.000 1.088 12 I CA 1.186 62.460 61.300 -0.043 0.000 1.357 12 I CB -0.371 37.584 38.000 -0.074 0.000 1.051 12 I HN 0.242 nan 8.210 nan 0.000 0.409 13 L N 0.388 121.600 121.223 -0.019 0.000 2.353 13 L HA -0.157 4.183 4.340 -0.001 0.000 0.220 13 L C 2.198 179.074 176.870 0.010 0.000 1.133 13 L CA 0.750 55.592 54.840 0.003 0.000 0.798 13 L CB -0.563 41.517 42.059 0.035 0.000 0.922 13 L HN 0.258 nan 8.230 nan 0.000 0.445 14 E N -0.164 120.041 120.200 0.008 0.000 2.478 14 E HA -0.117 4.233 4.350 -0.001 0.000 0.198 14 E C 0.429 177.030 176.600 0.002 0.000 1.046 14 E CA 0.156 56.562 56.400 0.009 0.000 0.870 14 E CB -0.357 29.348 29.700 0.008 0.000 0.818 14 E HN 0.420 nan 8.360 nan 0.000 0.527 15 D N 1.508 121.904 120.400 -0.007 0.000 2.586 15 D HA -0.089 4.550 4.640 -0.001 0.000 0.234 15 D C -1.582 174.713 176.300 -0.008 0.000 1.132 15 D CA -1.081 52.911 54.000 -0.013 0.000 0.860 15 D CB 1.160 41.945 40.800 -0.026 0.000 1.159 15 D HN -0.094 nan 8.370 nan 0.000 0.490 16 P HA -0.165 nan 4.420 nan 0.000 0.218 16 P C 0.698 177.997 177.300 -0.002 0.000 1.146 16 P CA 1.217 64.315 63.100 -0.003 0.000 0.820 16 P CB 0.135 31.832 31.700 -0.006 0.000 0.778 17 A N -1.309 121.503 122.820 -0.013 0.000 2.235 17 A HA 0.010 4.329 4.320 -0.001 0.000 0.208 17 A C 1.273 178.856 177.584 -0.001 0.000 1.172 17 A CA 0.568 52.594 52.037 -0.018 0.000 0.786 17 A CB -0.973 17.996 19.000 -0.051 0.000 0.804 17 A HN 0.177 nan 8.150 nan 0.000 0.479 18 L N 0.486 121.716 121.223 0.012 0.000 3.084 18 L HA 0.242 4.582 4.340 -0.001 0.000 0.238 18 L C -0.054 176.843 176.870 0.045 0.000 1.327 18 L CA -0.353 54.511 54.840 0.040 0.000 1.094 18 L CB -0.012 42.064 42.059 0.029 0.000 1.477 18 L HN 0.214 nan 8.230 nan 0.000 0.514 19 E N 1.239 121.467 120.200 0.045 0.000 2.180 19 E HA 0.338 4.688 4.350 -0.001 0.000 0.283 19 E C 1.047 177.670 176.600 0.039 0.000 1.061 19 E CA 0.376 56.797 56.400 0.035 0.000 0.861 19 E CB 0.771 30.487 29.700 0.028 0.000 1.056 19 E HN 0.419 nan 8.360 nan 0.000 0.407 20 G N 3.495 112.313 108.800 0.029 0.000 2.338 20 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.296 20 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.296 20 G C -0.052 174.864 174.900 0.027 0.000 1.040 20 G CA 0.277 45.391 45.100 0.023 0.000 1.004 20 G HN 0.742 nan 8.290 nan 0.000 0.509 21 A N -0.002 122.844 122.820 0.043 0.000 2.310 21 A HA 0.745 5.065 4.320 -0.001 0.000 0.304 21 A C 0.267 177.882 177.584 0.051 0.000 1.231 21 A CA -0.345 51.727 52.037 0.060 0.000 0.799 21 A CB 1.489 20.562 19.000 0.121 0.000 1.162 21 A HN 1.236 nan 8.150 nan 0.000 0.486 22 V N 2.241 122.176 119.914 0.035 0.000 2.521 22 V HA 0.380 4.500 4.120 -0.001 0.000 0.286 22 V C 0.569 176.693 176.094 0.049 0.000 1.034 22 V CA 0.226 62.547 62.300 0.034 0.000 1.045 22 V CB 0.804 32.639 31.823 0.020 0.000 0.974 22 V HN 0.810 nan 8.190 nan 0.000 0.480 23 S N 2.653 118.385 115.700 0.053 0.000 2.538 23 S HA 0.733 5.202 4.470 -0.001 0.000 0.288 23 S C 0.218 174.859 174.600 0.068 0.000 1.108 23 S CA -0.457 57.782 58.200 0.065 0.000 0.971 23 S CB 1.925 65.168 63.200 0.071 0.000 1.041 23 S HN 1.093 nan 8.310 nan 0.000 0.483 24 G N 1.484 110.329 108.800 0.074 0.000 2.671 24 G HA2 0.563 4.522 3.960 -0.001 0.000 0.318 24 G HA3 0.563 4.522 3.960 -0.001 0.000 0.318 24 G C -1.154 173.810 174.900 0.106 0.000 1.250 24 G CA -0.380 44.768 45.100 0.080 0.000 1.028 24 G HN 0.577 nan 8.290 nan 0.000 0.501 25 V N 3.400 123.398 119.914 0.141 0.000 2.349 25 V HA 0.453 4.573 4.120 -0.001 0.000 0.284 25 V C -0.357 175.885 176.094 0.246 0.000 1.014 25 V CA -0.609 61.806 62.300 0.193 0.000 0.826 25 V CB 1.456 33.408 31.823 0.215 0.000 1.009 25 V HN 0.523 nan 8.190 nan 0.000 0.431 26 V N 5.371 125.407 119.914 0.204 0.000 2.656 26 V HA 0.694 4.814 4.120 -0.001 0.000 0.307 26 V C -0.476 175.743 176.094 0.208 0.000 1.051 26 V CA -0.703 61.711 62.300 0.190 0.000 0.893 26 V CB 2.221 34.114 31.823 0.118 0.000 0.999 26 V HN 0.534 nan 8.190 nan 0.000 0.426 27 V N 4.377 124.414 119.914 0.205 0.000 2.638 27 V HA 0.701 4.820 4.120 -0.001 0.000 0.306 27 V C -0.608 175.566 176.094 0.133 0.000 1.052 27 V CA -0.558 61.851 62.300 0.182 0.000 0.885 27 V CB 2.055 33.955 31.823 0.128 0.000 0.999 27 V HN 0.623 nan 8.190 nan 0.000 0.424 28 V N 2.271 122.265 119.914 0.134 0.000 2.925 28 V HA 0.469 4.588 4.120 -0.001 0.000 0.311 28 V C -1.005 175.160 176.094 0.119 0.000 1.104 28 V CA -0.652 61.712 62.300 0.107 0.000 0.954 28 V CB 2.475 34.358 31.823 0.100 0.000 1.022 28 V HN 0.981 nan 8.190 nan 0.000 0.427 29 D N 1.719 122.176 120.400 0.096 0.000 2.339 29 D HA 0.241 4.881 4.640 -0.001 0.000 0.241 29 D C 1.034 177.393 176.300 0.097 0.000 1.183 29 D CA -0.013 54.050 54.000 0.104 0.000 0.859 29 D CB 1.515 42.371 40.800 0.092 0.000 1.067 29 D HN 0.584 nan 8.370 nan 0.000 0.484 30 T N 2.472 117.092 114.554 0.111 0.000 3.227 30 T HA 0.141 4.491 4.350 -0.001 0.000 0.257 30 T C 1.276 176.007 174.700 0.052 0.000 1.162 30 T CA 0.540 62.692 62.100 0.086 0.000 1.051 30 T CB 0.118 69.040 68.868 0.091 0.000 0.953 30 T HN 0.455 nan 8.240 nan 0.000 0.535 31 A N 2.528 125.382 122.820 0.056 0.000 2.109 31 A HA 0.107 4.427 4.320 -0.001 0.000 0.220 31 A C 2.594 180.199 177.584 0.035 0.000 1.613 31 A CA 1.090 53.151 52.037 0.041 0.000 0.620 31 A CB -1.237 17.791 19.000 0.048 0.000 1.212 31 A HN 0.477 nan 8.150 nan 0.000 0.508 32 T N -3.314 111.264 114.554 0.040 0.000 2.643 32 T HA 0.305 4.655 4.350 -0.001 0.000 0.264 32 T C 1.520 176.239 174.700 0.033 0.000 1.045 32 T CA 2.047 64.167 62.100 0.033 0.000 1.155 32 T CB -0.603 68.287 68.868 0.036 0.000 0.863 32 T HN 1.949 nan 8.240 nan 0.000 0.420 33 G N 0.552 109.377 108.800 0.042 0.000 2.227 33 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.168 33 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.168 33 G C -0.190 174.735 174.900 0.042 0.000 1.006 33 G CA 0.036 45.161 45.100 0.042 0.000 0.684 33 G HN 0.751 nan 8.290 nan 0.000 0.489 34 E N 1.362 121.587 120.200 0.041 0.000 2.366 34 E HA 0.193 4.543 4.350 -0.001 0.000 0.266 34 E C -0.046 176.578 176.600 0.041 0.000 1.015 34 E CA -0.217 56.206 56.400 0.037 0.000 0.906 34 E CB 0.412 30.134 29.700 0.036 0.000 0.979 34 E HN 0.330 nan 8.360 nan 0.000 0.443 35 E N 5.487 125.708 120.200 0.036 0.000 2.180 35 E HA 0.010 4.360 4.350 -0.001 0.000 0.283 35 E C 0.357 176.977 176.600 0.033 0.000 1.061 35 E CA -0.076 56.349 56.400 0.041 0.000 0.861 35 E CB 0.700 30.420 29.700 0.034 0.000 1.056 35 E HN 0.632 nan 8.360 nan 0.000 0.407 36 L N 4.767 126.016 121.223 0.044 0.000 2.168 36 L HA 0.112 4.451 4.340 -0.001 0.000 0.203 36 L C 0.530 177.457 176.870 0.096 0.000 1.078 36 L CA 0.513 55.372 54.840 0.032 0.000 0.780 36 L CB 0.047 42.087 42.059 -0.031 0.000 0.939 36 L HN 0.509 nan 8.230 nan 0.000 0.451 37 Y N -0.645 119.638 120.300 -0.029 0.000 2.433 37 Y HA 0.522 5.072 4.550 -0.001 0.000 0.337 37 Y C -0.895 175.008 175.900 0.004 0.000 1.026 37 Y CA -0.851 57.237 58.100 -0.020 0.000 1.037 37 Y CB 2.073 40.512 38.460 -0.035 0.000 1.245 37 Y HN -0.236 nan 8.280 nan 0.000 0.443 38 S N 6.541 122.054 115.700 -0.312 0.000 2.689 38 S HA 0.532 5.002 4.470 -0.001 0.000 0.274 38 S C -1.864 172.570 174.600 -0.276 0.000 1.176 38 S CA -0.671 57.438 58.200 -0.151 0.000 1.014 38 S CB 0.646 63.808 63.200 -0.064 0.000 1.071 38 S HN 0.807 nan 8.310 nan 0.000 0.478 39 R N 3.086 123.506 120.500 -0.134 0.000 2.513 39 R HA 0.344 4.684 4.340 -0.001 0.000 0.301 39 R C -1.128 175.174 176.300 0.003 0.000 0.968 39 R CA -0.339 55.709 56.100 -0.087 0.000 0.872 39 R CB 0.751 31.029 30.300 -0.036 0.000 1.177 39 R HN 0.744 nan 8.270 nan 0.000 0.444 40 D N 2.962 123.358 120.400 -0.007 0.000 2.890 40 D HA -0.160 4.479 4.640 -0.001 0.000 0.226 40 D C 0.845 177.159 176.300 0.023 0.000 1.207 40 D CA 1.318 55.325 54.000 0.011 0.000 0.764 40 D CB -0.647 40.167 40.800 0.023 0.000 0.948 40 D HN 0.931 nan 8.370 nan 0.000 0.404 41 G N 0.343 109.151 108.800 0.014 0.000 2.408 41 G HA2 0.011 3.971 3.960 -0.001 0.000 0.215 41 G HA3 0.011 3.971 3.960 -0.001 0.000 0.215 41 G C 1.587 176.504 174.900 0.029 0.000 1.156 41 G CA 0.690 45.807 45.100 0.027 0.000 0.793 41 G HN 0.504 nan 8.290 nan 0.000 0.535 42 G N -0.007 108.804 108.800 0.019 0.000 2.511 42 G HA2 0.064 4.024 3.960 -0.001 0.000 0.217 42 G HA3 0.064 4.024 3.960 -0.001 0.000 0.217 42 G C 0.697 175.607 174.900 0.017 0.000 1.133 42 G CA 0.250 45.361 45.100 0.018 0.000 0.792 42 G HN 0.426 nan 8.290 nan 0.000 0.539 43 E N 0.922 121.132 120.200 0.018 0.000 2.502 43 E HA 0.082 4.432 4.350 -0.001 0.000 0.261 43 E C 0.180 176.790 176.600 0.018 0.000 0.974 43 E CA 0.242 56.652 56.400 0.017 0.000 0.936 43 E CB 0.220 29.932 29.700 0.019 0.000 0.926 43 E HN 0.337 nan 8.360 nan 0.000 0.459 44 Q N 3.726 123.532 119.800 0.011 0.000 2.322 44 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 44 Q C -0.566 175.438 176.000 0.007 0.000 0.960 44 Q CA -0.278 55.528 55.803 0.006 0.000 0.934 44 Q CB 0.849 29.585 28.738 -0.002 0.000 1.200 44 Q HN 0.484 nan 8.270 nan 0.000 0.435 45 L N 1.807 123.036 121.223 0.010 0.000 2.303 45 L HA 0.532 4.872 4.340 -0.001 0.000 0.256 45 L C -0.503 176.371 176.870 0.007 0.000 1.034 45 L CA -1.198 53.647 54.840 0.009 0.000 0.832 45 L CB 1.567 43.637 42.059 0.018 0.000 1.403 45 L HN 0.413 nan 8.230 nan 0.000 0.419 46 L N 2.435 123.659 121.223 0.001 0.000 2.410 46 L HA 0.183 4.522 4.340 -0.001 0.000 0.273 46 L C -1.634 175.242 176.870 0.011 0.000 1.152 46 L CA -1.129 53.711 54.840 -0.001 0.000 0.855 46 L CB 0.446 42.496 42.059 -0.015 0.000 1.129 46 L HN 0.410 nan 8.230 nan 0.000 0.463 47 P HA 0.081 nan 4.420 nan 0.000 0.267 47 P C 0.822 178.137 177.300 0.026 0.000 1.289 47 P CA 0.629 63.760 63.100 0.052 0.000 0.866 47 P CB 0.763 32.529 31.700 0.111 0.000 1.309 48 A N 0.991 123.808 122.820 -0.005 0.000 5.328 48 A HA -0.347 3.972 4.320 -0.001 0.000 0.346 48 A C 2.074 179.650 177.584 -0.012 0.000 1.675 48 A CA 2.424 54.438 52.037 -0.039 0.000 0.717 48 A CB -2.371 16.583 19.000 -0.076 0.000 1.467 48 A HN 0.207 nan 8.150 nan 0.000 0.409 49 S N 0.340 116.016 115.700 -0.041 0.000 2.474 49 S HA -0.088 4.381 4.470 -0.001 0.000 0.235 49 S C 1.492 176.087 174.600 -0.008 0.000 0.997 49 S CA 1.201 59.382 58.200 -0.033 0.000 0.949 49 S CB -0.616 62.534 63.200 -0.083 0.000 0.766 49 S HN 0.627 nan 8.310 nan 0.000 0.517 50 N N 1.383 120.088 118.700 0.008 0.000 2.430 50 N HA -0.046 4.693 4.740 -0.001 0.000 0.186 50 N C 1.393 177.006 175.510 0.172 0.000 1.032 50 N CA 0.514 53.582 53.050 0.031 0.000 0.893 50 N CB -0.336 38.173 38.487 0.036 0.000 0.957 50 N HN 0.317 nan 8.380 nan 0.000 0.442 51 M N 1.036 120.775 119.600 0.232 0.000 2.159 51 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 51 M C 1.396 177.934 176.300 0.397 0.000 1.063 51 M CA 1.553 57.088 55.300 0.392 0.000 1.110 51 M CB -0.062 32.668 32.600 0.218 0.000 1.374 51 M HN -0.077 nan 8.290 nan 0.000 0.411 52 K N -0.239 120.292 120.400 0.218 0.000 2.160 52 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 52 K C 1.866 178.575 176.600 0.183 0.000 1.047 52 K CA 1.526 57.938 56.287 0.209 0.000 0.930 52 K CB -0.576 31.928 32.500 0.006 0.000 0.720 52 K HN 0.405 nan 8.250 nan 0.000 0.450 53 L N -0.221 121.033 121.223 0.051 0.000 2.081 53 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 53 L C 2.112 179.046 176.870 0.106 0.000 1.080 53 L CA 1.491 56.336 54.840 0.008 0.000 0.754 53 L CB -0.416 41.503 42.059 -0.233 0.000 0.893 53 L HN 0.119 nan 8.230 nan 0.000 0.433 54 F N -0.970 119.115 119.950 0.225 0.000 2.149 54 F HA -0.139 4.387 4.527 -0.001 0.000 0.294 54 F C 2.649 178.555 175.800 0.177 0.000 1.095 54 F CA 1.338 59.447 58.000 0.181 0.000 1.276 54 F CB -1.174 37.901 39.000 0.126 0.000 1.023 54 F HN -0.093 nan 8.300 nan 0.000 0.480 55 T N 0.108 114.898 114.554 0.394 0.000 2.788 55 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 55 T C 2.243 177.095 174.700 0.253 0.000 1.044 55 T CA 1.255 63.529 62.100 0.291 0.000 1.139 55 T CB -0.589 68.465 68.868 0.311 0.000 0.867 55 T HN 0.298 nan 8.240 nan 0.000 0.454 56 A N 1.601 124.634 122.820 0.354 0.000 1.855 56 A HA 0.230 4.549 4.320 -0.001 0.000 0.215 56 A C 2.682 180.362 177.584 0.160 0.000 1.191 56 A CA 1.671 53.921 52.037 0.356 0.000 0.613 56 A CB -1.235 18.047 19.000 0.470 0.000 0.829 56 A HN 0.488 nan 8.150 nan 0.000 0.442 57 A N -0.365 122.571 122.820 0.193 0.000 2.024 57 A HA 0.134 4.453 4.320 -0.001 0.000 0.220 57 A C 2.368 179.876 177.584 -0.127 0.000 1.164 57 A CA 2.175 54.080 52.037 -0.219 0.000 0.643 57 A CB -0.789 18.108 19.000 -0.171 0.000 0.806 57 A HN 0.967 nan 8.150 nan 0.000 0.451 58 A N -0.236 122.598 122.820 0.022 0.000 1.843 58 A HA 0.315 4.635 4.320 -0.001 0.000 0.213 58 A C 2.510 180.083 177.584 -0.018 0.000 1.202 58 A CA 1.626 53.691 52.037 0.048 0.000 0.607 58 A CB -1.222 17.836 19.000 0.096 0.000 0.847 58 A HN 1.111 nan 8.150 nan 0.000 0.445 59 A N -0.476 122.326 122.820 -0.030 0.000 2.032 59 A HA -0.093 4.226 4.320 -0.001 0.000 0.221 59 A C 2.155 179.666 177.584 -0.122 0.000 1.165 59 A CA 1.630 53.634 52.037 -0.056 0.000 0.645 59 A CB -0.597 18.376 19.000 -0.044 0.000 0.807 59 A HN 0.482 nan 8.150 nan 0.000 0.453 60 L N -1.271 119.780 121.223 -0.288 0.000 2.068 60 L HA -0.088 4.251 4.340 -0.001 0.000 0.204 60 L C 2.675 179.418 176.870 -0.211 0.000 1.076 60 L CA 1.106 55.635 54.840 -0.519 0.000 0.753 60 L CB -0.412 40.778 42.059 -1.447 0.000 0.910 60 L HN 0.315 nan 8.230 nan 0.000 0.439 61 E N -0.307 119.895 120.200 0.004 0.000 2.153 61 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 61 E C 2.126 178.825 176.600 0.165 0.000 0.988 61 E CA 1.075 57.678 56.400 0.338 0.000 0.811 61 E CB 0.079 29.988 29.700 0.348 0.000 0.746 61 E HN 0.275 nan 8.360 nan 0.000 0.466 62 V N 0.857 120.814 119.914 0.072 0.000 2.284 62 V HA -0.143 3.976 4.120 -0.001 0.000 0.236 62 V C 2.379 178.488 176.094 0.024 0.000 1.044 62 V CA 0.973 63.300 62.300 0.046 0.000 1.019 62 V CB -0.398 31.439 31.823 0.022 0.000 0.657 62 V HN 0.178 nan 8.190 nan 0.000 0.465 63 L N 0.310 121.510 121.223 -0.038 0.000 2.376 63 L HA 0.265 4.605 4.340 -0.001 0.000 0.219 63 L C 1.115 178.004 176.870 0.032 0.000 1.133 63 L CA 0.803 55.578 54.840 -0.109 0.000 0.816 63 L CB -1.075 40.765 42.059 -0.365 0.000 0.933 63 L HN 0.624 nan 8.230 nan 0.000 0.449 64 G N -0.958 107.874 108.800 0.053 0.000 2.716 64 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.686 64 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.686 64 G C 0.642 175.593 174.900 0.086 0.000 1.337 64 G CA -0.323 44.843 45.100 0.110 0.000 0.829 64 G HN 0.189 nan 8.290 nan 0.000 0.599 65 A N 0.383 123.281 122.820 0.130 0.000 2.024 65 A HA 0.044 4.363 4.320 -0.001 0.000 0.220 65 A C 1.894 179.525 177.584 0.079 0.000 1.164 65 A CA 2.555 54.660 52.037 0.113 0.000 0.643 65 A CB -0.362 18.755 19.000 0.195 0.000 0.806 65 A HN 1.496 nan 8.150 nan 0.000 0.451 66 D N -2.568 117.872 120.400 0.066 0.000 2.363 66 D HA 0.156 4.795 4.640 -0.001 0.000 0.214 66 D C 0.539 176.817 176.300 -0.037 0.000 1.093 66 D CA -0.331 53.680 54.000 0.018 0.000 0.837 66 D CB -0.755 40.053 40.800 0.013 0.000 0.948 66 D HN 0.583 nan 8.370 nan 0.000 0.507 67 H N 0.845 119.836 119.070 -0.131 0.000 2.948 67 H HA 0.311 4.867 4.556 -0.001 0.000 0.351 67 H C -0.036 175.047 175.328 -0.409 0.000 1.079 67 H CA 0.584 56.472 56.048 -0.267 0.000 1.407 67 H CB 0.576 30.157 29.762 -0.303 0.000 1.373 67 H HN 0.123 nan 8.280 nan 0.000 0.605 68 S N 2.919 118.153 115.700 -0.776 0.000 2.588 68 S HA 0.532 5.002 4.470 -0.001 0.000 0.275 68 S C -1.336 172.800 174.600 -0.774 0.000 1.130 68 S CA -1.038 56.778 58.200 -0.640 0.000 0.855 68 S CB 1.312 64.315 63.200 -0.328 0.000 1.116 68 S HN 0.405 nan 8.310 nan 0.000 0.472 69 F N 0.443 120.341 119.950 -0.087 0.000 2.450 69 F HA 0.748 5.274 4.527 -0.001 0.000 0.332 69 F C 0.975 176.691 175.800 -0.141 0.000 1.093 69 F CA -0.473 57.471 58.000 -0.093 0.000 1.003 69 F CB 1.943 40.913 39.000 -0.050 0.000 1.151 69 F HN 0.930 nan 8.300 nan 0.000 0.474 70 G N 0.774 109.555 108.800 -0.031 0.000 2.416 70 G HA2 0.613 4.572 3.960 -0.001 0.000 0.329 70 G HA3 0.613 4.572 3.960 -0.001 0.000 0.329 70 G C -1.158 173.673 174.900 -0.115 0.000 1.173 70 G CA -0.572 44.468 45.100 -0.099 0.000 0.929 70 G HN 0.546 nan 8.290 nan 0.000 0.475 71 T N 0.840 115.357 114.554 -0.062 0.000 2.932 71 T HA 0.738 5.087 4.350 -0.001 0.000 0.289 71 T C -0.498 174.155 174.700 -0.078 0.000 1.039 71 T CA -0.736 61.313 62.100 -0.086 0.000 1.024 71 T CB 2.002 70.835 68.868 -0.058 0.000 1.090 71 T HN 0.777 nan 8.240 nan 0.000 0.496 72 E N -0.560 119.579 120.200 -0.101 0.000 2.423 72 E HA 0.584 4.933 4.350 -0.001 0.000 0.280 72 E C -1.889 174.662 176.600 -0.082 0.000 1.030 72 E CA -1.123 55.234 56.400 -0.072 0.000 0.812 72 E CB 1.391 31.061 29.700 -0.050 0.000 1.313 72 E HN 0.278 nan 8.360 nan 0.000 0.456 73 V N 0.533 120.424 119.914 -0.039 0.000 2.384 73 V HA 0.686 4.805 4.120 -0.001 0.000 0.287 73 V C -0.288 175.838 176.094 0.054 0.000 1.020 73 V CA -0.448 61.845 62.300 -0.011 0.000 0.850 73 V CB 0.896 32.741 31.823 0.037 0.000 0.987 73 V HN 0.808 nan 8.190 nan 0.000 0.436 74 A N 4.033 126.907 122.820 0.090 0.000 2.325 74 A HA 1.034 5.353 4.320 -0.001 0.000 0.333 74 A C -0.102 177.533 177.584 0.085 0.000 1.155 74 A CA -0.121 51.990 52.037 0.123 0.000 0.814 74 A CB 1.653 20.778 19.000 0.210 0.000 1.206 74 A HN 1.587 nan 8.150 nan 0.000 0.482 75 A N 0.636 123.537 122.820 0.134 0.000 2.604 75 A HA 0.610 4.930 4.320 -0.001 0.000 0.295 75 A C 0.391 177.939 177.584 -0.059 0.000 1.067 75 A CA 0.053 52.136 52.037 0.077 0.000 0.683 75 A CB 0.666 19.664 19.000 -0.005 0.000 1.281 75 A HN 0.886 nan 8.150 nan 0.000 0.407 76 E N 0.643 120.545 120.200 -0.497 0.000 1.997 76 E HA 0.009 4.359 4.350 -0.001 0.000 0.196 76 E C 0.122 176.499 176.600 -0.372 0.000 0.990 76 E CA 1.390 57.293 56.400 -0.829 0.000 0.845 76 E CB 0.030 28.986 29.700 -1.239 0.000 0.795 76 E HN 0.647 nan 8.360 nan 0.000 0.479 77 S N -0.285 115.237 115.700 -0.296 0.000 2.509 77 S HA 0.587 5.056 4.470 -0.001 0.000 0.297 77 S C -0.495 174.035 174.600 -0.117 0.000 1.118 77 S CA -0.643 57.453 58.200 -0.173 0.000 1.074 77 S CB 1.798 64.904 63.200 -0.157 0.000 1.038 77 S HN 0.471 nan 8.310 nan 0.000 0.498 78 A N 3.354 126.127 122.820 -0.078 0.000 2.287 78 A HA 0.764 5.084 4.320 -0.001 0.000 0.273 78 A C -2.136 175.419 177.584 -0.048 0.000 1.091 78 A CA -1.080 50.926 52.037 -0.052 0.000 0.817 78 A CB -0.600 18.380 19.000 -0.035 0.000 1.069 78 A HN 0.588 nan 8.150 nan 0.000 0.492 79 P HA 0.667 nan 4.420 nan 0.000 0.301 79 P C 0.444 177.728 177.300 -0.026 0.000 1.309 79 P CA 0.301 63.382 63.100 -0.033 0.000 0.782 79 P CB 1.398 33.081 31.700 -0.029 0.000 1.282 80 G N -0.720 108.066 108.800 -0.023 0.000 2.789 80 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.164 80 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.164 80 G C 1.108 175.998 174.900 -0.017 0.000 1.279 80 G CA 0.046 45.135 45.100 -0.019 0.000 0.741 80 G HN 0.541 nan 8.290 nan 0.000 0.685 81 R N 0.657 121.147 120.500 -0.017 0.000 2.237 81 R HA 0.293 4.632 4.340 -0.001 0.000 0.195 81 R C 1.983 178.273 176.300 -0.017 0.000 0.956 81 R CA 0.094 56.185 56.100 -0.016 0.000 1.029 81 R CB -0.299 29.992 30.300 -0.014 0.000 0.972 81 R HN 0.203 nan 8.270 nan 0.000 0.493 82 R N 0.790 121.278 120.500 -0.019 0.000 2.092 82 R HA -0.056 4.284 4.340 -0.001 0.000 0.231 82 R C 0.602 176.890 176.300 -0.020 0.000 1.119 82 R CA 1.349 57.437 56.100 -0.020 0.000 0.970 82 R CB -0.536 29.750 30.300 -0.024 0.000 0.864 82 R HN 0.537 nan 8.270 nan 0.000 0.440 83 G N 1.408 110.195 108.800 -0.021 0.000 2.198 83 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.260 83 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.260 83 G C -0.342 174.544 174.900 -0.023 0.000 1.025 83 G CA 0.629 45.716 45.100 -0.021 0.000 0.769 83 G HN 0.393 nan 8.290 nan 0.000 0.507 84 E N -0.946 119.239 120.200 -0.025 0.000 2.293 84 E HA 0.650 4.999 4.350 -0.001 0.000 0.270 84 E C -0.050 176.530 176.600 -0.032 0.000 0.879 84 E CA -0.439 55.945 56.400 -0.027 0.000 0.756 84 E CB 2.822 32.507 29.700 -0.025 0.000 1.208 84 E HN 0.803 nan 8.360 nan 0.000 0.428 85 V N -1.045 118.850 119.914 -0.031 0.000 3.078 85 V HA 0.424 4.544 4.120 -0.001 0.000 0.311 85 V C 0.309 176.385 176.094 -0.029 0.000 1.138 85 V CA -0.864 61.413 62.300 -0.038 0.000 1.007 85 V CB 2.210 34.014 31.823 -0.032 0.000 1.045 85 V HN 0.521 nan 8.190 nan 0.000 0.432 86 Q N 0.480 120.260 119.800 -0.033 0.000 1.900 86 Q HA 0.269 4.608 4.340 -0.001 0.000 0.322 86 Q C -0.332 175.679 176.000 0.018 0.000 0.959 86 Q CA 0.469 56.269 55.803 -0.004 0.000 0.866 86 Q CB 0.015 28.755 28.738 0.003 0.000 1.196 86 Q HN 0.905 nan 8.270 nan 0.000 0.458 87 D N 0.845 121.289 120.400 0.073 0.000 2.304 87 D HA 0.343 4.983 4.640 -0.001 0.000 0.250 87 D C -0.608 175.682 176.300 -0.016 0.000 1.107 87 D CA 0.222 54.278 54.000 0.094 0.000 0.885 87 D CB 0.720 41.703 40.800 0.304 0.000 1.192 87 D HN 0.075 nan 8.370 nan 0.000 0.436 88 L N 3.167 124.356 121.223 -0.056 0.000 2.372 88 L HA 0.283 4.623 4.340 -0.001 0.000 0.274 88 L C -1.260 175.676 176.870 0.109 0.000 0.988 88 L CA -0.923 53.905 54.840 -0.021 0.000 0.833 88 L CB 1.033 43.127 42.059 0.059 0.000 1.236 88 L HN 0.274 nan 8.230 nan 0.000 0.410 89 Y N 3.782 124.163 120.300 0.135 0.000 2.331 89 Y HA 0.386 4.935 4.550 -0.001 0.000 0.338 89 Y C -0.047 175.847 175.900 -0.009 0.000 0.992 89 Y CA -1.515 56.630 58.100 0.077 0.000 1.121 89 Y CB 1.472 39.950 38.460 0.030 0.000 1.184 89 Y HN 0.319 nan 8.280 nan 0.000 0.469 90 L N 4.753 126.026 121.223 0.084 0.000 2.290 90 L HA 0.615 4.955 4.340 -0.001 0.000 0.284 90 L C -0.837 175.987 176.870 -0.077 0.000 1.078 90 L CA -0.361 54.392 54.840 -0.145 0.000 0.815 90 L CB 0.625 42.492 42.059 -0.320 0.000 1.162 90 L HN 0.392 nan 8.230 nan 0.000 0.435 91 V N 5.399 125.250 119.914 -0.105 0.000 2.409 91 V HA 0.614 4.734 4.120 -0.001 0.000 0.290 91 V C 0.503 176.512 176.094 -0.140 0.000 1.017 91 V CA -0.403 61.842 62.300 -0.092 0.000 0.841 91 V CB 1.181 32.973 31.823 -0.051 0.000 1.003 91 V HN 0.936 nan 8.190 nan 0.000 0.426 92 G N 3.262 111.972 108.800 -0.150 0.000 2.332 92 G HA2 0.527 4.486 3.960 -0.001 0.000 0.310 92 G HA3 0.527 4.486 3.960 -0.001 0.000 0.310 92 G C 0.007 174.741 174.900 -0.278 0.000 1.123 92 G CA -0.646 44.343 45.100 -0.185 0.000 0.873 92 G HN 0.656 nan 8.290 nan 0.000 0.460 93 R N 1.892 122.168 120.500 -0.373 0.000 3.534 93 R HA 0.314 4.654 4.340 -0.001 0.000 0.312 93 R C 1.053 177.072 176.300 -0.469 0.000 1.419 93 R CA 0.351 56.038 56.100 -0.688 0.000 1.262 93 R CB 0.503 30.285 30.300 -0.864 0.000 1.437 93 R HN 0.910 nan 8.270 nan 0.000 0.627 94 G N 1.812 110.353 108.800 -0.432 0.000 2.353 94 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.294 94 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.294 94 G C -0.703 173.977 174.900 -0.366 0.000 1.077 94 G CA -0.010 44.858 45.100 -0.387 0.000 1.098 94 G HN 0.434 nan 8.290 nan 0.000 0.511 95 D N 0.552 120.809 120.400 -0.238 0.000 2.347 95 D HA 0.424 5.063 4.640 -0.001 0.000 0.235 95 D C -0.116 176.052 176.300 -0.221 0.000 1.149 95 D CA -2.221 51.645 54.000 -0.222 0.000 0.850 95 D CB 1.403 42.174 40.800 -0.048 0.000 1.061 95 D HN 0.175 nan 8.370 nan 0.000 0.487 96 P HA -0.064 nan 4.420 nan 0.000 0.220 96 P C 0.747 177.907 177.300 -0.233 0.000 1.152 96 P CA 0.923 63.856 63.100 -0.277 0.000 0.812 96 P CB 0.039 31.365 31.700 -0.624 0.000 0.792 97 T N -2.847 111.467 114.554 -0.399 0.000 3.251 97 T HA 0.206 4.556 4.350 -0.001 0.000 0.259 97 T C 0.532 174.992 174.700 -0.400 0.000 0.998 97 T CA -0.497 61.127 62.100 -0.794 0.000 0.905 97 T CB -0.572 67.583 68.868 -1.188 0.000 1.067 97 T HN -0.107 nan 8.240 nan 0.000 0.569 98 L N 4.007 125.161 121.223 -0.114 0.000 2.342 98 L HA 0.403 4.742 4.340 -0.001 0.000 0.285 98 L C 0.098 176.998 176.870 0.050 0.000 1.095 98 L CA 0.095 54.905 54.840 -0.049 0.000 0.843 98 L CB 0.139 42.164 42.059 -0.057 0.000 1.201 98 L HN 0.525 nan 8.230 nan 0.000 0.445 99 S N 3.234 118.975 115.700 0.068 0.000 2.541 99 S HA 0.447 4.917 4.470 -0.001 0.000 0.283 99 S C 1.215 175.836 174.600 0.034 0.000 1.196 99 S CA -0.220 58.057 58.200 0.129 0.000 1.062 99 S CB 1.752 65.080 63.200 0.213 0.000 1.009 99 S HN 0.694 nan 8.310 nan 0.000 0.502 100 A N 1.060 123.913 122.820 0.056 0.000 2.084 100 A HA -0.159 4.161 4.320 -0.001 0.000 0.221 100 A C 1.979 179.581 177.584 0.029 0.000 1.161 100 A CA 1.781 53.845 52.037 0.045 0.000 0.653 100 A CB -0.908 18.128 19.000 0.060 0.000 0.802 100 A HN 0.993 nan 8.150 nan 0.000 0.457 101 E N -0.156 120.057 120.200 0.021 0.000 2.106 101 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 101 E C 0.915 177.514 176.600 -0.002 0.000 0.984 101 E CA 1.198 57.608 56.400 0.016 0.000 0.806 101 E CB -0.042 29.674 29.700 0.026 0.000 0.750 101 E HN 0.608 nan 8.360 nan 0.000 0.458 102 D N 0.476 120.836 120.400 -0.067 0.000 2.224 102 D HA -0.118 4.522 4.640 -0.001 0.000 0.205 102 D C 1.863 178.125 176.300 -0.063 0.000 0.965 102 D CA 0.343 54.234 54.000 -0.181 0.000 0.852 102 D CB 0.001 40.410 40.800 -0.652 0.000 0.947 102 D HN 0.245 nan 8.370 nan 0.000 0.494 103 L N 0.732 121.960 121.223 0.007 0.000 2.275 103 L HA -0.152 4.188 4.340 -0.001 0.000 0.215 103 L C 1.774 178.774 176.870 0.216 0.000 1.119 103 L CA 1.325 56.261 54.840 0.159 0.000 0.790 103 L CB -0.380 41.777 42.059 0.164 0.000 0.919 103 L HN -0.020 nan 8.230 nan 0.000 0.443 104 D N -0.356 120.098 120.400 0.091 0.000 2.201 104 D HA -0.037 4.602 4.640 -0.001 0.000 0.209 104 D C 2.161 178.494 176.300 0.055 0.000 0.961 104 D CA 0.996 55.022 54.000 0.042 0.000 0.861 104 D CB 0.347 41.156 40.800 0.016 0.000 0.997 104 D HN 0.151 nan 8.370 nan 0.000 0.486 105 A N -0.067 122.795 122.820 0.070 0.000 2.070 105 A HA -0.083 4.237 4.320 -0.001 0.000 0.220 105 A C 2.123 179.773 177.584 0.110 0.000 1.159 105 A CA 0.988 53.073 52.037 0.080 0.000 0.656 105 A CB -0.502 18.555 19.000 0.095 0.000 0.800 105 A HN 0.295 nan 8.150 nan 0.000 0.453 106 M N -1.243 118.456 119.600 0.165 0.000 2.325 106 M HA 0.028 4.508 4.480 -0.001 0.000 0.265 106 M C 2.531 178.981 176.300 0.250 0.000 1.094 106 M CA 1.077 56.513 55.300 0.228 0.000 1.161 106 M CB -0.308 32.456 32.600 0.274 0.000 1.358 106 M HN 0.409 nan 8.290 nan 0.000 0.446 107 A N 0.723 123.658 122.820 0.191 0.000 2.024 107 A HA -0.056 4.264 4.320 -0.001 0.000 0.220 107 A C 2.309 179.862 177.584 -0.052 0.000 1.164 107 A CA 1.884 53.849 52.037 -0.119 0.000 0.643 107 A CB -0.746 18.043 19.000 -0.351 0.000 0.806 107 A HN 0.492 nan 8.150 nan 0.000 0.451 108 A N -0.240 122.583 122.820 0.005 0.000 1.855 108 A HA -0.143 4.177 4.320 -0.001 0.000 0.215 108 A C 1.937 179.534 177.584 0.021 0.000 1.191 108 A CA 1.548 53.589 52.037 0.006 0.000 0.613 108 A CB -0.517 18.494 19.000 0.019 0.000 0.829 108 A HN 0.587 nan 8.150 nan 0.000 0.442 109 E N -0.433 119.797 120.200 0.051 0.000 2.153 109 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 109 E C 1.958 178.586 176.600 0.048 0.000 0.988 109 E CA 1.127 57.557 56.400 0.050 0.000 0.811 109 E CB -0.170 29.569 29.700 0.066 0.000 0.746 109 E HN 0.390 nan 8.360 nan 0.000 0.466 110 V N 1.110 121.064 119.914 0.067 0.000 2.358 110 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 110 V C 2.292 178.394 176.094 0.014 0.000 1.047 110 V CA 1.777 64.112 62.300 0.058 0.000 1.035 110 V CB -0.605 31.279 31.823 0.100 0.000 0.658 110 V HN 0.314 nan 8.190 nan 0.000 0.452 111 A N 0.148 122.963 122.820 -0.009 0.000 1.902 111 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 111 A C 1.961 179.538 177.584 -0.012 0.000 1.181 111 A CA 1.653 53.676 52.037 -0.023 0.000 0.623 111 A CB -0.609 18.369 19.000 -0.036 0.000 0.818 111 A HN 0.635 nan 8.150 nan 0.000 0.443 112 A N 0.076 122.895 122.820 -0.003 0.000 3.019 112 A HA 0.450 4.770 4.320 -0.001 0.000 0.262 112 A C 1.044 178.629 177.584 0.002 0.000 1.509 112 A CA 0.719 52.756 52.037 -0.001 0.000 1.159 112 A CB -0.877 18.124 19.000 0.002 0.000 1.042 112 A HN 1.066 nan 8.150 nan 0.000 0.641 113 S N -2.982 112.718 115.700 0.000 0.000 2.904 113 S HA 0.438 4.908 4.470 -0.001 0.000 0.260 113 S C 0.985 175.582 174.600 -0.006 0.000 1.000 113 S CA 0.811 59.011 58.200 0.000 0.000 1.274 113 S CB -0.261 62.944 63.200 0.008 0.000 1.196 113 S HN 1.906 nan 8.310 nan 0.000 0.678 114 G N 0.767 109.561 108.800 -0.009 0.000 2.184 114 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.206 114 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.206 114 G C -0.102 174.789 174.900 -0.016 0.000 0.995 114 G CA -0.199 44.893 45.100 -0.013 0.000 0.651 114 G HN 0.989 nan 8.290 nan 0.000 0.511 115 V N 1.437 121.342 119.914 -0.015 0.000 2.488 115 V HA 0.635 4.755 4.120 -0.001 0.000 0.277 115 V C 1.294 177.372 176.094 -0.026 0.000 1.046 115 V CA 0.085 62.373 62.300 -0.019 0.000 0.986 115 V CB 1.513 33.328 31.823 -0.013 0.000 0.989 115 V HN 0.294 nan 8.190 nan 0.000 0.475 116 R N 1.869 122.352 120.500 -0.028 0.000 2.561 116 R HA 0.234 4.574 4.340 -0.001 0.000 0.213 116 R C -0.076 176.205 176.300 -0.033 0.000 0.885 116 R CA 0.528 56.609 56.100 -0.030 0.000 1.002 116 R CB 1.315 31.600 30.300 -0.025 0.000 1.432 116 R HN 0.750 nan 8.270 nan 0.000 0.651 117 T N 0.373 114.909 114.554 -0.029 0.000 2.933 117 T HA 0.414 4.763 4.350 -0.001 0.000 0.305 117 T C -1.090 173.593 174.700 -0.027 0.000 1.092 117 T CA -0.425 61.658 62.100 -0.029 0.000 1.008 117 T CB 3.024 71.878 68.868 -0.024 0.000 1.102 117 T HN -0.231 nan 8.240 nan 0.000 0.469 118 V N 3.397 123.294 119.914 -0.028 0.000 2.334 118 V HA 0.360 4.480 4.120 -0.001 0.000 0.281 118 V C 1.117 177.198 176.094 -0.021 0.000 1.016 118 V CA -0.600 61.685 62.300 -0.024 0.000 0.832 118 V CB 1.218 33.025 31.823 -0.026 0.000 0.999 118 V HN 0.709 nan 8.190 nan 0.000 0.439 119 R N 3.533 124.023 120.500 -0.016 0.000 2.062 119 R HA 0.160 4.500 4.340 -0.001 0.000 0.226 119 R C 1.462 177.759 176.300 -0.005 0.000 1.125 119 R CA 1.309 57.404 56.100 -0.009 0.000 0.966 119 R CB -0.387 29.908 30.300 -0.007 0.000 0.861 119 R HN 0.822 nan 8.270 nan 0.000 0.433 120 G N -0.718 108.081 108.800 -0.003 0.000 2.504 120 G HA2 0.087 4.046 3.960 -0.001 0.000 0.257 120 G HA3 0.087 4.046 3.960 -0.001 0.000 0.257 120 G C -0.614 174.259 174.900 -0.044 0.000 1.451 120 G CA -0.447 44.655 45.100 0.004 0.000 1.059 120 G HN 0.156 nan 8.290 nan 0.000 0.550 121 D N -0.949 119.387 120.400 -0.107 0.000 2.326 121 D HA 0.390 5.029 4.640 -0.001 0.000 0.251 121 D C -0.758 175.304 176.300 -0.397 0.000 1.023 121 D CA -0.309 53.521 54.000 -0.283 0.000 0.966 121 D CB 2.408 42.949 40.800 -0.431 0.000 1.156 121 D HN 0.118 nan 8.370 nan 0.000 0.494 122 L N 1.834 122.834 121.223 -0.372 0.000 2.280 122 L HA 0.338 4.677 4.340 -0.001 0.000 0.287 122 L C -1.618 175.128 176.870 -0.206 0.000 1.023 122 L CA -0.366 54.361 54.840 -0.189 0.000 0.819 122 L CB 0.303 42.355 42.059 -0.013 0.000 1.212 122 L HN 0.267 nan 8.230 nan 0.000 0.420 123 Y N 3.471 123.903 120.300 0.220 0.000 2.468 123 Y HA 0.770 5.319 4.550 -0.001 0.000 0.342 123 Y C 0.286 176.233 175.900 0.079 0.000 1.021 123 Y CA -1.113 57.076 58.100 0.148 0.000 1.079 123 Y CB 2.062 40.601 38.460 0.132 0.000 1.226 123 Y HN 0.722 nan 8.280 nan 0.000 0.460 124 A N 2.001 124.933 122.820 0.186 0.000 2.271 124 A HA 0.419 4.739 4.320 -0.001 0.000 0.317 124 A C -1.418 176.156 177.584 -0.017 0.000 1.245 124 A CA -0.524 51.547 52.037 0.055 0.000 0.857 124 A CB 0.463 19.485 19.000 0.037 0.000 1.175 124 A HN 0.757 nan 8.150 nan 0.000 0.512 125 D N 2.107 122.473 120.400 -0.057 0.000 2.414 125 D HA 0.402 5.042 4.640 -0.001 0.000 0.232 125 D C -0.311 175.940 176.300 -0.081 0.000 1.070 125 D CA -0.333 53.602 54.000 -0.108 0.000 0.839 125 D CB 1.065 41.771 40.800 -0.157 0.000 1.079 125 D HN 0.469 nan 8.370 nan 0.000 0.521 126 D N 1.629 121.991 120.400 -0.064 0.000 2.571 126 D HA -0.036 4.604 4.640 -0.001 0.000 0.239 126 D C 0.838 177.128 176.300 -0.017 0.000 1.267 126 D CA -0.152 53.819 54.000 -0.048 0.000 0.823 126 D CB -0.401 40.384 40.800 -0.025 0.000 1.056 126 D HN 0.325 nan 8.370 nan 0.000 0.494 127 T N -3.700 110.841 114.554 -0.021 0.000 3.228 127 T HA -0.106 4.243 4.350 -0.001 0.000 0.261 127 T C 1.182 175.902 174.700 0.032 0.000 1.171 127 T CA -0.235 61.856 62.100 -0.014 0.000 1.056 127 T CB -0.848 67.987 68.868 -0.055 0.000 0.938 127 T HN 0.368 nan 8.240 nan 0.000 0.539 128 W N 0.891 122.085 121.300 -0.177 0.000 2.436 128 W HA 0.179 4.839 4.660 -0.001 0.000 0.284 128 W C -0.713 175.729 176.519 -0.129 0.000 1.225 128 W CA -0.013 57.202 57.345 -0.217 0.000 1.271 128 W CB 0.150 29.387 29.460 -0.371 0.000 1.114 128 W HN 0.158 nan 8.180 nan 0.000 0.559 129 F N 1.332 121.255 119.950 -0.045 0.000 2.557 129 F HA 0.195 4.722 4.527 -0.001 0.000 0.336 129 F C 0.542 176.247 175.800 -0.158 0.000 1.058 129 F CA -1.943 55.951 58.000 -0.176 0.000 0.988 129 F CB -0.330 38.572 39.000 -0.163 0.000 1.275 129 F HN -0.244 nan 8.300 nan 0.000 0.488 130 D N -1.248 119.163 120.400 0.019 0.000 2.371 130 D HA 0.147 4.787 4.640 -0.001 0.000 0.242 130 D C 0.572 176.868 176.300 -0.007 0.000 1.218 130 D CA -0.185 53.798 54.000 -0.029 0.000 0.945 130 D CB 0.453 41.217 40.800 -0.061 0.000 1.137 130 D HN 0.377 nan 8.370 nan 0.000 0.464 131 S N -1.520 114.180 115.700 0.000 0.000 2.577 131 S HA 0.001 4.470 4.470 -0.001 0.000 0.219 131 S C 0.550 175.173 174.600 0.039 0.000 0.962 131 S CA -0.545 57.665 58.200 0.018 0.000 0.921 131 S CB -0.468 62.736 63.200 0.007 0.000 0.789 131 S HN 0.611 nan 8.310 nan 0.000 0.497 132 E N 1.779 122.012 120.200 0.054 0.000 2.166 132 E HA 0.153 4.503 4.350 -0.001 0.000 0.279 132 E C 0.523 177.254 176.600 0.218 0.000 1.095 132 E CA -0.439 56.034 56.400 0.121 0.000 0.888 132 E CB 0.375 30.169 29.700 0.157 0.000 1.041 132 E HN 0.176 nan 8.360 nan 0.000 0.414 133 R N 3.049 123.654 120.500 0.174 0.000 2.173 133 R HA 0.212 4.552 4.340 -0.001 0.000 0.208 133 R C 0.335 176.802 176.300 0.277 0.000 1.035 133 R CA 0.478 56.696 56.100 0.197 0.000 1.004 133 R CB -0.047 30.332 30.300 0.133 0.000 0.917 133 R HN 0.452 nan 8.270 nan 0.000 0.462 134 L N 0.254 121.526 121.223 0.080 0.000 2.381 134 L HA 0.395 4.735 4.340 -0.001 0.000 0.268 134 L C -0.301 176.071 176.870 -0.829 0.000 0.997 134 L CA -1.062 53.601 54.840 -0.295 0.000 0.818 134 L CB 2.680 44.723 42.059 -0.026 0.000 1.310 134 L HN -0.339 nan 8.230 nan 0.000 0.416 135 V N 1.327 120.149 119.914 -1.820 0.000 2.740 135 V HA -0.055 4.064 4.120 -0.001 0.000 0.303 135 V C 0.635 176.233 176.094 -0.826 0.000 1.054 135 V CA 0.015 61.316 62.300 -1.665 0.000 1.106 135 V CB 0.911 31.509 31.823 -2.042 0.000 0.957 135 V HN 0.937 nan 8.190 nan 0.000 0.486 136 D N 3.367 123.459 120.400 -0.513 0.000 2.126 136 D HA -0.223 4.416 4.640 -0.001 0.000 0.190 136 D C 0.912 177.149 176.300 -0.105 0.000 1.001 136 D CA 1.692 55.549 54.000 -0.239 0.000 0.841 136 D CB -0.436 40.260 40.800 -0.173 0.000 0.949 136 D HN 0.815 nan 8.370 nan 0.000 0.446 137 D N -1.019 119.350 120.400 -0.051 0.000 3.072 137 D HA 0.028 4.668 4.640 -0.001 0.000 0.250 137 D C -0.951 175.603 176.300 0.423 0.000 1.304 137 D CA -0.831 53.252 54.000 0.139 0.000 0.861 137 D CB -0.829 40.042 40.800 0.118 0.000 1.062 137 D HN 0.167 nan 8.370 nan 0.000 0.481 138 W N 0.630 121.983 121.300 0.088 0.000 2.391 138 W HA 0.342 5.002 4.660 -0.001 0.000 0.311 138 W C -0.244 176.448 176.519 0.288 0.000 1.087 138 W CA -1.499 55.951 57.345 0.174 0.000 1.209 138 W CB 0.392 29.895 29.460 0.071 0.000 1.273 138 W HN -0.014 nan 8.180 nan 0.000 0.482 139 W N 5.489 126.906 121.300 0.195 0.000 2.397 139 W HA 0.140 4.799 4.660 -0.001 0.000 0.327 139 W C -1.133 175.462 176.519 0.126 0.000 1.421 139 W CA -1.771 55.651 57.345 0.127 0.000 1.288 139 W CB -0.414 29.104 29.460 0.097 0.000 1.312 139 W HN 0.276 nan 8.180 nan 0.000 0.559 140 P HA -0.239 nan 4.420 nan 0.000 0.216 140 P C 1.406 178.796 177.300 0.151 0.000 1.150 140 P CA 1.965 65.159 63.100 0.156 0.000 0.837 140 P CB 0.222 31.966 31.700 0.073 0.000 0.786 141 E N -0.663 119.657 120.200 0.200 0.000 2.516 141 E HA -0.137 4.212 4.350 -0.001 0.000 0.199 141 E C 0.442 177.205 176.600 0.271 0.000 1.069 141 E CA 0.934 57.455 56.400 0.202 0.000 0.876 141 E CB -0.810 29.021 29.700 0.219 0.000 0.843 141 E HN 0.300 nan 8.360 nan 0.000 0.530 142 D N 1.350 121.929 120.400 0.299 0.000 2.346 142 D HA -0.007 4.632 4.640 -0.001 0.000 0.206 142 D C 1.491 177.814 176.300 0.039 0.000 1.001 142 D CA 0.185 54.380 54.000 0.326 0.000 0.871 142 D CB 0.001 41.018 40.800 0.362 0.000 0.943 142 D HN 0.270 nan 8.370 nan 0.000 0.518 143 E N 0.523 120.721 120.200 -0.003 0.000 2.113 143 E HA -0.201 4.148 4.350 -0.001 0.000 0.210 143 E C -0.909 175.531 176.600 -0.266 0.000 1.040 143 E CA 1.573 57.924 56.400 -0.082 0.000 0.847 143 E CB -0.637 29.052 29.700 -0.017 0.000 0.755 143 E HN 0.268 nan 8.360 nan 0.000 0.459 144 P HA -0.094 nan 4.420 nan 0.000 0.239 144 P C -0.744 176.178 177.300 -0.629 0.000 1.184 144 P CA 1.000 63.749 63.100 -0.586 0.000 0.760 144 P CB -0.077 31.185 31.700 -0.730 0.000 0.884 145 Y N -1.608 118.521 120.300 -0.284 0.000 2.361 145 Y HA 0.505 5.055 4.550 -0.001 0.000 0.332 145 Y C 1.945 177.544 175.900 -0.502 0.000 1.101 145 Y CA -1.187 56.671 58.100 -0.402 0.000 1.137 145 Y CB 0.698 38.861 38.460 -0.496 0.000 1.207 145 Y HN -0.218 nan 8.280 nan 0.000 0.463 146 A N 2.595 125.359 122.820 -0.094 0.000 1.916 146 A HA -0.362 3.958 4.320 -0.001 0.000 0.224 146 A C 1.786 179.323 177.584 -0.078 0.000 1.366 146 A CA 2.825 54.832 52.037 -0.050 0.000 0.692 146 A CB -1.727 17.298 19.000 0.042 0.000 0.841 146 A HN 1.001 nan 8.150 nan 0.000 0.480 147 Y N -1.590 118.717 120.300 0.012 0.000 2.651 147 Y HA 0.192 4.742 4.550 -0.001 0.000 0.296 147 Y C 1.941 177.777 175.900 -0.106 0.000 1.150 147 Y CA 1.102 59.169 58.100 -0.055 0.000 1.348 147 Y CB -0.630 37.768 38.460 -0.103 0.000 0.983 147 Y HN 0.205 nan 8.280 nan 0.000 0.555 148 S N -0.062 115.401 115.700 -0.395 0.000 2.730 148 S HA 0.591 5.060 4.470 -0.001 0.000 0.244 148 S C 0.719 175.322 174.600 0.005 0.000 1.022 148 S CA -0.201 57.853 58.200 -0.244 0.000 1.014 148 S CB -0.802 62.169 63.200 -0.382 0.000 0.963 148 S HN 0.598 nan 8.310 nan 0.000 0.540 149 A N 1.453 124.288 122.820 0.025 0.000 2.466 149 A HA 0.368 4.688 4.320 -0.001 0.000 0.238 149 A C 0.325 178.041 177.584 0.220 0.000 1.074 149 A CA -0.005 52.089 52.037 0.095 0.000 0.774 149 A CB 0.088 19.136 19.000 0.080 0.000 1.015 149 A HN 0.695 nan 8.150 nan 0.000 0.498 150 Q N 0.118 120.032 119.800 0.189 0.000 2.395 150 Q HA 0.220 4.559 4.340 -0.001 0.000 0.271 150 Q C -0.548 175.581 176.000 0.215 0.000 1.026 150 Q CA 0.035 55.968 55.803 0.216 0.000 0.900 150 Q CB 0.530 29.359 28.738 0.151 0.000 1.266 150 Q HN 0.532 nan 8.270 nan 0.000 0.430 151 I N 1.683 122.386 120.570 0.223 0.000 2.312 151 I HA 0.255 4.425 4.170 -0.001 0.000 0.290 151 I C 0.086 176.252 176.117 0.081 0.000 1.008 151 I CA 0.205 61.589 61.300 0.139 0.000 1.226 151 I CB 0.579 38.624 38.000 0.075 0.000 1.371 151 I HN 0.485 nan 8.210 nan 0.000 0.468 152 S N 3.967 119.757 115.700 0.150 0.000 2.661 152 S HA 0.793 5.262 4.470 -0.001 0.000 0.285 152 S C 0.709 175.493 174.600 0.306 0.000 1.138 152 S CA 0.163 58.478 58.200 0.192 0.000 0.855 152 S CB 1.952 65.219 63.200 0.111 0.000 1.136 152 S HN 0.626 nan 8.310 nan 0.000 0.484 153 A N 1.356 124.256 122.820 0.133 0.000 1.903 153 A HA 0.383 4.702 4.320 -0.001 0.000 0.213 153 A C 0.752 178.267 177.584 -0.116 0.000 1.185 153 A CA 0.419 52.327 52.037 -0.216 0.000 0.628 153 A CB -0.436 18.288 19.000 -0.459 0.000 0.830 153 A HN 0.660 nan 8.150 nan 0.000 0.446 154 L N 1.428 122.616 121.223 -0.058 0.000 2.259 154 L HA 0.424 4.764 4.340 -0.001 0.000 0.288 154 L C -0.646 176.224 176.870 0.000 0.000 1.051 154 L CA 0.090 54.900 54.840 -0.049 0.000 0.824 154 L CB 0.944 42.969 42.059 -0.056 0.000 1.206 154 L HN 0.266 nan 8.230 nan 0.000 0.429 155 T N 3.248 117.807 114.554 0.009 0.000 3.193 155 T HA 0.354 4.703 4.350 -0.001 0.000 0.332 155 T C -0.823 173.910 174.700 0.055 0.000 1.208 155 T CA -0.391 61.738 62.100 0.048 0.000 1.080 155 T CB 1.282 70.202 68.868 0.087 0.000 1.180 155 T HN 0.120 nan 8.240 nan 0.000 0.469 156 V N 4.011 123.967 119.914 0.070 0.000 2.530 156 V HA 0.709 4.828 4.120 -0.001 0.000 0.282 156 V C 0.900 177.084 176.094 0.151 0.000 1.048 156 V CA -0.662 61.693 62.300 0.092 0.000 0.997 156 V CB 0.937 32.811 31.823 0.085 0.000 0.987 156 V HN 1.079 nan 8.190 nan 0.000 0.477 157 A N 3.399 126.339 122.820 0.200 0.000 2.274 157 A HA 0.574 4.893 4.320 -0.001 0.000 0.309 157 A C -0.375 177.380 177.584 0.285 0.000 1.226 157 A CA -0.435 51.784 52.037 0.304 0.000 0.853 157 A CB 0.033 19.314 19.000 0.468 0.000 1.146 157 A HN 1.057 nan 8.150 nan 0.000 0.518 158 H N 1.869 121.021 119.070 0.138 0.000 2.487 158 H HA 0.537 5.092 4.556 -0.001 0.000 0.333 158 H C 0.755 176.070 175.328 -0.021 0.000 1.114 158 H CA 1.030 57.113 56.048 0.057 0.000 1.310 158 H CB 0.958 30.744 29.762 0.040 0.000 1.462 158 H HN 1.569 nan 8.280 nan 0.000 0.516 159 G N 3.316 111.671 108.800 -0.742 0.000 2.888 159 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.441 159 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.441 159 G C 0.659 175.232 174.900 -0.546 0.000 1.461 159 G CA 0.121 44.857 45.100 -0.605 0.000 0.897 159 G HN 0.921 nan 8.290 nan 0.000 0.547 160 E N -0.336 119.591 120.200 -0.455 0.000 2.511 160 E HA 0.036 4.386 4.350 -0.001 0.000 0.196 160 E C 1.917 178.278 176.600 -0.398 0.000 1.066 160 E CA 0.621 56.690 56.400 -0.552 0.000 0.871 160 E CB 0.167 29.725 29.700 -0.237 0.000 0.863 160 E HN 0.556 nan 8.360 nan 0.000 0.520 161 R N -0.100 120.197 120.500 -0.339 0.000 2.334 161 R HA 0.157 4.497 4.340 -0.001 0.000 0.216 161 R C -0.487 175.826 176.300 0.022 0.000 0.905 161 R CA -0.157 55.786 56.100 -0.262 0.000 1.064 161 R CB -0.093 29.878 30.300 -0.549 0.000 1.046 161 R HN 0.088 nan 8.270 nan 0.000 0.508 162 F N 1.648 121.673 119.950 0.124 0.000 2.797 162 F HA -0.240 4.286 4.527 -0.001 0.000 0.273 162 F C -0.711 175.197 175.800 0.179 0.000 1.020 162 F CA 0.188 58.314 58.000 0.210 0.000 0.961 162 F CB -1.179 38.025 39.000 0.340 0.000 1.020 162 F HN 0.059 nan 8.300 nan 0.000 0.840 163 D N 1.502 122.035 120.400 0.222 0.000 2.336 163 D HA 0.172 4.811 4.640 -0.001 0.000 0.249 163 D C 0.744 177.154 176.300 0.184 0.000 1.213 163 D CA 0.149 54.232 54.000 0.139 0.000 0.870 163 D CB 1.029 41.889 40.800 0.100 0.000 1.076 163 D HN 0.323 nan 8.370 nan 0.000 0.483 164 T N -1.379 113.275 114.554 0.166 0.000 2.913 164 T HA 0.439 4.789 4.350 -0.001 0.000 0.297 164 T C 1.369 176.149 174.700 0.132 0.000 1.029 164 T CA -0.099 62.109 62.100 0.179 0.000 1.104 164 T CB 1.582 70.573 68.868 0.204 0.000 0.964 164 T HN 0.548 nan 8.240 nan 0.000 0.532 165 G N 0.815 109.691 108.800 0.126 0.000 2.184 165 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.264 165 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.264 165 G C 0.135 175.084 174.900 0.082 0.000 0.975 165 G CA 0.219 45.383 45.100 0.106 0.000 0.642 165 G HN 1.816 nan 8.290 nan 0.000 0.536 166 V N -2.724 117.232 119.914 0.071 0.000 2.919 166 V HA 0.961 5.080 4.120 -0.001 0.000 0.316 166 V C 0.280 176.381 176.094 0.011 0.000 1.077 166 V CA 0.041 62.356 62.300 0.024 0.000 0.977 166 V CB 1.712 33.525 31.823 -0.016 0.000 1.039 166 V HN 0.603 nan 8.190 nan 0.000 0.441 167 T N 0.504 115.044 114.554 -0.023 0.000 2.919 167 T HA 0.469 4.819 4.350 -0.001 0.000 0.282 167 T C -0.753 173.855 174.700 -0.153 0.000 1.020 167 T CA -0.509 61.567 62.100 -0.040 0.000 0.994 167 T CB 1.706 70.589 68.868 0.025 0.000 1.180 167 T HN 1.017 nan 8.240 nan 0.000 0.566 168 E N 1.347 121.462 120.200 -0.142 0.000 2.165 168 E HA 0.530 4.880 4.350 -0.001 0.000 0.266 168 E C -1.309 175.263 176.600 -0.048 0.000 0.889 168 E CA -0.685 55.623 56.400 -0.154 0.000 0.756 168 E CB 1.289 30.895 29.700 -0.156 0.000 1.131 168 E HN 0.421 nan 8.360 nan 0.000 0.411 169 V N 3.129 123.020 119.914 -0.037 0.000 2.407 169 V HA 0.318 4.438 4.120 -0.001 0.000 0.278 169 V C -0.170 175.923 176.094 -0.001 0.000 1.037 169 V CA -0.650 61.643 62.300 -0.011 0.000 0.900 169 V CB 1.482 33.300 31.823 -0.009 0.000 0.983 169 V HN 0.584 nan 8.190 nan 0.000 0.459 170 S N 3.758 119.462 115.700 0.008 0.000 2.530 170 S HA 0.594 5.064 4.470 -0.001 0.000 0.322 170 S C -0.388 174.219 174.600 0.011 0.000 1.085 170 S CA -0.571 57.636 58.200 0.012 0.000 1.096 170 S CB 1.565 64.776 63.200 0.017 0.000 0.988 170 S HN 0.483 nan 8.310 nan 0.000 0.466 171 V N 3.634 123.555 119.914 0.011 0.000 2.334 171 V HA 0.464 4.584 4.120 -0.001 0.000 0.281 171 V C -0.036 176.064 176.094 0.010 0.000 1.016 171 V CA -0.518 61.788 62.300 0.010 0.000 0.832 171 V CB 1.234 33.063 31.823 0.010 0.000 0.999 171 V HN 0.851 nan 8.190 nan 0.000 0.439 172 T N 7.771 122.332 114.554 0.010 0.000 2.770 172 T HA 0.451 4.800 4.350 -0.001 0.000 0.283 172 T C -2.556 172.149 174.700 0.009 0.000 0.988 172 T CA -1.188 60.918 62.100 0.010 0.000 0.957 172 T CB 1.951 70.825 68.868 0.011 0.000 0.930 172 T HN 0.462 nan 8.240 nan 0.000 0.443 173 P HA 0.375 nan 4.420 nan 0.000 0.272 173 P C -0.286 177.018 177.300 0.007 0.000 1.223 173 P CA -0.253 62.851 63.100 0.007 0.000 0.784 173 P CB 1.046 32.750 31.700 0.007 0.000 0.923 174 A N 2.397 125.221 122.820 0.006 0.000 3.078 174 A HA 0.761 5.081 4.320 -0.001 0.000 0.206 174 A C 0.061 177.648 177.584 0.005 0.000 1.967 174 A CA 0.350 52.390 52.037 0.006 0.000 1.845 174 A CB -0.368 18.635 19.000 0.005 0.000 1.345 174 A HN 0.616 nan 8.150 nan 0.000 0.393 175 A N -0.226 122.597 122.820 0.005 0.000 2.393 175 A HA 0.568 4.887 4.320 -0.001 0.000 0.306 175 A C -0.374 177.212 177.584 0.004 0.000 1.050 175 A CA -0.392 51.647 52.037 0.004 0.000 0.724 175 A CB 0.625 19.627 19.000 0.004 0.000 1.248 175 A HN 0.612 nan 8.150 nan 0.000 0.424 176 E N 0.933 121.135 120.200 0.004 0.000 2.966 176 E HA 0.159 4.509 4.350 -0.001 0.000 0.254 176 E C 1.259 177.861 176.600 0.003 0.000 0.923 176 E CA 1.760 58.162 56.400 0.004 0.000 0.960 176 E CB -0.050 29.652 29.700 0.003 0.000 0.901 176 E HN 1.723 nan 8.360 nan 0.000 0.525 177 G N 4.035 112.837 108.800 0.003 0.000 2.284 177 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 177 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 177 G C 0.020 174.921 174.900 0.003 0.000 1.009 177 G CA 0.145 45.247 45.100 0.003 0.000 0.625 177 G HN 0.584 nan 8.290 nan 0.000 0.501 178 E N 2.044 122.246 120.200 0.003 0.000 2.313 178 E HA 0.477 4.826 4.350 -0.001 0.000 0.272 178 E C -2.299 174.303 176.600 0.004 0.000 1.038 178 E CA -1.856 54.546 56.400 0.004 0.000 0.863 178 E CB 1.045 30.747 29.700 0.004 0.000 1.060 178 E HN 0.141 nan 8.360 nan 0.000 0.402 179 P HA -0.100 nan 4.420 nan 0.000 0.266 179 P C -0.980 176.323 177.300 0.005 0.000 1.193 179 P CA 0.311 63.413 63.100 0.004 0.000 0.770 179 P CB 0.516 32.218 31.700 0.004 0.000 0.836 180 A N 2.102 124.925 122.820 0.005 0.000 2.296 180 A HA 0.254 4.573 4.320 -0.001 0.000 0.264 180 A C 0.028 177.616 177.584 0.006 0.000 1.097 180 A CA -0.004 52.036 52.037 0.006 0.000 0.811 180 A CB -0.140 18.864 19.000 0.006 0.000 1.072 180 A HN 0.521 nan 8.150 nan 0.000 0.495 181 D N -0.008 120.397 120.400 0.007 0.000 2.454 181 D HA 0.442 5.081 4.640 -0.001 0.000 0.225 181 D C -0.899 175.406 176.300 0.009 0.000 1.081 181 D CA -0.125 53.880 54.000 0.008 0.000 0.864 181 D CB 0.718 41.523 40.800 0.009 0.000 1.040 181 D HN 0.196 nan 8.370 nan 0.000 0.517 182 V N 3.547 123.466 119.914 0.008 0.000 2.465 182 V HA 0.337 4.456 4.120 -0.001 0.000 0.279 182 V C -0.012 176.089 176.094 0.011 0.000 1.045 182 V CA -0.567 61.738 62.300 0.008 0.000 0.938 182 V CB 1.519 33.344 31.823 0.004 0.000 0.986 182 V HN 0.537 nan 8.190 nan 0.000 0.467 183 D N 3.721 124.129 120.400 0.013 0.000 2.440 183 D HA 0.388 5.028 4.640 -0.001 0.000 0.252 183 D C 0.441 176.753 176.300 0.020 0.000 1.180 183 D CA -0.512 53.499 54.000 0.019 0.000 0.894 183 D CB 1.471 42.284 40.800 0.022 0.000 1.111 183 D HN 0.267 nan 8.370 nan 0.000 0.544 184 L N 2.906 124.143 121.223 0.023 0.000 2.549 184 L HA 0.229 4.568 4.340 -0.001 0.000 0.229 184 L C 1.974 178.866 176.870 0.038 0.000 1.158 184 L CA 0.958 55.812 54.840 0.024 0.000 0.842 184 L CB -1.097 40.977 42.059 0.025 0.000 0.952 184 L HN 0.710 nan 8.230 nan 0.000 0.452 185 G N 0.046 108.873 108.800 0.045 0.000 2.561 185 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.289 185 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.289 185 G C 0.979 175.930 174.900 0.085 0.000 1.169 185 G CA 0.627 45.762 45.100 0.059 0.000 0.980 185 G HN 0.464 nan 8.290 nan 0.000 0.550 186 A N 0.142 123.020 122.820 0.097 0.000 2.172 186 A HA 0.502 4.822 4.320 -0.001 0.000 0.216 186 A C 2.376 180.058 177.584 0.164 0.000 1.154 186 A CA 2.226 54.337 52.037 0.123 0.000 0.701 186 A CB -0.516 18.559 19.000 0.124 0.000 0.789 186 A HN 2.225 nan 8.150 nan 0.000 0.465 187 A N -0.289 122.621 122.820 0.150 0.000 2.462 187 A HA 0.289 4.608 4.320 -0.001 0.000 0.261 187 A C 0.280 177.956 177.584 0.155 0.000 1.323 187 A CA -0.306 51.849 52.037 0.196 0.000 0.913 187 A CB -0.076 19.017 19.000 0.155 0.000 1.028 187 A HN 0.319 nan 8.150 nan 0.000 0.511 188 E N -0.189 120.110 120.200 0.165 0.000 2.316 188 E HA 0.348 4.697 4.350 -0.001 0.000 0.275 188 E C 1.093 177.813 176.600 0.201 0.000 1.029 188 E CA 0.879 57.364 56.400 0.143 0.000 0.871 188 E CB 0.922 30.697 29.700 0.125 0.000 1.022 188 E HN 0.675 nan 8.360 nan 0.000 0.418 189 G N 3.188 112.051 108.800 0.104 0.000 2.168 189 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.263 189 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.263 189 G C 0.396 175.245 174.900 -0.085 0.000 0.977 189 G CA 0.951 46.106 45.100 0.092 0.000 0.659 189 G HN 0.612 nan 8.290 nan 0.000 0.533 190 Y N 0.161 120.253 120.300 -0.348 0.000 2.972 190 Y HA 0.708 5.258 4.550 -0.001 0.000 0.229 190 Y C 1.700 177.485 175.900 -0.192 0.000 0.980 190 Y CA 1.256 59.084 58.100 -0.453 0.000 1.475 190 Y CB -0.229 37.851 38.460 -0.634 0.000 1.459 190 Y HN 0.662 nan 8.280 nan 0.000 0.460 191 A N 1.785 124.408 122.820 -0.329 0.000 2.332 191 A HA 0.360 4.679 4.320 -0.001 0.000 0.258 191 A C -0.260 177.210 177.584 -0.190 0.000 1.087 191 A CA -0.453 51.374 52.037 -0.349 0.000 0.802 191 A CB 0.001 18.889 19.000 -0.187 0.000 1.042 191 A HN 0.416 nan 8.150 nan 0.000 0.489 192 E N -0.049 120.050 120.200 -0.168 0.000 2.301 192 E HA 0.321 4.670 4.350 -0.001 0.000 0.275 192 E C -1.070 175.488 176.600 -0.069 0.000 1.030 192 E CA -0.491 55.847 56.400 -0.104 0.000 0.852 192 E CB 1.610 31.253 29.700 -0.096 0.000 1.060 192 E HN 0.459 nan 8.360 nan 0.000 0.401 193 L N 3.074 124.270 121.223 -0.045 0.000 2.264 193 L HA 0.305 4.645 4.340 -0.001 0.000 0.289 193 L C -0.682 176.172 176.870 -0.026 0.000 1.044 193 L CA -0.053 54.769 54.840 -0.030 0.000 0.807 193 L CB 0.942 42.991 42.059 -0.017 0.000 1.192 193 L HN 0.204 nan 8.230 nan 0.000 0.425 194 D N 3.614 124.000 120.400 -0.025 0.000 2.420 194 D HA 0.256 4.896 4.640 -0.001 0.000 0.255 194 D C -1.386 174.907 176.300 -0.013 0.000 1.185 194 D CA -0.248 53.741 54.000 -0.019 0.000 0.904 194 D CB 0.685 41.472 40.800 -0.022 0.000 1.102 194 D HN 0.528 nan 8.370 nan 0.000 0.534 195 N N 2.088 120.783 118.700 -0.009 0.000 2.407 195 N HA 0.350 5.090 4.740 -0.001 0.000 0.277 195 N C -0.089 175.419 175.510 -0.003 0.000 0.995 195 N CA -0.480 52.567 53.050 -0.004 0.000 0.903 195 N CB 0.878 39.363 38.487 -0.002 0.000 1.218 195 N HN 0.285 nan 8.380 nan 0.000 0.487 196 R N 2.264 122.764 120.500 -0.001 0.000 2.563 196 R HA 0.377 4.717 4.340 -0.001 0.000 0.443 196 R C -0.664 175.637 176.300 0.002 0.000 0.956 196 R CA -0.566 55.534 56.100 0.000 0.000 1.141 196 R CB -0.473 29.826 30.300 -0.001 0.000 1.553 196 R HN 0.343 nan 8.270 nan 0.000 0.577 197 A N 1.333 124.155 122.820 0.003 0.000 2.454 197 A HA 0.432 4.751 4.320 -0.001 0.000 0.260 197 A C 0.091 177.678 177.584 0.004 0.000 1.106 197 A CA -0.241 51.799 52.037 0.005 0.000 0.780 197 A CB 0.861 19.865 19.000 0.006 0.000 1.044 197 A HN 0.170 nan 8.150 nan 0.000 0.498 198 V N 2.740 122.657 119.914 0.005 0.000 2.881 198 V HA 0.571 4.690 4.120 -0.001 0.000 0.316 198 V C 0.392 176.489 176.094 0.005 0.000 1.070 198 V CA -0.380 61.923 62.300 0.004 0.000 0.976 198 V CB 2.287 34.112 31.823 0.004 0.000 1.038 198 V HN 0.956 nan 8.190 nan 0.000 0.446 199 T N 4.571 119.127 114.554 0.005 0.000 2.780 199 T HA 0.558 4.907 4.350 -0.001 0.000 0.294 199 T C 0.294 174.996 174.700 0.004 0.000 0.949 199 T CA 0.276 62.379 62.100 0.005 0.000 1.074 199 T CB 1.020 69.891 68.868 0.005 0.000 0.910 199 T HN 1.020 nan 8.240 nan 0.000 0.501 200 G N 1.149 109.952 108.800 0.005 0.000 2.557 200 G HA2 0.666 4.625 3.960 -0.001 0.000 0.302 200 G HA3 0.666 4.625 3.960 -0.001 0.000 0.302 200 G C -0.123 174.779 174.900 0.004 0.000 1.311 200 G CA -0.876 44.227 45.100 0.004 0.000 1.030 200 G HN 0.958 nan 8.290 nan 0.000 0.509 201 A N -0.786 122.036 122.820 0.004 0.000 2.346 201 A HA 0.632 4.952 4.320 -0.001 0.000 0.252 201 A C 0.995 178.581 177.584 0.003 0.000 1.089 201 A CA 0.372 52.411 52.037 0.003 0.000 0.797 201 A CB -0.122 18.880 19.000 0.003 0.000 1.047 201 A HN 1.889 nan 8.150 nan 0.000 0.494 202 A N -0.208 122.613 122.820 0.003 0.000 2.524 202 A HA 0.473 4.792 4.320 -0.001 0.000 0.250 202 A C 1.528 179.114 177.584 0.003 0.000 1.078 202 A CA 0.698 52.736 52.037 0.003 0.000 0.761 202 A CB -1.111 17.891 19.000 0.003 0.000 1.012 202 A HN 2.739 nan 8.150 nan 0.000 0.500 203 G N 2.157 110.959 108.800 0.003 0.000 2.168 203 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.257 203 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.257 203 G C 0.642 175.544 174.900 0.003 0.000 0.997 203 G CA 1.101 46.203 45.100 0.003 0.000 0.708 203 G HN 2.001 nan 8.290 nan 0.000 0.520 204 S N -0.337 115.365 115.700 0.003 0.000 2.596 204 S HA 0.744 5.214 4.470 -0.001 0.000 0.262 204 S C 0.998 175.600 174.600 0.004 0.000 1.218 204 S CA 0.297 58.499 58.200 0.003 0.000 0.998 204 S CB 1.051 64.253 63.200 0.003 0.000 1.060 204 S HN 1.895 nan 8.310 nan 0.000 0.552 205 A N 1.520 124.342 122.820 0.004 0.000 2.484 205 A HA 0.263 4.583 4.320 -0.001 0.000 0.268 205 A C 0.352 177.939 177.584 0.005 0.000 1.114 205 A CA -0.353 51.686 52.037 0.004 0.000 0.780 205 A CB -0.963 18.040 19.000 0.005 0.000 1.061 205 A HN 0.677 nan 8.150 nan 0.000 0.505 206 N N 2.827 121.530 118.700 0.005 0.000 2.555 206 N HA 0.106 4.846 4.740 -0.001 0.000 0.244 206 N C 0.465 175.979 175.510 0.008 0.000 1.114 206 N CA 0.547 53.600 53.050 0.006 0.000 0.963 206 N CB 0.376 38.866 38.487 0.005 0.000 1.276 206 N HN 0.617 nan 8.380 nan 0.000 0.510 207 T N 1.123 115.682 114.554 0.009 0.000 3.308 207 T HA 0.190 4.539 4.350 -0.001 0.000 0.270 207 T C 0.261 174.969 174.700 0.014 0.000 0.992 207 T CA -0.662 61.445 62.100 0.011 0.000 0.931 207 T CB -0.432 68.442 68.868 0.010 0.000 1.142 207 T HN 0.188 nan 8.240 nan 0.000 0.525 208 L N 2.270 123.502 121.223 0.014 0.000 2.361 208 L HA 0.586 4.926 4.340 -0.001 0.000 0.278 208 L C -0.735 176.149 176.870 0.024 0.000 1.113 208 L CA -0.137 54.712 54.840 0.017 0.000 0.849 208 L CB 0.785 42.853 42.059 0.015 0.000 1.155 208 L HN 0.210 nan 8.230 nan 0.000 0.452 209 V N 7.246 127.175 119.914 0.025 0.000 2.443 209 V HA 0.426 4.546 4.120 -0.001 0.000 0.293 209 V C -0.123 175.990 176.094 0.031 0.000 1.021 209 V CA -0.440 61.881 62.300 0.035 0.000 0.848 209 V CB 1.608 33.453 31.823 0.035 0.000 0.998 209 V HN 0.588 nan 8.190 nan 0.000 0.424 210 I N 4.192 124.788 120.570 0.043 0.000 2.330 210 I HA 0.576 4.746 4.170 -0.001 0.000 0.289 210 I C -0.620 175.512 176.117 0.026 0.000 1.001 210 I CA -0.076 61.241 61.300 0.029 0.000 1.193 210 I CB 1.441 39.459 38.000 0.031 0.000 1.345 210 I HN 0.493 nan 8.210 nan 0.000 0.461 211 D N 4.307 124.700 120.400 -0.011 0.000 2.732 211 D HA 0.340 4.980 4.640 -0.001 0.000 0.229 211 D C -0.794 175.458 176.300 -0.079 0.000 1.152 211 D CA -0.769 53.203 54.000 -0.048 0.000 0.854 211 D CB 2.113 42.900 40.800 -0.021 0.000 1.590 211 D HN 0.400 nan 8.370 nan 0.000 0.468 212 R N 3.410 123.832 120.500 -0.131 0.000 2.278 212 R HA 0.447 4.787 4.340 -0.001 0.000 0.322 212 R C -2.371 173.869 176.300 -0.099 0.000 1.058 212 R CA -1.635 54.396 56.100 -0.115 0.000 0.991 212 R CB 0.701 30.920 30.300 -0.136 0.000 1.140 212 R HN 0.204 nan 8.270 nan 0.000 0.518 213 P HA -0.158 nan 4.420 nan 0.000 0.265 213 P C -0.285 176.988 177.300 -0.046 0.000 1.187 213 P CA -0.083 62.988 63.100 -0.048 0.000 0.766 213 P CB 0.623 32.301 31.700 -0.038 0.000 0.820 214 V N 4.063 123.958 119.914 -0.033 0.000 2.644 214 V HA 0.155 4.274 4.120 -0.001 0.000 0.305 214 V C 1.394 177.475 176.094 -0.021 0.000 1.053 214 V CA 1.852 64.138 62.300 -0.023 0.000 1.186 214 V CB -0.719 31.099 31.823 -0.009 0.000 0.895 214 V HN 1.000 nan 8.190 nan 0.000 0.490 215 G N 3.835 112.624 108.800 -0.018 0.000 2.221 215 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.265 215 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.265 215 G C 0.161 175.046 174.900 -0.025 0.000 1.041 215 G CA 0.783 45.874 45.100 -0.015 0.000 0.807 215 G HN 1.711 nan 8.290 nan 0.000 0.502 216 T N -3.872 110.660 114.554 -0.037 0.000 2.838 216 T HA 0.655 5.004 4.350 -0.001 0.000 0.292 216 T C -0.195 174.461 174.700 -0.072 0.000 1.113 216 T CA -0.556 61.513 62.100 -0.052 0.000 1.008 216 T CB 2.126 70.963 68.868 -0.053 0.000 1.259 216 T HN 0.047 nan 8.240 nan 0.000 0.520 217 N N 0.426 119.066 118.700 -0.101 0.000 2.610 217 N HA 0.333 5.073 4.740 -0.001 0.000 0.309 217 N C -1.083 174.333 175.510 -0.156 0.000 1.536 217 N CA -0.214 52.745 53.050 -0.152 0.000 0.954 217 N CB 0.353 38.696 38.487 -0.241 0.000 1.310 217 N HN 0.684 nan 8.380 nan 0.000 0.502 218 T N 0.880 115.369 114.554 -0.108 0.000 2.823 218 T HA 0.442 4.792 4.350 -0.001 0.000 0.279 218 T C 0.079 174.733 174.700 -0.077 0.000 0.998 218 T CA -0.445 61.601 62.100 -0.090 0.000 0.994 218 T CB 1.468 70.296 68.868 -0.067 0.000 0.960 218 T HN -0.036 nan 8.240 nan 0.000 0.448 219 I N 3.112 123.642 120.570 -0.067 0.000 2.306 219 I HA 0.442 4.611 4.170 -0.001 0.000 0.288 219 I C 0.462 176.557 176.117 -0.037 0.000 1.036 219 I CA -0.925 60.344 61.300 -0.052 0.000 1.221 219 I CB 0.319 38.293 38.000 -0.043 0.000 1.385 219 I HN 0.674 nan 8.210 nan 0.000 0.472 220 A N 7.494 130.294 122.820 -0.034 0.000 2.260 220 A HA 0.673 4.993 4.320 -0.001 0.000 0.308 220 A C -0.262 177.315 177.584 -0.012 0.000 1.254 220 A CA -0.446 51.577 52.037 -0.022 0.000 0.874 220 A CB 0.645 19.632 19.000 -0.022 0.000 1.153 220 A HN 0.443 nan 8.150 nan 0.000 0.527 221 V N 2.937 122.847 119.914 -0.007 0.000 2.384 221 V HA 0.711 4.831 4.120 -0.001 0.000 0.287 221 V C 0.283 176.379 176.094 0.002 0.000 1.020 221 V CA -0.239 62.061 62.300 0.000 0.000 0.850 221 V CB 0.921 32.745 31.823 0.001 0.000 0.987 221 V HN 1.035 nan 8.190 nan 0.000 0.436 222 T N 0.766 115.324 114.554 0.007 0.000 2.906 222 T HA 0.958 5.308 4.350 -0.001 0.000 0.295 222 T C 0.156 174.862 174.700 0.010 0.000 1.075 222 T CA -0.054 62.050 62.100 0.008 0.000 1.005 222 T CB 1.933 70.806 68.868 0.008 0.000 1.136 222 T HN 1.938 nan 8.240 nan 0.000 0.498 223 G N 0.574 109.379 108.800 0.009 0.000 2.472 223 G HA2 0.263 4.223 3.960 -0.001 0.000 0.205 223 G HA3 0.263 4.223 3.960 -0.001 0.000 0.205 223 G C -0.461 174.444 174.900 0.008 0.000 1.270 223 G CA -0.201 44.904 45.100 0.009 0.000 0.974 223 G HN 1.507 nan 8.290 nan 0.000 0.542 224 S N -1.337 114.368 115.700 0.008 0.000 2.548 224 S HA 0.775 5.245 4.470 -0.001 0.000 0.286 224 S C -1.406 173.198 174.600 0.007 0.000 1.098 224 S CA -0.219 57.985 58.200 0.007 0.000 0.930 224 S CB 1.541 64.744 63.200 0.006 0.000 1.070 224 S HN 1.754 nan 8.310 nan 0.000 0.480 225 L N 5.171 126.398 121.223 0.007 0.000 2.439 225 L HA 0.676 5.016 4.340 -0.001 0.000 0.270 225 L C -2.574 174.299 176.870 0.006 0.000 0.972 225 L CA -1.686 53.158 54.840 0.007 0.000 0.836 225 L CB 2.281 44.344 42.059 0.007 0.000 1.255 225 L HN 0.430 nan 8.230 nan 0.000 0.404 226 P HA 0.152 nan 4.420 nan 0.000 0.271 226 P C 0.017 177.320 177.300 0.005 0.000 1.218 226 P CA -0.164 62.939 63.100 0.005 0.000 0.780 226 P CB 1.235 32.938 31.700 0.004 0.000 0.901 227 A N 3.724 126.547 122.820 0.005 0.000 1.908 227 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 227 A C 1.561 179.148 177.584 0.005 0.000 1.181 227 A CA 2.052 54.092 52.037 0.005 0.000 0.627 227 A CB -1.308 17.694 19.000 0.004 0.000 0.818 227 A HN 0.636 nan 8.150 nan 0.000 0.445 228 D N 0.363 120.765 120.400 0.004 0.000 2.378 228 D HA 0.223 4.863 4.640 -0.001 0.000 0.227 228 D C 0.704 177.007 176.300 0.004 0.000 1.012 228 D CA 0.637 54.640 54.000 0.004 0.000 0.905 228 D CB -0.642 40.160 40.800 0.003 0.000 0.895 228 D HN 0.400 nan 8.370 nan 0.000 0.532 229 A N 0.363 123.186 122.820 0.005 0.000 2.425 229 A HA 0.545 4.864 4.320 -0.001 0.000 0.249 229 A C 0.534 178.121 177.584 0.006 0.000 1.084 229 A CA -0.105 51.935 52.037 0.005 0.000 0.781 229 A CB 0.357 19.360 19.000 0.005 0.000 1.019 229 A HN 0.344 nan 8.150 nan 0.000 0.490 230 A N 4.233 127.057 122.820 0.006 0.000 2.401 230 A HA 0.578 4.897 4.320 -0.001 0.000 0.259 230 A C -1.787 175.801 177.584 0.008 0.000 1.103 230 A CA -1.239 50.802 52.037 0.007 0.000 0.789 230 A CB -0.554 18.450 19.000 0.007 0.000 1.035 230 A HN 0.747 nan 8.150 nan 0.000 0.491 231 P HA 0.114 nan 4.420 nan 0.000 0.265 231 P C -0.574 176.732 177.300 0.011 0.000 1.187 231 P CA 0.058 63.164 63.100 0.010 0.000 0.766 231 P CB 0.386 32.093 31.700 0.011 0.000 0.820 232 V N 3.506 123.427 119.914 0.011 0.000 2.439 232 V HA 0.390 4.509 4.120 -0.001 0.000 0.282 232 V C 0.595 176.696 176.094 0.012 0.000 1.039 232 V CA -0.005 62.302 62.300 0.011 0.000 0.913 232 V CB 1.316 33.146 31.823 0.012 0.000 0.983 232 V HN 0.828 nan 8.190 nan 0.000 0.460 233 T N 2.118 116.678 114.554 0.011 0.000 2.881 233 T HA 0.870 5.220 4.350 -0.001 0.000 0.291 233 T C -0.608 174.095 174.700 0.004 0.000 0.990 233 T CA -0.484 61.621 62.100 0.009 0.000 0.976 233 T CB 1.739 70.615 68.868 0.014 0.000 0.970 233 T HN 1.020 nan 8.240 nan 0.000 0.438 234 A N 3.488 126.307 122.820 -0.002 0.000 2.539 234 A HA 0.811 5.131 4.320 -0.001 0.000 0.296 234 A C -0.854 176.715 177.584 -0.025 0.000 1.073 234 A CA -1.121 50.917 52.037 0.001 0.000 0.700 234 A CB 1.331 20.350 19.000 0.031 0.000 1.296 234 A HN 0.917 nan 8.150 nan 0.000 0.405 235 L N 1.994 123.201 121.223 -0.027 0.000 2.305 235 L HA 0.561 4.901 4.340 -0.001 0.000 0.281 235 L C 0.238 177.100 176.870 -0.014 0.000 1.085 235 L CA -0.475 54.328 54.840 -0.063 0.000 0.813 235 L CB 0.608 42.621 42.059 -0.076 0.000 1.157 235 L HN 0.593 nan 8.230 nan 0.000 0.436 236 R N 0.984 121.458 120.500 -0.045 0.000 2.744 236 R HA 0.461 4.801 4.340 -0.001 0.000 0.279 236 R C -0.449 175.816 176.300 -0.058 0.000 0.977 236 R CA -0.701 55.364 56.100 -0.057 0.000 0.906 236 R CB 2.266 32.530 30.300 -0.060 0.000 1.197 236 R HN 0.717 nan 8.270 nan 0.000 0.463 237 T N -1.703 112.801 114.554 -0.084 0.000 2.913 237 T HA 0.510 4.860 4.350 -0.001 0.000 0.287 237 T C 0.624 175.309 174.700 -0.024 0.000 1.008 237 T CA -0.645 61.429 62.100 -0.043 0.000 1.067 237 T CB 1.133 69.966 68.868 -0.059 0.000 0.996 237 T HN 0.361 nan 8.240 nan 0.000 0.513 238 V N -0.685 119.247 119.914 0.030 0.000 2.919 238 V HA 0.631 4.751 4.120 -0.001 0.000 0.316 238 V C -0.471 175.660 176.094 0.061 0.000 1.077 238 V CA -1.244 61.085 62.300 0.048 0.000 0.977 238 V CB 1.591 33.507 31.823 0.154 0.000 1.039 238 V HN 0.944 nan 8.190 nan 0.000 0.441 239 D N 2.442 122.860 120.400 0.030 0.000 2.336 239 D HA 0.284 4.923 4.640 -0.001 0.000 0.249 239 D C -0.258 176.114 176.300 0.121 0.000 1.213 239 D CA 0.690 54.717 54.000 0.046 0.000 0.870 239 D CB -0.067 40.730 40.800 -0.006 0.000 1.076 239 D HN 0.769 nan 8.370 nan 0.000 0.483 240 E N 2.952 123.226 120.200 0.124 0.000 4.670 240 E HA -0.108 4.241 4.350 -0.001 0.000 0.176 240 E C -2.055 174.637 176.600 0.153 0.000 1.332 240 E CA -0.071 56.412 56.400 0.139 0.000 1.078 240 E CB -0.982 28.807 29.700 0.148 0.000 1.040 240 E HN 0.438 nan 8.360 nan 0.000 0.376 241 P HA -0.238 nan 4.420 nan 0.000 0.215 241 P C 1.433 178.767 177.300 0.056 0.000 1.157 241 P CA 2.471 65.630 63.100 0.098 0.000 0.874 241 P CB 0.162 31.921 31.700 0.098 0.000 0.790 242 A N 0.264 123.113 122.820 0.049 0.000 1.859 242 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 242 A C 2.392 179.973 177.584 -0.004 0.000 1.198 242 A CA 2.653 54.701 52.037 0.018 0.000 0.629 242 A CB -1.760 17.252 19.000 0.020 0.000 0.830 242 A HN 0.204 nan 8.150 nan 0.000 0.446 243 A N -0.897 121.935 122.820 0.020 0.000 2.024 243 A HA -0.061 4.259 4.320 -0.001 0.000 0.220 243 A C 2.126 179.525 177.584 -0.308 0.000 1.164 243 A CA 1.833 53.858 52.037 -0.020 0.000 0.643 243 A CB -0.600 18.481 19.000 0.134 0.000 0.806 243 A HN 0.786 nan 8.150 nan 0.000 0.451 244 L N -0.340 120.675 121.223 -0.346 0.000 2.005 244 L HA -0.021 4.319 4.340 -0.001 0.000 0.207 244 L C 2.674 179.435 176.870 -0.181 0.000 1.072 244 L CA 2.267 56.816 54.840 -0.486 0.000 0.744 244 L CB -0.903 41.077 42.059 -0.132 0.000 0.895 244 L HN 0.312 nan 8.230 nan 0.000 0.433 245 A N -0.254 122.524 122.820 -0.071 0.000 1.917 245 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 245 A C 2.338 179.927 177.584 0.008 0.000 1.182 245 A CA 1.857 53.884 52.037 -0.018 0.000 0.633 245 A CB -1.765 17.220 19.000 -0.024 0.000 0.819 245 A HN 0.578 nan 8.150 nan 0.000 0.448 246 G N -0.924 107.874 108.800 -0.005 0.000 2.628 246 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.217 246 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.217 246 G C 1.452 176.394 174.900 0.070 0.000 1.240 246 G CA 1.697 46.828 45.100 0.050 0.000 0.792 246 G HN 0.772 nan 8.290 nan 0.000 0.593 247 H N 0.606 119.606 119.070 -0.118 0.000 2.362 247 H HA -0.046 4.510 4.556 -0.001 0.000 0.294 247 H C 2.483 177.789 175.328 -0.036 0.000 1.113 247 H CA 1.882 57.863 56.048 -0.112 0.000 1.253 247 H CB -0.294 29.294 29.762 -0.289 0.000 1.363 247 H HN 0.306 nan 8.280 nan 0.000 0.494 248 L N -1.338 119.860 121.223 -0.042 0.000 2.217 248 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 248 L C 1.942 178.830 176.870 0.029 0.000 1.107 248 L CA 0.468 55.284 54.840 -0.040 0.000 0.783 248 L CB -0.304 41.777 42.059 0.036 0.000 0.919 248 L HN 0.265 nan 8.230 nan 0.000 0.442 249 F N 1.356 121.252 119.950 -0.091 0.000 2.187 249 F HA -0.179 4.347 4.527 -0.001 0.000 0.295 249 F C 2.484 178.234 175.800 -0.083 0.000 1.091 249 F CA 1.590 59.549 58.000 -0.068 0.000 1.308 249 F CB -0.126 38.851 39.000 -0.039 0.000 1.030 249 F HN 0.091 nan 8.300 nan 0.000 0.487 250 E N 0.612 120.787 120.200 -0.042 0.000 2.108 250 E HA -0.293 4.057 4.350 -0.001 0.000 0.203 250 E C 1.933 178.410 176.600 -0.206 0.000 1.022 250 E CA 2.405 58.723 56.400 -0.136 0.000 0.823 250 E CB -0.502 29.134 29.700 -0.106 0.000 0.744 250 E HN 0.574 nan 8.360 nan 0.000 0.456 251 E N -0.571 119.487 120.200 -0.236 0.000 2.150 251 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 251 E C 1.986 178.483 176.600 -0.172 0.000 0.985 251 E CA 0.769 57.045 56.400 -0.206 0.000 0.814 251 E CB -0.126 29.442 29.700 -0.220 0.000 0.752 251 E HN 0.467 nan 8.360 nan 0.000 0.466 252 A N 0.864 123.561 122.820 -0.204 0.000 1.898 252 A HA -0.064 4.256 4.320 -0.001 0.000 0.214 252 A C 2.122 179.530 177.584 -0.293 0.000 1.183 252 A CA 0.617 52.525 52.037 -0.216 0.000 0.622 252 A CB -0.402 18.480 19.000 -0.196 0.000 0.824 252 A HN 0.099 nan 8.150 nan 0.000 0.444 253 L N -0.918 120.048 121.223 -0.429 0.000 2.046 253 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 253 L C 2.554 179.297 176.870 -0.211 0.000 1.077 253 L CA 1.734 56.350 54.840 -0.373 0.000 0.747 253 L CB -0.414 41.391 42.059 -0.423 0.000 0.896 253 L HN 0.396 nan 8.230 nan 0.000 0.432 254 E N -0.601 119.494 120.200 -0.176 0.000 2.268 254 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 254 E C 2.021 178.562 176.600 -0.097 0.000 0.995 254 E CA 0.648 56.978 56.400 -0.117 0.000 0.836 254 E CB 0.110 29.749 29.700 -0.101 0.000 0.763 254 E HN 0.132 nan 8.360 nan 0.000 0.491 255 S N -0.755 114.878 115.700 -0.110 0.000 2.605 255 S HA 0.178 4.647 4.470 -0.001 0.000 0.217 255 S C 0.564 175.116 174.600 -0.081 0.000 0.958 255 S CA -0.133 58.017 58.200 -0.083 0.000 0.919 255 S CB -0.081 63.072 63.200 -0.078 0.000 0.780 255 S HN 0.258 nan 8.310 nan 0.000 0.507 256 N N 0.005 118.646 118.700 -0.099 0.000 2.299 256 N HA 0.198 4.938 4.740 -0.001 0.000 0.246 256 N C 0.838 176.304 175.510 -0.074 0.000 1.254 256 N CA 0.525 53.524 53.050 -0.085 0.000 0.879 256 N CB 1.307 39.731 38.487 -0.106 0.000 1.214 256 N HN 0.436 nan 8.380 nan 0.000 0.510 257 G N 0.608 109.368 108.800 -0.068 0.000 2.336 257 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.233 257 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.233 257 G C 0.246 175.110 174.900 -0.061 0.000 1.053 257 G CA 0.059 45.126 45.100 -0.055 0.000 0.625 257 G HN 0.169 nan 8.290 nan 0.000 0.511 258 V N 3.580 123.446 119.914 -0.079 0.000 2.400 258 V HA 0.331 4.451 4.120 -0.001 0.000 0.263 258 V C 0.979 177.024 176.094 -0.082 0.000 1.026 258 V CA 0.975 63.225 62.300 -0.082 0.000 1.077 258 V CB 0.130 31.887 31.823 -0.110 0.000 1.054 258 V HN 0.421 nan 8.190 nan 0.000 0.477 259 T N 5.148 119.666 114.554 -0.059 0.000 2.851 259 T HA 0.335 4.684 4.350 -0.001 0.000 0.298 259 T C 0.086 174.756 174.700 -0.049 0.000 0.977 259 T CA -0.249 61.820 62.100 -0.052 0.000 1.126 259 T CB 1.251 70.097 68.868 -0.037 0.000 0.916 259 T HN 0.359 nan 8.240 nan 0.000 0.529 260 V N 5.287 125.171 119.914 -0.050 0.000 2.350 260 V HA 0.249 4.368 4.120 -0.001 0.000 0.276 260 V C 1.087 177.164 176.094 -0.028 0.000 1.028 260 V CA -0.551 61.724 62.300 -0.042 0.000 0.860 260 V CB 1.289 33.084 31.823 -0.048 0.000 0.990 260 V HN 0.821 nan 8.190 nan 0.000 0.453 261 K N 3.052 123.438 120.400 -0.023 0.000 2.404 261 K HA 0.215 4.535 4.320 -0.001 0.000 0.194 261 K C 1.091 177.685 176.600 -0.011 0.000 1.023 261 K CA 0.330 56.609 56.287 -0.014 0.000 1.094 261 K CB 1.090 33.584 32.500 -0.011 0.000 0.841 261 K HN 0.777 nan 8.250 nan 0.000 0.523 262 G N 0.669 109.457 108.800 -0.021 0.000 3.022 262 G HA2 0.153 4.112 3.960 -0.001 0.000 0.157 262 G HA3 0.153 4.112 3.960 -0.001 0.000 0.157 262 G C -0.621 174.268 174.900 -0.019 0.000 1.468 262 G CA -0.148 44.936 45.100 -0.027 0.000 1.058 262 G HN -0.004 nan 8.290 nan 0.000 0.581 263 D N -1.403 118.972 120.400 -0.041 0.000 2.596 263 D HA 0.410 5.050 4.640 -0.001 0.000 0.234 263 D C -0.475 175.817 176.300 -0.013 0.000 1.181 263 D CA -0.314 53.683 54.000 -0.004 0.000 0.856 263 D CB 2.472 43.287 40.800 0.026 0.000 1.498 263 D HN 0.131 nan 8.370 nan 0.000 0.446 264 V N 0.657 120.602 119.914 0.052 0.000 2.637 264 V HA 0.662 4.782 4.120 -0.001 0.000 0.296 264 V C 0.974 177.137 176.094 0.115 0.000 1.046 264 V CA 0.225 62.575 62.300 0.084 0.000 1.066 264 V CB 0.865 32.773 31.823 0.142 0.000 0.968 264 V HN 0.724 nan 8.190 nan 0.000 0.483 265 G N 3.445 112.339 108.800 0.156 0.000 2.523 265 G HA2 0.550 4.510 3.960 -0.001 0.000 0.291 265 G HA3 0.550 4.510 3.960 -0.001 0.000 0.291 265 G C -1.760 173.328 174.900 0.313 0.000 1.450 265 G CA -0.965 44.293 45.100 0.263 0.000 0.790 265 G HN 0.579 nan 8.290 nan 0.000 0.496 266 L N 0.360 121.706 121.223 0.206 0.000 2.325 266 L HA 0.814 5.154 4.340 -0.001 0.000 0.279 266 L C 0.765 177.580 176.870 -0.092 0.000 1.054 266 L CA -0.052 54.834 54.840 0.078 0.000 0.804 266 L CB 1.828 43.903 42.059 0.027 0.000 1.200 266 L HN 1.011 nan 8.230 nan 0.000 0.436 267 G N 1.158 109.832 108.800 -0.210 0.000 2.519 267 G HA2 0.500 4.460 3.960 -0.001 0.000 0.292 267 G HA3 0.500 4.460 3.960 -0.001 0.000 0.292 267 G C -1.249 173.336 174.900 -0.524 0.000 1.507 267 G CA -0.250 44.538 45.100 -0.520 0.000 0.806 267 G HN 0.784 nan 8.290 nan 0.000 0.523 268 G N -1.279 107.174 108.800 -0.579 0.000 2.491 268 G HA2 0.611 4.570 3.960 -0.001 0.000 0.327 268 G HA3 0.611 4.570 3.960 -0.001 0.000 0.327 268 G C -0.367 174.031 174.900 -0.838 0.000 1.189 268 G CA -0.576 44.201 45.100 -0.538 0.000 0.956 268 G HN 1.150 nan 8.290 nan 0.000 0.491 269 V N 2.826 122.405 119.914 -0.560 0.000 2.372 269 V HA 0.229 4.349 4.120 -0.001 0.000 0.261 269 V C -1.431 174.488 176.094 -0.291 0.000 1.055 269 V CA -1.154 60.906 62.300 -0.400 0.000 0.930 269 V CB 0.350 32.128 31.823 -0.076 0.000 1.031 269 V HN 0.625 nan 8.190 nan 0.000 0.479 270 P HA 0.265 nan 4.420 nan 0.000 0.274 270 P C 0.633 177.871 177.300 -0.104 0.000 1.231 270 P CA -0.407 62.545 63.100 -0.245 0.000 0.790 270 P CB 1.445 32.974 31.700 -0.284 0.000 0.951 271 A N 1.331 124.129 122.820 -0.036 0.000 2.172 271 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 271 A C 1.937 179.572 177.584 0.085 0.000 1.154 271 A CA 1.359 53.413 52.037 0.028 0.000 0.701 271 A CB -1.021 17.989 19.000 0.018 0.000 0.789 271 A HN 0.705 nan 8.150 nan 0.000 0.465 272 D N -0.469 119.989 120.400 0.096 0.000 2.106 272 D HA -0.188 4.452 4.640 -0.001 0.000 0.191 272 D C -0.088 176.413 176.300 0.335 0.000 0.997 272 D CA 0.823 54.942 54.000 0.198 0.000 0.834 272 D CB -0.210 40.731 40.800 0.235 0.000 0.956 272 D HN 0.423 nan 8.370 nan 0.000 0.448 273 W N 2.069 123.404 121.300 0.059 0.000 2.489 273 W HA 0.162 4.821 4.660 -0.001 0.000 0.327 273 W C 1.570 178.113 176.519 0.041 0.000 1.436 273 W CA -0.435 56.942 57.345 0.053 0.000 1.315 273 W CB 0.195 29.700 29.460 0.075 0.000 1.373 273 W HN 0.144 nan 8.180 nan 0.000 0.557 274 Q N 1.512 121.428 119.800 0.193 0.000 2.020 274 Q HA -0.125 4.214 4.340 -0.001 0.000 0.198 274 Q C -0.190 175.870 176.000 0.100 0.000 0.974 274 Q CA 1.593 57.465 55.803 0.114 0.000 0.829 274 Q CB 0.104 28.878 28.738 0.060 0.000 0.894 274 Q HN 0.413 nan 8.270 nan 0.000 0.433 275 D N -0.831 119.616 120.400 0.079 0.000 2.323 275 D HA 0.458 5.098 4.640 -0.001 0.000 0.242 275 D C -1.803 174.533 176.300 0.060 0.000 1.347 275 D CA -0.070 53.971 54.000 0.068 0.000 0.988 275 D CB 0.973 41.794 40.800 0.035 0.000 1.314 275 D HN 0.297 nan 8.370 nan 0.000 0.564 276 A N 3.018 125.912 122.820 0.125 0.000 2.366 276 A HA 0.427 4.747 4.320 -0.001 0.000 0.272 276 A C 0.314 177.942 177.584 0.072 0.000 1.135 276 A CA -0.410 51.706 52.037 0.132 0.000 0.804 276 A CB 0.590 19.778 19.000 0.315 0.000 1.064 276 A HN 0.515 nan 8.150 nan 0.000 0.499 277 E N 2.442 122.657 120.200 0.025 0.000 2.220 277 E HA 0.288 4.637 4.350 -0.001 0.000 0.272 277 E C -0.787 175.834 176.600 0.035 0.000 1.099 277 E CA 0.042 56.451 56.400 0.015 0.000 0.907 277 E CB 0.300 29.993 29.700 -0.013 0.000 1.022 277 E HN 0.312 nan 8.360 nan 0.000 0.428 278 V N 8.074 128.009 119.914 0.035 0.000 2.356 278 V HA 0.038 4.158 4.120 -0.001 0.000 0.258 278 V C 1.197 177.307 176.094 0.025 0.000 1.065 278 V CA -0.036 62.286 62.300 0.036 0.000 0.935 278 V CB 0.030 31.869 31.823 0.025 0.000 1.061 278 V HN 0.753 nan 8.190 nan 0.000 0.484 279 L N 4.197 125.440 121.223 0.034 0.000 1.925 279 L HA 0.185 4.525 4.340 -0.001 0.000 0.214 279 L C 1.376 178.269 176.870 0.037 0.000 1.091 279 L CA 1.474 56.335 54.840 0.035 0.000 0.768 279 L CB -0.448 41.640 42.059 0.048 0.000 0.887 279 L HN 0.646 nan 8.230 nan 0.000 0.433 280 A N -0.157 122.696 122.820 0.055 0.000 2.294 280 A HA 0.600 4.919 4.320 -0.001 0.000 0.330 280 A C -1.330 176.274 177.584 0.033 0.000 1.133 280 A CA -0.324 51.748 52.037 0.059 0.000 0.836 280 A CB 0.812 19.877 19.000 0.109 0.000 1.190 280 A HN 0.541 nan 8.150 nan 0.000 0.492 281 D N -1.305 119.116 120.400 0.035 0.000 2.694 281 D HA 0.478 5.117 4.640 -0.001 0.000 0.260 281 D C -1.066 175.274 176.300 0.068 0.000 1.250 281 D CA -0.402 53.611 54.000 0.022 0.000 0.763 281 D CB 0.504 41.294 40.800 -0.016 0.000 1.311 281 D HN 0.586 nan 8.370 nan 0.000 0.420 282 H N -1.405 117.635 119.070 -0.051 0.000 2.731 282 H HA 0.804 5.360 4.556 -0.001 0.000 0.368 282 H C -1.033 174.262 175.328 -0.055 0.000 1.168 282 H CA -0.276 55.748 56.048 -0.040 0.000 1.181 282 H CB 2.140 31.883 29.762 -0.032 0.000 1.743 282 H HN 0.371 nan 8.280 nan 0.000 0.547 283 T N 2.086 116.322 114.554 -0.530 0.000 2.824 283 T HA 0.335 4.685 4.350 -0.001 0.000 0.282 283 T C -0.294 174.246 174.700 -0.267 0.000 0.993 283 T CA -0.817 61.101 62.100 -0.303 0.000 0.967 283 T CB 1.102 69.816 68.868 -0.257 0.000 0.960 283 T HN 0.716 nan 8.240 nan 0.000 0.441 284 S N 2.325 118.003 115.700 -0.038 0.000 2.641 284 S HA 0.695 5.164 4.470 -0.001 0.000 0.261 284 S C 0.735 175.318 174.600 -0.029 0.000 1.257 284 S CA -0.683 57.538 58.200 0.035 0.000 0.983 284 S CB 0.330 63.610 63.200 0.134 0.000 0.990 284 S HN 0.991 nan 8.310 nan 0.000 0.572 285 A N 0.613 123.429 122.820 -0.008 0.000 2.448 285 A HA 0.299 4.619 4.320 -0.001 0.000 0.239 285 A C 0.637 178.215 177.584 -0.010 0.000 1.080 285 A CA -0.408 51.626 52.037 -0.004 0.000 0.779 285 A CB -0.449 18.563 19.000 0.020 0.000 1.026 285 A HN 0.880 nan 8.150 nan 0.000 0.499 286 E N -0.282 119.910 120.200 -0.014 0.000 2.409 286 E HA 0.042 4.392 4.350 -0.001 0.000 0.257 286 E C 0.887 177.502 176.600 0.026 0.000 1.150 286 E CA -0.434 55.950 56.400 -0.027 0.000 0.942 286 E CB 0.324 30.015 29.700 -0.015 0.000 0.979 286 E HN 0.591 nan 8.360 nan 0.000 0.447 287 L N 2.285 123.523 121.223 0.026 0.000 2.042 287 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 287 L C 2.278 179.208 176.870 0.099 0.000 1.076 287 L CA 2.409 57.299 54.840 0.083 0.000 0.749 287 L CB -0.680 41.418 42.059 0.064 0.000 0.893 287 L HN 0.632 nan 8.230 nan 0.000 0.432 288 S N -1.612 114.143 115.700 0.092 0.000 2.447 288 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 288 S C 1.605 176.282 174.600 0.130 0.000 1.006 288 S CA 0.963 59.232 58.200 0.116 0.000 0.957 288 S CB -0.512 62.759 63.200 0.117 0.000 0.773 288 S HN 0.598 nan 8.310 nan 0.000 0.507 289 E N 1.356 121.627 120.200 0.119 0.000 2.190 289 E HA 0.214 4.563 4.350 -0.001 0.000 0.191 289 E C 2.030 178.736 176.600 0.177 0.000 0.978 289 E CA 0.404 56.889 56.400 0.141 0.000 0.839 289 E CB -0.356 29.412 29.700 0.112 0.000 0.787 289 E HN 0.582 nan 8.360 nan 0.000 0.473 290 I N 1.225 121.879 120.570 0.141 0.000 2.394 290 I HA -0.196 3.974 4.170 -0.001 0.000 0.251 290 I C 2.419 178.687 176.117 0.250 0.000 1.136 290 I CA 0.593 61.971 61.300 0.130 0.000 1.425 290 I CB -0.274 37.752 38.000 0.042 0.000 1.079 290 I HN 0.014 nan 8.210 nan 0.000 0.425 291 L N 0.187 121.561 121.223 0.251 0.000 2.081 291 L HA -0.251 4.088 4.340 -0.001 0.000 0.212 291 L C 2.563 179.618 176.870 0.308 0.000 1.080 291 L CA 1.230 56.273 54.840 0.339 0.000 0.754 291 L CB -0.551 41.641 42.059 0.221 0.000 0.893 291 L HN 0.121 nan 8.230 nan 0.000 0.433 292 V N 0.062 120.135 119.914 0.265 0.000 2.216 292 V HA -0.169 3.951 4.120 -0.001 0.000 0.243 292 V C -0.268 176.007 176.094 0.302 0.000 1.044 292 V CA 2.007 64.450 62.300 0.238 0.000 0.995 292 V CB -1.669 30.326 31.823 0.287 0.000 0.633 292 V HN 0.332 nan 8.190 nan 0.000 0.446 293 P HA -0.162 nan 4.420 nan 0.000 0.222 293 P C 1.595 179.238 177.300 0.572 0.000 1.147 293 P CA 1.467 64.924 63.100 0.595 0.000 0.790 293 P CB -0.107 32.024 31.700 0.718 0.000 0.780 294 F N -1.040 119.152 119.950 0.403 0.000 2.149 294 F HA -0.040 4.486 4.527 -0.001 0.000 0.294 294 F C 1.909 177.804 175.800 0.158 0.000 1.095 294 F CA 1.212 59.431 58.000 0.364 0.000 1.276 294 F CB -0.289 38.948 39.000 0.395 0.000 1.023 294 F HN -0.290 nan 8.300 nan 0.000 0.480 295 M N 0.472 119.855 119.600 -0.363 0.000 2.357 295 M HA -0.019 4.460 4.480 -0.001 0.000 0.266 295 M C 1.956 178.016 176.300 -0.401 0.000 1.095 295 M CA 0.932 55.882 55.300 -0.584 0.000 1.156 295 M CB -0.752 31.592 32.600 -0.427 0.000 1.365 295 M HN 0.063 nan 8.290 nan 0.000 0.447 296 K N 0.484 120.680 120.400 -0.339 0.000 1.985 296 K HA -0.065 4.254 4.320 -0.001 0.000 0.210 296 K C 1.477 177.698 176.600 -0.632 0.000 1.047 296 K CA 1.506 57.439 56.287 -0.590 0.000 0.932 296 K CB -0.714 31.223 32.500 -0.938 0.000 0.716 296 K HN 0.310 nan 8.250 nan 0.000 0.439 297 F N 1.525 121.363 119.950 -0.188 0.000 2.660 297 F HA 0.204 4.730 4.527 -0.001 0.000 0.297 297 F C 0.326 176.037 175.800 -0.150 0.000 1.132 297 F CA -0.382 57.518 58.000 -0.167 0.000 1.372 297 F CB -0.326 38.574 39.000 -0.166 0.000 1.003 297 F HN -0.196 nan 8.300 nan 0.000 0.524 298 S N 1.256 116.892 115.700 -0.106 0.000 3.336 298 S HA -0.329 4.140 4.470 -0.001 0.000 0.362 298 S C 0.287 174.879 174.600 -0.012 0.000 0.941 298 S CA 0.146 58.265 58.200 -0.135 0.000 1.297 298 S CB -1.530 61.597 63.200 -0.122 0.000 0.915 298 S HN 0.624 nan 8.310 nan 0.000 0.527 299 N N 1.378 120.113 118.700 0.058 0.000 2.416 299 N HA 0.164 4.904 4.740 -0.001 0.000 0.265 299 N C 1.123 176.754 175.510 0.202 0.000 1.195 299 N CA -0.383 52.718 53.050 0.085 0.000 0.943 299 N CB 0.371 38.806 38.487 -0.086 0.000 1.115 299 N HN 0.265 nan 8.380 nan 0.000 0.481 300 N N 2.516 121.293 118.700 0.129 0.000 2.058 300 N HA -0.098 4.642 4.740 -0.001 0.000 0.191 300 N C 1.820 177.470 175.510 0.233 0.000 1.037 300 N CA 1.297 54.449 53.050 0.171 0.000 0.848 300 N CB -0.607 37.935 38.487 0.091 0.000 1.021 300 N HN 0.690 nan 8.380 nan 0.000 0.422 301 G N 0.306 109.209 108.800 0.171 0.000 2.469 301 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 301 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 301 G C 1.288 176.334 174.900 0.243 0.000 1.150 301 G CA 1.164 46.387 45.100 0.205 0.000 0.763 301 G HN 0.505 nan 8.290 nan 0.000 0.561 302 H N 0.506 119.671 119.070 0.158 0.000 2.270 302 H HA 0.037 4.592 4.556 -0.001 0.000 0.299 302 H C 3.084 178.323 175.328 -0.149 0.000 1.077 302 H CA 0.581 56.622 56.048 -0.011 0.000 1.294 302 H CB -0.060 29.715 29.762 0.021 0.000 1.371 302 H HN 0.417 nan 8.280 nan 0.000 0.491 303 A N 1.337 124.254 122.820 0.162 0.000 1.896 303 A HA -0.297 4.022 4.320 -0.001 0.000 0.220 303 A C 2.168 179.826 177.584 0.123 0.000 1.206 303 A CA 2.226 54.365 52.037 0.170 0.000 0.647 303 A CB -0.421 18.875 19.000 0.493 0.000 0.828 303 A HN 0.328 nan 8.150 nan 0.000 0.455 304 E N -0.757 119.572 120.200 0.216 0.000 2.106 304 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 304 E C 2.010 178.533 176.600 -0.129 0.000 0.984 304 E CA 1.008 57.534 56.400 0.209 0.000 0.806 304 E CB -0.340 29.641 29.700 0.469 0.000 0.750 304 E HN 0.702 nan 8.360 nan 0.000 0.458 305 M N -0.510 119.029 119.600 -0.102 0.000 2.562 305 M HA 0.003 4.483 4.480 -0.001 0.000 0.257 305 M C 1.477 177.641 176.300 -0.227 0.000 1.099 305 M CA 0.570 55.747 55.300 -0.205 0.000 1.099 305 M CB 0.127 32.732 32.600 0.008 0.000 1.427 305 M HN 0.068 nan 8.290 nan 0.000 0.489 306 L N -1.212 119.892 121.223 -0.199 0.000 2.307 306 L HA -0.042 4.297 4.340 -0.001 0.000 0.211 306 L C 2.144 178.937 176.870 -0.129 0.000 1.099 306 L CA 0.143 54.887 54.840 -0.160 0.000 0.816 306 L CB -0.194 41.734 42.059 -0.218 0.000 0.952 306 L HN 0.075 nan 8.230 nan 0.000 0.455 307 V N -0.349 119.463 119.914 -0.170 0.000 2.255 307 V HA -0.233 3.887 4.120 -0.001 0.000 0.243 307 V C 2.304 178.243 176.094 -0.258 0.000 1.038 307 V CA 1.563 63.778 62.300 -0.141 0.000 1.008 307 V CB -0.704 31.087 31.823 -0.053 0.000 0.645 307 V HN 0.374 nan 8.190 nan 0.000 0.449 308 K N 1.035 121.099 120.400 -0.561 0.000 2.152 308 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 308 K C 2.295 178.741 176.600 -0.258 0.000 1.048 308 K CA 1.813 57.693 56.287 -0.680 0.000 0.933 308 K CB -0.380 31.209 32.500 -1.517 0.000 0.721 308 K HN 0.481 nan 8.250 nan 0.000 0.447 309 S N 1.250 116.910 115.700 -0.065 0.000 2.406 309 S HA -0.022 4.448 4.470 -0.001 0.000 0.228 309 S C 1.957 176.617 174.600 0.101 0.000 1.020 309 S CA 0.769 59.130 58.200 0.268 0.000 0.965 309 S CB -0.168 63.242 63.200 0.350 0.000 0.798 309 S HN 0.197 nan 8.310 nan 0.000 0.488 310 I N 1.940 122.511 120.570 0.002 0.000 2.394 310 I HA -0.079 4.091 4.170 -0.001 0.000 0.251 310 I C 2.588 178.696 176.117 -0.016 0.000 1.136 310 I CA 0.877 62.172 61.300 -0.008 0.000 1.425 310 I CB -0.771 37.222 38.000 -0.011 0.000 1.079 310 I HN 0.352 nan 8.210 nan 0.000 0.425 311 G N -0.019 108.751 108.800 -0.051 0.000 2.524 311 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.215 311 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.215 311 G C 1.461 176.322 174.900 -0.065 0.000 1.239 311 G CA 0.330 45.390 45.100 -0.067 0.000 0.798 311 G HN 0.224 nan 8.290 nan 0.000 0.557 312 Q N 0.151 119.895 119.800 -0.093 0.000 2.103 312 Q HA -0.252 4.087 4.340 -0.001 0.000 0.213 312 Q C 2.434 178.415 176.000 -0.032 0.000 1.008 312 Q CA 2.217 57.931 55.803 -0.149 0.000 0.879 312 Q CB -0.445 28.143 28.738 -0.251 0.000 0.946 312 Q HN 0.639 nan 8.270 nan 0.000 0.413 313 E N -0.170 120.055 120.200 0.043 0.000 2.051 313 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 313 E C 1.640 178.264 176.600 0.040 0.000 0.991 313 E CA 2.246 58.689 56.400 0.071 0.000 0.799 313 E CB -0.143 29.592 29.700 0.059 0.000 0.748 313 E HN 0.464 nan 8.360 nan 0.000 0.449 314 T N -3.393 111.172 114.554 0.018 0.000 2.985 314 T HA 0.551 4.901 4.350 -0.001 0.000 0.254 314 T C 1.399 176.099 174.700 0.000 0.000 1.021 314 T CA 0.198 62.307 62.100 0.015 0.000 0.957 314 T CB 0.736 69.616 68.868 0.020 0.000 1.047 314 T HN 0.178 nan 8.240 nan 0.000 0.511 315 A N 1.194 124.004 122.820 -0.017 0.000 1.988 315 A HA 0.726 5.045 4.320 -0.001 0.000 0.201 315 A C 1.844 179.400 177.584 -0.047 0.000 1.410 315 A CA 0.618 52.638 52.037 -0.030 0.000 0.832 315 A CB -0.297 18.681 19.000 -0.038 0.000 0.981 315 A HN 1.290 nan 8.150 nan 0.000 0.492 316 G N -1.751 107.003 108.800 -0.076 0.000 2.141 316 G HA2 0.395 4.354 3.960 -0.001 0.000 0.164 316 G HA3 0.395 4.354 3.960 -0.001 0.000 0.164 316 G C -0.007 174.791 174.900 -0.169 0.000 1.009 316 G CA 0.121 45.153 45.100 -0.113 0.000 0.677 316 G HN 1.793 nan 8.290 nan 0.000 0.508 317 A N -0.507 122.206 122.820 -0.179 0.000 2.437 317 A HA 0.819 5.139 4.320 -0.001 0.000 0.293 317 A C 0.358 177.819 177.584 -0.205 0.000 1.038 317 A CA 0.366 52.287 52.037 -0.192 0.000 0.708 317 A CB 1.351 20.276 19.000 -0.125 0.000 1.251 317 A HN 1.751 nan 8.150 nan 0.000 0.409 318 G N 1.263 109.927 108.800 -0.225 0.000 3.209 318 G HA2 0.478 4.438 3.960 -0.001 0.000 0.274 318 G HA3 0.478 4.438 3.960 -0.001 0.000 0.274 318 G C -0.092 174.675 174.900 -0.222 0.000 0.850 318 G CA 0.467 45.508 45.100 -0.099 0.000 1.907 318 G HN 0.815 nan 8.290 nan 0.000 0.591 319 T N -0.138 114.254 114.554 -0.269 0.000 2.923 319 T HA 0.287 4.637 4.350 -0.001 0.000 0.311 319 T C 0.407 174.987 174.700 -0.201 0.000 1.183 319 T CA -0.655 61.301 62.100 -0.241 0.000 1.020 319 T CB 0.857 69.659 68.868 -0.111 0.000 1.165 319 T HN 0.318 nan 8.240 nan 0.000 0.482 320 W N 1.701 122.910 121.300 -0.152 0.000 2.355 320 W HA -0.074 4.585 4.660 -0.001 0.000 0.309 320 W C 1.660 178.119 176.519 -0.099 0.000 1.206 320 W CA 1.310 58.572 57.345 -0.138 0.000 1.284 320 W CB -0.419 28.949 29.460 -0.153 0.000 1.145 320 W HN 0.783 nan 8.180 nan 0.000 0.502 321 D N -0.261 120.226 120.400 0.145 0.000 2.149 321 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 321 D C 2.152 178.469 176.300 0.028 0.000 0.990 321 D CA 1.840 55.878 54.000 0.063 0.000 0.839 321 D CB -0.622 40.197 40.800 0.033 0.000 0.948 321 D HN 0.068 nan 8.370 nan 0.000 0.460 322 A N 0.747 123.568 122.820 0.001 0.000 1.898 322 A HA 0.106 4.426 4.320 -0.001 0.000 0.214 322 A C 2.384 179.957 177.584 -0.018 0.000 1.183 322 A CA 1.655 53.679 52.037 -0.021 0.000 0.622 322 A CB -0.859 18.110 19.000 -0.052 0.000 0.824 322 A HN 0.282 nan 8.150 nan 0.000 0.444 323 G N -0.077 108.707 108.800 -0.027 0.000 2.418 323 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.217 323 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.217 323 G C 1.364 176.281 174.900 0.029 0.000 1.158 323 G CA 1.046 46.132 45.100 -0.022 0.000 0.771 323 G HN 0.312 nan 8.290 nan 0.000 0.545 324 L N 0.706 121.964 121.223 0.060 0.000 2.083 324 L HA -0.023 4.317 4.340 -0.001 0.000 0.209 324 L C 3.167 180.058 176.870 0.035 0.000 1.083 324 L CA 0.872 55.748 54.840 0.059 0.000 0.752 324 L CB -1.201 40.895 42.059 0.061 0.000 0.899 324 L HN 0.113 nan 8.230 nan 0.000 0.433 325 V N 0.184 120.112 119.914 0.024 0.000 2.295 325 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 325 V C 2.673 178.779 176.094 0.021 0.000 1.049 325 V CA 1.835 64.145 62.300 0.017 0.000 1.024 325 V CB -1.289 30.539 31.823 0.009 0.000 0.648 325 V HN 0.539 nan 8.190 nan 0.000 0.447 326 G N -0.257 108.555 108.800 0.019 0.000 2.446 326 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.217 326 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.217 326 G C 1.674 176.598 174.900 0.040 0.000 1.168 326 G CA 1.294 46.408 45.100 0.023 0.000 0.771 326 G HN 0.379 nan 8.290 nan 0.000 0.551 327 V N 0.675 120.618 119.914 0.049 0.000 2.261 327 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 327 V C 2.736 178.874 176.094 0.074 0.000 1.047 327 V CA 2.125 64.470 62.300 0.074 0.000 1.015 327 V CB -0.356 31.523 31.823 0.092 0.000 0.642 327 V HN 0.394 nan 8.190 nan 0.000 0.446 328 E N 0.445 120.675 120.200 0.050 0.000 2.049 328 E HA -0.278 4.072 4.350 -0.001 0.000 0.198 328 E C 2.221 178.849 176.600 0.046 0.000 1.007 328 E CA 2.052 58.475 56.400 0.039 0.000 0.809 328 E CB -0.178 29.533 29.700 0.018 0.000 0.749 328 E HN 0.705 nan 8.360 nan 0.000 0.450 329 E N -0.112 120.112 120.200 0.040 0.000 2.058 329 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 329 E C 2.056 178.688 176.600 0.053 0.000 0.997 329 E CA 1.043 57.467 56.400 0.039 0.000 0.801 329 E CB -0.177 29.541 29.700 0.031 0.000 0.746 329 E HN 0.332 nan 8.360 nan 0.000 0.450 330 A N 1.165 124.024 122.820 0.064 0.000 1.908 330 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 330 A C 2.201 179.844 177.584 0.099 0.000 1.181 330 A CA 1.259 53.345 52.037 0.082 0.000 0.627 330 A CB -0.679 18.373 19.000 0.086 0.000 0.818 330 A HN 0.138 nan 8.150 nan 0.000 0.445 331 L N -0.474 120.813 121.223 0.106 0.000 2.056 331 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 331 L C 2.843 179.765 176.870 0.088 0.000 1.078 331 L CA 1.341 56.254 54.840 0.121 0.000 0.749 331 L CB -0.628 41.528 42.059 0.161 0.000 0.901 331 L HN 0.317 nan 8.230 nan 0.000 0.433 332 S N 0.586 116.328 115.700 0.069 0.000 2.359 332 S HA -0.167 4.302 4.470 -0.001 0.000 0.224 332 S C 2.096 176.722 174.600 0.043 0.000 1.035 332 S CA 1.416 59.646 58.200 0.049 0.000 1.018 332 S CB -0.910 62.313 63.200 0.038 0.000 0.876 332 S HN 0.598 nan 8.310 nan 0.000 0.448 333 G N 1.301 110.129 108.800 0.047 0.000 2.448 333 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.219 333 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.219 333 G C 1.320 176.242 174.900 0.037 0.000 1.127 333 G CA 0.712 45.837 45.100 0.041 0.000 0.766 333 G HN 0.422 nan 8.290 nan 0.000 0.552 334 L N 0.576 121.830 121.223 0.051 0.000 2.313 334 L HA 0.335 4.674 4.340 -0.001 0.000 0.214 334 L C 1.550 178.424 176.870 0.007 0.000 1.119 334 L CA 1.400 56.260 54.840 0.032 0.000 0.809 334 L CB -0.200 41.901 42.059 0.070 0.000 0.933 334 L HN 0.452 nan 8.230 nan 0.000 0.449 335 G N -0.129 108.684 108.800 0.023 0.000 2.600 335 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.251 335 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.251 335 G C -0.582 174.336 174.900 0.029 0.000 1.142 335 G CA -0.057 45.053 45.100 0.017 0.000 0.994 335 G HN 0.242 nan 8.290 nan 0.000 0.511 336 V N 0.529 120.472 119.914 0.049 0.000 2.483 336 V HA 0.436 4.556 4.120 -0.001 0.000 0.297 336 V C 0.114 176.247 176.094 0.065 0.000 1.027 336 V CA -0.794 61.548 62.300 0.070 0.000 0.855 336 V CB 1.941 33.832 31.823 0.113 0.000 0.995 336 V HN 0.518 nan 8.190 nan 0.000 0.424 337 D N 3.510 123.944 120.400 0.057 0.000 2.359 337 D HA 0.031 4.670 4.640 -0.001 0.000 0.273 337 D C 1.490 177.817 176.300 0.045 0.000 1.362 337 D CA 0.444 54.470 54.000 0.044 0.000 1.010 337 D CB 0.961 41.783 40.800 0.037 0.000 1.090 337 D HN 0.734 nan 8.370 nan 0.000 0.521 338 T N 0.947 115.521 114.554 0.034 0.000 3.160 338 T HA 0.076 4.426 4.350 -0.001 0.000 0.257 338 T C 1.898 176.597 174.700 -0.002 0.000 1.147 338 T CA 0.261 62.370 62.100 0.016 0.000 1.064 338 T CB 0.071 68.946 68.868 0.013 0.000 0.949 338 T HN 0.321 nan 8.240 nan 0.000 0.526 339 A N 1.951 124.775 122.820 0.006 0.000 1.948 339 A HA 0.113 4.433 4.320 -0.001 0.000 0.220 339 A C 2.520 180.100 177.584 -0.008 0.000 1.177 339 A CA 1.562 53.599 52.037 0.000 0.000 0.636 339 A CB -1.349 17.654 19.000 0.006 0.000 0.815 339 A HN 0.607 nan 8.150 nan 0.000 0.449 340 G N -1.589 107.207 108.800 -0.007 0.000 2.985 340 G HA2 0.353 4.312 3.960 -0.001 0.000 0.209 340 G HA3 0.353 4.312 3.960 -0.001 0.000 0.209 340 G C 0.442 175.314 174.900 -0.047 0.000 1.165 340 G CA -0.229 44.862 45.100 -0.015 0.000 0.776 340 G HN 0.385 nan 8.290 nan 0.000 0.541 341 L N 1.303 122.482 121.223 -0.072 0.000 2.312 341 L HA 0.509 4.849 4.340 -0.001 0.000 0.281 341 L C -0.757 176.055 176.870 -0.096 0.000 1.070 341 L CA -0.576 54.184 54.840 -0.134 0.000 0.805 341 L CB 2.113 44.055 42.059 -0.195 0.000 1.174 341 L HN -0.183 nan 8.230 nan 0.000 0.434 342 V N 5.411 125.264 119.914 -0.102 0.000 2.525 342 V HA 0.392 4.511 4.120 -0.001 0.000 0.299 342 V C -0.415 175.633 176.094 -0.077 0.000 1.034 342 V CA -0.583 61.676 62.300 -0.069 0.000 0.863 342 V CB 1.845 33.641 31.823 -0.045 0.000 0.999 342 V HN 0.507 nan 8.190 nan 0.000 0.423 343 L N 1.686 122.874 121.223 -0.059 0.000 2.372 343 L HA 0.737 5.077 4.340 -0.001 0.000 0.274 343 L C 0.011 176.871 176.870 -0.017 0.000 0.988 343 L CA -0.432 54.382 54.840 -0.043 0.000 0.833 343 L CB 1.577 43.608 42.059 -0.047 0.000 1.236 343 L HN 0.447 nan 8.230 nan 0.000 0.410 344 N N 1.161 119.855 118.700 -0.010 0.000 2.348 344 N HA 0.041 4.781 4.740 -0.001 0.000 0.183 344 N C -0.451 175.019 175.510 -0.066 0.000 1.094 344 N CA 0.573 53.598 53.050 -0.041 0.000 0.885 344 N CB 0.681 39.145 38.487 -0.038 0.000 1.065 344 N HN 0.983 nan 8.380 nan 0.000 0.472 345 D N -3.541 116.883 120.400 0.040 0.000 2.825 345 D HA 0.325 4.964 4.640 -0.001 0.000 0.327 345 D C 0.844 177.275 176.300 0.219 0.000 1.277 345 D CA -0.584 53.491 54.000 0.125 0.000 0.950 345 D CB 0.239 41.150 40.800 0.184 0.000 1.438 345 D HN -0.108 nan 8.370 nan 0.000 0.526 346 G N -1.048 107.941 108.800 0.316 0.000 2.545 346 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.212 346 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.212 346 G C 1.190 176.271 174.900 0.303 0.000 1.144 346 G CA 0.873 46.145 45.100 0.287 0.000 0.813 346 G HN 0.538 nan 8.290 nan 0.000 0.531 347 S N -0.413 115.479 115.700 0.319 0.000 2.377 347 S HA 0.312 4.782 4.470 -0.001 0.000 0.223 347 S C 2.043 176.744 174.600 0.167 0.000 1.030 347 S CA 1.407 59.763 58.200 0.259 0.000 0.970 347 S CB -0.223 63.114 63.200 0.229 0.000 0.830 347 S HN 1.460 nan 8.310 nan 0.000 0.473 348 G N 0.768 109.660 108.800 0.154 0.000 2.213 348 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.226 348 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.226 348 G C 0.593 175.503 174.900 0.018 0.000 0.992 348 G CA 0.215 45.366 45.100 0.086 0.000 0.632 348 G HN 0.429 nan 8.290 nan 0.000 0.511 349 L N 1.452 122.662 121.223 -0.022 0.000 2.187 349 L HA 0.116 4.455 4.340 -0.001 0.000 0.213 349 L C 1.558 178.348 176.870 -0.134 0.000 1.100 349 L CA 2.113 56.826 54.840 -0.213 0.000 0.765 349 L CB -0.782 40.962 42.059 -0.526 0.000 0.904 349 L HN 0.436 nan 8.230 nan 0.000 0.437 350 S N -0.117 115.665 115.700 0.138 0.000 2.531 350 S HA 0.078 4.548 4.470 -0.001 0.000 0.279 350 S C 1.379 176.041 174.600 0.104 0.000 1.305 350 S CA -0.531 57.810 58.200 0.235 0.000 1.058 350 S CB 0.748 64.104 63.200 0.260 0.000 0.899 350 S HN 0.263 nan 8.310 nan 0.000 0.493 351 R N 3.479 124.054 120.500 0.126 0.000 2.235 351 R HA -0.015 4.324 4.340 -0.001 0.000 0.213 351 R C 1.905 178.247 176.300 0.071 0.000 1.059 351 R CA 0.905 57.060 56.100 0.093 0.000 0.997 351 R CB -0.715 29.688 30.300 0.171 0.000 0.884 351 R HN 0.761 nan 8.270 nan 0.000 0.462 352 G N 1.051 109.894 108.800 0.072 0.000 3.026 352 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.208 352 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.208 352 G C 0.283 175.192 174.900 0.015 0.000 1.169 352 G CA -0.271 44.850 45.100 0.034 0.000 0.788 352 G HN 0.157 nan 8.290 nan 0.000 0.533 353 N N 0.459 119.171 118.700 0.021 0.000 2.518 353 N HA 0.524 5.263 4.740 -0.001 0.000 0.283 353 N C -0.679 174.821 175.510 -0.015 0.000 1.119 353 N CA 0.034 53.084 53.050 -0.000 0.000 0.983 353 N CB 1.959 40.456 38.487 0.017 0.000 1.139 353 N HN 0.006 nan 8.380 nan 0.000 0.465 354 L N 1.155 122.353 121.223 -0.043 0.000 2.431 354 L HA 0.591 4.931 4.340 -0.001 0.000 0.266 354 L C -0.405 176.416 176.870 -0.081 0.000 0.978 354 L CA -1.060 53.755 54.840 -0.043 0.000 0.822 354 L CB 2.060 44.099 42.059 -0.032 0.000 1.310 354 L HN 0.233 nan 8.230 nan 0.000 0.409 355 V N -0.902 118.984 119.914 -0.048 0.000 3.078 355 V HA 0.881 5.000 4.120 -0.001 0.000 0.311 355 V C -0.324 175.781 176.094 0.017 0.000 1.138 355 V CA -0.569 61.704 62.300 -0.045 0.000 1.007 355 V CB 2.056 33.885 31.823 0.009 0.000 1.045 355 V HN 0.808 nan 8.190 nan 0.000 0.432 356 T N -0.132 114.447 114.554 0.042 0.000 2.807 356 T HA 0.728 5.078 4.350 -0.001 0.000 0.279 356 T C 0.965 175.721 174.700 0.093 0.000 0.993 356 T CA 0.027 62.161 62.100 0.057 0.000 0.970 356 T CB 1.586 70.478 68.868 0.040 0.000 0.950 356 T HN 1.750 nan 8.240 nan 0.000 0.441 357 A N 2.316 125.186 122.820 0.082 0.000 2.131 357 A HA -0.044 4.276 4.320 -0.001 0.000 0.220 357 A C 1.853 179.487 177.584 0.085 0.000 1.158 357 A CA 1.362 53.451 52.037 0.088 0.000 0.665 357 A CB -0.723 18.326 19.000 0.081 0.000 0.795 357 A HN 0.875 nan 8.150 nan 0.000 0.460 358 D N -0.586 119.860 120.400 0.076 0.000 2.149 358 D HA -0.070 4.570 4.640 -0.001 0.000 0.201 358 D C 2.026 178.379 176.300 0.088 0.000 0.972 358 D CA 1.752 55.795 54.000 0.070 0.000 0.835 358 D CB -0.454 40.378 40.800 0.053 0.000 0.966 358 D HN 0.414 nan 8.370 nan 0.000 0.476 359 T N 0.590 115.213 114.554 0.115 0.000 2.708 359 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 359 T C 2.298 177.122 174.700 0.208 0.000 1.037 359 T CA 1.077 63.279 62.100 0.169 0.000 1.146 359 T CB -0.456 68.532 68.868 0.200 0.000 0.865 359 T HN -0.031 nan 8.240 nan 0.000 0.435 360 V N 1.253 121.293 119.914 0.210 0.000 2.287 360 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 360 V C 2.683 178.780 176.094 0.006 0.000 1.053 360 V CA 1.314 63.664 62.300 0.082 0.000 1.027 360 V CB -1.059 30.792 31.823 0.048 0.000 0.646 360 V HN 0.278 nan 8.190 nan 0.000 0.447 361 V N 0.583 120.516 119.914 0.032 0.000 2.317 361 V HA -0.359 3.761 4.120 -0.001 0.000 0.251 361 V C 2.429 178.556 176.094 0.054 0.000 1.065 361 V CA 2.669 64.990 62.300 0.035 0.000 1.049 361 V CB -0.615 31.243 31.823 0.059 0.000 0.651 361 V HN 0.694 nan 8.190 nan 0.000 0.450 362 D N -0.677 119.762 120.400 0.066 0.000 2.097 362 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 362 D C 2.000 178.331 176.300 0.052 0.000 0.984 362 D CA 1.439 55.477 54.000 0.064 0.000 0.826 362 D CB -0.233 40.612 40.800 0.074 0.000 0.973 362 D HN 0.323 nan 8.370 nan 0.000 0.460 363 L N 0.167 121.422 121.223 0.052 0.000 2.043 363 L HA -0.132 4.207 4.340 -0.001 0.000 0.212 363 L C 2.265 179.127 176.870 -0.013 0.000 1.075 363 L CA 1.535 56.375 54.840 -0.000 0.000 0.752 363 L CB -0.400 41.596 42.059 -0.105 0.000 0.891 363 L HN 0.138 nan 8.230 nan 0.000 0.432 364 L N -1.106 120.145 121.223 0.047 0.000 2.109 364 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 364 L C 2.577 179.614 176.870 0.279 0.000 1.086 364 L CA 0.987 55.951 54.840 0.207 0.000 0.760 364 L CB -1.438 40.637 42.059 0.027 0.000 0.910 364 L HN 0.433 nan 8.230 nan 0.000 0.437 365 G N -0.551 108.343 108.800 0.157 0.000 2.514 365 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 365 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 365 G C 1.510 176.424 174.900 0.024 0.000 1.198 365 G CA 0.447 45.611 45.100 0.107 0.000 0.780 365 G HN 0.251 nan 8.290 nan 0.000 0.565 366 Q N 0.538 120.325 119.800 -0.020 0.000 2.050 366 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 366 Q C 3.062 178.938 176.000 -0.205 0.000 0.980 366 Q CA 1.496 57.242 55.803 -0.096 0.000 0.840 366 Q CB -1.034 27.656 28.738 -0.079 0.000 0.898 366 Q HN 0.426 nan 8.270 nan 0.000 0.424 367 A N 0.941 123.614 122.820 -0.246 0.000 1.903 367 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 367 A C 2.310 179.644 177.584 -0.417 0.000 1.191 367 A CA 2.133 53.872 52.037 -0.496 0.000 0.638 367 A CB -1.234 17.219 19.000 -0.912 0.000 0.823 367 A HN 0.482 nan 8.150 nan 0.000 0.451 368 G N -1.035 107.660 108.800 -0.175 0.000 2.598 368 G HA2 0.059 4.019 3.960 -0.001 0.000 0.215 368 G HA3 0.059 4.019 3.960 -0.001 0.000 0.215 368 G C 1.354 176.159 174.900 -0.158 0.000 1.131 368 G CA 1.332 46.352 45.100 -0.132 0.000 0.785 368 G HN 0.919 nan 8.290 nan 0.000 0.539 369 S N -1.164 114.423 115.700 -0.188 0.000 2.554 369 S HA 0.717 5.187 4.470 -0.001 0.000 0.226 369 S C 0.774 175.242 174.600 -0.220 0.000 0.980 369 S CA 0.171 58.273 58.200 -0.163 0.000 0.939 369 S CB 0.697 63.828 63.200 -0.115 0.000 0.832 369 S HN 0.494 nan 8.310 nan 0.000 0.486 370 A N 2.030 124.639 122.820 -0.351 0.000 2.373 370 A HA 0.855 5.175 4.320 -0.001 0.000 0.291 370 A C -1.744 175.563 177.584 -0.461 0.000 1.171 370 A CA -1.913 49.850 52.037 -0.456 0.000 0.922 370 A CB -0.237 18.345 19.000 -0.696 0.000 1.400 370 A HN 0.159 nan 8.150 nan 0.000 0.474 371 P HA -0.176 nan 4.420 nan 0.000 0.208 371 P C 1.006 178.186 177.300 -0.201 0.000 1.180 371 P CA 1.962 64.883 63.100 -0.298 0.000 0.935 371 P CB -0.282 31.270 31.700 -0.247 0.000 0.785 372 W N -0.982 120.333 121.300 0.025 0.000 3.315 372 W HA 0.396 5.055 4.660 -0.001 0.000 0.263 372 W C 1.178 177.771 176.519 0.124 0.000 1.336 372 W CA 0.106 57.496 57.345 0.076 0.000 1.544 372 W CB -1.617 27.902 29.460 0.098 0.000 1.068 372 W HN -0.077 nan 8.180 nan 0.000 0.741 373 A N 1.385 124.296 122.820 0.152 0.000 1.978 373 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 373 A C 2.248 180.019 177.584 0.310 0.000 1.170 373 A CA 1.543 53.697 52.037 0.194 0.000 0.636 373 A CB -0.356 18.627 19.000 -0.027 0.000 0.810 373 A HN 0.267 nan 8.150 nan 0.000 0.448 374 Q N -1.293 118.648 119.800 0.234 0.000 2.062 374 Q HA -0.082 4.257 4.340 -0.001 0.000 0.196 374 Q C 2.201 178.337 176.000 0.226 0.000 0.967 374 Q CA 1.878 57.794 55.803 0.187 0.000 0.832 374 Q CB -1.264 27.548 28.738 0.123 0.000 0.899 374 Q HN 0.640 nan 8.270 nan 0.000 0.442 375 T N 0.541 115.261 114.554 0.276 0.000 3.035 375 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 375 T C 1.197 176.074 174.700 0.295 0.000 1.109 375 T CA 0.453 62.702 62.100 0.248 0.000 1.119 375 T CB -0.151 68.855 68.868 0.230 0.000 0.900 375 T HN 0.479 nan 8.240 nan 0.000 0.503 376 W N 1.905 123.340 121.300 0.226 0.000 2.381 376 W HA -0.163 4.496 4.660 -0.001 0.000 0.321 376 W C 2.452 179.078 176.519 0.179 0.000 1.196 376 W CA 1.827 59.310 57.345 0.230 0.000 1.304 376 W CB -0.896 28.819 29.460 0.424 0.000 1.166 376 W HN 0.451 nan 8.180 nan 0.000 0.473 377 S N 1.294 117.087 115.700 0.155 0.000 2.399 377 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 377 S C 2.082 176.667 174.600 -0.024 0.000 1.022 377 S CA 1.464 59.676 58.200 0.021 0.000 0.983 377 S CB -0.983 62.318 63.200 0.168 0.000 0.803 377 S HN 0.311 nan 8.310 nan 0.000 0.480 378 A N 2.090 124.932 122.820 0.037 0.000 2.019 378 A HA -0.028 4.291 4.320 -0.001 0.000 0.219 378 A C 2.502 180.077 177.584 -0.016 0.000 1.164 378 A CA 1.898 53.952 52.037 0.029 0.000 0.644 378 A CB -1.153 17.891 19.000 0.073 0.000 0.805 378 A HN 0.877 nan 8.150 nan 0.000 0.449 379 S N -0.487 115.175 115.700 -0.063 0.000 2.428 379 S HA 0.117 4.587 4.470 -0.001 0.000 0.230 379 S C 0.705 175.179 174.600 -0.211 0.000 1.014 379 S CA -0.034 58.105 58.200 -0.102 0.000 0.957 379 S CB -0.698 62.440 63.200 -0.103 0.000 0.784 379 S HN 0.379 nan 8.310 nan 0.000 0.499 380 L N 2.875 123.934 121.223 -0.274 0.000 2.455 380 L HA 0.297 4.636 4.340 -0.001 0.000 0.272 380 L C -2.332 174.411 176.870 -0.213 0.000 1.174 380 L CA -2.023 52.639 54.840 -0.295 0.000 0.869 380 L CB -0.156 41.722 42.059 -0.302 0.000 1.130 380 L HN 0.043 nan 8.230 nan 0.000 0.474 381 P HA -0.081 nan 4.420 nan 0.000 0.263 381 P C -0.784 176.431 177.300 -0.141 0.000 1.168 381 P CA 0.183 63.152 63.100 -0.219 0.000 0.759 381 P CB 0.395 31.952 31.700 -0.239 0.000 0.782 382 V N 3.003 122.849 119.914 -0.113 0.000 2.398 382 V HA 0.465 4.585 4.120 -0.001 0.000 0.286 382 V C 0.545 176.601 176.094 -0.063 0.000 1.026 382 V CA -1.032 61.228 62.300 -0.066 0.000 0.868 382 V CB 1.226 33.024 31.823 -0.043 0.000 0.982 382 V HN 0.635 nan 8.190 nan 0.000 0.443 383 A N 3.855 126.647 122.820 -0.048 0.000 2.515 383 A HA 0.497 4.816 4.320 -0.001 0.000 0.263 383 A C 1.325 178.882 177.584 -0.045 0.000 1.096 383 A CA 0.638 52.647 52.037 -0.046 0.000 0.769 383 A CB -0.793 18.184 19.000 -0.038 0.000 1.040 383 A HN 2.254 nan 8.150 nan 0.000 0.505 384 G N 2.277 111.050 108.800 -0.045 0.000 2.333 384 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.296 384 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.296 384 G C -0.281 174.603 174.900 -0.026 0.000 1.059 384 G CA 0.278 45.357 45.100 -0.034 0.000 1.050 384 G HN 0.802 nan 8.290 nan 0.000 0.508 385 E N -0.046 120.139 120.200 -0.026 0.000 2.165 385 E HA 0.454 4.804 4.350 -0.001 0.000 0.266 385 E C 1.217 177.818 176.600 0.000 0.000 0.889 385 E CA -0.241 56.152 56.400 -0.011 0.000 0.756 385 E CB 1.520 31.214 29.700 -0.010 0.000 1.131 385 E HN 0.123 nan 8.360 nan 0.000 0.411 386 S N 1.823 117.530 115.700 0.013 0.000 2.369 386 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 386 S C 0.799 175.427 174.600 0.048 0.000 1.043 386 S CA 1.199 59.414 58.200 0.025 0.000 1.074 386 S CB -0.084 63.132 63.200 0.026 0.000 0.962 386 S HN 0.552 nan 8.310 nan 0.000 0.433 387 D N 2.059 122.498 120.400 0.064 0.000 2.426 387 D HA 0.055 4.694 4.640 -0.001 0.000 0.261 387 D C -1.815 174.567 176.300 0.136 0.000 1.245 387 D CA -1.702 52.366 54.000 0.114 0.000 0.917 387 D CB 1.009 41.877 40.800 0.113 0.000 1.123 387 D HN 0.022 nan 8.370 nan 0.000 0.508 388 P HA -0.137 nan 4.420 nan 0.000 0.216 388 P C 1.034 178.381 177.300 0.079 0.000 1.150 388 P CA 0.951 64.156 63.100 0.175 0.000 0.843 388 P CB -0.036 31.860 31.700 0.326 0.000 0.787 389 F N -1.838 118.234 119.950 0.204 0.000 2.771 389 F HA -0.054 4.473 4.527 -0.001 0.000 0.299 389 F C 1.845 177.643 175.800 -0.003 0.000 1.177 389 F CA 0.646 58.738 58.000 0.153 0.000 1.450 389 F CB -0.334 38.786 39.000 0.200 0.000 1.114 389 F HN -0.202 nan 8.300 nan 0.000 0.587 390 V N -1.968 117.996 119.914 0.084 0.000 2.948 390 V HA 0.180 4.300 4.120 -0.001 0.000 0.234 390 V C 2.369 178.414 176.094 -0.081 0.000 1.205 390 V CA 1.141 63.448 62.300 0.012 0.000 1.234 390 V CB -0.670 31.178 31.823 0.042 0.000 1.020 390 V HN 0.216 nan 8.190 nan 0.000 0.491 391 G N -0.457 108.292 108.800 -0.085 0.000 2.408 391 G HA2 0.328 4.288 3.960 -0.001 0.000 0.215 391 G HA3 0.328 4.288 3.960 -0.001 0.000 0.215 391 G C 1.185 175.951 174.900 -0.223 0.000 1.156 391 G CA 1.297 46.327 45.100 -0.117 0.000 0.793 391 G HN 0.949 nan 8.290 nan 0.000 0.535 392 G N -0.223 108.360 108.800 -0.361 0.000 2.565 392 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.295 392 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.295 392 G C 1.484 176.188 174.900 -0.326 0.000 1.165 392 G CA 2.072 46.783 45.100 -0.649 0.000 0.977 392 G HN 1.265 nan 8.290 nan 0.000 0.546 393 T N -0.471 113.918 114.554 -0.275 0.000 3.043 393 T HA 0.355 4.705 4.350 -0.001 0.000 0.263 393 T C 2.420 177.050 174.700 -0.117 0.000 1.094 393 T CA 1.420 63.435 62.100 -0.142 0.000 1.127 393 T CB 0.037 68.826 68.868 -0.132 0.000 0.905 393 T HN 0.489 nan 8.240 nan 0.000 0.490 394 L N 0.690 121.831 121.223 -0.136 0.000 2.610 394 L HA 0.268 4.608 4.340 -0.001 0.000 0.232 394 L C 2.990 179.813 176.870 -0.079 0.000 1.149 394 L CA 0.334 55.115 54.840 -0.099 0.000 0.872 394 L CB -0.671 41.329 42.059 -0.098 0.000 0.992 394 L HN 0.376 nan 8.230 nan 0.000 0.447 395 A N 0.780 123.551 122.820 -0.083 0.000 1.859 395 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 395 A C 1.571 179.135 177.584 -0.034 0.000 1.198 395 A CA 1.709 53.715 52.037 -0.052 0.000 0.629 395 A CB -0.449 18.530 19.000 -0.035 0.000 0.830 395 A HN 0.473 nan 8.150 nan 0.000 0.446 396 N N 0.420 119.101 118.700 -0.031 0.000 2.466 396 N HA 0.158 4.898 4.740 -0.001 0.000 0.251 396 N C -0.339 175.151 175.510 -0.033 0.000 1.164 396 N CA 0.210 53.245 53.050 -0.025 0.000 0.888 396 N CB 0.162 38.637 38.487 -0.020 0.000 1.177 396 N HN 0.416 nan 8.380 nan 0.000 0.498 397 R N -0.319 120.158 120.500 -0.038 0.000 2.740 397 R HA 0.347 4.687 4.340 -0.001 0.000 0.273 397 R C 0.563 176.838 176.300 -0.041 0.000 0.998 397 R CA -0.637 55.438 56.100 -0.042 0.000 0.900 397 R CB 1.595 31.866 30.300 -0.049 0.000 1.223 397 R HN 0.062 nan 8.270 nan 0.000 0.466 398 M N -0.018 119.557 119.600 -0.041 0.000 2.763 398 M HA -0.314 4.165 4.480 -0.001 0.000 0.178 398 M C -0.056 176.222 176.300 -0.036 0.000 0.620 398 M CA 1.149 56.424 55.300 -0.042 0.000 0.594 398 M CB -1.457 31.114 32.600 -0.048 0.000 2.167 398 M HN 0.580 nan 8.290 nan 0.000 0.512 399 R N 0.855 121.336 120.500 -0.030 0.000 2.758 399 R HA 0.176 4.516 4.340 -0.001 0.000 0.263 399 R C 1.414 177.701 176.300 -0.021 0.000 1.010 399 R CA 1.266 57.352 56.100 -0.024 0.000 1.114 399 R CB 0.048 30.337 30.300 -0.019 0.000 0.985 399 R HN 0.504 nan 8.270 nan 0.000 0.439 400 G N 1.829 110.619 108.800 -0.016 0.000 2.422 400 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.301 400 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.301 400 G C -0.008 174.883 174.900 -0.014 0.000 0.981 400 G CA 1.080 46.172 45.100 -0.012 0.000 0.994 400 G HN 0.726 nan 8.290 nan 0.000 0.514 401 T N -4.887 109.656 114.554 -0.019 0.000 2.864 401 T HA 0.765 5.115 4.350 -0.001 0.000 0.289 401 T C 1.294 175.983 174.700 -0.019 0.000 1.082 401 T CA 0.149 62.237 62.100 -0.020 0.000 1.009 401 T CB 1.634 70.484 68.868 -0.030 0.000 1.234 401 T HN 1.261 nan 8.240 nan 0.000 0.526 402 A N -0.188 122.625 122.820 -0.012 0.000 2.272 402 A HA 0.347 4.666 4.320 -0.001 0.000 0.213 402 A C 2.060 179.614 177.584 -0.051 0.000 1.183 402 A CA 1.307 53.345 52.037 0.003 0.000 0.719 402 A CB -1.285 17.733 19.000 0.031 0.000 0.771 402 A HN 1.188 nan 8.150 nan 0.000 0.484 403 A N -0.611 122.170 122.820 -0.066 0.000 2.169 403 A HA 0.228 4.548 4.320 -0.001 0.000 0.210 403 A C 0.873 178.406 177.584 -0.086 0.000 1.168 403 A CA 0.349 52.330 52.037 -0.093 0.000 0.813 403 A CB -0.211 18.742 19.000 -0.079 0.000 0.861 403 A HN 0.574 nan 8.150 nan 0.000 0.481 404 E N 0.214 120.377 120.200 -0.061 0.000 2.498 404 E HA 0.272 4.621 4.350 -0.001 0.000 0.252 404 E C 1.255 177.825 176.600 -0.050 0.000 1.025 404 E CA 0.672 57.045 56.400 -0.044 0.000 0.938 404 E CB -0.311 29.374 29.700 -0.025 0.000 0.947 404 E HN 0.699 nan 8.360 nan 0.000 0.478 405 G N 2.813 111.587 108.800 -0.044 0.000 2.220 405 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.269 405 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.269 405 G C 0.797 175.664 174.900 -0.054 0.000 0.977 405 G CA 0.507 45.586 45.100 -0.035 0.000 0.634 405 G HN 0.489 nan 8.290 nan 0.000 0.539 406 V N -0.094 119.755 119.914 -0.108 0.000 2.492 406 V HA 0.153 4.273 4.120 -0.001 0.000 0.241 406 V C 1.699 177.734 176.094 -0.098 0.000 1.041 406 V CA 1.287 63.472 62.300 -0.190 0.000 1.057 406 V CB 0.272 31.807 31.823 -0.480 0.000 0.711 406 V HN 0.240 nan 8.190 nan 0.000 0.468 407 V N 1.897 121.774 119.914 -0.062 0.000 2.432 407 V HA 0.209 4.328 4.120 -0.001 0.000 0.271 407 V C -0.060 176.060 176.094 0.043 0.000 1.046 407 V CA -0.369 61.948 62.300 0.028 0.000 0.945 407 V CB 0.699 32.545 31.823 0.038 0.000 0.992 407 V HN 0.506 nan 8.190 nan 0.000 0.471 408 E N 3.877 124.127 120.200 0.083 0.000 2.146 408 E HA 0.719 5.068 4.350 -0.001 0.000 0.282 408 E C -0.146 176.443 176.600 -0.018 0.000 0.989 408 E CA -0.187 56.233 56.400 0.034 0.000 0.799 408 E CB 1.665 31.415 29.700 0.083 0.000 1.088 408 E HN 0.850 nan 8.360 nan 0.000 0.397 409 A N 3.021 125.784 122.820 -0.095 0.000 2.610 409 A HA 0.623 4.942 4.320 -0.001 0.000 0.291 409 A C -1.524 175.934 177.584 -0.210 0.000 1.086 409 A CA -0.865 51.065 52.037 -0.179 0.000 0.677 409 A CB 1.709 20.704 19.000 -0.009 0.000 1.278 409 A HN 0.363 nan 8.150 nan 0.000 0.414 410 K N 0.647 120.892 120.400 -0.258 0.000 2.270 410 K HA 0.699 5.019 4.320 -0.001 0.000 0.255 410 K C -0.228 176.266 176.600 -0.176 0.000 0.936 410 K CA 0.307 56.447 56.287 -0.244 0.000 0.809 410 K CB 1.490 33.811 32.500 -0.298 0.000 1.131 410 K HN 1.016 nan 8.250 nan 0.000 0.427 411 T N -0.058 114.404 114.554 -0.153 0.000 2.895 411 T HA 0.801 5.151 4.350 -0.001 0.000 0.283 411 T C 0.095 174.734 174.700 -0.101 0.000 1.014 411 T CA -0.841 61.194 62.100 -0.109 0.000 1.037 411 T CB 1.541 70.348 68.868 -0.103 0.000 1.006 411 T HN 0.530 nan 8.240 nan 0.000 0.468 412 G N 1.159 109.915 108.800 -0.072 0.000 2.590 412 G HA2 0.611 4.570 3.960 -0.001 0.000 0.310 412 G HA3 0.611 4.570 3.960 -0.001 0.000 0.310 412 G C -1.054 173.807 174.900 -0.065 0.000 1.347 412 G CA -0.804 44.257 45.100 -0.065 0.000 0.963 412 G HN 0.903 nan 8.290 nan 0.000 0.494 413 T N 2.014 116.511 114.554 -0.096 0.000 3.071 413 T HA 0.668 5.017 4.350 -0.001 0.000 0.311 413 T C -0.049 174.553 174.700 -0.163 0.000 1.042 413 T CA -0.502 61.534 62.100 -0.106 0.000 1.028 413 T CB 1.315 70.117 68.868 -0.110 0.000 1.068 413 T HN 0.982 nan 8.240 nan 0.000 0.451 414 M N -0.762 118.748 119.600 -0.150 0.000 3.147 414 M HA 0.613 5.093 4.480 -0.001 0.000 0.276 414 M C -0.926 175.276 176.300 -0.163 0.000 1.211 414 M CA -1.144 54.027 55.300 -0.215 0.000 0.820 414 M CB 1.268 33.686 32.600 -0.303 0.000 1.621 414 M HN 0.221 nan 8.290 nan 0.000 0.507 415 S N 1.051 116.630 115.700 -0.203 0.000 2.784 415 S HA 0.314 4.784 4.470 -0.001 0.000 0.322 415 S C 1.243 175.750 174.600 -0.155 0.000 1.234 415 S CA 1.790 59.900 58.200 -0.150 0.000 1.064 415 S CB -0.321 62.778 63.200 -0.168 0.000 0.787 415 S HN 1.468 nan 8.310 nan 0.000 0.506 416 G N 2.275 110.963 108.800 -0.186 0.000 2.196 416 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.268 416 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.268 416 G C 0.047 174.683 174.900 -0.440 0.000 0.975 416 G CA 0.298 45.146 45.100 -0.420 0.000 0.648 416 G HN 0.808 nan 8.290 nan 0.000 0.538 417 V N 0.097 119.896 119.914 -0.192 0.000 2.525 417 V HA 0.784 4.903 4.120 -0.001 0.000 0.299 417 V C -0.155 175.972 176.094 0.055 0.000 1.034 417 V CA 0.025 62.285 62.300 -0.067 0.000 0.863 417 V CB 1.917 33.695 31.823 -0.075 0.000 0.999 417 V HN 0.546 nan 8.190 nan 0.000 0.423 418 S N 3.151 118.935 115.700 0.141 0.000 2.541 418 S HA 0.950 5.419 4.470 -0.001 0.000 0.280 418 S C -0.802 173.831 174.600 0.054 0.000 1.112 418 S CA 0.197 58.453 58.200 0.093 0.000 0.925 418 S CB 1.810 65.070 63.200 0.099 0.000 1.067 418 S HN 1.352 nan 8.310 nan 0.000 0.479 419 A N 2.704 125.532 122.820 0.015 0.000 2.594 419 A HA 0.873 5.192 4.320 -0.001 0.000 0.295 419 A C -1.726 175.855 177.584 -0.006 0.000 1.071 419 A CA -0.652 51.393 52.037 0.013 0.000 0.685 419 A CB 1.566 20.572 19.000 0.010 0.000 1.285 419 A HN 1.358 nan 8.150 nan 0.000 0.405 420 L N 1.232 122.461 121.223 0.009 0.000 2.676 420 L HA 0.723 5.062 4.340 -0.001 0.000 0.262 420 L C -1.003 175.858 176.870 -0.016 0.000 0.932 420 L CA 0.259 55.103 54.840 0.008 0.000 0.932 420 L CB 1.996 44.097 42.059 0.069 0.000 1.355 420 L HN 1.204 nan 8.230 nan 0.000 0.421 421 S N 2.557 118.098 115.700 -0.265 0.000 2.533 421 S HA 1.040 5.509 4.470 -0.001 0.000 0.271 421 S C -0.416 173.645 174.600 -0.897 0.000 1.143 421 S CA -0.107 57.669 58.200 -0.708 0.000 0.891 421 S CB 1.730 64.675 63.200 -0.424 0.000 1.105 421 S HN 1.313 nan 8.310 nan 0.000 0.468 422 G N 0.752 108.668 108.800 -1.472 0.000 2.441 422 G HA2 0.486 4.445 3.960 -0.001 0.000 0.225 422 G HA3 0.486 4.445 3.960 -0.001 0.000 0.225 422 G C -2.424 171.921 174.900 -0.924 0.000 1.200 422 G CA -0.646 43.825 45.100 -1.049 0.000 0.947 422 G HN 0.653 nan 8.290 nan 0.000 0.484 423 Y N -0.799 119.485 120.300 -0.028 0.000 2.485 423 Y HA 0.637 5.186 4.550 -0.001 0.000 0.345 423 Y C -0.021 176.025 175.900 0.243 0.000 0.998 423 Y CA -1.040 57.148 58.100 0.146 0.000 1.059 423 Y CB 2.641 41.162 38.460 0.102 0.000 1.234 423 Y HN 0.288 nan 8.280 nan 0.000 0.461 424 V N 4.622 124.783 119.914 0.411 0.000 2.266 424 V HA 0.330 4.450 4.120 -0.001 0.000 0.271 424 V C -2.241 173.986 176.094 0.223 0.000 1.032 424 V CA -1.890 60.559 62.300 0.249 0.000 0.806 424 V CB 0.479 32.405 31.823 0.171 0.000 1.052 424 V HN 0.565 nan 8.190 nan 0.000 0.449 425 P HA 0.559 nan 4.420 nan 0.000 0.275 425 P C 0.270 177.730 177.300 0.265 0.000 1.270 425 P CA 0.374 63.579 63.100 0.175 0.000 0.791 425 P CB 1.239 33.017 31.700 0.129 0.000 1.089 426 G N -1.468 107.459 108.800 0.210 0.000 2.326 426 G HA2 0.062 4.022 3.960 -0.001 0.000 0.413 426 G HA3 0.062 4.022 3.960 -0.001 0.000 0.413 426 G C -2.541 172.387 174.900 0.047 0.000 1.444 426 G CA -0.488 44.712 45.100 0.167 0.000 1.002 426 G HN 0.232 nan 8.290 nan 0.000 0.649 427 P HA -0.134 nan 4.420 nan 0.000 0.217 427 P C 0.884 178.179 177.300 -0.008 0.000 1.162 427 P CA 1.868 64.949 63.100 -0.033 0.000 0.901 427 P CB -0.103 31.550 31.700 -0.077 0.000 0.793 428 E N 1.114 121.308 120.200 -0.010 0.000 2.346 428 E HA 0.352 4.701 4.350 -0.001 0.000 0.317 428 E C 0.749 177.394 176.600 0.075 0.000 1.404 428 E CA -0.079 56.330 56.400 0.016 0.000 1.534 428 E CB -1.128 28.554 29.700 -0.029 0.000 1.309 428 E HN 0.265 nan 8.360 nan 0.000 0.499 429 G N 1.443 110.283 108.800 0.067 0.000 2.785 429 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.685 429 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.685 429 G C -0.735 174.230 174.900 0.108 0.000 1.480 429 G CA -0.401 44.748 45.100 0.082 0.000 0.915 429 G HN 0.495 nan 8.290 nan 0.000 0.576 430 E N -0.661 119.597 120.200 0.098 0.000 2.313 430 E HA 0.443 4.792 4.350 -0.001 0.000 0.276 430 E C -0.365 176.338 176.600 0.172 0.000 1.031 430 E CA -0.702 55.773 56.400 0.124 0.000 0.857 430 E CB 0.540 30.279 29.700 0.065 0.000 1.040 430 E HN 0.325 nan 8.360 nan 0.000 0.408 431 L N 3.046 124.407 121.223 0.230 0.000 2.313 431 L HA 0.434 4.774 4.340 -0.001 0.000 0.283 431 L C -0.454 176.635 176.870 0.365 0.000 1.013 431 L CA -0.199 54.794 54.840 0.255 0.000 0.816 431 L CB 1.497 43.689 42.059 0.221 0.000 1.236 431 L HN 0.543 nan 8.230 nan 0.000 0.419 432 A N 4.444 127.457 122.820 0.322 0.000 2.304 432 A HA 0.851 5.171 4.320 -0.001 0.000 0.323 432 A C -0.966 176.752 177.584 0.223 0.000 1.195 432 A CA -0.372 51.828 52.037 0.272 0.000 0.826 432 A CB 0.458 19.620 19.000 0.271 0.000 1.184 432 A HN 0.576 nan 8.150 nan 0.000 0.496 433 F N 0.461 120.407 119.950 -0.007 0.000 2.613 433 F HA 0.842 5.368 4.527 -0.001 0.000 0.310 433 F C -0.500 175.278 175.800 -0.037 0.000 1.085 433 F CA -0.834 57.160 58.000 -0.010 0.000 0.945 433 F CB 1.563 40.554 39.000 -0.016 0.000 1.298 433 F HN 0.457 nan 8.300 nan 0.000 0.455 434 S N 2.377 118.130 115.700 0.087 0.000 2.547 434 S HA 0.834 5.303 4.470 -0.001 0.000 0.281 434 S C -1.426 173.268 174.600 0.157 0.000 1.118 434 S CA -0.558 57.647 58.200 0.008 0.000 0.947 434 S CB 1.065 64.260 63.200 -0.008 0.000 1.053 434 S HN 0.662 nan 8.310 nan 0.000 0.482 435 I N 4.199 124.850 120.570 0.135 0.000 2.500 435 I HA 0.465 4.634 4.170 -0.001 0.000 0.286 435 I C -1.208 174.957 176.117 0.080 0.000 1.063 435 I CA -0.735 60.642 61.300 0.129 0.000 1.062 435 I CB 2.079 40.170 38.000 0.152 0.000 1.223 435 I HN 0.317 nan 8.210 nan 0.000 0.435 436 V N 5.508 125.467 119.914 0.076 0.000 2.531 436 V HA 0.501 4.620 4.120 -0.001 0.000 0.301 436 V C -0.583 175.555 176.094 0.073 0.000 1.034 436 V CA -0.722 61.617 62.300 0.066 0.000 0.865 436 V CB 1.918 33.778 31.823 0.063 0.000 0.995 436 V HN 0.642 nan 8.190 nan 0.000 0.424 437 N N 3.929 122.682 118.700 0.089 0.000 2.372 437 N HA 0.492 5.231 4.740 -0.001 0.000 0.285 437 N C -1.136 174.437 175.510 0.107 0.000 1.008 437 N CA -0.459 52.672 53.050 0.135 0.000 0.880 437 N CB 2.287 40.893 38.487 0.199 0.000 1.239 437 N HN 0.690 nan 8.380 nan 0.000 0.484 438 N N 0.019 118.745 118.700 0.045 0.000 2.295 438 N HA 0.416 5.156 4.740 -0.001 0.000 0.293 438 N C 0.433 175.873 175.510 -0.117 0.000 1.040 438 N CA -0.306 52.702 53.050 -0.070 0.000 0.840 438 N CB 2.464 40.931 38.487 -0.033 0.000 1.468 438 N HN 0.729 nan 8.380 nan 0.000 0.478 439 G N 0.985 109.626 108.800 -0.265 0.000 2.254 439 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.225 439 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.225 439 G C 0.079 174.871 174.900 -0.181 0.000 1.003 439 G CA -0.057 44.935 45.100 -0.179 0.000 0.622 439 G HN 0.865 nan 8.290 nan 0.000 0.507 440 H N 0.718 119.784 119.070 -0.006 0.000 3.038 440 H HA 0.419 4.974 4.556 -0.001 0.000 0.338 440 H C 0.260 175.582 175.328 -0.010 0.000 1.041 440 H CA 0.792 56.835 56.048 -0.008 0.000 1.394 440 H CB 0.615 30.369 29.762 -0.013 0.000 1.357 440 H HN 0.078 nan 8.280 nan 0.000 0.600 441 S N 2.393 118.169 115.700 0.127 0.000 2.552 441 S HA 0.323 4.792 4.470 -0.001 0.000 0.246 441 S C 0.883 175.527 174.600 0.074 0.000 1.019 441 S CA -0.052 58.189 58.200 0.068 0.000 1.045 441 S CB 0.377 63.599 63.200 0.037 0.000 0.784 441 S HN 0.967 nan 8.310 nan 0.000 0.453 442 G N 2.038 110.908 108.800 0.117 0.000 2.791 442 G HA2 0.446 4.405 3.960 -0.001 0.000 0.158 442 G HA3 0.446 4.405 3.960 -0.001 0.000 0.158 442 G C -3.020 171.909 174.900 0.047 0.000 1.193 442 G CA -0.650 44.485 45.100 0.059 0.000 1.032 442 G HN 0.196 nan 8.290 nan 0.000 0.557 443 P HA 0.470 nan 4.420 nan 0.000 0.268 443 P C -0.036 177.151 177.300 -0.188 0.000 1.205 443 P CA 0.212 63.269 63.100 -0.070 0.000 0.771 443 P CB 1.007 32.665 31.700 -0.070 0.000 0.858 444 A N 5.592 128.292 122.820 -0.199 0.000 2.520 444 A HA 0.220 4.540 4.320 -0.001 0.000 0.245 444 A C -1.373 176.026 177.584 -0.308 0.000 1.072 444 A CA -0.978 50.839 52.037 -0.365 0.000 0.761 444 A CB -0.900 18.011 19.000 -0.147 0.000 1.004 444 A HN 0.445 nan 8.150 nan 0.000 0.499 445 P HA -0.014 nan 4.420 nan 0.000 0.271 445 P C 0.817 178.039 177.300 -0.129 0.000 1.601 445 P CA 0.240 63.214 63.100 -0.210 0.000 0.856 445 P CB -0.282 31.306 31.700 -0.188 0.000 1.820 446 L N 0.172 121.325 121.223 -0.117 0.000 2.012 446 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 446 L C 2.646 179.473 176.870 -0.071 0.000 1.073 446 L CA 1.886 56.677 54.840 -0.082 0.000 0.748 446 L CB -1.457 40.556 42.059 -0.076 0.000 0.891 446 L HN 0.071 nan 8.230 nan 0.000 0.431 447 A N -0.248 122.528 122.820 -0.073 0.000 1.978 447 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 447 A C 2.342 179.886 177.584 -0.067 0.000 1.170 447 A CA 1.803 53.802 52.037 -0.065 0.000 0.636 447 A CB -0.765 18.199 19.000 -0.059 0.000 0.810 447 A HN 0.231 nan 8.150 nan 0.000 0.448 448 V N -0.421 119.451 119.914 -0.071 0.000 2.323 448 V HA -0.296 3.823 4.120 -0.001 0.000 0.244 448 V C 2.593 178.644 176.094 -0.072 0.000 1.041 448 V CA 2.163 64.423 62.300 -0.068 0.000 1.025 448 V CB -1.004 30.780 31.823 -0.064 0.000 0.656 448 V HN 0.642 nan 8.190 nan 0.000 0.451 449 Q N -0.030 119.733 119.800 -0.062 0.000 2.061 449 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 449 Q C 2.068 178.017 176.000 -0.084 0.000 0.984 449 Q CA 2.025 57.796 55.803 -0.053 0.000 0.846 449 Q CB -0.355 28.372 28.738 -0.018 0.000 0.902 449 Q HN 0.618 nan 8.270 nan 0.000 0.421 450 D N 0.612 120.968 120.400 -0.075 0.000 2.137 450 D HA -0.243 4.396 4.640 -0.001 0.000 0.189 450 D C 1.855 178.093 176.300 -0.104 0.000 0.998 450 D CA 1.733 55.684 54.000 -0.082 0.000 0.839 450 D CB -0.625 40.135 40.800 -0.066 0.000 0.962 450 D HN 0.308 nan 8.370 nan 0.000 0.446 451 A N 0.629 123.394 122.820 -0.092 0.000 1.903 451 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 451 A C 2.493 180.000 177.584 -0.128 0.000 1.191 451 A CA 1.826 53.806 52.037 -0.094 0.000 0.638 451 A CB -0.995 17.957 19.000 -0.079 0.000 0.823 451 A HN 0.281 nan 8.150 nan 0.000 0.451 452 I N -0.365 120.111 120.570 -0.157 0.000 2.142 452 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 452 I C 3.013 178.956 176.117 -0.291 0.000 1.078 452 I CA 1.236 62.405 61.300 -0.219 0.000 1.343 452 I CB -0.522 37.342 38.000 -0.228 0.000 1.046 452 I HN 0.353 nan 8.210 nan 0.000 0.405 453 A N 0.497 123.109 122.820 -0.346 0.000 1.892 453 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 453 A C 2.451 179.874 177.584 -0.268 0.000 1.188 453 A CA 2.193 53.955 52.037 -0.460 0.000 0.631 453 A CB -1.141 17.636 19.000 -0.371 0.000 0.822 453 A HN 0.266 nan 8.150 nan 0.000 0.447 454 V N -0.046 119.764 119.914 -0.172 0.000 2.343 454 V HA -0.217 3.903 4.120 -0.001 0.000 0.247 454 V C 2.724 178.769 176.094 -0.081 0.000 1.051 454 V CA 2.128 64.364 62.300 -0.107 0.000 1.036 454 V CB -0.794 30.981 31.823 -0.080 0.000 0.654 454 V HN 0.556 nan 8.190 nan 0.000 0.451 455 R N -0.196 120.246 120.500 -0.097 0.000 2.090 455 R HA -0.018 4.321 4.340 -0.001 0.000 0.228 455 R C 2.212 178.489 176.300 -0.039 0.000 1.110 455 R CA 1.194 57.257 56.100 -0.061 0.000 0.973 455 R CB -0.385 29.866 30.300 -0.081 0.000 0.869 455 R HN 0.466 nan 8.270 nan 0.000 0.440 456 L N 0.163 121.318 121.223 -0.113 0.000 2.012 456 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 456 L C 2.637 179.522 176.870 0.026 0.000 1.073 456 L CA 1.522 56.310 54.840 -0.087 0.000 0.748 456 L CB -0.672 41.236 42.059 -0.253 0.000 0.891 456 L HN 0.180 nan 8.230 nan 0.000 0.431 457 A N -0.335 122.472 122.820 -0.021 0.000 2.024 457 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 457 A C 2.101 179.772 177.584 0.146 0.000 1.164 457 A CA 1.651 53.715 52.037 0.045 0.000 0.643 457 A CB -0.387 18.580 19.000 -0.056 0.000 0.806 457 A HN 0.480 nan 8.150 nan 0.000 0.451 458 E N -2.399 117.857 120.200 0.094 0.000 2.299 458 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 458 E C 1.514 178.170 176.600 0.094 0.000 0.998 458 E CA 0.515 56.968 56.400 0.088 0.000 0.851 458 E CB -0.130 29.598 29.700 0.047 0.000 0.795 458 E HN 0.808 nan 8.360 nan 0.000 0.492 459 Y N 0.518 120.828 120.300 0.015 0.000 2.337 459 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 459 Y C 2.095 178.013 175.900 0.031 0.000 1.123 459 Y CA 1.066 59.174 58.100 0.013 0.000 1.201 459 Y CB 0.079 38.541 38.460 0.004 0.000 1.011 459 Y HN 0.001 nan 8.280 nan 0.000 0.545 460 A N -0.244 122.698 122.820 0.202 0.000 2.119 460 A HA 0.245 4.564 4.320 -0.001 0.000 0.217 460 A C 1.564 179.139 177.584 -0.016 0.000 1.153 460 A CA 1.096 53.230 52.037 0.162 0.000 0.692 460 A CB -1.133 18.039 19.000 0.286 0.000 0.799 460 A HN 0.857 nan 8.150 nan 0.000 0.458 461 G N -0.720 108.036 108.800 -0.073 0.000 2.580 461 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.204 461 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.204 461 G C -0.469 174.189 174.900 -0.403 0.000 1.107 461 G CA -0.114 44.852 45.100 -0.222 0.000 0.881 461 G HN 0.650 nan 8.290 nan 0.000 0.497 462 H N -0.512 118.549 119.070 -0.015 0.000 2.637 462 H HA 0.623 5.179 4.556 -0.001 0.000 0.363 462 H C -0.282 175.038 175.328 -0.012 0.000 1.131 462 H CA -0.475 55.568 56.048 -0.008 0.000 1.183 462 H CB 2.184 31.946 29.762 0.000 0.000 1.637 462 H HN 0.301 nan 8.280 nan 0.000 0.531 463 Q N 0.465 120.327 119.800 0.104 0.000 2.248 463 Q HA 0.592 4.932 4.340 -0.001 0.000 0.263 463 Q C -0.510 175.519 176.000 0.049 0.000 1.007 463 Q CA -0.874 54.960 55.803 0.052 0.000 0.877 463 Q CB 2.026 30.777 28.738 0.023 0.000 1.315 463 Q HN 0.746 nan 8.270 nan 0.000 0.454 464 A N 2.382 125.217 122.820 0.025 0.000 2.309 464 A HA 0.595 4.914 4.320 -0.001 0.000 0.290 464 A C -2.194 175.397 177.584 0.011 0.000 1.206 464 A CA -1.268 50.777 52.037 0.014 0.000 0.850 464 A CB -0.386 18.616 19.000 0.004 0.000 1.118 464 A HN 0.460 nan 8.150 nan 0.000 0.523 465 P HA 0.437 nan 4.420 nan 0.000 0.275 465 P C -0.376 176.926 177.300 0.004 0.000 1.228 465 P CA -0.061 63.045 63.100 0.009 0.000 0.786 465 P CB 0.851 32.556 31.700 0.010 0.000 0.927 466 E N 0.000 120.202 120.200 0.003 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 466 E CA 0.000 56.401 56.400 0.001 0.000 0.976 466 E CB 0.000 29.700 29.700 0.000 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440