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 3mjt_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGHPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EVGMATDPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.635 174.600 0.059 0.000 1.055 -2 S CA 0.000 58.235 58.200 0.058 0.000 1.107 -2 S CB 0.000 63.206 63.200 0.010 0.000 0.593 -1 H N 1.996 120.986 119.070 -0.133 0.000 2.389 -1 H HA -0.009 4.550 4.556 0.004 0.000 0.299 -1 H C 1.750 176.982 175.328 -0.160 0.000 1.081 -1 H CA 2.051 57.997 56.048 -0.169 0.000 1.345 -1 H CB -0.019 29.580 29.762 -0.271 0.000 1.393 -1 H HN 0.538 nan 8.280 nan 0.000 0.520 0 M N 0.461 120.040 119.600 -0.035 0.000 2.086 0 M HA -0.163 4.320 4.480 0.005 0.000 0.261 0 M C 1.833 178.127 176.300 -0.011 0.000 1.067 0 M CA 1.257 56.542 55.300 -0.024 0.000 1.116 0 M CB -0.092 32.501 32.600 -0.012 0.000 1.348 0 M HN 0.115 nan 8.290 nan 0.000 0.407 1 D N 0.842 121.228 120.400 -0.023 0.000 2.133 1 D HA -0.182 4.461 4.640 0.005 0.000 0.192 1 D C 1.877 178.133 176.300 -0.074 0.000 1.001 1 D CA 1.893 55.866 54.000 -0.045 0.000 0.844 1 D CB -0.265 40.502 40.800 -0.054 0.000 0.944 1 D HN 0.391 nan 8.370 nan 0.000 0.447 2 A N 0.151 122.922 122.820 -0.081 0.000 2.121 2 A HA -0.064 4.258 4.320 0.005 0.000 0.218 2 A C 2.293 179.849 177.584 -0.046 0.000 1.154 2 A CA 0.587 52.566 52.037 -0.096 0.000 0.679 2 A CB -0.501 18.427 19.000 -0.119 0.000 0.795 2 A HN 0.242 nan 8.150 nan 0.000 0.458 3 L N -1.085 120.140 121.223 0.003 0.000 2.418 3 L HA 0.041 4.384 4.340 0.005 0.000 0.218 3 L C 0.829 177.782 176.870 0.139 0.000 1.125 3 L CA 0.207 55.117 54.840 0.117 0.000 0.835 3 L CB -0.135 41.996 42.059 0.120 0.000 0.953 3 L HN 0.247 nan 8.230 nan 0.000 0.454 4 R N -0.271 120.214 120.500 -0.025 0.000 2.254 4 R HA 0.447 4.790 4.340 0.005 0.000 0.318 4 R C -1.481 174.742 176.300 -0.129 0.000 1.031 4 R CA -0.317 55.796 56.100 0.021 0.000 0.905 4 R CB 0.973 31.277 30.300 0.007 0.000 1.050 4 R HN -0.124 nan 8.270 nan 0.000 0.456 5 Y N 0.595 120.974 120.300 0.132 0.000 2.545 5 Y HA 0.333 4.884 4.550 0.003 0.000 0.348 5 Y C 0.162 176.189 175.900 0.212 0.000 1.002 5 Y CA -0.997 57.194 58.100 0.152 0.000 1.039 5 Y CB 1.920 40.439 38.460 0.098 0.000 1.271 5 Y HN 0.666 nan 8.280 nan 0.000 0.467 6 H N -0.502 118.665 119.070 0.162 0.000 2.928 6 H HA 0.687 5.243 4.556 -0.001 0.000 0.371 6 H C -1.485 173.883 175.328 0.067 0.000 1.186 6 H CA -1.170 54.938 56.048 0.099 0.000 1.134 6 H CB 1.372 31.172 29.762 0.062 0.000 1.824 6 H HN 0.401 nan 8.280 nan 0.000 0.554 7 I N 2.125 122.661 120.570 -0.057 0.000 2.474 7 I HA 0.195 4.368 4.170 0.005 0.000 0.287 7 I C 0.159 176.128 176.117 -0.245 0.000 1.048 7 I CA 0.099 61.288 61.300 -0.185 0.000 1.383 7 I CB 1.021 38.967 38.000 -0.089 0.000 1.412 7 I HN 0.804 nan 8.210 nan 0.000 0.531 8 E N 4.270 124.261 120.200 -0.347 0.000 2.392 8 E HA 0.441 4.794 4.350 0.005 0.000 0.269 8 E C -1.785 174.646 176.600 -0.282 0.000 0.924 8 E CA -0.623 55.668 56.400 -0.182 0.000 0.784 8 E CB 2.270 31.846 29.700 -0.207 0.000 1.292 8 E HN 0.369 nan 8.360 nan 0.000 0.447 9 W N 1.043 122.325 121.300 -0.030 0.000 2.538 9 W HA 0.408 5.062 4.660 -0.011 0.000 0.322 9 W C -0.292 176.229 176.519 0.003 0.000 1.028 9 W CA -0.289 57.052 57.345 -0.007 0.000 1.228 9 W CB 1.199 30.651 29.460 -0.012 0.000 1.356 9 W HN 0.337 nan 8.180 nan 0.000 0.452 10 N N 1.618 120.429 118.700 0.185 0.000 2.292 10 N HA 0.479 5.222 4.740 0.005 0.000 0.303 10 N C -0.824 174.766 175.510 0.133 0.000 1.140 10 N CA -1.276 51.847 53.050 0.122 0.000 0.788 10 N CB 1.950 40.469 38.487 0.054 0.000 1.361 10 N HN 0.321 nan 8.380 nan 0.000 0.489 11 R N 1.346 121.906 120.500 0.100 0.000 2.537 11 R HA 0.243 4.586 4.340 0.005 0.000 0.280 11 R C -0.221 176.127 176.300 0.080 0.000 1.058 11 R CA -0.336 55.818 56.100 0.090 0.000 1.057 11 R CB 0.279 30.617 30.300 0.064 0.000 0.973 11 R HN 0.435 nan 8.270 nan 0.000 0.438 12 V N 0.957 120.921 119.914 0.084 0.000 3.229 12 V HA 0.816 4.939 4.120 0.005 0.000 0.310 12 V C -0.075 176.054 176.094 0.057 0.000 1.206 12 V CA -0.902 61.441 62.300 0.072 0.000 1.051 12 V CB 1.142 33.018 31.823 0.088 0.000 1.183 12 V HN 0.936 nan 8.190 nan 0.000 0.466 13 A N 0.304 123.154 122.820 0.050 0.000 2.462 13 A HA 0.416 4.739 4.320 0.005 0.000 0.243 13 A C 0.375 177.980 177.584 0.035 0.000 1.076 13 A CA -0.220 51.840 52.037 0.038 0.000 0.773 13 A CB -0.331 18.690 19.000 0.035 0.000 1.010 13 A HN 0.830 nan 8.150 nan 0.000 0.493 14 E N 2.328 122.544 120.200 0.026 0.000 2.414 14 E HA 0.178 4.531 4.350 0.005 0.000 0.263 14 E C -1.813 174.796 176.600 0.014 0.000 1.000 14 E CA -0.889 55.522 56.400 0.018 0.000 0.914 14 E CB 0.065 29.772 29.700 0.012 0.000 0.948 14 E HN 0.521 nan 8.360 nan 0.000 0.444 15 P HA 0.156 nan 4.420 nan 0.000 0.276 15 P C 0.305 177.602 177.300 -0.005 0.000 1.261 15 P CA -0.493 62.606 63.100 -0.000 0.000 0.800 15 P CB 0.518 32.208 31.700 -0.017 0.000 1.066 16 G N -0.503 108.293 108.800 -0.007 0.000 2.712 16 G HA2 0.247 4.210 3.960 0.005 0.000 0.258 16 G HA3 0.247 4.210 3.960 0.005 0.000 0.258 16 G C 0.827 175.716 174.900 -0.018 0.000 1.241 16 G CA 0.327 45.421 45.100 -0.010 0.000 0.923 16 G HN 0.620 nan 8.290 nan 0.000 0.548 17 T N -3.352 111.191 114.554 -0.018 0.000 3.054 17 T HA 0.555 4.908 4.350 0.005 0.000 0.255 17 T C 0.736 175.419 174.700 -0.029 0.000 1.035 17 T CA 0.527 62.614 62.100 -0.021 0.000 0.941 17 T CB 0.354 69.213 68.868 -0.015 0.000 1.026 17 T HN 0.843 nan 8.240 nan 0.000 0.533 18 A N 2.514 125.313 122.820 -0.034 0.000 2.305 18 A HA 0.707 5.030 4.320 0.005 0.000 0.322 18 A C 0.509 178.055 177.584 -0.064 0.000 1.187 18 A CA -1.202 50.809 52.037 -0.043 0.000 0.825 18 A CB 0.645 19.623 19.000 -0.038 0.000 1.164 18 A HN 0.672 nan 8.150 nan 0.000 0.498 19 R N 2.493 122.951 120.500 -0.070 0.000 2.649 19 R HA 0.491 4.833 4.340 0.005 0.000 0.270 19 R C -2.424 173.787 176.300 -0.148 0.000 1.105 19 R CA -1.279 54.763 56.100 -0.098 0.000 1.193 19 R CB -0.473 29.780 30.300 -0.079 0.000 1.120 19 R HN 0.406 nan 8.270 nan 0.000 0.561 20 P HA -0.045 nan 4.420 nan 0.000 0.266 20 P C -0.221 176.912 177.300 -0.278 0.000 1.195 20 P CA 0.172 63.015 63.100 -0.428 0.000 0.768 20 P CB 0.920 32.183 31.700 -0.728 0.000 0.838 21 A N 3.618 126.295 122.820 -0.238 0.000 1.897 21 A HA 0.115 4.438 4.320 0.005 0.000 0.215 21 A C 1.411 178.962 177.584 -0.054 0.000 1.181 21 A CA 1.582 53.560 52.037 -0.098 0.000 0.620 21 A CB -1.166 17.807 19.000 -0.044 0.000 0.821 21 A HN 0.645 nan 8.150 nan 0.000 0.443 22 G N -1.053 107.734 108.800 -0.021 0.000 2.563 22 G HA2 0.432 4.395 3.960 0.005 0.000 0.283 22 G HA3 0.432 4.395 3.960 0.005 0.000 0.283 22 G C -0.056 174.888 174.900 0.074 0.000 1.309 22 G CA -0.653 44.482 45.100 0.059 0.000 1.022 22 G HN 0.505 nan 8.290 nan 0.000 0.501 23 R N -0.880 119.685 120.500 0.110 0.000 2.357 23 R HA 0.422 4.765 4.340 0.005 0.000 0.296 23 R C -0.045 176.458 176.300 0.338 0.000 1.052 23 R CA -0.400 55.800 56.100 0.168 0.000 0.988 23 R CB 0.381 30.751 30.300 0.117 0.000 1.025 23 R HN 0.340 nan 8.270 nan 0.000 0.469 24 L N 4.412 125.785 121.223 0.251 0.000 2.399 24 L HA 0.371 4.714 4.340 0.005 0.000 0.266 24 L C -0.431 176.530 176.870 0.152 0.000 1.114 24 L CA -0.948 54.017 54.840 0.209 0.000 0.804 24 L CB 1.084 43.199 42.059 0.093 0.000 1.146 24 L HN 0.488 nan 8.230 nan 0.000 0.451 25 L N 2.702 123.853 121.223 -0.121 0.000 2.276 25 L HA 0.646 4.989 4.340 0.005 0.000 0.286 25 L C -0.128 176.640 176.870 -0.170 0.000 1.024 25 L CA -0.049 54.559 54.840 -0.386 0.000 0.826 25 L CB 1.039 42.440 42.059 -1.095 0.000 1.211 25 L HN 0.634 nan 8.230 nan 0.000 0.422 26 A N 5.019 127.789 122.820 -0.084 0.000 2.301 26 A HA 0.749 5.072 4.320 0.005 0.000 0.312 26 A C -0.919 176.645 177.584 -0.034 0.000 1.182 26 A CA -0.538 51.471 52.037 -0.047 0.000 0.826 26 A CB 1.126 20.104 19.000 -0.036 0.000 1.134 26 A HN 0.514 nan 8.150 nan 0.000 0.501 27 V N 3.809 123.709 119.914 -0.023 0.000 2.384 27 V HA 0.424 4.546 4.120 0.005 0.000 0.287 27 V C -0.417 175.625 176.094 -0.086 0.000 1.020 27 V CA -0.080 62.211 62.300 -0.015 0.000 0.850 27 V CB 1.002 32.848 31.823 0.038 0.000 0.987 27 V HN 0.740 nan 8.190 nan 0.000 0.436 28 I N 2.996 123.467 120.570 -0.165 0.000 2.530 28 I HA 0.415 4.588 4.170 0.005 0.000 0.297 28 I C 0.287 176.287 176.117 -0.196 0.000 1.011 28 I CA -0.195 61.005 61.300 -0.167 0.000 1.107 28 I CB 2.229 40.129 38.000 -0.167 0.000 1.285 28 I HN 0.548 nan 8.210 nan 0.000 0.436 29 S N 6.262 121.895 115.700 -0.111 0.000 2.430 29 S HA 0.367 4.840 4.470 0.005 0.000 0.289 29 S C -1.504 173.069 174.600 -0.045 0.000 1.143 29 S CA -1.490 56.678 58.200 -0.053 0.000 1.067 29 S CB 0.782 64.016 63.200 0.057 0.000 0.964 29 S HN 0.421 nan 8.310 nan 0.000 0.485 30 P HA 0.043 nan 4.420 nan 0.000 0.225 30 P C 0.133 177.370 177.300 -0.105 0.000 1.156 30 P CA 0.658 63.693 63.100 -0.108 0.000 0.787 30 P CB 0.161 31.782 31.700 -0.131 0.000 0.802 31 D N -1.202 119.138 120.400 -0.100 0.000 2.340 31 D HA -0.016 4.627 4.640 0.005 0.000 0.220 31 D C 0.463 176.422 176.300 -0.570 0.000 1.039 31 D CA 0.703 54.528 54.000 -0.293 0.000 0.866 31 D CB -0.225 40.389 40.800 -0.309 0.000 0.913 31 D HN 0.385 nan 8.370 nan 0.000 0.523 32 H N -0.794 118.241 119.070 -0.058 0.000 2.947 32 H HA 0.441 5.000 4.556 0.005 0.000 0.222 32 H C -0.053 175.215 175.328 -0.100 0.000 1.414 32 H CA -0.154 55.863 56.048 -0.052 0.000 1.224 32 H CB 0.721 30.472 29.762 -0.018 0.000 2.100 32 H HN 0.006 nan 8.280 nan 0.000 0.524 33 A N 0.098 122.877 122.820 -0.068 0.000 2.538 33 A HA 0.392 4.715 4.320 0.005 0.000 0.269 33 A C 1.799 179.298 177.584 -0.143 0.000 1.231 33 A CA 0.398 52.359 52.037 -0.127 0.000 0.948 33 A CB 0.268 19.195 19.000 -0.122 0.000 1.110 33 A HN 0.418 nan 8.150 nan 0.000 0.529 34 G N -0.734 107.998 108.800 -0.114 0.000 3.192 34 G HA2 0.445 4.407 3.960 0.005 0.000 0.239 34 G HA3 0.445 4.407 3.960 0.005 0.000 0.239 34 G C 0.630 175.482 174.900 -0.080 0.000 1.084 34 G CA 0.680 45.725 45.100 -0.092 0.000 0.784 34 G HN 0.683 nan 8.290 nan 0.000 0.540 35 A N 1.109 123.862 122.820 -0.112 0.000 2.462 35 A HA 0.549 4.872 4.320 0.005 0.000 0.243 35 A C -0.654 176.883 177.584 -0.078 0.000 1.076 35 A CA -0.796 51.210 52.037 -0.051 0.000 0.773 35 A CB 0.846 19.829 19.000 -0.028 0.000 1.010 35 A HN 0.063 nan 8.150 nan 0.000 0.493 36 P HA -0.201 nan 4.420 nan 0.000 0.216 36 P C 1.558 178.907 177.300 0.081 0.000 1.153 36 P CA 1.996 65.127 63.100 0.051 0.000 0.858 36 P CB -0.181 31.571 31.700 0.088 0.000 0.789 37 W N -0.738 120.570 121.300 0.014 0.000 2.392 37 W HA -0.070 4.597 4.660 0.011 0.000 0.279 37 W C 1.191 177.717 176.519 0.013 0.000 1.225 37 W CA 0.547 57.900 57.345 0.014 0.000 1.233 37 W CB -1.695 27.778 29.460 0.021 0.000 1.122 37 W HN -0.205 nan 8.180 nan 0.000 0.561 38 V N 2.734 122.215 119.914 -0.721 0.000 2.323 38 V HA -0.313 3.810 4.120 0.005 0.000 0.244 38 V C 3.029 178.939 176.094 -0.307 0.000 1.041 38 V CA 3.390 65.244 62.300 -0.743 0.000 1.025 38 V CB -1.376 29.989 31.823 -0.762 0.000 0.656 38 V HN 0.382 nan 8.190 nan 0.000 0.451 39 T N -0.675 113.758 114.554 -0.202 0.000 2.759 39 T HA -0.195 4.158 4.350 0.005 0.000 0.269 39 T C 1.870 176.535 174.700 -0.057 0.000 1.042 39 T CA 1.716 63.752 62.100 -0.107 0.000 1.140 39 T CB -0.488 68.335 68.868 -0.075 0.000 0.864 39 T HN 0.454 nan 8.240 nan 0.000 0.455 40 A N 0.850 123.658 122.820 -0.019 0.000 1.930 40 A HA 0.147 4.470 4.320 0.005 0.000 0.217 40 A C 2.650 180.248 177.584 0.023 0.000 1.175 40 A CA 1.390 53.440 52.037 0.021 0.000 0.627 40 A CB -0.977 18.066 19.000 0.071 0.000 0.815 40 A HN 0.422 nan 8.150 nan 0.000 0.443 41 V N 0.222 120.153 119.914 0.029 0.000 2.307 41 V HA -0.254 3.869 4.120 0.005 0.000 0.245 41 V C 2.580 178.665 176.094 -0.016 0.000 1.045 41 V CA 1.964 64.282 62.300 0.029 0.000 1.024 41 V CB -0.783 31.083 31.823 0.072 0.000 0.651 41 V HN 0.582 nan 8.190 nan 0.000 0.449 42 L N 0.078 121.269 121.223 -0.053 0.000 2.013 42 L HA -0.260 4.083 4.340 0.005 0.000 0.212 42 L C 2.410 179.261 176.870 -0.032 0.000 1.073 42 L CA 2.160 56.970 54.840 -0.051 0.000 0.753 42 L CB -0.747 41.267 42.059 -0.074 0.000 0.890 42 L HN 0.398 nan 8.230 nan 0.000 0.432 43 D N -0.084 120.299 120.400 -0.028 0.000 2.117 43 D HA -0.170 4.473 4.640 0.005 0.000 0.197 43 D C 2.142 178.434 176.300 -0.014 0.000 0.987 43 D CA 1.356 55.344 54.000 -0.019 0.000 0.829 43 D CB 0.100 40.891 40.800 -0.014 0.000 0.961 43 D HN 0.264 nan 8.370 nan 0.000 0.460 44 A N 0.041 122.855 122.820 -0.010 0.000 1.972 44 A HA -0.069 4.254 4.320 0.005 0.000 0.219 44 A C 2.335 179.908 177.584 -0.019 0.000 1.169 44 A CA 0.867 52.898 52.037 -0.011 0.000 0.635 44 A CB -0.650 18.348 19.000 -0.004 0.000 0.810 44 A HN 0.380 nan 8.150 nan 0.000 0.446 45 L N -1.211 120.001 121.223 -0.019 0.000 2.395 45 L HA 0.199 4.542 4.340 0.005 0.000 0.218 45 L C 1.301 178.162 176.870 -0.015 0.000 1.130 45 L CA 0.381 55.208 54.840 -0.020 0.000 0.826 45 L CB -1.111 40.938 42.059 -0.016 0.000 0.941 45 L HN 0.620 nan 8.230 nan 0.000 0.451 46 G N 0.633 109.424 108.800 -0.014 0.000 2.733 46 G HA2 -0.168 3.794 3.960 0.005 0.000 0.686 46 G HA3 -0.168 3.794 3.960 0.005 0.000 0.686 46 G C -2.166 172.730 174.900 -0.005 0.000 1.373 46 G CA -0.335 44.758 45.100 -0.011 0.000 0.838 46 G HN 0.062 nan 8.290 nan 0.000 0.588 47 P HA 0.148 nan 4.420 nan 0.000 0.249 47 P C 0.436 177.741 177.300 0.009 0.000 1.229 47 P CA 0.866 63.966 63.100 -0.000 0.000 0.788 47 P CB 0.306 32.004 31.700 -0.003 0.000 1.072 48 D N -0.525 119.882 120.400 0.012 0.000 2.348 48 D HA 0.001 4.644 4.640 0.005 0.000 0.211 48 D C 0.427 176.755 176.300 0.046 0.000 0.998 48 D CA 0.609 54.623 54.000 0.023 0.000 0.873 48 D CB -0.588 40.221 40.800 0.015 0.000 0.925 48 D HN 0.090 nan 8.370 nan 0.000 0.524 49 T N 1.020 115.598 114.554 0.041 0.000 2.902 49 T HA 0.110 4.463 4.350 0.005 0.000 0.301 49 T C 0.540 175.283 174.700 0.071 0.000 1.012 49 T CA -0.151 61.985 62.100 0.060 0.000 1.151 49 T CB 1.373 70.258 68.868 0.029 0.000 0.946 49 T HN -0.230 nan 8.240 nan 0.000 0.542 50 V N 5.407 125.392 119.914 0.119 0.000 2.583 50 V HA 0.299 4.422 4.120 0.005 0.000 0.287 50 V C 0.655 176.777 176.094 0.048 0.000 1.051 50 V CA -0.339 62.033 62.300 0.120 0.000 1.010 50 V CB 0.873 32.851 31.823 0.259 0.000 0.988 50 V HN 0.722 nan 8.190 nan 0.000 0.478 51 R N 3.640 124.166 120.500 0.044 0.000 2.514 51 R HA 0.543 4.886 4.340 0.005 0.000 0.301 51 R C -1.240 175.102 176.300 0.069 0.000 0.962 51 R CA -0.481 55.629 56.100 0.018 0.000 0.882 51 R CB 1.869 32.158 30.300 -0.018 0.000 1.143 51 R HN 0.609 nan 8.270 nan 0.000 0.452 52 F N 2.148 122.018 119.950 -0.133 0.000 2.460 52 F HA 0.295 4.824 4.527 0.004 0.000 0.341 52 F C -0.502 175.181 175.800 -0.196 0.000 1.130 52 F CA -0.870 57.032 58.000 -0.164 0.000 0.962 52 F CB 1.415 40.292 39.000 -0.206 0.000 1.171 52 F HN 0.437 nan 8.300 nan 0.000 0.436 53 E N 5.066 124.801 120.200 -0.775 0.000 2.105 53 E HA 0.445 4.798 4.350 0.005 0.000 0.285 53 E C -0.549 175.297 176.600 -1.257 0.000 1.055 53 E CA -0.580 55.368 56.400 -0.754 0.000 0.843 53 E CB 1.116 30.576 29.700 -0.401 0.000 1.067 53 E HN 0.673 nan 8.360 nan 0.000 0.398 54 A N 5.029 127.177 122.820 -1.121 0.000 2.527 54 A HA 0.084 4.407 4.320 0.005 0.000 0.313 54 A C 0.103 177.407 177.584 -0.467 0.000 1.410 54 A CA -0.253 51.030 52.037 -1.257 0.000 1.060 54 A CB -0.029 18.270 19.000 -1.168 0.000 1.137 54 A HN 0.457 nan 8.150 nan 0.000 0.542 55 K N 3.037 123.340 120.400 -0.162 0.000 2.227 55 K HA 0.494 4.817 4.320 0.005 0.000 0.280 55 K C 0.982 177.834 176.600 0.421 0.000 1.041 55 K CA 0.670 57.036 56.287 0.131 0.000 0.905 55 K CB 0.588 33.121 32.500 0.055 0.000 1.068 55 K HN 1.273 nan 8.250 nan 0.000 0.470 56 G N 2.562 111.526 108.800 0.274 0.000 2.566 56 G HA2 -0.311 3.651 3.960 0.005 0.000 0.280 56 G HA3 -0.311 3.651 3.960 0.005 0.000 0.280 56 G C -0.379 174.706 174.900 0.308 0.000 1.225 56 G CA 0.325 45.554 45.100 0.215 0.000 0.966 56 G HN 0.775 nan 8.290 nan 0.000 0.560 57 T N -2.670 111.936 114.554 0.086 0.000 3.296 57 T HA 0.532 4.885 4.350 0.005 0.000 0.333 57 T C -1.169 173.279 174.700 -0.420 0.000 1.280 57 T CA 0.409 62.410 62.100 -0.166 0.000 1.558 57 T CB 1.457 70.406 68.868 0.134 0.000 0.929 57 T HN 0.797 nan 8.240 nan 0.000 0.596 58 D N 1.313 121.179 120.400 -0.890 0.000 2.375 58 D HA 0.291 4.934 4.640 0.005 0.000 0.259 58 D C 1.088 176.915 176.300 -0.789 0.000 1.235 58 D CA -0.771 52.881 54.000 -0.581 0.000 0.924 58 D CB 1.493 42.126 40.800 -0.278 0.000 1.143 58 D HN 0.376 nan 8.370 nan 0.000 0.529 59 R N 2.551 122.735 120.500 -0.527 0.000 2.094 59 R HA -0.200 4.143 4.340 0.005 0.000 0.239 59 R C 1.705 177.929 176.300 -0.127 0.000 1.137 59 R CA 2.100 58.005 56.100 -0.326 0.000 0.943 59 R CB 0.024 30.215 30.300 -0.181 0.000 0.850 59 R HN 0.404 nan 8.270 nan 0.000 0.433 60 A N 0.357 123.118 122.820 -0.099 0.000 1.930 60 A HA -0.066 4.257 4.320 0.005 0.000 0.217 60 A C 2.325 179.932 177.584 0.039 0.000 1.175 60 A CA 1.617 53.644 52.037 -0.017 0.000 0.627 60 A CB -0.692 18.296 19.000 -0.019 0.000 0.815 60 A HN 0.569 nan 8.150 nan 0.000 0.443 61 A N -1.008 121.833 122.820 0.034 0.000 1.898 61 A HA -0.105 4.218 4.320 0.005 0.000 0.216 61 A C 1.960 179.734 177.584 0.317 0.000 1.181 61 A CA 1.473 53.599 52.037 0.148 0.000 0.620 61 A CB -0.792 18.302 19.000 0.156 0.000 0.819 61 A HN 0.733 nan 8.150 nan 0.000 0.442 62 W N -0.280 121.092 121.300 0.119 0.000 2.388 62 W HA 0.065 4.728 4.660 0.004 0.000 0.294 62 W C 2.734 179.261 176.519 0.013 0.000 1.212 62 W CA 0.334 57.771 57.345 0.154 0.000 1.271 62 W CB -1.412 28.183 29.460 0.224 0.000 1.126 62 W HN 0.430 nan 8.180 nan 0.000 0.535 63 A N 0.879 123.834 122.820 0.225 0.000 1.908 63 A HA -0.076 4.246 4.320 0.005 0.000 0.218 63 A C 2.295 179.916 177.584 0.062 0.000 1.181 63 A CA 2.994 55.089 52.037 0.096 0.000 0.627 63 A CB -1.107 17.927 19.000 0.057 0.000 0.818 63 A HN 0.151 nan 8.150 nan 0.000 0.445 64 A N -0.918 121.955 122.820 0.088 0.000 1.898 64 A HA -0.193 4.130 4.320 0.005 0.000 0.216 64 A C 2.118 179.739 177.584 0.063 0.000 1.181 64 A CA 1.683 53.761 52.037 0.069 0.000 0.620 64 A CB -0.555 18.491 19.000 0.076 0.000 0.819 64 A HN 0.641 nan 8.150 nan 0.000 0.442 65 Q N -0.443 119.417 119.800 0.100 0.000 2.124 65 Q HA -0.060 4.283 4.340 0.005 0.000 0.202 65 Q C 2.042 177.996 176.000 -0.078 0.000 0.977 65 Q CA 1.417 57.268 55.803 0.081 0.000 0.850 65 Q CB -0.304 28.593 28.738 0.266 0.000 0.901 65 Q HN 0.676 nan 8.270 nan 0.000 0.429 66 L N -0.125 120.974 121.223 -0.208 0.000 2.056 66 L HA -0.145 4.198 4.340 0.005 0.000 0.207 66 L C 2.478 179.296 176.870 -0.086 0.000 1.078 66 L CA 0.856 55.526 54.840 -0.284 0.000 0.749 66 L CB -0.563 41.305 42.059 -0.319 0.000 0.901 66 L HN 0.221 nan 8.230 nan 0.000 0.433 67 A N -0.408 122.391 122.820 -0.035 0.000 1.902 67 A HA -0.288 4.035 4.320 0.005 0.000 0.217 67 A C 2.210 179.804 177.584 0.018 0.000 1.181 67 A CA 1.898 53.937 52.037 0.003 0.000 0.623 67 A CB -0.502 18.504 19.000 0.010 0.000 0.818 67 A HN 0.386 nan 8.150 nan 0.000 0.443 68 Q N -0.085 119.727 119.800 0.019 0.000 2.084 68 Q HA -0.054 4.289 4.340 0.005 0.000 0.202 68 Q C 1.868 177.895 176.000 0.046 0.000 0.978 68 Q CA 1.634 57.456 55.803 0.032 0.000 0.844 68 Q CB -0.493 28.270 28.738 0.041 0.000 0.898 68 Q HN 0.657 nan 8.270 nan 0.000 0.426 69 L N 0.121 121.379 121.223 0.058 0.000 2.046 69 L HA -0.206 4.137 4.340 0.005 0.000 0.208 69 L C 2.468 179.436 176.870 0.165 0.000 1.077 69 L CA 1.910 56.827 54.840 0.129 0.000 0.747 69 L CB -0.437 41.704 42.059 0.137 0.000 0.896 69 L HN 0.313 nan 8.230 nan 0.000 0.432 70 R N -0.215 120.381 120.500 0.161 0.000 2.148 70 R HA -0.150 4.193 4.340 0.005 0.000 0.223 70 R C 1.905 178.204 176.300 -0.002 0.000 1.088 70 R CA 1.183 57.355 56.100 0.119 0.000 0.985 70 R CB -0.483 29.901 30.300 0.140 0.000 0.880 70 R HN 0.359 nan 8.270 nan 0.000 0.451 71 E N 1.342 121.549 120.200 0.011 0.000 2.007 71 E HA -0.198 4.155 4.350 0.005 0.000 0.194 71 E C 1.085 177.670 176.600 -0.025 0.000 0.999 71 E CA 1.696 58.092 56.400 -0.007 0.000 0.811 71 E CB -0.018 29.686 29.700 0.006 0.000 0.762 71 E HN 0.327 nan 8.360 nan 0.000 0.450 72 D N 0.425 120.818 120.400 -0.011 0.000 2.133 72 D HA -0.188 4.455 4.640 0.005 0.000 0.195 72 D C 1.628 177.889 176.300 -0.066 0.000 0.997 72 D CA 1.233 55.221 54.000 -0.020 0.000 0.840 72 D CB -0.159 40.647 40.800 0.009 0.000 0.947 72 D HN 0.350 nan 8.370 nan 0.000 0.452 73 E N -0.026 120.096 120.200 -0.130 0.000 2.431 73 E HA 0.272 4.625 4.350 0.005 0.000 0.200 73 E C 1.428 177.833 176.600 -0.324 0.000 0.995 73 E CA 0.526 56.767 56.400 -0.265 0.000 0.915 73 E CB 0.827 30.268 29.700 -0.433 0.000 0.930 73 E HN 0.221 nan 8.360 nan 0.000 0.496 74 G N 2.889 111.534 108.800 -0.259 0.000 2.741 74 G HA2 -0.294 3.669 3.960 0.005 0.000 0.222 74 G HA3 -0.294 3.669 3.960 0.005 0.000 0.222 74 G C -0.473 174.240 174.900 -0.312 0.000 1.364 74 G CA -0.125 44.852 45.100 -0.206 0.000 0.866 74 G HN 0.279 nan 8.290 nan 0.000 0.555 75 E N -0.713 119.380 120.200 -0.178 0.000 2.534 75 E HA 0.368 4.721 4.350 0.005 0.000 0.264 75 E C -0.196 176.274 176.600 -0.217 0.000 0.981 75 E CA 0.240 56.573 56.400 -0.112 0.000 0.948 75 E CB 0.263 29.945 29.700 -0.030 0.000 0.934 75 E HN 0.425 nan 8.360 nan 0.000 0.459 76 F N 0.416 120.374 119.950 0.014 0.000 2.408 76 F HA 0.150 4.680 4.527 0.005 0.000 0.325 76 F C 1.717 177.551 175.800 0.058 0.000 1.082 76 F CA -0.482 57.541 58.000 0.039 0.000 1.032 76 F CB 0.964 39.981 39.000 0.028 0.000 1.259 76 F HN 0.635 nan 8.300 nan 0.000 0.503 77 H N 0.646 119.849 119.070 0.221 0.000 2.403 77 H HA 0.388 4.947 4.556 0.004 0.000 0.298 77 H C -0.307 175.111 175.328 0.150 0.000 1.059 77 H CA 1.225 57.355 56.048 0.137 0.000 1.363 77 H CB 0.363 30.182 29.762 0.095 0.000 1.410 77 H HN 0.549 nan 8.280 nan 0.000 0.528 78 A N 0.116 123.061 122.820 0.208 0.000 2.586 78 A HA 0.468 4.791 4.320 0.005 0.000 0.291 78 A C -1.510 176.142 177.584 0.113 0.000 1.062 78 A CA -0.505 51.628 52.037 0.160 0.000 0.666 78 A CB 1.254 20.424 19.000 0.284 0.000 1.281 78 A HN 0.006 nan 8.150 nan 0.000 0.421 79 V N 0.959 120.915 119.914 0.071 0.000 2.398 79 V HA 0.537 4.660 4.120 0.005 0.000 0.286 79 V C -0.433 175.703 176.094 0.070 0.000 1.026 79 V CA -0.529 61.762 62.300 -0.014 0.000 0.868 79 V CB 1.339 33.121 31.823 -0.068 0.000 0.982 79 V HN 0.689 nan 8.190 nan 0.000 0.443 80 V N 3.826 123.762 119.914 0.037 0.000 2.334 80 V HA 0.380 4.503 4.120 0.005 0.000 0.281 80 V C 0.335 176.462 176.094 0.055 0.000 1.016 80 V CA -0.235 62.110 62.300 0.074 0.000 0.832 80 V CB 1.574 33.420 31.823 0.038 0.000 0.999 80 V HN 0.868 nan 8.190 nan 0.000 0.439 81 S N 5.080 120.833 115.700 0.089 0.000 2.475 81 S HA 0.547 5.020 4.470 0.005 0.000 0.281 81 S C 0.297 174.966 174.600 0.115 0.000 1.198 81 S CA -0.525 57.725 58.200 0.084 0.000 1.063 81 S CB 0.550 63.814 63.200 0.106 0.000 0.972 81 S HN 0.646 nan 8.310 nan 0.000 0.486 82 L N 5.921 127.178 121.223 0.056 0.000 2.928 82 L HA 0.306 4.648 4.340 0.005 0.000 0.246 82 L C 1.112 178.009 176.870 0.046 0.000 1.239 82 L CA 0.003 54.863 54.840 0.033 0.000 1.035 82 L CB -0.056 41.904 42.059 -0.166 0.000 1.360 82 L HN 0.652 nan 8.230 nan 0.000 0.529 83 L N -0.046 121.231 121.223 0.091 0.000 2.291 83 L HA -0.050 4.293 4.340 0.005 0.000 0.214 83 L C 2.708 179.661 176.870 0.138 0.000 1.120 83 L CA 0.718 55.607 54.840 0.083 0.000 0.799 83 L CB -0.406 41.710 42.059 0.095 0.000 0.925 83 L HN 0.404 nan 8.230 nan 0.000 0.446 84 A N 0.483 123.440 122.820 0.229 0.000 2.076 84 A HA -0.153 4.170 4.320 0.005 0.000 0.220 84 A C 2.503 180.266 177.584 0.298 0.000 1.160 84 A CA 1.489 53.688 52.037 0.269 0.000 0.653 84 A CB -0.466 18.726 19.000 0.319 0.000 0.801 84 A HN 0.393 nan 8.150 nan 0.000 0.455 85 A N -0.340 122.685 122.820 0.343 0.000 2.125 85 A HA 0.342 4.665 4.320 0.005 0.000 0.219 85 A C 1.516 179.167 177.584 0.112 0.000 1.156 85 A CA 1.020 53.231 52.037 0.291 0.000 0.671 85 A CB -0.732 18.329 19.000 0.102 0.000 0.794 85 A HN 1.113 nan 8.150 nan 0.000 0.459 86 A N 0.426 123.235 122.820 -0.018 0.000 2.666 86 A HA 0.404 4.727 4.320 0.005 0.000 0.301 86 A C 0.674 178.122 177.584 -0.226 0.000 1.470 86 A CA -0.185 51.627 52.037 -0.375 0.000 1.159 86 A CB -0.336 18.452 19.000 -0.353 0.000 1.116 86 A HN 0.556 nan 8.150 nan 0.000 0.548 87 E N 1.981 122.086 120.200 -0.160 0.000 2.340 87 E HA 0.119 4.472 4.350 0.005 0.000 0.194 87 E C 1.084 177.655 176.600 -0.048 0.000 0.996 87 E CA 0.343 56.720 56.400 -0.038 0.000 0.869 87 E CB 0.197 29.918 29.700 0.034 0.000 0.835 87 E HN 0.822 nan 8.360 nan 0.000 0.493 88 A N 1.468 124.228 122.820 -0.101 0.000 2.520 88 A HA 0.109 4.432 4.320 0.005 0.000 0.235 88 A C 0.175 177.756 177.584 -0.004 0.000 1.065 88 A CA -0.026 52.005 52.037 -0.010 0.000 0.764 88 A CB 0.083 19.119 19.000 0.060 0.000 1.002 88 A HN 0.162 nan 8.150 nan 0.000 0.502 89 L N 1.400 122.644 121.223 0.034 0.000 2.439 89 L HA 0.131 4.473 4.340 0.005 0.000 0.269 89 L C 0.896 177.828 176.870 0.104 0.000 1.179 89 L CA -0.194 54.684 54.840 0.063 0.000 0.828 89 L CB 0.347 42.440 42.059 0.057 0.000 1.106 89 L HN 0.881 nan 8.230 nan 0.000 0.467 90 H N 0.670 119.771 119.070 0.051 0.000 2.848 90 H HA -0.082 4.477 4.556 0.004 0.000 0.341 90 H C 1.211 176.563 175.328 0.040 0.000 1.060 90 H CA 0.514 56.606 56.048 0.074 0.000 1.444 90 H CB 1.187 31.031 29.762 0.138 0.000 1.446 90 H HN 0.690 nan 8.280 nan 0.000 0.583 91 T N 2.186 116.785 114.554 0.075 0.000 2.822 91 T HA -0.164 4.189 4.350 0.005 0.000 0.270 91 T C 0.938 175.705 174.700 0.113 0.000 1.064 91 T CA 2.066 64.211 62.100 0.075 0.000 1.131 91 T CB -0.095 68.767 68.868 -0.009 0.000 0.858 91 T HN 0.703 nan 8.240 nan 0.000 0.483 92 D N -0.656 119.906 120.400 0.269 0.000 2.398 92 D HA 0.102 4.745 4.640 0.005 0.000 0.210 92 D C -0.124 175.800 176.300 -0.627 0.000 1.094 92 D CA 0.145 54.018 54.000 -0.213 0.000 0.839 92 D CB 0.288 40.864 40.800 -0.374 0.000 0.963 92 D HN 0.500 nan 8.370 nan 0.000 0.506 93 H N -0.254 118.835 119.070 0.032 0.000 2.974 93 H HA 0.262 4.821 4.556 0.005 0.000 0.285 93 H C 1.136 176.475 175.328 0.017 0.000 1.227 93 H CA -0.362 55.653 56.048 -0.054 0.000 1.569 93 H CB 1.168 30.801 29.762 -0.215 0.000 1.648 93 H HN -0.046 nan 8.280 nan 0.000 0.521 94 G N 1.119 109.966 108.800 0.077 0.000 2.559 94 G HA2 -0.150 3.813 3.960 0.005 0.000 0.216 94 G HA3 -0.150 3.813 3.960 0.005 0.000 0.216 94 G C 0.886 175.809 174.900 0.039 0.000 1.126 94 G CA 0.329 45.466 45.100 0.061 0.000 0.778 94 G HN 0.362 nan 8.290 nan 0.000 0.543 95 S N -0.590 115.129 115.700 0.031 0.000 2.557 95 S HA 0.294 4.767 4.470 0.005 0.000 0.223 95 S C 0.096 174.681 174.600 -0.025 0.000 0.969 95 S CA -0.310 57.877 58.200 -0.021 0.000 0.927 95 S CB 1.011 64.191 63.200 -0.033 0.000 0.806 95 S HN 0.042 nan 8.310 nan 0.000 0.489 96 V N 3.896 123.828 119.914 0.030 0.000 2.334 96 V HA 0.341 4.464 4.120 0.005 0.000 0.281 96 V C -2.677 173.458 176.094 0.068 0.000 1.016 96 V CA -2.405 59.913 62.300 0.031 0.000 0.832 96 V CB 1.145 32.984 31.823 0.026 0.000 0.999 96 V HN 0.028 nan 8.190 nan 0.000 0.439 97 P HA -0.008 nan 4.420 nan 0.000 0.262 97 P C 0.815 178.161 177.300 0.078 0.000 1.182 97 P CA -0.036 63.089 63.100 0.041 0.000 0.761 97 P CB 0.666 32.385 31.700 0.031 0.000 0.795 98 L N 5.134 126.392 121.223 0.058 0.000 2.051 98 L HA -0.168 4.175 4.340 0.005 0.000 0.214 98 L C 2.186 179.110 176.870 0.090 0.000 1.076 98 L CA 2.684 57.572 54.840 0.079 0.000 0.758 98 L CB -1.517 40.522 42.059 -0.035 0.000 0.890 98 L HN 0.524 nan 8.230 nan 0.000 0.433 99 G N -0.923 107.901 108.800 0.041 0.000 2.432 99 G HA2 -0.265 3.698 3.960 0.005 0.000 0.219 99 G HA3 -0.265 3.698 3.960 0.005 0.000 0.219 99 G C 1.556 176.529 174.900 0.123 0.000 1.135 99 G CA 0.930 46.078 45.100 0.081 0.000 0.767 99 G HN 0.430 nan 8.290 nan 0.000 0.550 100 L N 1.076 122.364 121.223 0.109 0.000 2.023 100 L HA 0.302 4.645 4.340 0.005 0.000 0.205 100 L C 3.099 180.032 176.870 0.105 0.000 1.073 100 L CA 2.063 56.966 54.840 0.105 0.000 0.745 100 L CB -0.747 41.360 42.059 0.080 0.000 0.900 100 L HN 0.194 nan 8.230 nan 0.000 0.435 101 A N -0.930 121.956 122.820 0.109 0.000 1.892 101 A HA -0.295 4.027 4.320 0.005 0.000 0.218 101 A C 2.204 179.885 177.584 0.162 0.000 1.188 101 A CA 2.128 54.226 52.037 0.101 0.000 0.631 101 A CB -0.728 18.377 19.000 0.175 0.000 0.822 101 A HN 0.680 nan 8.150 nan 0.000 0.447 102 Q N -1.213 118.733 119.800 0.243 0.000 2.167 102 Q HA -0.105 4.238 4.340 0.005 0.000 0.202 102 Q C 2.132 178.352 176.000 0.366 0.000 0.970 102 Q CA 1.664 57.715 55.803 0.414 0.000 0.855 102 Q CB -0.314 28.668 28.738 0.406 0.000 0.911 102 Q HN 0.690 nan 8.270 nan 0.000 0.438 103 T N 1.514 116.207 114.554 0.231 0.000 2.746 103 T HA -0.138 4.214 4.350 0.005 0.000 0.267 103 T C 1.761 176.566 174.700 0.174 0.000 1.039 103 T CA 0.965 63.182 62.100 0.196 0.000 1.142 103 T CB -0.230 68.735 68.868 0.161 0.000 0.866 103 T HN 0.157 nan 8.240 nan 0.000 0.444 104 L N 0.781 122.082 121.223 0.130 0.000 2.012 104 L HA -0.025 4.317 4.340 0.005 0.000 0.210 104 L C 2.018 178.942 176.870 0.091 0.000 1.073 104 L CA 1.665 56.549 54.840 0.074 0.000 0.748 104 L CB -0.682 41.395 42.059 0.030 0.000 0.891 104 L HN 0.119 nan 8.230 nan 0.000 0.431 105 L N -1.133 120.166 121.223 0.127 0.000 2.093 105 L HA -0.146 4.197 4.340 0.005 0.000 0.208 105 L C 2.306 179.366 176.870 0.317 0.000 1.085 105 L CA 1.395 56.292 54.840 0.095 0.000 0.755 105 L CB -1.034 40.907 42.059 -0.196 0.000 0.904 105 L HN 0.354 nan 8.230 nan 0.000 0.435 106 L N -0.294 121.219 121.223 0.484 0.000 2.017 106 L HA -0.154 4.189 4.340 0.005 0.000 0.208 106 L C 2.538 179.518 176.870 0.182 0.000 1.073 106 L CA 2.066 57.130 54.840 0.374 0.000 0.745 106 L CB -0.916 41.300 42.059 0.262 0.000 0.894 106 L HN 0.183 nan 8.230 nan 0.000 0.432 107 A N -1.174 121.723 122.820 0.128 0.000 1.908 107 A HA -0.273 4.050 4.320 0.005 0.000 0.218 107 A C 2.207 179.773 177.584 -0.030 0.000 1.181 107 A CA 1.975 54.036 52.037 0.040 0.000 0.627 107 A CB -0.607 18.410 19.000 0.028 0.000 0.818 107 A HN 0.682 nan 8.150 nan 0.000 0.445 108 Q N -0.878 118.924 119.800 0.003 0.000 2.046 108 Q HA -0.045 4.298 4.340 0.005 0.000 0.200 108 Q C 2.425 178.420 176.000 -0.008 0.000 0.975 108 Q CA 1.374 57.160 55.803 -0.029 0.000 0.836 108 Q CB -0.347 28.383 28.738 -0.013 0.000 0.896 108 Q HN 0.675 nan 8.270 nan 0.000 0.428 109 A N 0.573 123.432 122.820 0.065 0.000 1.969 109 A HA -0.110 4.213 4.320 0.005 0.000 0.218 109 A C 2.025 179.628 177.584 0.032 0.000 1.169 109 A CA 0.822 52.910 52.037 0.086 0.000 0.635 109 A CB -0.519 18.626 19.000 0.242 0.000 0.810 109 A HN 0.262 nan 8.150 nan 0.000 0.445 110 L N -0.734 120.496 121.223 0.011 0.000 2.017 110 L HA -0.139 4.204 4.340 0.005 0.000 0.208 110 L C 2.880 179.724 176.870 -0.043 0.000 1.073 110 L CA 1.252 56.074 54.840 -0.030 0.000 0.745 110 L CB -0.858 41.184 42.059 -0.029 0.000 0.894 110 L HN 0.478 nan 8.230 nan 0.000 0.432 111 G N -0.417 108.336 108.800 -0.080 0.000 2.440 111 G HA2 -0.276 3.687 3.960 0.005 0.000 0.218 111 G HA3 -0.276 3.687 3.960 0.005 0.000 0.218 111 G C 1.128 176.002 174.900 -0.043 0.000 1.154 111 G CA 1.000 46.043 45.100 -0.094 0.000 0.767 111 G HN 0.311 nan 8.290 nan 0.000 0.552 112 D N 1.062 121.444 120.400 -0.029 0.000 2.123 112 D HA -0.051 4.591 4.640 0.005 0.000 0.196 112 D C 2.690 178.988 176.300 -0.003 0.000 0.992 112 D CA 1.374 55.368 54.000 -0.010 0.000 0.833 112 D CB -0.421 40.379 40.800 0.001 0.000 0.954 112 D HN 0.342 nan 8.370 nan 0.000 0.455 113 A N -0.405 122.412 122.820 -0.004 0.000 2.208 113 A HA 0.374 4.697 4.320 0.005 0.000 0.209 113 A C 1.765 179.349 177.584 0.001 0.000 1.161 113 A CA 1.164 53.200 52.037 -0.002 0.000 0.782 113 A CB -0.230 18.762 19.000 -0.014 0.000 0.816 113 A HN 0.278 nan 8.150 nan 0.000 0.477 114 G N -1.436 107.363 108.800 -0.002 0.000 2.147 114 G HA2 -0.188 3.774 3.960 0.005 0.000 0.244 114 G HA3 -0.188 3.774 3.960 0.005 0.000 0.244 114 G C -0.138 174.772 174.900 0.017 0.000 1.005 114 G CA 0.214 45.317 45.100 0.005 0.000 0.713 114 G HN 0.374 nan 8.290 nan 0.000 0.515 115 L N 1.427 122.660 121.223 0.016 0.000 2.361 115 L HA 0.480 4.823 4.340 0.005 0.000 0.278 115 L C 1.778 178.665 176.870 0.028 0.000 1.113 115 L CA 1.271 56.136 54.840 0.042 0.000 0.849 115 L CB 1.311 43.388 42.059 0.030 0.000 1.155 115 L HN 0.361 nan 8.230 nan 0.000 0.452 116 T N -0.786 113.794 114.554 0.043 0.000 3.054 116 T HA 0.418 4.770 4.350 0.005 0.000 0.255 116 T C 0.700 175.415 174.700 0.024 0.000 1.035 116 T CA 0.060 62.176 62.100 0.026 0.000 0.941 116 T CB 0.256 69.137 68.868 0.022 0.000 1.026 116 T HN 0.505 nan 8.240 nan 0.000 0.533 117 A N 2.928 125.776 122.820 0.047 0.000 2.462 117 A HA 0.551 4.874 4.320 0.005 0.000 0.243 117 A C -2.472 175.109 177.584 -0.005 0.000 1.076 117 A CA -1.330 50.727 52.037 0.034 0.000 0.773 117 A CB -0.230 18.836 19.000 0.109 0.000 1.010 117 A HN 0.226 nan 8.150 nan 0.000 0.493 118 P HA 0.194 nan 4.420 nan 0.000 0.268 118 P C -0.618 176.599 177.300 -0.139 0.000 1.204 118 P CA -0.098 62.924 63.100 -0.129 0.000 0.768 118 P CB 0.419 32.015 31.700 -0.174 0.000 0.842 119 L N 5.128 126.206 121.223 -0.241 0.000 2.276 119 L HA 0.490 4.832 4.340 0.005 0.000 0.286 119 L C -1.378 175.107 176.870 -0.642 0.000 1.061 119 L CA -0.202 54.509 54.840 -0.215 0.000 0.807 119 L CB 0.093 42.159 42.059 0.012 0.000 1.177 119 L HN 0.311 nan 8.230 nan 0.000 0.429 120 W N 4.519 125.618 121.300 -0.335 0.000 2.529 120 W HA 0.535 5.196 4.660 0.002 0.000 0.321 120 W C -0.741 175.641 176.519 -0.228 0.000 1.047 120 W CA -0.380 56.721 57.345 -0.406 0.000 1.216 120 W CB 1.779 31.092 29.460 -0.244 0.000 1.357 120 W HN 0.442 nan 8.180 nan 0.000 0.489 121 C N 5.171 124.459 119.300 -0.020 0.000 2.264 121 C HA 0.528 4.991 4.460 0.005 0.000 0.324 121 C C 0.254 175.299 174.990 0.092 0.000 1.267 121 C CA -0.796 58.269 59.018 0.078 0.000 1.618 121 C CB -1.018 26.791 27.740 0.115 0.000 2.278 121 C HN 0.402 nan 8.230 nan 0.000 0.499 122 L N 4.497 125.837 121.223 0.194 0.000 2.307 122 L HA 0.654 4.997 4.340 0.005 0.000 0.282 122 L C 0.652 177.666 176.870 0.241 0.000 1.051 122 L CA 0.194 55.181 54.840 0.245 0.000 0.804 122 L CB 1.275 43.565 42.059 0.384 0.000 1.197 122 L HN 0.765 nan 8.230 nan 0.000 0.431 123 T N -0.223 114.356 114.554 0.043 0.000 2.887 123 T HA 0.568 4.921 4.350 0.005 0.000 0.292 123 T C -0.437 173.882 174.700 -0.635 0.000 1.087 123 T CA -1.039 60.978 62.100 -0.140 0.000 1.009 123 T CB 2.616 71.648 68.868 0.273 0.000 1.203 123 T HN 0.447 nan 8.240 nan 0.000 0.518 124 R N 0.060 120.089 120.500 -0.785 0.000 2.507 124 R HA 0.501 4.844 4.340 0.005 0.000 0.298 124 R C 0.610 176.678 176.300 -0.388 0.000 1.087 124 R CA 0.277 55.896 56.100 -0.802 0.000 0.917 124 R CB 0.821 30.192 30.300 -1.547 0.000 1.173 124 R HN 1.394 nan 8.270 nan 0.000 0.472 125 G N 1.993 110.630 108.800 -0.271 0.000 2.137 125 G HA2 -0.263 3.700 3.960 0.005 0.000 0.237 125 G HA3 -0.263 3.700 3.960 0.005 0.000 0.237 125 G C 0.675 175.468 174.900 -0.179 0.000 1.002 125 G CA 0.325 45.304 45.100 -0.201 0.000 0.702 125 G HN 0.737 nan 8.290 nan 0.000 0.515 126 G N -1.181 107.513 108.800 -0.177 0.000 2.777 126 G HA2 0.501 4.464 3.960 0.005 0.000 0.211 126 G HA3 0.501 4.464 3.960 0.005 0.000 0.211 126 G C 0.751 175.402 174.900 -0.415 0.000 1.149 126 G CA 1.646 46.643 45.100 -0.171 0.000 0.785 126 G HN 1.781 nan 8.290 nan 0.000 0.536 127 V N -4.177 115.448 119.914 -0.482 0.000 3.159 127 V HA 0.870 4.993 4.120 0.005 0.000 0.308 127 V C -0.834 174.978 176.094 -0.469 0.000 1.190 127 V CA -1.277 60.692 62.300 -0.551 0.000 1.037 127 V CB 1.619 32.931 31.823 -0.852 0.000 1.060 127 V HN 0.328 nan 8.190 nan 0.000 0.437 128 A N 1.641 124.222 122.820 -0.399 0.000 2.322 128 A HA 0.936 5.259 4.320 0.005 0.000 0.327 128 A C 0.126 177.364 177.584 -0.578 0.000 1.394 128 A CA 0.047 51.866 52.037 -0.364 0.000 0.921 128 A CB 0.105 18.997 19.000 -0.178 0.000 1.153 128 A HN 2.188 nan 8.150 nan 0.000 0.523 129 A N 2.433 124.785 122.820 -0.780 0.000 2.311 129 A HA 0.851 5.174 4.320 0.005 0.000 0.306 129 A C 0.501 177.816 177.584 -0.447 0.000 1.189 129 A CA 0.116 51.484 52.037 -1.115 0.000 0.791 129 A CB 0.271 18.280 19.000 -1.652 0.000 1.172 129 A HN 2.728 nan 8.150 nan 0.000 0.481 130 G N 2.076 110.757 108.800 -0.197 0.000 2.712 130 G HA2 0.021 3.984 3.960 0.005 0.000 0.686 130 G HA3 0.021 3.984 3.960 0.005 0.000 0.686 130 G C -0.170 174.693 174.900 -0.060 0.000 1.321 130 G CA -0.368 44.694 45.100 -0.064 0.000 0.813 130 G HN 1.725 nan 8.290 nan 0.000 0.599 131 R N 0.698 121.184 120.500 -0.022 0.000 2.491 131 R HA 0.511 4.854 4.340 0.005 0.000 0.283 131 R C 1.266 177.544 176.300 -0.038 0.000 1.072 131 R CA 0.560 56.650 56.100 -0.018 0.000 1.048 131 R CB 0.749 31.049 30.300 0.000 0.000 0.983 131 R HN 2.629 nan 8.270 nan 0.000 0.450 132 G N 1.614 110.389 108.800 -0.041 0.000 2.179 132 G HA2 -0.310 3.653 3.960 0.005 0.000 0.260 132 G HA3 -0.310 3.653 3.960 0.005 0.000 0.260 132 G C -0.219 174.639 174.900 -0.070 0.000 0.977 132 G CA 0.475 45.546 45.100 -0.049 0.000 0.641 132 G HN 0.813 nan 8.290 nan 0.000 0.533 133 D N 0.049 120.393 120.400 -0.094 0.000 2.382 133 D HA 0.462 5.105 4.640 0.005 0.000 0.245 133 D C 0.389 176.617 176.300 -0.121 0.000 1.120 133 D CA -0.038 53.885 54.000 -0.128 0.000 0.890 133 D CB 1.299 41.979 40.800 -0.200 0.000 1.201 133 D HN 0.162 nan 8.370 nan 0.000 0.433 134 V N 5.080 124.927 119.914 -0.112 0.000 2.370 134 V HA 0.199 4.322 4.120 0.005 0.000 0.283 134 V C 0.270 176.306 176.094 -0.096 0.000 1.023 134 V CA -0.871 61.375 62.300 -0.091 0.000 0.857 134 V CB 1.444 33.228 31.823 -0.065 0.000 0.985 134 V HN 0.521 nan 8.190 nan 0.000 0.443 135 L N 5.281 126.454 121.223 -0.083 0.000 2.454 135 L HA 0.150 4.493 4.340 0.005 0.000 0.284 135 L C 1.588 178.496 176.870 0.063 0.000 1.139 135 L CA 0.094 54.891 54.840 -0.072 0.000 0.911 135 L CB 1.046 43.048 42.059 -0.095 0.000 1.262 135 L HN 0.917 nan 8.230 nan 0.000 0.453 136 S N 0.809 116.509 115.700 -0.001 0.000 2.470 136 S HA -0.002 4.471 4.470 0.005 0.000 0.225 136 S C 0.883 175.401 174.600 -0.136 0.000 1.006 136 S CA 0.216 58.430 58.200 0.024 0.000 0.934 136 S CB 0.184 63.382 63.200 -0.003 0.000 0.778 136 S HN 0.539 nan 8.310 nan 0.000 0.517 137 S N 2.138 117.745 115.700 -0.154 0.000 2.395 137 S HA 0.491 4.964 4.470 0.005 0.000 0.207 137 S C -2.375 172.143 174.600 -0.136 0.000 1.454 137 S CA -1.482 56.627 58.200 -0.152 0.000 1.211 137 S CB 1.197 64.360 63.200 -0.061 0.000 1.093 137 S HN 0.009 nan 8.310 nan 0.000 0.472 138 P HA -0.120 nan 4.420 nan 0.000 0.218 138 P C 1.867 179.212 177.300 0.074 0.000 1.148 138 P CA 1.246 64.233 63.100 -0.190 0.000 0.822 138 P CB -0.323 31.128 31.700 -0.414 0.000 0.784 139 V N -1.396 118.626 119.914 0.179 0.000 2.282 139 V HA -0.314 3.809 4.120 0.005 0.000 0.249 139 V C 2.223 178.421 176.094 0.174 0.000 1.057 139 V CA 1.881 64.310 62.300 0.215 0.000 1.032 139 V CB -2.032 29.863 31.823 0.120 0.000 0.645 139 V HN 0.089 nan 8.190 nan 0.000 0.447 140 Q N 0.947 120.825 119.800 0.130 0.000 2.167 140 Q HA -0.003 4.340 4.340 0.005 0.000 0.202 140 Q C 2.430 178.580 176.000 0.250 0.000 0.970 140 Q CA 1.394 57.302 55.803 0.175 0.000 0.855 140 Q CB -0.609 28.208 28.738 0.132 0.000 0.911 140 Q HN 0.799 nan 8.270 nan 0.000 0.438 141 G N 1.077 109.964 108.800 0.145 0.000 2.475 141 G HA2 -0.283 3.680 3.960 0.005 0.000 0.220 141 G HA3 -0.283 3.680 3.960 0.005 0.000 0.220 141 G C 1.468 176.504 174.900 0.227 0.000 1.125 141 G CA 0.907 46.075 45.100 0.114 0.000 0.755 141 G HN 0.424 nan 8.290 nan 0.000 0.565 142 A N 0.212 123.175 122.820 0.239 0.000 2.019 142 A HA 0.117 4.440 4.320 0.005 0.000 0.219 142 A C 2.313 180.037 177.584 0.233 0.000 1.164 142 A CA 1.264 53.440 52.037 0.232 0.000 0.644 142 A CB -0.313 18.815 19.000 0.213 0.000 0.805 142 A HN 0.383 nan 8.150 nan 0.000 0.449 143 L N -2.064 119.322 121.223 0.272 0.000 2.191 143 L HA -0.145 4.198 4.340 0.005 0.000 0.212 143 L C 2.101 179.109 176.870 0.231 0.000 1.103 143 L CA 1.168 56.147 54.840 0.232 0.000 0.769 143 L CB -0.217 41.977 42.059 0.224 0.000 0.908 143 L HN 0.633 nan 8.230 nan 0.000 0.438 144 W N -0.847 120.530 121.300 0.129 0.000 2.436 144 W HA 0.053 4.724 4.660 0.018 0.000 0.284 144 W C 2.426 179.004 176.519 0.098 0.000 1.225 144 W CA 0.958 58.393 57.345 0.149 0.000 1.271 144 W CB -1.003 28.552 29.460 0.159 0.000 1.114 144 W HN 0.131 nan 8.180 nan 0.000 0.559 145 G N 0.351 109.315 108.800 0.274 0.000 2.402 145 G HA2 -0.245 3.718 3.960 0.005 0.000 0.216 145 G HA3 -0.245 3.718 3.960 0.005 0.000 0.216 145 G C 1.474 176.417 174.900 0.072 0.000 1.162 145 G CA 1.085 46.270 45.100 0.142 0.000 0.777 145 G HN 0.207 nan 8.290 nan 0.000 0.539 146 L N 1.546 122.804 121.223 0.058 0.000 2.046 146 L HA 0.139 4.482 4.340 0.005 0.000 0.208 146 L C 2.747 179.536 176.870 -0.134 0.000 1.077 146 L CA 2.445 57.275 54.840 -0.016 0.000 0.747 146 L CB -0.925 41.143 42.059 0.015 0.000 0.896 146 L HN 0.152 nan 8.230 nan 0.000 0.432 147 G N -0.988 107.744 108.800 -0.114 0.000 2.422 147 G HA2 -0.236 3.727 3.960 0.005 0.000 0.218 147 G HA3 -0.236 3.727 3.960 0.005 0.000 0.218 147 G C 1.752 176.310 174.900 -0.570 0.000 1.146 147 G CA 0.652 45.523 45.100 -0.382 0.000 0.769 147 G HN 0.376 nan 8.290 nan 0.000 0.547 148 R N -0.309 120.090 120.500 -0.168 0.000 2.091 148 R HA -0.050 4.293 4.340 0.005 0.000 0.238 148 R C 2.650 178.810 176.300 -0.234 0.000 1.136 148 R CA 1.249 57.287 56.100 -0.104 0.000 0.959 148 R CB -0.441 29.921 30.300 0.102 0.000 0.856 148 R HN 0.328 nan 8.270 nan 0.000 0.437 149 V N 1.234 121.030 119.914 -0.196 0.000 2.427 149 V HA -0.208 3.915 4.120 0.005 0.000 0.248 149 V C 2.204 178.110 176.094 -0.314 0.000 1.051 149 V CA 1.545 63.742 62.300 -0.171 0.000 1.048 149 V CB -0.352 31.429 31.823 -0.070 0.000 0.666 149 V HN 0.284 nan 8.190 nan 0.000 0.456 150 I N 1.034 121.307 120.570 -0.495 0.000 2.264 150 I HA -0.177 3.996 4.170 0.005 0.000 0.248 150 I C 2.527 178.209 176.117 -0.725 0.000 1.111 150 I CA 1.693 62.651 61.300 -0.570 0.000 1.382 150 I CB -0.841 36.657 38.000 -0.837 0.000 1.060 150 I HN 0.417 nan 8.210 nan 0.000 0.418 151 G N 0.786 108.905 108.800 -1.136 0.000 2.443 151 G HA2 -0.118 3.845 3.960 0.005 0.000 0.219 151 G HA3 -0.118 3.845 3.960 0.005 0.000 0.219 151 G C 1.677 176.375 174.900 -0.337 0.000 1.131 151 G CA 0.334 44.964 45.100 -0.783 0.000 0.775 151 G HN 0.286 nan 8.290 nan 0.000 0.547 152 L N -0.404 120.620 121.223 -0.331 0.000 2.209 152 L HA 0.141 4.484 4.340 0.005 0.000 0.207 152 L C 2.681 179.394 176.870 -0.263 0.000 1.094 152 L CA 0.717 55.390 54.840 -0.280 0.000 0.790 152 L CB -0.129 41.792 42.059 -0.229 0.000 0.932 152 L HN 0.217 nan 8.230 nan 0.000 0.447 153 E N -1.098 118.920 120.200 -0.304 0.000 2.190 153 E HA -0.011 4.342 4.350 0.005 0.000 0.191 153 E C 0.400 176.586 176.600 -0.689 0.000 0.978 153 E CA 0.536 56.669 56.400 -0.445 0.000 0.839 153 E CB 0.363 29.788 29.700 -0.459 0.000 0.787 153 E HN 0.478 nan 8.360 nan 0.000 0.473 154 H N -0.022 118.975 119.070 -0.121 0.000 2.591 154 H HA 0.144 4.703 4.556 0.004 0.000 0.241 154 H C -1.801 173.514 175.328 -0.021 0.000 1.292 154 H CA -1.511 54.501 56.048 -0.060 0.000 1.022 154 H CB 0.564 30.302 29.762 -0.040 0.000 1.875 154 H HN 0.132 nan 8.280 nan 0.000 0.570 155 P HA -0.172 nan 4.420 nan 0.000 0.217 155 P C 0.756 178.096 177.300 0.066 0.000 1.148 155 P CA 1.221 64.338 63.100 0.029 0.000 0.828 155 P CB 0.513 32.187 31.700 -0.043 0.000 0.783 156 D N -0.204 120.229 120.400 0.055 0.000 2.323 156 D HA -0.051 4.592 4.640 0.005 0.000 0.209 156 D C 1.585 177.911 176.300 0.043 0.000 0.973 156 D CA 0.633 54.656 54.000 0.039 0.000 0.874 156 D CB 0.022 40.838 40.800 0.026 0.000 0.930 156 D HN 0.491 nan 8.370 nan 0.000 0.521 157 R N -0.445 120.105 120.500 0.084 0.000 2.662 157 R HA 0.145 4.488 4.340 0.005 0.000 0.396 157 R C -0.171 176.194 176.300 0.109 0.000 1.096 157 R CA -0.576 55.562 56.100 0.063 0.000 1.081 157 R CB -0.281 30.048 30.300 0.048 0.000 1.382 157 R HN 0.012 nan 8.270 nan 0.000 0.580 158 W N 1.269 122.482 121.300 -0.145 0.000 2.417 158 W HA 0.421 5.082 4.660 0.002 0.000 0.315 158 W C -0.428 175.835 176.519 -0.425 0.000 1.045 158 W CA -0.610 56.589 57.345 -0.244 0.000 1.221 158 W CB 1.913 31.262 29.460 -0.184 0.000 1.309 158 W HN 0.216 nan 8.180 nan 0.000 0.453 159 G N 3.059 110.991 108.800 -1.446 0.000 2.518 159 G HA2 0.378 4.341 3.960 0.005 0.000 0.213 159 G HA3 0.378 4.341 3.960 0.005 0.000 0.213 159 G C 0.340 173.604 174.900 -2.728 0.000 1.226 159 G CA 0.961 44.746 45.100 -2.193 0.000 0.822 159 G HN 0.848 nan 8.290 nan 0.000 0.546 160 G N -1.667 105.353 108.800 -2.967 0.000 2.345 160 G HA2 0.374 4.337 3.960 0.005 0.000 0.285 160 G HA3 0.374 4.337 3.960 0.005 0.000 0.285 160 G C -1.988 172.433 174.900 -0.799 0.000 1.297 160 G CA -0.837 43.282 45.100 -1.634 0.000 0.875 160 G HN 0.463 nan 8.290 nan 0.000 0.506 161 L N 0.193 121.253 121.223 -0.271 0.000 2.362 161 L HA 0.815 5.158 4.340 0.005 0.000 0.271 161 L C -0.435 176.386 176.870 -0.081 0.000 1.002 161 L CA -0.763 53.840 54.840 -0.394 0.000 0.818 161 L CB 2.063 43.310 42.059 -1.354 0.000 1.298 161 L HN 0.488 nan 8.230 nan 0.000 0.420 162 I N 1.469 122.088 120.570 0.080 0.000 2.571 162 I HA 0.228 4.401 4.170 0.005 0.000 0.289 162 I C -1.269 175.033 176.117 0.308 0.000 1.115 162 I CA -0.485 60.976 61.300 0.268 0.000 1.045 162 I CB 2.376 40.460 38.000 0.139 0.000 1.238 162 I HN 0.496 nan 8.210 nan 0.000 0.424 163 D N 6.119 126.776 120.400 0.428 0.000 2.280 163 D HA 0.480 5.123 4.640 0.005 0.000 0.243 163 D C -0.580 175.728 176.300 0.013 0.000 1.129 163 D CA -0.136 53.985 54.000 0.201 0.000 0.848 163 D CB 1.089 41.954 40.800 0.108 0.000 1.107 163 D HN 0.296 nan 8.370 nan 0.000 0.471 164 L N 5.607 126.770 121.223 -0.099 0.000 2.417 164 L HA 0.389 4.732 4.340 0.005 0.000 0.268 164 L C -1.672 175.117 176.870 -0.135 0.000 1.158 164 L CA -1.570 53.211 54.840 -0.099 0.000 0.819 164 L CB 0.759 42.762 42.059 -0.092 0.000 1.112 164 L HN 0.415 nan 8.230 nan 0.000 0.458 165 P HA 0.076 nan 4.420 nan 0.000 0.276 165 P C -0.082 177.185 177.300 -0.056 0.000 1.261 165 P CA -0.457 62.599 63.100 -0.074 0.000 0.800 165 P CB 0.533 32.208 31.700 -0.042 0.000 1.066 166 E N -0.221 119.949 120.200 -0.050 0.000 2.065 166 E HA -0.157 4.196 4.350 0.005 0.000 0.201 166 E C 0.716 177.331 176.600 0.024 0.000 1.016 166 E CA 1.729 58.118 56.400 -0.018 0.000 0.818 166 E CB -1.558 28.129 29.700 -0.022 0.000 0.749 166 E HN 0.478 nan 8.360 nan 0.000 0.453 167 T N 1.060 115.625 114.554 0.019 0.000 2.786 167 T HA 0.403 4.756 4.350 0.005 0.000 0.283 167 T C -0.723 174.000 174.700 0.038 0.000 0.992 167 T CA -0.779 61.344 62.100 0.038 0.000 0.954 167 T CB 1.355 70.239 68.868 0.028 0.000 0.934 167 T HN -0.067 nan 8.240 nan 0.000 0.440 168 V N 7.235 127.187 119.914 0.063 0.000 2.313 168 V HA 0.241 4.364 4.120 0.005 0.000 0.252 168 V C 0.459 176.576 176.094 0.038 0.000 1.112 168 V CA -0.757 61.579 62.300 0.059 0.000 0.984 168 V CB -0.494 31.388 31.823 0.098 0.000 1.157 168 V HN 0.962 nan 8.190 nan 0.000 0.493 169 D N 2.286 122.700 120.400 0.023 0.000 2.433 169 D HA 0.063 4.706 4.640 0.005 0.000 0.255 169 D C 1.463 177.769 176.300 0.011 0.000 1.226 169 D CA -0.202 53.807 54.000 0.014 0.000 1.015 169 D CB 0.671 41.477 40.800 0.009 0.000 1.091 169 D HN 0.200 nan 8.370 nan 0.000 0.527 170 T N -1.394 113.163 114.554 0.006 0.000 2.759 170 T HA -0.230 4.123 4.350 0.005 0.000 0.269 170 T C 1.825 176.524 174.700 -0.001 0.000 1.042 170 T CA 1.907 64.008 62.100 0.001 0.000 1.140 170 T CB -0.297 68.570 68.868 -0.001 0.000 0.864 170 T HN 0.447 nan 8.240 nan 0.000 0.455 171 R N 0.338 120.837 120.500 -0.000 0.000 2.091 171 R HA 0.053 4.396 4.340 0.005 0.000 0.238 171 R C 2.519 178.818 176.300 -0.002 0.000 1.136 171 R CA 1.685 57.784 56.100 -0.002 0.000 0.959 171 R CB -0.726 29.574 30.300 -0.001 0.000 0.856 171 R HN 0.436 nan 8.270 nan 0.000 0.437 172 A N 0.332 123.153 122.820 0.002 0.000 1.873 172 A HA -0.020 4.303 4.320 0.005 0.000 0.215 172 A C 2.391 179.977 177.584 0.003 0.000 1.186 172 A CA 1.509 53.549 52.037 0.004 0.000 0.616 172 A CB -1.108 17.899 19.000 0.012 0.000 0.823 172 A HN 0.495 nan 8.150 nan 0.000 0.442 173 A N -0.109 122.714 122.820 0.006 0.000 1.927 173 A HA -0.006 4.316 4.320 0.005 0.000 0.220 173 A C 2.435 180.008 177.584 -0.018 0.000 1.185 173 A CA 2.595 54.632 52.037 -0.001 0.000 0.639 173 A CB -0.945 18.056 19.000 0.001 0.000 0.820 173 A HN 1.155 nan 8.150 nan 0.000 0.451 174 A N -1.156 121.654 122.820 -0.018 0.000 2.021 174 A HA 0.049 4.372 4.320 0.005 0.000 0.216 174 A C 2.167 179.731 177.584 -0.033 0.000 1.163 174 A CA 1.071 53.092 52.037 -0.026 0.000 0.676 174 A CB -0.295 18.694 19.000 -0.019 0.000 0.818 174 A HN 0.529 nan 8.150 nan 0.000 0.453 175 R N -0.482 120.003 120.500 -0.025 0.000 2.075 175 R HA -0.041 4.302 4.340 0.005 0.000 0.232 175 R C 2.171 178.437 176.300 -0.057 0.000 1.126 175 R CA 1.275 57.358 56.100 -0.029 0.000 0.963 175 R CB -0.407 29.886 30.300 -0.012 0.000 0.858 175 R HN 0.499 nan 8.270 nan 0.000 0.435 176 L N 1.263 122.452 121.223 -0.057 0.000 1.976 176 L HA -0.181 4.162 4.340 0.005 0.000 0.209 176 L C 2.118 178.904 176.870 -0.140 0.000 1.071 176 L CA 2.766 57.548 54.840 -0.096 0.000 0.746 176 L CB -1.363 40.664 42.059 -0.054 0.000 0.890 176 L HN 0.373 nan 8.230 nan 0.000 0.432 177 T N -2.724 111.769 114.554 -0.101 0.000 2.788 177 T HA -0.103 4.250 4.350 0.005 0.000 0.268 177 T C 2.000 176.628 174.700 -0.120 0.000 1.044 177 T CA 1.051 63.084 62.100 -0.112 0.000 1.139 177 T CB -1.267 67.554 68.868 -0.079 0.000 0.867 177 T HN 0.449 nan 8.240 nan 0.000 0.454 178 G N 1.744 110.488 108.800 -0.093 0.000 2.440 178 G HA2 -0.075 3.888 3.960 0.005 0.000 0.218 178 G HA3 -0.075 3.888 3.960 0.005 0.000 0.218 178 G C 1.539 176.380 174.900 -0.099 0.000 1.154 178 G CA 0.790 45.843 45.100 -0.079 0.000 0.767 178 G HN 0.534 nan 8.290 nan 0.000 0.552 179 L N -0.120 121.018 121.223 -0.142 0.000 2.131 179 L HA 0.001 4.344 4.340 0.005 0.000 0.210 179 L C 2.807 179.478 176.870 -0.331 0.000 1.092 179 L CA 0.466 55.179 54.840 -0.212 0.000 0.759 179 L CB -0.279 41.608 42.059 -0.286 0.000 0.903 179 L HN 0.198 nan 8.230 nan 0.000 0.435 180 L N -0.890 120.118 121.223 -0.358 0.000 2.217 180 L HA -0.098 4.245 4.340 0.005 0.000 0.211 180 L C 2.798 179.659 176.870 -0.016 0.000 1.107 180 L CA 0.733 55.365 54.840 -0.346 0.000 0.783 180 L CB -0.589 41.283 42.059 -0.311 0.000 0.919 180 L HN 0.213 nan 8.230 nan 0.000 0.442 181 A N -1.266 121.514 122.820 -0.067 0.000 1.873 181 A HA -0.131 4.192 4.320 0.005 0.000 0.215 181 A C 0.851 178.492 177.584 0.096 0.000 1.186 181 A CA 1.240 53.263 52.037 -0.024 0.000 0.616 181 A CB -0.016 18.936 19.000 -0.082 0.000 0.823 181 A HN 0.391 nan 8.150 nan 0.000 0.442 182 D N -2.874 117.556 120.400 0.050 0.000 2.804 182 D HA 0.425 5.068 4.640 0.005 0.000 0.209 182 D C -0.531 175.806 176.300 0.062 0.000 1.314 182 D CA 0.302 54.353 54.000 0.084 0.000 0.894 182 D CB 1.602 42.441 40.800 0.065 0.000 1.615 182 D HN 0.087 nan 8.370 nan 0.000 0.571 183 A N 1.827 124.717 122.820 0.117 0.000 2.423 183 A HA 0.503 4.826 4.320 0.005 0.000 0.246 183 A C 1.400 179.059 177.584 0.124 0.000 1.278 183 A CA 0.709 52.822 52.037 0.127 0.000 0.903 183 A CB -0.058 19.112 19.000 0.284 0.000 0.997 183 A HN 1.011 nan 8.150 nan 0.000 0.510 184 G N -1.457 107.402 108.800 0.098 0.000 2.203 184 G HA2 0.056 4.019 3.960 0.005 0.000 0.263 184 G HA3 0.056 4.019 3.960 0.005 0.000 0.263 184 G C 1.549 176.502 174.900 0.088 0.000 1.012 184 G CA 1.030 46.179 45.100 0.081 0.000 0.749 184 G HN 2.104 nan 8.290 nan 0.000 0.512 185 G N -1.731 107.132 108.800 0.105 0.000 2.199 185 G HA2 -0.254 3.708 3.960 0.005 0.000 0.254 185 G HA3 -0.254 3.708 3.960 0.005 0.000 0.254 185 G C 0.258 175.223 174.900 0.108 0.000 0.982 185 G CA 0.851 46.006 45.100 0.092 0.000 0.632 185 G HN 0.942 nan 8.290 nan 0.000 0.529 186 E N 0.939 121.222 120.200 0.137 0.000 2.373 186 E HA 0.449 4.802 4.350 0.005 0.000 0.263 186 E C 0.522 177.248 176.600 0.210 0.000 1.073 186 E CA 0.604 57.100 56.400 0.160 0.000 0.894 186 E CB 1.083 30.887 29.700 0.173 0.000 1.008 186 E HN 0.576 nan 8.360 nan 0.000 0.420 187 D N -0.249 120.262 120.400 0.186 0.000 2.583 187 D HA -0.013 4.630 4.640 0.005 0.000 0.282 187 D C -0.335 176.066 176.300 0.168 0.000 1.485 187 D CA -0.125 53.941 54.000 0.111 0.000 0.834 187 D CB 0.033 40.816 40.800 -0.027 0.000 1.258 187 D HN 0.204 nan 8.370 nan 0.000 0.470 188 Q N 0.845 120.810 119.800 0.275 0.000 2.786 188 Q HA 0.524 4.866 4.340 0.005 0.000 0.240 188 Q C -1.346 175.007 176.000 0.589 0.000 0.928 188 Q CA -0.274 55.782 55.803 0.422 0.000 0.721 188 Q CB 2.097 31.073 28.738 0.398 0.000 1.318 188 Q HN 0.122 nan 8.270 nan 0.000 0.474 189 L N 0.884 122.524 121.223 0.694 0.000 2.371 189 L HA 0.945 5.288 4.340 0.005 0.000 0.262 189 L C -0.895 176.347 176.870 0.618 0.000 1.006 189 L CA -0.853 54.338 54.840 0.585 0.000 0.818 189 L CB 2.219 44.493 42.059 0.358 0.000 1.354 189 L HN 0.499 nan 8.230 nan 0.000 0.415 190 A N 2.793 125.853 122.820 0.400 0.000 2.359 190 A HA 0.749 5.072 4.320 0.005 0.000 0.303 190 A C -0.912 176.706 177.584 0.056 0.000 1.066 190 A CA -0.375 51.719 52.037 0.095 0.000 0.730 190 A CB 0.776 19.594 19.000 -0.304 0.000 1.211 190 A HN 0.601 nan 8.150 nan 0.000 0.439 191 I N 3.416 124.002 120.570 0.028 0.000 2.352 191 I HA 0.382 4.555 4.170 0.005 0.000 0.290 191 I C 0.229 176.328 176.117 -0.031 0.000 1.036 191 I CA -0.356 60.950 61.300 0.009 0.000 1.336 191 I CB 0.662 38.669 38.000 0.012 0.000 1.407 191 I HN 0.592 nan 8.210 nan 0.000 0.497 192 R N 3.537 124.021 120.500 -0.027 0.000 2.905 192 R HA 0.407 4.750 4.340 0.005 0.000 0.260 192 R C 0.977 177.262 176.300 -0.024 0.000 1.086 192 R CA -0.671 55.402 56.100 -0.045 0.000 0.978 192 R CB 0.888 31.149 30.300 -0.064 0.000 1.215 192 R HN 0.686 nan 8.270 nan 0.000 0.480 193 G N 0.151 108.935 108.800 -0.027 0.000 2.469 193 G HA2 -0.278 3.685 3.960 0.005 0.000 0.219 193 G HA3 -0.278 3.685 3.960 0.005 0.000 0.219 193 G C 1.039 175.933 174.900 -0.009 0.000 1.150 193 G CA 1.462 46.552 45.100 -0.016 0.000 0.763 193 G HN 0.567 nan 8.290 nan 0.000 0.561 194 S N -0.940 114.754 115.700 -0.009 0.000 2.528 194 S HA 0.512 4.985 4.470 0.005 0.000 0.219 194 S C 0.954 175.559 174.600 0.008 0.000 0.985 194 S CA 0.646 58.846 58.200 -0.000 0.000 0.914 194 S CB 0.406 63.606 63.200 -0.000 0.000 0.776 194 S HN 1.199 nan 8.310 nan 0.000 0.526 195 G N -0.005 108.801 108.800 0.009 0.000 2.324 195 G HA2 0.379 4.342 3.960 0.005 0.000 0.293 195 G HA3 0.379 4.342 3.960 0.005 0.000 0.293 195 G C -1.784 173.134 174.900 0.030 0.000 1.297 195 G CA -0.450 44.663 45.100 0.021 0.000 0.853 195 G HN 0.367 nan 8.290 nan 0.000 0.535 196 V N 0.825 120.768 119.914 0.047 0.000 2.439 196 V HA 0.616 4.739 4.120 0.005 0.000 0.282 196 V C 0.361 176.524 176.094 0.116 0.000 1.039 196 V CA -0.450 61.895 62.300 0.075 0.000 0.913 196 V CB 0.962 32.830 31.823 0.074 0.000 0.983 196 V HN 0.603 nan 8.190 nan 0.000 0.460 197 L N 3.940 125.265 121.223 0.169 0.000 2.331 197 L HA 0.920 5.263 4.340 0.005 0.000 0.275 197 L C 0.192 177.316 176.870 0.424 0.000 1.022 197 L CA -0.498 54.509 54.840 0.279 0.000 0.812 197 L CB 1.818 44.055 42.059 0.297 0.000 1.257 197 L HN 0.744 nan 8.230 nan 0.000 0.435 198 A N 2.129 125.168 122.820 0.365 0.000 2.413 198 A HA 0.666 4.989 4.320 0.005 0.000 0.307 198 A C -0.816 176.727 177.584 -0.069 0.000 1.087 198 A CA -0.707 51.481 52.037 0.251 0.000 0.750 198 A CB 1.608 20.696 19.000 0.147 0.000 1.296 198 A HN 0.761 nan 8.150 nan 0.000 0.423 199 R N 0.963 121.180 120.500 -0.471 0.000 2.438 199 R HA 0.464 4.806 4.340 0.005 0.000 0.287 199 R C -0.724 175.310 176.300 -0.442 0.000 1.077 199 R CA -0.172 55.346 56.100 -0.970 0.000 1.034 199 R CB 0.432 30.139 30.300 -0.988 0.000 0.993 199 R HN 0.693 nan 8.270 nan 0.000 0.459 200 R N 3.519 123.734 120.500 -0.474 0.000 2.725 200 R HA 0.361 4.704 4.340 0.005 0.000 0.277 200 R C -1.339 174.815 176.300 -0.243 0.000 0.987 200 R CA -1.173 54.773 56.100 -0.257 0.000 0.901 200 R CB 1.532 31.713 30.300 -0.199 0.000 1.207 200 R HN 0.420 nan 8.270 nan 0.000 0.463 201 L N 1.383 122.507 121.223 -0.165 0.000 2.295 201 L HA 0.753 5.096 4.340 0.005 0.000 0.285 201 L C -0.744 176.039 176.870 -0.146 0.000 1.035 201 L CA -0.124 54.635 54.840 -0.134 0.000 0.806 201 L CB 1.550 43.558 42.059 -0.085 0.000 1.214 201 L HN 0.837 nan 8.230 nan 0.000 0.426 202 A N 2.688 125.443 122.820 -0.109 0.000 2.498 202 A HA 0.589 4.912 4.320 0.005 0.000 0.298 202 A C -1.184 176.448 177.584 0.080 0.000 1.075 202 A CA -0.682 51.314 52.037 -0.069 0.000 0.714 202 A CB 0.555 19.496 19.000 -0.098 0.000 1.299 202 A HN 0.824 nan 8.150 nan 0.000 0.407 203 H N 0.617 119.735 119.070 0.079 0.000 3.001 203 H HA 0.351 4.908 4.556 0.002 0.000 0.334 203 H C 0.998 176.365 175.328 0.065 0.000 1.034 203 H CA 1.324 57.319 56.048 -0.088 0.000 1.420 203 H CB 0.753 30.419 29.762 -0.159 0.000 1.405 203 H HN 0.901 nan 8.280 nan 0.000 0.593 204 A N 2.544 125.430 122.820 0.110 0.000 2.332 204 A HA 0.546 4.869 4.320 0.005 0.000 0.258 204 A C 0.315 177.874 177.584 -0.042 0.000 1.087 204 A CA -0.252 51.795 52.037 0.017 0.000 0.802 204 A CB 0.038 19.006 19.000 -0.053 0.000 1.042 204 A HN 0.887 nan 8.150 nan 0.000 0.489 205 A N 2.024 124.776 122.820 -0.113 0.000 2.511 205 A HA 0.498 4.821 4.320 0.005 0.000 0.242 205 A C -2.136 175.410 177.584 -0.063 0.000 1.069 205 A CA -0.784 51.209 52.037 -0.074 0.000 0.763 205 A CB -0.881 18.064 19.000 -0.091 0.000 1.001 205 A HN 0.625 nan 8.150 nan 0.000 0.498 206 P HA 0.297 nan 4.420 nan 0.000 0.269 206 P C -0.045 177.235 177.300 -0.034 0.000 1.215 206 P CA 0.155 63.228 63.100 -0.045 0.000 0.780 206 P CB 0.560 32.233 31.700 -0.044 0.000 0.898 207 A N 2.287 125.092 122.820 -0.025 0.000 2.498 207 A HA 0.290 4.612 4.320 0.005 0.000 0.239 207 A C -0.191 177.386 177.584 -0.011 0.000 1.068 207 A CA 0.054 52.082 52.037 -0.015 0.000 0.766 207 A CB -0.201 18.797 19.000 -0.004 0.000 1.003 207 A HN 0.375 nan 8.150 nan 0.000 0.497 208 V N 5.560 125.469 119.914 -0.008 0.000 2.349 208 V HA 0.260 4.383 4.120 0.005 0.000 0.284 208 V C -2.287 173.809 176.094 0.003 0.000 1.014 208 V CA -1.475 60.822 62.300 -0.004 0.000 0.826 208 V CB 1.249 33.068 31.823 -0.007 0.000 1.009 208 V HN 0.802 nan 8.190 nan 0.000 0.431 209 P HA 0.068 nan 4.420 nan 0.000 0.255 209 P C 1.127 178.434 177.300 0.012 0.000 1.161 209 P CA 1.823 64.929 63.100 0.011 0.000 0.768 209 P CB 0.226 31.931 31.700 0.009 0.000 0.746 210 G N 3.035 111.846 108.800 0.017 0.000 2.205 210 G HA2 -0.347 3.616 3.960 0.005 0.000 0.261 210 G HA3 -0.347 3.616 3.960 0.005 0.000 0.261 210 G C 1.421 176.330 174.900 0.014 0.000 0.980 210 G CA 0.654 45.764 45.100 0.017 0.000 0.632 210 G HN 0.562 nan 8.290 nan 0.000 0.533 211 S N -0.185 115.521 115.700 0.010 0.000 2.387 211 S HA 0.052 4.525 4.470 0.005 0.000 0.230 211 S C 2.263 176.868 174.600 0.008 0.000 1.035 211 S CA 1.921 60.124 58.200 0.006 0.000 1.014 211 S CB -0.630 62.570 63.200 0.000 0.000 0.836 211 S HN 1.654 nan 8.310 nan 0.000 0.466 212 G N 0.512 109.319 108.800 0.013 0.000 3.088 212 G HA2 0.273 4.235 3.960 0.005 0.000 0.217 212 G HA3 0.273 4.235 3.960 0.005 0.000 0.217 212 G C 0.069 174.982 174.900 0.022 0.000 1.159 212 G CA -0.533 44.576 45.100 0.015 0.000 0.760 212 G HN 0.491 nan 8.290 nan 0.000 0.550 213 K N 0.227 120.640 120.400 0.023 0.000 3.451 213 K HA -0.217 4.106 4.320 0.005 0.000 0.273 213 K C 0.471 177.094 176.600 0.038 0.000 0.944 213 K CA 0.169 56.471 56.287 0.026 0.000 0.734 213 K CB -0.900 31.611 32.500 0.019 0.000 1.437 213 K HN 0.510 nan 8.250 nan 0.000 0.454 214 R N 1.710 122.239 120.500 0.048 0.000 2.480 214 R HA 0.031 4.374 4.340 0.005 0.000 0.303 214 R C -1.978 174.365 176.300 0.072 0.000 0.985 214 R CA -1.015 55.126 56.100 0.068 0.000 1.051 214 R CB 0.358 30.708 30.300 0.084 0.000 0.935 214 R HN 0.005 nan 8.270 nan 0.000 0.410 215 P HA 0.145 nan 4.420 nan 0.000 0.272 215 P C -2.507 174.861 177.300 0.112 0.000 1.223 215 P CA -1.208 61.943 63.100 0.085 0.000 0.784 215 P CB 0.141 31.908 31.700 0.111 0.000 0.923 216 P HA 0.029 nan 4.420 nan 0.000 0.271 216 P C -0.497 176.940 177.300 0.229 0.000 1.218 216 P CA -0.023 63.137 63.100 0.099 0.000 0.780 216 P CB 0.380 32.097 31.700 0.028 0.000 0.901 217 V N 5.503 125.541 119.914 0.207 0.000 2.529 217 V HA 0.137 4.260 4.120 0.005 0.000 0.292 217 V C 0.836 177.096 176.094 0.276 0.000 1.028 217 V CA 0.790 63.226 62.300 0.227 0.000 1.074 217 V CB -0.872 31.039 31.823 0.147 0.000 0.958 217 V HN 0.872 nan 8.190 nan 0.000 0.481 218 H N 2.768 121.884 119.070 0.076 0.000 2.902 218 H HA 0.611 5.169 4.556 0.003 0.000 0.297 218 H C 0.115 175.490 175.328 0.077 0.000 1.406 218 H CA -0.283 55.806 56.048 0.068 0.000 1.134 218 H CB 1.150 30.947 29.762 0.058 0.000 1.833 218 H HN 1.092 nan 8.280 nan 0.000 0.527 219 G N 0.305 109.123 108.800 0.031 0.000 2.601 219 G HA2 -0.221 3.742 3.960 0.005 0.000 0.252 219 G HA3 -0.221 3.742 3.960 0.005 0.000 0.252 219 G C -0.793 174.114 174.900 0.011 0.000 1.294 219 G CA 0.082 45.155 45.100 -0.044 0.000 0.912 219 G HN 0.849 nan 8.290 nan 0.000 0.574 220 S N -0.728 114.982 115.700 0.017 0.000 2.480 220 S HA 0.603 5.076 4.470 0.005 0.000 0.286 220 S C 0.082 174.665 174.600 -0.028 0.000 1.180 220 S CA -0.366 57.855 58.200 0.034 0.000 1.075 220 S CB 1.738 64.996 63.200 0.097 0.000 0.996 220 S HN 1.052 nan 8.310 nan 0.000 0.487 221 V N 4.104 123.988 119.914 -0.050 0.000 2.540 221 V HA 0.430 4.553 4.120 0.005 0.000 0.302 221 V C -0.597 175.487 176.094 -0.016 0.000 1.035 221 V CA -0.827 61.481 62.300 0.014 0.000 0.873 221 V CB 1.621 33.487 31.823 0.071 0.000 0.992 221 V HN 0.716 nan 8.190 nan 0.000 0.428 222 L N 6.633 127.874 121.223 0.030 0.000 2.275 222 L HA 0.638 4.981 4.340 0.005 0.000 0.288 222 L C -0.426 176.481 176.870 0.061 0.000 1.046 222 L CA 0.208 55.052 54.840 0.008 0.000 0.805 222 L CB 1.512 43.575 42.059 0.007 0.000 1.193 222 L HN 0.457 nan 8.230 nan 0.000 0.426 223 V N 4.358 124.286 119.914 0.024 0.000 2.313 223 V HA 0.383 4.505 4.120 0.005 0.000 0.278 223 V C 0.438 176.536 176.094 0.008 0.000 1.017 223 V CA -0.394 61.923 62.300 0.027 0.000 0.823 223 V CB 0.991 32.803 31.823 -0.018 0.000 1.010 223 V HN 0.900 nan 8.190 nan 0.000 0.443 224 T N 0.883 115.451 114.554 0.024 0.000 2.904 224 T HA 0.523 4.876 4.350 0.005 0.000 0.290 224 T C 1.225 175.915 174.700 -0.017 0.000 1.018 224 T CA 0.414 62.539 62.100 0.041 0.000 1.075 224 T CB 1.397 70.370 68.868 0.176 0.000 0.986 224 T HN 1.774 nan 8.240 nan 0.000 0.523 225 G N 0.894 109.687 108.800 -0.011 0.000 2.203 225 G HA2 -0.197 3.766 3.960 0.005 0.000 0.263 225 G HA3 -0.197 3.766 3.960 0.005 0.000 0.263 225 G C 0.954 175.840 174.900 -0.024 0.000 1.012 225 G CA 0.335 45.419 45.100 -0.027 0.000 0.749 225 G HN 1.430 nan 8.290 nan 0.000 0.512 226 G N -0.450 108.340 108.800 -0.018 0.000 2.572 226 G HA2 0.163 4.126 3.960 0.005 0.000 0.216 226 G HA3 0.163 4.126 3.960 0.005 0.000 0.216 226 G C 1.656 176.542 174.900 -0.023 0.000 1.133 226 G CA 1.846 46.933 45.100 -0.022 0.000 0.791 226 G HN 1.241 nan 8.290 nan 0.000 0.538 227 T N -1.384 113.160 114.554 -0.018 0.000 3.088 227 T HA 0.308 4.661 4.350 0.005 0.000 0.259 227 T C 1.522 176.207 174.700 -0.025 0.000 1.122 227 T CA 0.360 62.449 62.100 -0.017 0.000 1.095 227 T CB 0.270 69.132 68.868 -0.010 0.000 0.930 227 T HN 0.224 nan 8.240 nan 0.000 0.508 228 G N 0.369 109.149 108.800 -0.033 0.000 2.611 228 G HA2 0.459 4.421 3.960 0.005 0.000 0.273 228 G HA3 0.459 4.421 3.960 0.005 0.000 0.273 228 G C 1.127 175.981 174.900 -0.077 0.000 1.305 228 G CA -0.343 44.727 45.100 -0.049 0.000 1.010 228 G HN 0.262 nan 8.290 nan 0.000 0.509 229 G N -0.604 108.130 108.800 -0.110 0.000 2.524 229 G HA2 -0.184 3.779 3.960 0.005 0.000 0.215 229 G HA3 -0.184 3.779 3.960 0.005 0.000 0.215 229 G C 1.683 176.440 174.900 -0.237 0.000 1.239 229 G CA 1.011 46.025 45.100 -0.145 0.000 0.798 229 G HN 0.485 nan 8.290 nan 0.000 0.557 230 I N 1.326 121.627 120.570 -0.448 0.000 2.315 230 I HA -0.049 4.124 4.170 0.005 0.000 0.248 230 I C 3.060 179.015 176.117 -0.270 0.000 1.117 230 I CA 0.879 61.721 61.300 -0.764 0.000 1.404 230 I CB -0.456 36.796 38.000 -1.247 0.000 1.071 230 I HN 0.287 nan 8.210 nan 0.000 0.419 231 G N 0.588 109.323 108.800 -0.108 0.000 2.422 231 G HA2 -0.176 3.787 3.960 0.005 0.000 0.218 231 G HA3 -0.176 3.787 3.960 0.005 0.000 0.218 231 G C 1.711 176.592 174.900 -0.031 0.000 1.146 231 G CA 0.799 45.897 45.100 -0.004 0.000 0.769 231 G HN 0.492 nan 8.290 nan 0.000 0.547 232 G N 0.377 109.149 108.800 -0.047 0.000 2.408 232 G HA2 -0.136 3.827 3.960 0.005 0.000 0.217 232 G HA3 -0.136 3.827 3.960 0.005 0.000 0.217 232 G C 1.979 176.870 174.900 -0.014 0.000 1.150 232 G CA 0.481 45.563 45.100 -0.030 0.000 0.776 232 G HN 0.222 nan 8.290 nan 0.000 0.542 233 R N 0.259 120.757 120.500 -0.003 0.000 2.075 233 R HA 0.026 4.369 4.340 0.005 0.000 0.232 233 R C 2.752 179.083 176.300 0.052 0.000 1.126 233 R CA 0.678 56.810 56.100 0.054 0.000 0.963 233 R CB -1.274 29.123 30.300 0.163 0.000 0.858 233 R HN 0.334 nan 8.270 nan 0.000 0.435 234 V N 1.445 121.386 119.914 0.044 0.000 2.252 234 V HA -0.284 3.839 4.120 0.005 0.000 0.249 234 V C 2.533 178.567 176.094 -0.101 0.000 1.056 234 V CA 2.104 64.400 62.300 -0.007 0.000 1.022 234 V CB -0.995 30.843 31.823 0.026 0.000 0.641 234 V HN 0.341 nan 8.190 nan 0.000 0.445 235 A N -0.213 122.556 122.820 -0.084 0.000 1.908 235 A HA -0.259 4.064 4.320 0.005 0.000 0.218 235 A C 2.354 179.908 177.584 -0.050 0.000 1.181 235 A CA 2.044 54.031 52.037 -0.084 0.000 0.627 235 A CB -0.532 18.436 19.000 -0.054 0.000 0.818 235 A HN 0.548 nan 8.150 nan 0.000 0.445 236 R N -1.303 119.184 120.500 -0.022 0.000 2.081 236 R HA -0.139 4.204 4.340 0.005 0.000 0.235 236 R C 2.464 178.762 176.300 -0.003 0.000 1.131 236 R CA 1.604 57.701 56.100 -0.005 0.000 0.960 236 R CB -0.277 30.028 30.300 0.007 0.000 0.856 236 R HN 0.453 nan 8.270 nan 0.000 0.436 237 R N 1.219 121.717 120.500 -0.003 0.000 2.081 237 R HA -0.065 4.278 4.340 0.005 0.000 0.235 237 R C 2.080 178.373 176.300 -0.012 0.000 1.131 237 R CA 1.335 57.438 56.100 0.004 0.000 0.960 237 R CB -0.532 29.779 30.300 0.018 0.000 0.856 237 R HN 0.165 nan 8.270 nan 0.000 0.436 238 L N -0.223 120.966 121.223 -0.056 0.000 2.046 238 L HA -0.110 4.233 4.340 0.005 0.000 0.208 238 L C 2.528 179.395 176.870 -0.005 0.000 1.077 238 L CA 1.380 56.189 54.840 -0.051 0.000 0.747 238 L CB -0.697 41.290 42.059 -0.120 0.000 0.896 238 L HN 0.309 nan 8.230 nan 0.000 0.432 239 A N 0.237 123.053 122.820 -0.006 0.000 1.883 239 A HA -0.268 4.055 4.320 0.005 0.000 0.217 239 A C 2.179 179.776 177.584 0.021 0.000 1.186 239 A CA 2.049 54.093 52.037 0.012 0.000 0.624 239 A CB -0.575 18.430 19.000 0.008 0.000 0.822 239 A HN 0.469 nan 8.150 nan 0.000 0.444 240 E N -0.499 119.711 120.200 0.018 0.000 2.153 240 E HA -0.214 4.139 4.350 0.005 0.000 0.194 240 E C 2.024 178.642 176.600 0.031 0.000 0.988 240 E CA 1.375 57.788 56.400 0.023 0.000 0.811 240 E CB -0.150 29.562 29.700 0.021 0.000 0.746 240 E HN 0.748 nan 8.360 nan 0.000 0.466 241 Q N -1.078 118.743 119.800 0.035 0.000 2.444 241 Q HA 0.083 4.426 4.340 0.005 0.000 0.206 241 Q C 0.822 176.859 176.000 0.062 0.000 0.948 241 Q CA 0.468 56.301 55.803 0.049 0.000 0.946 241 Q CB 0.941 29.713 28.738 0.057 0.000 1.027 241 Q HN 0.395 nan 8.270 nan 0.000 0.513 242 G N 0.166 109.001 108.800 0.058 0.000 2.175 242 G HA2 -0.206 3.757 3.960 0.005 0.000 0.182 242 G HA3 -0.206 3.757 3.960 0.005 0.000 0.182 242 G C 0.191 175.144 174.900 0.089 0.000 1.003 242 G CA -0.313 44.830 45.100 0.072 0.000 0.666 242 G HN 0.462 nan 8.290 nan 0.000 0.506 243 A N 0.400 123.266 122.820 0.075 0.000 2.567 243 A HA 0.633 4.956 4.320 0.005 0.000 0.240 243 A C 1.776 179.410 177.584 0.084 0.000 1.053 243 A CA 1.279 53.360 52.037 0.074 0.000 0.755 243 A CB 0.341 19.367 19.000 0.043 0.000 0.978 243 A HN 1.826 nan 8.150 nan 0.000 0.507 244 A N 1.874 124.755 122.820 0.102 0.000 1.929 244 A HA 0.151 4.474 4.320 0.005 0.000 0.216 244 A C 1.005 178.683 177.584 0.156 0.000 1.176 244 A CA 1.962 54.065 52.037 0.110 0.000 0.628 244 A CB -0.245 18.819 19.000 0.107 0.000 0.816 244 A HN 1.237 nan 8.150 nan 0.000 0.444 245 H N -1.752 117.330 119.070 0.020 0.000 2.966 245 H HA 0.628 5.187 4.556 0.005 0.000 0.347 245 H C -1.720 173.616 175.328 0.013 0.000 1.048 245 H CA -1.110 54.947 56.048 0.015 0.000 1.295 245 H CB 0.489 30.260 29.762 0.014 0.000 1.744 245 H HN 0.094 nan 8.280 nan 0.000 0.513 246 L N 5.358 126.522 121.223 -0.099 0.000 2.307 246 L HA 0.543 4.885 4.340 0.005 0.000 0.284 246 L C -0.551 176.123 176.870 -0.326 0.000 1.023 246 L CA -1.132 53.597 54.840 -0.185 0.000 0.810 246 L CB 1.798 43.819 42.059 -0.063 0.000 1.231 246 L HN 0.412 nan 8.230 nan 0.000 0.423 247 V N 5.424 125.149 119.914 -0.314 0.000 2.334 247 V HA 0.378 4.501 4.120 0.005 0.000 0.281 247 V C -0.015 176.020 176.094 -0.098 0.000 1.016 247 V CA -0.408 61.755 62.300 -0.227 0.000 0.832 247 V CB 1.463 33.157 31.823 -0.215 0.000 0.999 247 V HN 0.507 nan 8.190 nan 0.000 0.439 248 L N 5.563 126.752 121.223 -0.058 0.000 2.272 248 L HA 0.700 5.042 4.340 0.005 0.000 0.289 248 L C 0.435 177.299 176.870 -0.011 0.000 1.032 248 L CA -0.161 54.661 54.840 -0.030 0.000 0.810 248 L CB 1.905 43.950 42.059 -0.023 0.000 1.205 248 L HN 0.767 nan 8.230 nan 0.000 0.422 249 T N -0.331 114.222 114.554 -0.002 0.000 2.924 249 T HA 0.863 5.216 4.350 0.005 0.000 0.291 249 T C -0.287 174.421 174.700 0.014 0.000 1.045 249 T CA -0.635 61.471 62.100 0.011 0.000 1.015 249 T CB 2.244 71.126 68.868 0.023 0.000 1.103 249 T HN 0.694 nan 8.240 nan 0.000 0.496 250 S N 0.660 116.371 115.700 0.018 0.000 2.636 250 S HA 0.437 4.910 4.470 0.005 0.000 0.266 250 S C 0.550 175.165 174.600 0.025 0.000 1.147 250 S CA -1.220 56.993 58.200 0.021 0.000 0.815 250 S CB 1.320 64.527 63.200 0.011 0.000 1.119 250 S HN 0.776 nan 8.310 nan 0.000 0.470 251 R N 0.376 120.894 120.500 0.029 0.000 2.081 251 R HA 0.063 4.406 4.340 0.005 0.000 0.235 251 R C 2.196 178.509 176.300 0.022 0.000 1.131 251 R CA 1.690 57.808 56.100 0.030 0.000 0.960 251 R CB -0.299 30.021 30.300 0.035 0.000 0.856 251 R HN 0.576 nan 8.270 nan 0.000 0.436 252 R N -0.190 120.320 120.500 0.018 0.000 2.240 252 R HA 0.059 4.402 4.340 0.005 0.000 0.203 252 R C 1.439 177.746 176.300 0.011 0.000 1.011 252 R CA 0.425 56.532 56.100 0.012 0.000 1.007 252 R CB -0.014 30.291 30.300 0.008 0.000 0.911 252 R HN 0.364 nan 8.270 nan 0.000 0.468 253 G N 0.997 109.804 108.800 0.012 0.000 2.690 253 G HA2 -0.477 3.486 3.960 0.005 0.000 0.334 253 G HA3 -0.477 3.486 3.960 0.005 0.000 0.334 253 G C 0.976 175.881 174.900 0.008 0.000 1.250 253 G CA 0.786 45.892 45.100 0.011 0.000 0.994 253 G HN 0.437 nan 8.290 nan 0.000 0.549 254 A N -0.744 122.081 122.820 0.009 0.000 2.172 254 A HA 0.204 4.527 4.320 0.005 0.000 0.216 254 A C 1.736 179.323 177.584 0.005 0.000 1.154 254 A CA 2.154 54.196 52.037 0.008 0.000 0.701 254 A CB -0.208 18.798 19.000 0.010 0.000 0.789 254 A HN 0.510 nan 8.150 nan 0.000 0.465 255 D N 0.113 120.516 120.400 0.005 0.000 2.328 255 D HA 0.317 4.960 4.640 0.005 0.000 0.221 255 D C 0.715 177.016 176.300 0.001 0.000 1.072 255 D CA 0.579 54.581 54.000 0.003 0.000 0.850 255 D CB 0.035 40.837 40.800 0.004 0.000 0.922 255 D HN 0.434 nan 8.370 nan 0.000 0.516 256 A N 1.545 124.365 122.820 0.001 0.000 2.351 256 A HA 0.412 4.735 4.320 0.005 0.000 0.257 256 A C -2.189 175.392 177.584 -0.005 0.000 1.087 256 A CA -1.044 50.992 52.037 -0.002 0.000 0.798 256 A CB -0.012 18.987 19.000 -0.002 0.000 1.033 256 A HN -0.094 nan 8.150 nan 0.000 0.488 257 P HA 0.229 nan 4.420 nan 0.000 0.262 257 P C 0.910 178.204 177.300 -0.010 0.000 1.182 257 P CA 1.829 64.923 63.100 -0.010 0.000 0.761 257 P CB 0.418 32.110 31.700 -0.013 0.000 0.795 258 G N 2.820 111.614 108.800 -0.009 0.000 2.153 258 G HA2 -0.307 3.656 3.960 0.005 0.000 0.252 258 G HA3 -0.307 3.656 3.960 0.005 0.000 0.252 258 G C 1.099 175.995 174.900 -0.006 0.000 0.994 258 G CA 0.370 45.465 45.100 -0.008 0.000 0.698 258 G HN 0.682 nan 8.290 nan 0.000 0.521 259 A N -0.160 122.658 122.820 -0.004 0.000 1.930 259 A HA 0.442 4.765 4.320 0.005 0.000 0.217 259 A C 2.807 180.391 177.584 0.000 0.000 1.175 259 A CA 2.354 54.390 52.037 -0.002 0.000 0.627 259 A CB -0.736 18.264 19.000 -0.000 0.000 0.815 259 A HN 1.759 nan 8.150 nan 0.000 0.443 260 A N 0.014 122.834 122.820 0.001 0.000 1.877 260 A HA -0.135 4.188 4.320 0.005 0.000 0.216 260 A C 1.867 179.453 177.584 0.002 0.000 1.186 260 A CA 1.964 54.002 52.037 0.002 0.000 0.620 260 A CB -0.550 18.451 19.000 0.002 0.000 0.822 260 A HN 0.471 nan 8.150 nan 0.000 0.443 261 E N 0.034 120.234 120.200 0.000 0.000 2.049 261 E HA -0.173 4.180 4.350 0.005 0.000 0.198 261 E C 1.966 178.566 176.600 0.000 0.000 1.007 261 E CA 1.096 57.496 56.400 -0.000 0.000 0.809 261 E CB -0.405 29.293 29.700 -0.003 0.000 0.749 261 E HN 0.547 nan 8.360 nan 0.000 0.450 262 L N 0.440 121.663 121.223 -0.001 0.000 2.012 262 L HA -0.236 4.106 4.340 0.005 0.000 0.210 262 L C 2.626 179.498 176.870 0.002 0.000 1.073 262 L CA 1.773 56.613 54.840 -0.001 0.000 0.748 262 L CB -0.239 41.817 42.059 -0.005 0.000 0.891 262 L HN 0.136 nan 8.230 nan 0.000 0.431 263 R N -0.123 120.380 120.500 0.005 0.000 2.091 263 R HA -0.200 4.143 4.340 0.005 0.000 0.238 263 R C 2.154 178.461 176.300 0.011 0.000 1.136 263 R CA 1.709 57.816 56.100 0.010 0.000 0.959 263 R CB -0.286 30.021 30.300 0.013 0.000 0.856 263 R HN 0.440 nan 8.270 nan 0.000 0.437 264 A N 0.978 123.803 122.820 0.008 0.000 1.873 264 A HA -0.199 4.124 4.320 0.005 0.000 0.215 264 A C 2.080 179.669 177.584 0.008 0.000 1.186 264 A CA 1.503 53.545 52.037 0.008 0.000 0.616 264 A CB -0.694 18.309 19.000 0.006 0.000 0.823 264 A HN 0.668 nan 8.150 nan 0.000 0.442 265 E N 0.136 120.340 120.200 0.006 0.000 2.085 265 E HA -0.206 4.147 4.350 0.005 0.000 0.194 265 E C 1.865 178.470 176.600 0.008 0.000 0.994 265 E CA 1.421 57.824 56.400 0.006 0.000 0.801 265 E CB -0.282 29.420 29.700 0.004 0.000 0.743 265 E HN 0.623 nan 8.360 nan 0.000 0.453 266 L N 0.428 121.656 121.223 0.009 0.000 2.072 266 L HA -0.118 4.225 4.340 0.005 0.000 0.205 266 L C 2.526 179.408 176.870 0.019 0.000 1.079 266 L CA 1.361 56.208 54.840 0.013 0.000 0.752 266 L CB -0.369 41.697 42.059 0.011 0.000 0.906 266 L HN 0.149 nan 8.230 nan 0.000 0.436 267 E N -0.347 119.865 120.200 0.019 0.000 2.150 267 E HA -0.208 4.145 4.350 0.005 0.000 0.193 267 E C 2.167 178.777 176.600 0.017 0.000 0.985 267 E CA 0.621 57.033 56.400 0.021 0.000 0.814 267 E CB -0.000 29.712 29.700 0.020 0.000 0.752 267 E HN 0.404 nan 8.360 nan 0.000 0.466 268 Q N 0.122 119.930 119.800 0.013 0.000 2.368 268 Q HA -0.106 4.236 4.340 0.005 0.000 0.210 268 Q C 1.942 177.950 176.000 0.013 0.000 0.982 268 Q CA 0.875 56.685 55.803 0.011 0.000 0.884 268 Q CB 0.043 28.787 28.738 0.009 0.000 0.933 268 Q HN 0.402 nan 8.270 nan 0.000 0.460 269 L N -1.448 119.784 121.223 0.016 0.000 2.558 269 L HA 0.112 4.455 4.340 0.005 0.000 0.225 269 L C 1.248 178.131 176.870 0.021 0.000 1.128 269 L CA 0.568 55.419 54.840 0.017 0.000 0.868 269 L CB 0.088 42.158 42.059 0.017 0.000 1.006 269 L HN 0.330 nan 8.230 nan 0.000 0.454 270 G N -0.271 108.543 108.800 0.022 0.000 2.176 270 G HA2 -0.231 3.732 3.960 0.005 0.000 0.232 270 G HA3 -0.231 3.732 3.960 0.005 0.000 0.232 270 G C 0.241 175.161 174.900 0.032 0.000 0.986 270 G CA -0.078 45.037 45.100 0.024 0.000 0.643 270 G HN 0.053 nan 8.290 nan 0.000 0.522 271 V N 1.673 121.610 119.914 0.038 0.000 2.614 271 V HA 0.350 4.472 4.120 0.005 0.000 0.291 271 V C 1.395 177.529 176.094 0.066 0.000 1.049 271 V CA -0.367 61.966 62.300 0.055 0.000 1.038 271 V CB 1.380 33.234 31.823 0.052 0.000 0.980 271 V HN 0.477 nan 8.190 nan 0.000 0.481 272 R N 3.184 123.738 120.500 0.090 0.000 2.484 272 R HA 0.321 4.664 4.340 0.005 0.000 0.293 272 R C -1.127 175.312 176.300 0.231 0.000 1.023 272 R CA -0.058 56.110 56.100 0.115 0.000 1.037 272 R CB 0.479 30.798 30.300 0.032 0.000 0.951 272 R HN 0.563 nan 8.270 nan 0.000 0.418 273 V N 4.141 124.153 119.914 0.164 0.000 2.487 273 V HA 0.293 4.415 4.120 0.005 0.000 0.298 273 V C -0.323 175.864 176.094 0.155 0.000 1.028 273 V CA -0.600 61.784 62.300 0.140 0.000 0.860 273 V CB 2.193 34.054 31.823 0.064 0.000 0.991 273 V HN 0.812 nan 8.190 nan 0.000 0.427 274 T N 6.340 120.985 114.554 0.151 0.000 2.792 274 T HA 0.657 5.010 4.350 0.005 0.000 0.280 274 T C -0.400 174.324 174.700 0.040 0.000 0.990 274 T CA -0.180 61.994 62.100 0.123 0.000 0.960 274 T CB 0.951 69.940 68.868 0.201 0.000 0.939 274 T HN 0.394 nan 8.240 nan 0.000 0.439 275 I N 2.811 123.402 120.570 0.036 0.000 2.389 275 I HA 0.690 4.862 4.170 0.005 0.000 0.288 275 I C -0.021 176.109 176.117 0.020 0.000 0.999 275 I CA -0.957 60.354 61.300 0.018 0.000 1.129 275 I CB 1.493 39.501 38.000 0.015 0.000 1.288 275 I HN 0.639 nan 8.210 nan 0.000 0.444 276 A N 4.735 127.565 122.820 0.016 0.000 2.386 276 A HA 0.854 5.176 4.320 0.005 0.000 0.311 276 A C -0.358 177.236 177.584 0.017 0.000 1.068 276 A CA -0.679 51.369 52.037 0.019 0.000 0.743 276 A CB 1.596 20.609 19.000 0.021 0.000 1.258 276 A HN 0.787 nan 8.150 nan 0.000 0.429 277 A N 0.739 123.570 122.820 0.018 0.000 2.376 277 A HA 0.512 4.835 4.320 0.005 0.000 0.298 277 A C -0.162 177.436 177.584 0.022 0.000 1.271 277 A CA -0.101 51.947 52.037 0.019 0.000 0.926 277 A CB -0.742 18.268 19.000 0.017 0.000 1.141 277 A HN 1.752 nan 8.150 nan 0.000 0.539 278 C N 3.859 123.175 119.300 0.027 0.000 2.727 278 C HA 0.340 4.803 4.460 0.005 0.000 0.369 278 C C -0.721 174.294 174.990 0.042 0.000 1.067 278 C CA -0.900 58.136 59.018 0.031 0.000 1.273 278 C CB 0.323 28.082 27.740 0.031 0.000 1.778 278 C HN 0.927 nan 8.230 nan 0.000 0.467 279 D N 3.336 123.763 120.400 0.045 0.000 2.450 279 D HA 0.215 4.858 4.640 0.005 0.000 0.247 279 D C 1.117 177.466 176.300 0.081 0.000 1.162 279 D CA 0.764 54.800 54.000 0.060 0.000 0.879 279 D CB 1.710 42.545 40.800 0.057 0.000 1.163 279 D HN 0.773 nan 8.370 nan 0.000 0.472 280 A N 3.857 126.738 122.820 0.102 0.000 2.121 280 A HA 0.018 4.341 4.320 0.005 0.000 0.218 280 A C 1.863 179.548 177.584 0.168 0.000 1.154 280 A CA 1.442 53.559 52.037 0.133 0.000 0.679 280 A CB -0.152 18.962 19.000 0.191 0.000 0.795 280 A HN 0.606 nan 8.150 nan 0.000 0.458 281 A N -0.774 122.141 122.820 0.157 0.000 2.251 281 A HA 0.150 4.473 4.320 0.005 0.000 0.209 281 A C 0.647 178.397 177.584 0.277 0.000 1.187 281 A CA 0.432 52.596 52.037 0.211 0.000 0.823 281 A CB -0.155 18.913 19.000 0.114 0.000 0.846 281 A HN 0.318 nan 8.150 nan 0.000 0.486 282 D N 0.262 120.752 120.400 0.149 0.000 2.441 282 D HA 0.160 4.803 4.640 0.005 0.000 0.221 282 D C 1.177 177.431 176.300 -0.076 0.000 1.156 282 D CA -0.337 53.689 54.000 0.043 0.000 0.896 282 D CB 0.383 41.201 40.800 0.031 0.000 1.028 282 D HN 0.302 nan 8.370 nan 0.000 0.509 283 R N 3.054 123.346 120.500 -0.348 0.000 2.083 283 R HA -0.184 4.159 4.340 0.005 0.000 0.237 283 R C 1.797 177.964 176.300 -0.221 0.000 1.137 283 R CA 1.706 57.477 56.100 -0.548 0.000 0.951 283 R CB 0.051 29.859 30.300 -0.820 0.000 0.851 283 R HN 0.587 nan 8.270 nan 0.000 0.434 284 E N -0.194 119.919 120.200 -0.145 0.000 2.110 284 E HA -0.196 4.157 4.350 0.005 0.000 0.193 284 E C 1.722 178.292 176.600 -0.049 0.000 0.988 284 E CA 1.251 57.605 56.400 -0.077 0.000 0.804 284 E CB -0.133 29.537 29.700 -0.051 0.000 0.745 284 E HN 0.454 nan 8.360 nan 0.000 0.458 285 A N 1.327 124.125 122.820 -0.038 0.000 1.898 285 A HA -0.129 4.194 4.320 0.005 0.000 0.216 285 A C 2.187 179.766 177.584 -0.008 0.000 1.181 285 A CA 1.270 53.299 52.037 -0.012 0.000 0.620 285 A CB -0.669 18.332 19.000 0.003 0.000 0.819 285 A HN 0.399 nan 8.150 nan 0.000 0.442 286 L N -0.147 121.068 121.223 -0.015 0.000 2.046 286 L HA -0.069 4.274 4.340 0.005 0.000 0.208 286 L C 2.602 179.469 176.870 -0.005 0.000 1.077 286 L CA 2.198 57.038 54.840 0.001 0.000 0.747 286 L CB -0.696 41.369 42.059 0.010 0.000 0.896 286 L HN 0.329 nan 8.230 nan 0.000 0.432 287 A N -0.556 122.248 122.820 -0.026 0.000 1.933 287 A HA -0.071 4.252 4.320 0.005 0.000 0.218 287 A C 2.432 180.012 177.584 -0.007 0.000 1.175 287 A CA 1.695 53.720 52.037 -0.020 0.000 0.628 287 A CB -1.061 17.918 19.000 -0.035 0.000 0.814 287 A HN 0.584 nan 8.150 nan 0.000 0.444 288 A N -0.662 122.154 122.820 -0.006 0.000 1.897 288 A HA 0.055 4.377 4.320 0.005 0.000 0.215 288 A C 2.106 179.697 177.584 0.012 0.000 1.181 288 A CA 1.523 53.561 52.037 0.002 0.000 0.620 288 A CB -0.557 18.444 19.000 0.001 0.000 0.821 288 A HN 0.591 nan 8.150 nan 0.000 0.443 289 L N -0.120 121.111 121.223 0.014 0.000 2.046 289 L HA -0.096 4.246 4.340 0.005 0.000 0.208 289 L C 2.248 179.135 176.870 0.029 0.000 1.077 289 L CA 1.641 56.495 54.840 0.023 0.000 0.747 289 L CB -0.363 41.708 42.059 0.021 0.000 0.896 289 L HN 0.401 nan 8.230 nan 0.000 0.432 290 L N -0.852 120.384 121.223 0.022 0.000 2.201 290 L HA -0.122 4.221 4.340 0.005 0.000 0.212 290 L C 2.516 179.401 176.870 0.026 0.000 1.105 290 L CA 0.918 55.773 54.840 0.025 0.000 0.775 290 L CB -0.818 41.253 42.059 0.019 0.000 0.913 290 L HN 0.358 nan 8.230 nan 0.000 0.440 291 A N -0.419 122.412 122.820 0.019 0.000 2.067 291 A HA -0.119 4.204 4.320 0.005 0.000 0.217 291 A C 2.055 179.652 177.584 0.021 0.000 1.156 291 A CA 0.926 52.972 52.037 0.016 0.000 0.683 291 A CB -0.198 18.807 19.000 0.009 0.000 0.808 291 A HN 0.407 nan 8.150 nan 0.000 0.455 292 E N -0.379 119.838 120.200 0.029 0.000 2.442 292 E HA 0.144 4.497 4.350 0.005 0.000 0.195 292 E C -0.204 176.425 176.600 0.048 0.000 1.030 292 E CA -0.408 56.013 56.400 0.035 0.000 0.869 292 E CB -0.061 29.664 29.700 0.041 0.000 0.857 292 E HN 0.557 nan 8.360 nan 0.000 0.505 293 L N 2.966 124.226 121.223 0.062 0.000 2.543 293 L HA 0.022 4.365 4.340 0.005 0.000 0.285 293 L C -1.944 174.956 176.870 0.049 0.000 1.236 293 L CA -1.374 53.517 54.840 0.085 0.000 0.871 293 L CB -0.437 41.677 42.059 0.092 0.000 1.121 293 L HN -0.104 nan 8.230 nan 0.000 0.501 294 P HA 0.049 nan 4.420 nan 0.000 0.271 294 P C 0.334 177.644 177.300 0.017 0.000 1.218 294 P CA -0.325 62.774 63.100 -0.002 0.000 0.780 294 P CB 0.635 32.306 31.700 -0.048 0.000 0.901 295 E N 1.940 122.146 120.200 0.011 0.000 2.070 295 E HA -0.210 4.143 4.350 0.005 0.000 0.197 295 E C 1.260 177.875 176.600 0.024 0.000 1.004 295 E CA 1.663 58.074 56.400 0.017 0.000 0.805 295 E CB -0.485 29.222 29.700 0.012 0.000 0.744 295 E HN 0.646 nan 8.360 nan 0.000 0.451 296 D N -0.274 120.137 120.400 0.020 0.000 2.350 296 D HA -0.057 4.586 4.640 0.005 0.000 0.216 296 D C 0.328 176.654 176.300 0.043 0.000 0.968 296 D CA 0.657 54.674 54.000 0.028 0.000 0.894 296 D CB 0.168 40.977 40.800 0.016 0.000 0.909 296 D HN 0.020 nan 8.370 nan 0.000 0.520 297 A N 1.485 124.331 122.820 0.043 0.000 3.317 297 A HA 0.390 4.713 4.320 0.005 0.000 0.307 297 A C -2.657 174.969 177.584 0.071 0.000 1.003 297 A CA -1.145 50.931 52.037 0.066 0.000 0.882 297 A CB 0.750 19.797 19.000 0.079 0.000 1.136 297 A HN -0.028 nan 8.150 nan 0.000 0.488 298 P HA 0.128 nan 4.420 nan 0.000 0.269 298 P C 0.091 177.401 177.300 0.017 0.000 1.215 298 P CA -0.156 62.966 63.100 0.037 0.000 0.780 298 P CB 0.816 32.537 31.700 0.035 0.000 0.898 299 L N 2.854 124.088 121.223 0.020 0.000 2.499 299 L HA 0.056 4.399 4.340 0.005 0.000 0.273 299 L C 1.380 178.237 176.870 -0.021 0.000 1.195 299 L CA 1.306 56.150 54.840 0.007 0.000 0.882 299 L CB -0.104 41.969 42.059 0.023 0.000 1.133 299 L HN 0.576 nan 8.230 nan 0.000 0.483 300 T N 1.184 115.703 114.554 -0.057 0.000 2.959 300 T HA 0.710 5.063 4.350 0.005 0.000 0.254 300 T C 0.304 175.000 174.700 -0.005 0.000 1.003 300 T CA 0.237 62.285 62.100 -0.087 0.000 0.950 300 T CB 0.232 68.907 68.868 -0.321 0.000 1.090 300 T HN 0.832 nan 8.240 nan 0.000 0.503 301 A N 0.251 123.087 122.820 0.028 0.000 2.599 301 A HA 0.672 4.995 4.320 0.005 0.000 0.294 301 A C -1.791 175.820 177.584 0.045 0.000 1.055 301 A CA -0.700 51.365 52.037 0.046 0.000 0.683 301 A CB 1.478 20.556 19.000 0.130 0.000 1.278 301 A HN 0.291 nan 8.150 nan 0.000 0.412 302 V N 1.025 120.883 119.914 -0.092 0.000 2.588 302 V HA 0.650 4.773 4.120 0.005 0.000 0.304 302 V C -1.491 174.328 176.094 -0.458 0.000 1.042 302 V CA -0.255 61.944 62.300 -0.168 0.000 0.877 302 V CB 1.425 33.108 31.823 -0.233 0.000 0.996 302 V HN 0.702 nan 8.190 nan 0.000 0.425 303 F N 3.195 123.003 119.950 -0.236 0.000 2.445 303 F HA 0.407 4.939 4.527 0.008 0.000 0.348 303 F C 0.284 175.834 175.800 -0.416 0.000 1.125 303 F CA -0.426 57.355 58.000 -0.365 0.000 0.983 303 F CB 1.116 39.957 39.000 -0.265 0.000 1.198 303 F HN 0.524 nan 8.300 nan 0.000 0.436 304 H N 2.536 121.271 119.070 -0.559 0.000 2.787 304 H HA 0.207 4.765 4.556 0.003 0.000 0.275 304 H C 0.075 175.151 175.328 -0.419 0.000 1.183 304 H CA 0.022 55.823 56.048 -0.412 0.000 1.290 304 H CB 1.203 30.738 29.762 -0.379 0.000 1.438 304 H HN 0.651 nan 8.280 nan 0.000 0.487 305 S N 3.123 118.542 115.700 -0.469 0.000 2.540 305 S HA 0.246 4.718 4.470 0.005 0.000 0.222 305 S C 0.644 175.121 174.600 -0.206 0.000 1.008 305 S CA -0.022 58.045 58.200 -0.221 0.000 0.939 305 S CB 0.026 63.216 63.200 -0.017 0.000 0.865 305 S HN 0.754 nan 8.310 nan 0.000 0.499 306 A N 1.008 123.622 122.820 -0.343 0.000 2.567 306 A HA 0.549 4.872 4.320 0.005 0.000 0.240 306 A C 0.693 178.177 177.584 -0.167 0.000 1.053 306 A CA 0.726 52.653 52.037 -0.184 0.000 0.755 306 A CB -0.488 18.458 19.000 -0.090 0.000 0.978 306 A HN 0.730 nan 8.150 nan 0.000 0.507 307 G N -0.077 108.701 108.800 -0.036 0.000 2.404 307 G HA2 0.606 4.569 3.960 0.005 0.000 0.298 307 G HA3 0.606 4.569 3.960 0.005 0.000 0.298 307 G C -0.986 173.954 174.900 0.066 0.000 1.577 307 G CA 0.058 45.174 45.100 0.026 0.000 0.847 307 G HN 2.033 nan 8.290 nan 0.000 0.598 308 V N -1.513 118.444 119.914 0.071 0.000 2.864 308 V HA 0.951 5.073 4.120 0.005 0.000 0.314 308 V C 0.657 176.757 176.094 0.010 0.000 1.073 308 V CA -0.010 62.303 62.300 0.023 0.000 0.956 308 V CB 1.593 33.346 31.823 -0.116 0.000 1.023 308 V HN 2.047 nan 8.190 nan 0.000 0.435 309 A N 1.060 123.812 122.820 -0.114 0.000 2.358 309 A HA 0.318 4.641 4.320 0.005 0.000 0.223 309 A C 0.866 178.332 177.584 -0.197 0.000 1.218 309 A CA 0.238 52.060 52.037 -0.358 0.000 0.942 309 A CB -0.400 18.167 19.000 -0.722 0.000 1.005 309 A HN 1.154 nan 8.150 nan 0.000 0.514 310 H N -1.168 117.863 119.070 -0.065 0.000 2.603 310 H HA 0.372 4.931 4.556 0.005 0.000 0.370 310 H C -0.468 174.848 175.328 -0.020 0.000 1.225 310 H CA 0.723 56.748 56.048 -0.037 0.000 1.410 310 H CB 0.519 30.264 29.762 -0.027 0.000 1.495 310 H HN 0.107 nan 8.280 nan 0.000 0.602 311 D N -0.353 120.106 120.400 0.099 0.000 2.870 311 D HA -0.163 4.480 4.640 0.005 0.000 0.228 311 D C -0.482 175.801 176.300 -0.029 0.000 1.147 311 D CA 1.114 55.143 54.000 0.048 0.000 0.757 311 D CB -0.617 40.249 40.800 0.111 0.000 1.091 311 D HN 0.621 nan 8.370 nan 0.000 0.429 312 D N -0.756 119.619 120.400 -0.042 0.000 2.478 312 D HA 0.810 5.453 4.640 0.005 0.000 0.269 312 D C 0.009 176.257 176.300 -0.087 0.000 1.232 312 D CA 0.416 54.382 54.000 -0.058 0.000 1.059 312 D CB 1.215 41.986 40.800 -0.048 0.000 1.104 312 D HN 0.195 nan 8.370 nan 0.000 0.566 313 A N 0.252 123.010 122.820 -0.102 0.000 2.601 313 A HA 0.561 4.884 4.320 0.005 0.000 0.291 313 A C -2.803 174.719 177.584 -0.104 0.000 1.075 313 A CA -1.089 50.887 52.037 -0.101 0.000 0.671 313 A CB 1.099 20.060 19.000 -0.064 0.000 1.277 313 A HN 0.313 nan 8.150 nan 0.000 0.417 314 P HA 0.149 nan 4.420 nan 0.000 0.267 314 P C 1.229 178.509 177.300 -0.033 0.000 1.201 314 P CA -0.043 63.012 63.100 -0.076 0.000 0.775 314 P CB 0.510 32.172 31.700 -0.062 0.000 0.854 315 V N 2.533 122.441 119.914 -0.011 0.000 2.317 315 V HA -0.331 3.792 4.120 0.005 0.000 0.251 315 V C 2.202 178.329 176.094 0.056 0.000 1.065 315 V CA 2.779 65.098 62.300 0.032 0.000 1.049 315 V CB -1.537 30.333 31.823 0.077 0.000 0.651 315 V HN 0.710 nan 8.190 nan 0.000 0.450 316 A N -1.083 121.805 122.820 0.114 0.000 2.168 316 A HA -0.130 4.193 4.320 0.005 0.000 0.215 316 A C 1.754 179.346 177.584 0.014 0.000 1.152 316 A CA 1.638 53.718 52.037 0.072 0.000 0.716 316 A CB -0.250 18.824 19.000 0.123 0.000 0.794 316 A HN 0.609 nan 8.150 nan 0.000 0.465 317 D N -1.613 118.786 120.400 -0.001 0.000 2.469 317 D HA 0.124 4.767 4.640 0.005 0.000 0.240 317 D C 0.392 176.671 176.300 -0.036 0.000 1.087 317 D CA -0.303 53.684 54.000 -0.021 0.000 0.876 317 D CB -0.186 40.599 40.800 -0.025 0.000 1.160 317 D HN 0.326 nan 8.370 nan 0.000 0.497 318 L N 2.802 124.002 121.223 -0.039 0.000 2.601 318 L HA 0.071 4.414 4.340 0.005 0.000 0.277 318 L C 0.640 177.469 176.870 -0.068 0.000 1.219 318 L CA 0.449 55.258 54.840 -0.052 0.000 0.915 318 L CB 0.244 42.274 42.059 -0.048 0.000 1.160 318 L HN 0.023 nan 8.230 nan 0.000 0.494 319 T N 2.250 116.755 114.554 -0.080 0.000 2.902 319 T HA 0.318 4.671 4.350 0.005 0.000 0.280 319 T C 1.489 176.084 174.700 -0.176 0.000 0.992 319 T CA -0.701 61.331 62.100 -0.113 0.000 1.015 319 T CB 0.696 69.506 68.868 -0.096 0.000 1.044 319 T HN 0.595 nan 8.240 nan 0.000 0.520 320 L N 1.120 122.178 121.223 -0.276 0.000 2.083 320 L HA 0.058 4.401 4.340 0.005 0.000 0.209 320 L C 3.003 179.520 176.870 -0.589 0.000 1.083 320 L CA 1.618 56.143 54.840 -0.524 0.000 0.752 320 L CB -1.153 40.397 42.059 -0.849 0.000 0.899 320 L HN 1.001 nan 8.230 nan 0.000 0.433 321 G N -0.868 107.711 108.800 -0.367 0.000 2.432 321 G HA2 -0.238 3.725 3.960 0.005 0.000 0.219 321 G HA3 -0.238 3.725 3.960 0.005 0.000 0.219 321 G C 1.527 176.374 174.900 -0.089 0.000 1.135 321 G CA 0.285 45.306 45.100 -0.132 0.000 0.767 321 G HN 0.391 nan 8.290 nan 0.000 0.550 322 Q N -0.803 118.938 119.800 -0.097 0.000 2.079 322 Q HA -0.008 4.335 4.340 0.005 0.000 0.200 322 Q C 2.484 178.440 176.000 -0.073 0.000 0.974 322 Q CA 0.880 56.642 55.803 -0.068 0.000 0.840 322 Q CB -0.263 28.439 28.738 -0.060 0.000 0.898 322 Q HN 0.397 nan 8.270 nan 0.000 0.430 323 L N 1.474 122.636 121.223 -0.103 0.000 2.012 323 L HA -0.235 4.108 4.340 0.005 0.000 0.210 323 L C 1.698 178.525 176.870 -0.073 0.000 1.073 323 L CA 2.236 57.025 54.840 -0.085 0.000 0.748 323 L CB -0.721 41.270 42.059 -0.115 0.000 0.891 323 L HN 0.178 nan 8.230 nan 0.000 0.431 324 D N -0.958 119.385 120.400 -0.096 0.000 2.116 324 D HA -0.214 4.429 4.640 0.005 0.000 0.193 324 D C 2.098 178.390 176.300 -0.013 0.000 0.998 324 D CA 1.583 55.565 54.000 -0.031 0.000 0.836 324 D CB -0.054 40.769 40.800 0.039 0.000 0.951 324 D HN 0.475 nan 8.370 nan 0.000 0.449 325 A N -0.369 122.440 122.820 -0.019 0.000 1.969 325 A HA -0.047 4.275 4.320 0.005 0.000 0.218 325 A C 2.264 179.830 177.584 -0.030 0.000 1.169 325 A CA 0.810 52.837 52.037 -0.016 0.000 0.635 325 A CB -0.612 18.376 19.000 -0.020 0.000 0.810 325 A HN 0.346 nan 8.150 nan 0.000 0.445 326 L N -1.022 120.182 121.223 -0.031 0.000 2.156 326 L HA -0.102 4.241 4.340 0.005 0.000 0.208 326 L C 2.562 179.440 176.870 0.013 0.000 1.095 326 L CA 0.673 55.512 54.840 -0.002 0.000 0.770 326 L CB -0.316 41.760 42.059 0.027 0.000 0.914 326 L HN 0.318 nan 8.230 nan 0.000 0.439 327 M N -0.906 118.689 119.600 -0.008 0.000 2.349 327 M HA -0.111 4.372 4.480 0.005 0.000 0.266 327 M C 2.232 178.515 176.300 -0.029 0.000 1.076 327 M CA 1.139 56.423 55.300 -0.027 0.000 1.126 327 M CB -0.987 31.583 32.600 -0.051 0.000 1.392 327 M HN 0.197 nan 8.290 nan 0.000 0.440 328 R N 0.834 121.328 120.500 -0.011 0.000 2.112 328 R HA -0.174 4.169 4.340 0.005 0.000 0.242 328 R C 1.941 178.255 176.300 0.023 0.000 1.137 328 R CA 2.246 58.347 56.100 0.001 0.000 0.944 328 R CB -0.231 30.080 30.300 0.020 0.000 0.857 328 R HN 0.340 nan 8.270 nan 0.000 0.435 329 A N -0.220 122.630 122.820 0.051 0.000 2.206 329 A HA -0.007 4.316 4.320 0.005 0.000 0.211 329 A C 1.420 179.113 177.584 0.182 0.000 1.158 329 A CA 0.726 52.826 52.037 0.105 0.000 0.761 329 A CB 0.036 19.078 19.000 0.070 0.000 0.801 329 A HN 0.194 nan 8.150 nan 0.000 0.473 330 K N -0.968 119.499 120.400 0.112 0.000 2.323 330 K HA 0.248 4.571 4.320 0.005 0.000 0.232 330 K C 1.863 178.528 176.600 0.107 0.000 1.068 330 K CA 0.432 56.814 56.287 0.159 0.000 0.892 330 K CB -1.123 31.426 32.500 0.081 0.000 1.207 330 K HN 0.353 nan 8.250 nan 0.000 0.456 331 L N 1.858 123.023 121.223 -0.095 0.000 1.976 331 L HA -0.184 4.159 4.340 0.005 0.000 0.209 331 L C 2.245 178.918 176.870 -0.329 0.000 1.071 331 L CA 1.880 56.425 54.840 -0.491 0.000 0.746 331 L CB -0.580 41.067 42.059 -0.686 0.000 0.890 331 L HN 0.220 nan 8.230 nan 0.000 0.432 332 T N 0.007 114.417 114.554 -0.241 0.000 2.708 332 T HA -0.139 4.214 4.350 0.005 0.000 0.266 332 T C 1.854 176.319 174.700 -0.392 0.000 1.037 332 T CA 1.324 63.234 62.100 -0.315 0.000 1.146 332 T CB -0.434 68.316 68.868 -0.197 0.000 0.865 332 T HN 0.562 nan 8.240 nan 0.000 0.435 333 A N 1.356 124.090 122.820 -0.144 0.000 1.898 333 A HA 0.235 4.558 4.320 0.005 0.000 0.216 333 A C 2.631 180.129 177.584 -0.143 0.000 1.181 333 A CA 1.723 53.725 52.037 -0.058 0.000 0.620 333 A CB -1.069 17.985 19.000 0.091 0.000 0.819 333 A HN 0.495 nan 8.150 nan 0.000 0.442 334 A N -0.206 122.534 122.820 -0.132 0.000 1.898 334 A HA -0.149 4.174 4.320 0.005 0.000 0.216 334 A C 2.254 179.927 177.584 0.149 0.000 1.181 334 A CA 1.682 53.683 52.037 -0.059 0.000 0.620 334 A CB -0.522 18.564 19.000 0.144 0.000 0.819 334 A HN 0.565 nan 8.150 nan 0.000 0.442 335 R N -0.790 119.777 120.500 0.111 0.000 2.083 335 R HA -0.217 4.126 4.340 0.005 0.000 0.237 335 R C 2.002 178.395 176.300 0.155 0.000 1.137 335 R CA 2.111 58.297 56.100 0.144 0.000 0.951 335 R CB -0.587 29.722 30.300 0.015 0.000 0.851 335 R HN 0.775 nan 8.270 nan 0.000 0.434 336 H N 0.044 119.170 119.070 0.094 0.000 2.352 336 H HA -0.124 4.434 4.556 0.005 0.000 0.299 336 H C 2.246 177.619 175.328 0.075 0.000 1.097 336 H CA 1.553 57.638 56.048 0.061 0.000 1.311 336 H CB -0.035 29.746 29.762 0.031 0.000 1.377 336 H HN 0.188 nan 8.280 nan 0.000 0.504 337 L N -0.274 121.079 121.223 0.217 0.000 2.046 337 L HA -0.219 4.124 4.340 0.005 0.000 0.208 337 L C 2.647 179.724 176.870 0.346 0.000 1.077 337 L CA 1.461 56.443 54.840 0.236 0.000 0.747 337 L CB -0.401 41.724 42.059 0.110 0.000 0.896 337 L HN 0.390 nan 8.230 nan 0.000 0.432 338 H N 0.442 119.659 119.070 0.244 0.000 2.293 338 H HA -0.188 4.371 4.556 0.006 0.000 0.300 338 H C 2.097 177.402 175.328 -0.039 0.000 1.082 338 H CA 2.108 58.132 56.048 -0.040 0.000 1.308 338 H CB 0.025 29.782 29.762 -0.009 0.000 1.375 338 H HN 0.299 nan 8.280 nan 0.000 0.495 339 E N -0.060 120.042 120.200 -0.162 0.000 2.077 339 E HA -0.103 4.250 4.350 0.005 0.000 0.193 339 E C 2.235 178.751 176.600 -0.140 0.000 0.989 339 E CA 1.262 57.533 56.400 -0.216 0.000 0.800 339 E CB 0.004 29.701 29.700 -0.005 0.000 0.746 339 E HN 0.486 nan 8.360 nan 0.000 0.452 340 L N 0.414 121.614 121.223 -0.039 0.000 2.492 340 L HA -0.011 4.332 4.340 0.005 0.000 0.223 340 L C 2.221 179.074 176.870 -0.028 0.000 1.132 340 L CA 1.102 55.928 54.840 -0.022 0.000 0.850 340 L CB -0.204 41.863 42.059 0.013 0.000 0.966 340 L HN 0.254 nan 8.230 nan 0.000 0.454 341 T N -4.921 109.607 114.554 -0.044 0.000 3.044 341 T HA 0.253 4.606 4.350 0.005 0.000 0.260 341 T C 1.705 176.330 174.700 -0.124 0.000 1.019 341 T CA 0.416 62.492 62.100 -0.041 0.000 0.921 341 T CB 0.477 69.375 68.868 0.051 0.000 1.053 341 T HN 0.136 nan 8.240 nan 0.000 0.533 342 A N 1.893 124.581 122.820 -0.220 0.000 2.076 342 A HA -0.062 4.261 4.320 0.005 0.000 0.220 342 A C 1.961 179.464 177.584 -0.135 0.000 1.160 342 A CA 1.356 53.248 52.037 -0.242 0.000 0.653 342 A CB -0.489 18.295 19.000 -0.360 0.000 0.801 342 A HN 0.543 nan 8.150 nan 0.000 0.455 343 D N -1.130 119.211 120.400 -0.099 0.000 2.363 343 D HA 0.187 4.829 4.640 0.005 0.000 0.214 343 D C 0.327 176.603 176.300 -0.039 0.000 1.093 343 D CA 0.131 54.094 54.000 -0.062 0.000 0.837 343 D CB 0.512 41.281 40.800 -0.051 0.000 0.948 343 D HN 0.291 nan 8.370 nan 0.000 0.507 344 L N 0.102 121.303 121.223 -0.036 0.000 2.640 344 L HA 0.096 4.439 4.340 0.005 0.000 0.230 344 L C 0.260 177.128 176.870 -0.003 0.000 1.123 344 L CA 0.183 55.016 54.840 -0.012 0.000 0.900 344 L CB -0.096 41.963 42.059 -0.001 0.000 1.146 344 L HN -0.162 nan 8.230 nan 0.000 0.484 345 D N 0.343 120.735 120.400 -0.014 0.000 2.699 345 D HA -0.223 4.420 4.640 0.005 0.000 0.239 345 D C 0.054 176.364 176.300 0.016 0.000 1.136 345 D CA 0.375 54.374 54.000 -0.002 0.000 0.668 345 D CB -0.837 39.968 40.800 0.008 0.000 1.060 345 D HN 0.140 nan 8.370 nan 0.000 0.429 346 L N 0.117 121.349 121.223 0.014 0.000 2.499 346 L HA 0.035 4.378 4.340 0.005 0.000 0.281 346 L C 1.690 178.587 176.870 0.045 0.000 1.234 346 L CA -0.083 54.780 54.840 0.038 0.000 0.839 346 L CB 0.296 42.397 42.059 0.069 0.000 1.104 346 L HN 0.048 nan 8.230 nan 0.000 0.500 347 D N 0.879 121.314 120.400 0.059 0.000 2.249 347 D HA 0.144 4.787 4.640 0.005 0.000 0.205 347 D C 0.348 176.682 176.300 0.056 0.000 0.962 347 D CA 0.750 54.794 54.000 0.073 0.000 0.860 347 D CB 0.418 41.287 40.800 0.115 0.000 0.955 347 D HN 0.553 nan 8.370 nan 0.000 0.505 348 A N -0.050 122.791 122.820 0.035 0.000 2.517 348 A HA 0.550 4.873 4.320 0.005 0.000 0.297 348 A C -1.877 175.693 177.584 -0.023 0.000 1.050 348 A CA -0.653 51.368 52.037 -0.026 0.000 0.694 348 A CB 1.135 20.072 19.000 -0.104 0.000 1.277 348 A HN 0.019 nan 8.150 nan 0.000 0.400 349 F N 3.127 122.949 119.950 -0.214 0.000 2.676 349 F HA 0.559 5.087 4.527 0.001 0.000 0.371 349 F C -1.158 174.492 175.800 -0.250 0.000 1.141 349 F CA -0.412 57.456 58.000 -0.220 0.000 1.133 349 F CB 1.396 40.329 39.000 -0.111 0.000 1.376 349 F HN 0.372 nan 8.300 nan 0.000 0.491 350 V N 6.754 126.300 119.914 -0.613 0.000 2.398 350 V HA 0.460 4.583 4.120 0.005 0.000 0.286 350 V C -0.209 175.612 176.094 -0.454 0.000 1.026 350 V CA -0.687 61.328 62.300 -0.475 0.000 0.868 350 V CB 1.556 32.993 31.823 -0.643 0.000 0.982 350 V HN 0.544 nan 8.190 nan 0.000 0.443 351 L N 4.763 125.868 121.223 -0.196 0.000 2.341 351 L HA 0.597 4.940 4.340 0.005 0.000 0.278 351 L C -1.034 175.915 176.870 0.133 0.000 1.005 351 L CA -0.460 54.324 54.840 -0.094 0.000 0.818 351 L CB 1.775 43.822 42.059 -0.020 0.000 1.259 351 L HN 0.400 nan 8.230 nan 0.000 0.418 352 F N 1.688 121.625 119.950 -0.021 0.000 2.350 352 F HA 0.378 4.906 4.527 0.001 0.000 0.365 352 F C 0.784 176.558 175.800 -0.044 0.000 1.122 352 F CA -0.435 57.559 58.000 -0.010 0.000 1.139 352 F CB 1.276 40.389 39.000 0.188 0.000 1.220 352 F HN 0.463 nan 8.300 nan 0.000 0.499 353 S N 2.337 118.066 115.700 0.048 0.000 2.521 353 S HA 0.767 5.239 4.470 0.005 0.000 0.278 353 S C -0.230 174.322 174.600 -0.080 0.000 1.140 353 S CA -0.229 57.933 58.200 -0.063 0.000 1.028 353 S CB 1.439 64.578 63.200 -0.102 0.000 1.203 353 S HN 0.573 nan 8.310 nan 0.000 0.491 354 S N -2.067 113.524 115.700 -0.182 0.000 2.570 354 S HA 0.546 5.019 4.470 0.005 0.000 0.270 354 S C 0.812 175.195 174.600 -0.361 0.000 1.149 354 S CA 0.000 58.110 58.200 -0.150 0.000 0.837 354 S CB 0.784 63.878 63.200 -0.177 0.000 1.124 354 S HN 0.974 nan 8.310 nan 0.000 0.465 355 G N 1.568 110.068 108.800 -0.501 0.000 2.462 355 G HA2 -0.038 3.925 3.960 0.005 0.000 0.220 355 G HA3 -0.038 3.925 3.960 0.005 0.000 0.220 355 G C 1.501 175.665 174.900 -1.226 0.000 1.121 355 G CA 1.078 45.324 45.100 -1.423 0.000 0.758 355 G HN 1.121 nan 8.290 nan 0.000 0.559 356 A N 0.860 123.406 122.820 -0.458 0.000 2.024 356 A HA 0.266 4.589 4.320 0.005 0.000 0.220 356 A C 2.647 180.092 177.584 -0.232 0.000 1.164 356 A CA 2.139 54.043 52.037 -0.221 0.000 0.643 356 A CB -0.426 18.637 19.000 0.105 0.000 0.806 356 A HN 0.761 nan 8.150 nan 0.000 0.451 357 A N -1.320 121.322 122.820 -0.296 0.000 2.132 357 A HA 0.338 4.661 4.320 0.005 0.000 0.213 357 A C 1.978 179.455 177.584 -0.177 0.000 1.154 357 A CA 1.121 53.050 52.037 -0.180 0.000 0.753 357 A CB -0.168 18.734 19.000 -0.164 0.000 0.826 357 A HN 0.285 nan 8.150 nan 0.000 0.469 358 V N -1.736 117.949 119.914 -0.381 0.000 2.492 358 V HA -0.110 4.013 4.120 0.005 0.000 0.241 358 V C 2.109 178.184 176.094 -0.030 0.000 1.041 358 V CA 1.760 63.923 62.300 -0.228 0.000 1.057 358 V CB -0.597 31.052 31.823 -0.290 0.000 0.711 358 V HN 0.976 nan 8.190 nan 0.000 0.468 359 W N 0.198 121.542 121.300 0.073 0.000 2.842 359 W HA 0.669 5.330 4.660 0.001 0.000 0.267 359 W C 0.780 177.490 176.519 0.317 0.000 1.219 359 W CA 0.145 57.574 57.345 0.140 0.000 1.458 359 W CB -0.406 29.035 29.460 -0.032 0.000 1.006 359 W HN 0.307 nan 8.180 nan 0.000 0.603 360 G N 0.981 109.883 108.800 0.170 0.000 2.712 360 G HA2 0.221 4.183 3.960 0.005 0.000 0.686 360 G HA3 0.221 4.183 3.960 0.005 0.000 0.686 360 G C -0.939 174.206 174.900 0.408 0.000 1.181 360 G CA -0.378 44.874 45.100 0.254 0.000 0.762 360 G HN 0.586 nan 8.290 nan 0.000 0.641 361 S N 0.214 116.071 115.700 0.261 0.000 2.668 361 S HA 0.721 5.194 4.470 0.005 0.000 0.277 361 S C 0.632 175.373 174.600 0.235 0.000 1.170 361 S CA 0.653 59.033 58.200 0.300 0.000 0.994 361 S CB 0.966 64.333 63.200 0.278 0.000 1.051 361 S HN 2.234 nan 8.310 nan 0.000 0.484 362 G N 1.888 110.774 108.800 0.143 0.000 2.265 362 G HA2 0.419 4.382 3.960 0.005 0.000 0.240 362 G HA3 0.419 4.382 3.960 0.005 0.000 0.240 362 G C 1.212 176.139 174.900 0.045 0.000 1.270 362 G CA 0.499 45.622 45.100 0.038 0.000 0.901 362 G HN 1.938 nan 8.290 nan 0.000 0.507 363 G N 1.580 110.322 108.800 -0.096 0.000 2.175 363 G HA2 -0.207 3.756 3.960 0.005 0.000 0.244 363 G HA3 -0.207 3.756 3.960 0.005 0.000 0.244 363 G C 0.435 174.992 174.900 -0.573 0.000 0.982 363 G CA 0.430 45.344 45.100 -0.310 0.000 0.641 363 G HN 0.991 nan 8.290 nan 0.000 0.527 364 H N -0.184 118.894 119.070 0.013 0.000 2.674 364 H HA 0.196 4.755 4.556 0.005 0.000 0.235 364 H C -1.650 173.721 175.328 0.072 0.000 1.330 364 H CA -0.373 55.704 56.048 0.049 0.000 1.052 364 H CB 1.282 31.100 29.762 0.092 0.000 1.954 364 H HN 0.324 nan 8.280 nan 0.000 0.566 365 P HA -0.089 nan 4.420 nan 0.000 0.216 365 P C 1.813 179.155 177.300 0.069 0.000 1.153 365 P CA 1.226 64.351 63.100 0.042 0.000 0.844 365 P CB 0.101 31.795 31.700 -0.011 0.000 0.787 366 G N -1.167 107.676 108.800 0.071 0.000 2.408 366 G HA2 -0.279 3.684 3.960 0.005 0.000 0.217 366 G HA3 -0.279 3.684 3.960 0.005 0.000 0.217 366 G C 1.614 176.594 174.900 0.132 0.000 1.150 366 G CA 0.324 45.466 45.100 0.069 0.000 0.776 366 G HN 0.189 nan 8.290 nan 0.000 0.542 367 Y N 1.946 122.266 120.300 0.033 0.000 2.293 367 Y HA 0.152 4.707 4.550 0.007 0.000 0.291 367 Y C 2.808 178.727 175.900 0.031 0.000 1.137 367 Y CA 0.847 58.968 58.100 0.035 0.000 1.202 367 Y CB -0.202 38.299 38.460 0.067 0.000 0.990 367 Y HN 0.238 nan 8.280 nan 0.000 0.537 368 A N 0.277 123.172 122.820 0.125 0.000 1.873 368 A HA -0.069 4.254 4.320 0.005 0.000 0.215 368 A C 2.436 180.018 177.584 -0.003 0.000 1.186 368 A CA 1.749 53.792 52.037 0.010 0.000 0.616 368 A CB -1.431 17.604 19.000 0.059 0.000 0.823 368 A HN 0.530 nan 8.150 nan 0.000 0.442 369 A N -0.046 122.796 122.820 0.037 0.000 1.877 369 A HA 0.140 4.463 4.320 0.005 0.000 0.216 369 A C 2.524 180.138 177.584 0.049 0.000 1.186 369 A CA 2.224 54.295 52.037 0.057 0.000 0.620 369 A CB -1.087 17.948 19.000 0.058 0.000 0.822 369 A HN 1.066 nan 8.150 nan 0.000 0.443 370 A N 0.112 122.939 122.820 0.011 0.000 1.902 370 A HA -0.195 4.128 4.320 0.005 0.000 0.217 370 A C 1.961 179.547 177.584 0.005 0.000 1.181 370 A CA 1.665 53.708 52.037 0.010 0.000 0.623 370 A CB -0.634 18.358 19.000 -0.012 0.000 0.818 370 A HN 0.591 nan 8.150 nan 0.000 0.443 371 N N 0.215 118.835 118.700 -0.133 0.000 2.244 371 N HA -0.074 4.669 4.740 0.005 0.000 0.183 371 N C 1.881 177.356 175.510 -0.059 0.000 1.016 371 N CA 1.243 54.200 53.050 -0.155 0.000 0.866 371 N CB -0.334 37.931 38.487 -0.370 0.000 0.980 371 N HN 0.483 nan 8.380 nan 0.000 0.430 372 A N 0.438 123.248 122.820 -0.016 0.000 1.969 372 A HA -0.176 4.146 4.320 0.005 0.000 0.218 372 A C 2.040 179.653 177.584 0.049 0.000 1.169 372 A CA 0.827 52.881 52.037 0.027 0.000 0.635 372 A CB -0.806 18.247 19.000 0.089 0.000 0.810 372 A HN 0.404 nan 8.150 nan 0.000 0.445 373 Y N 0.720 121.016 120.300 -0.006 0.000 2.224 373 Y HA -0.167 4.390 4.550 0.011 0.000 0.289 373 Y C 1.879 177.773 175.900 -0.009 0.000 1.146 373 Y CA 1.692 59.789 58.100 -0.005 0.000 1.182 373 Y CB -0.266 38.192 38.460 -0.004 0.000 0.983 373 Y HN 0.233 nan 8.280 nan 0.000 0.524 374 L N -0.235 120.987 121.223 -0.001 0.000 2.012 374 L HA -0.262 4.081 4.340 0.005 0.000 0.210 374 L C 2.183 178.985 176.870 -0.113 0.000 1.073 374 L CA 1.686 56.496 54.840 -0.050 0.000 0.748 374 L CB -0.712 41.374 42.059 0.047 0.000 0.891 374 L HN 0.211 nan 8.230 nan 0.000 0.431 375 D N 0.237 120.583 120.400 -0.090 0.000 2.117 375 D HA -0.165 4.478 4.640 0.005 0.000 0.197 375 D C 2.215 178.445 176.300 -0.117 0.000 0.987 375 D CA 1.598 55.549 54.000 -0.081 0.000 0.829 375 D CB 0.016 40.779 40.800 -0.061 0.000 0.961 375 D HN 0.338 nan 8.370 nan 0.000 0.460 376 A N 0.978 123.693 122.820 -0.175 0.000 1.877 376 A HA -0.142 4.181 4.320 0.005 0.000 0.216 376 A C 2.205 179.638 177.584 -0.252 0.000 1.186 376 A CA 0.999 52.909 52.037 -0.212 0.000 0.620 376 A CB -0.754 18.114 19.000 -0.219 0.000 0.822 376 A HN 0.238 nan 8.150 nan 0.000 0.443 377 L N -0.194 120.782 121.223 -0.412 0.000 2.083 377 L HA -0.070 4.273 4.340 0.005 0.000 0.209 377 L C 2.613 179.387 176.870 -0.159 0.000 1.083 377 L CA 2.134 56.765 54.840 -0.349 0.000 0.752 377 L CB -0.678 41.089 42.059 -0.486 0.000 0.899 377 L HN 0.342 nan 8.230 nan 0.000 0.433 378 A N -0.916 121.848 122.820 -0.094 0.000 1.933 378 A HA -0.170 4.152 4.320 0.005 0.000 0.218 378 A C 2.173 179.723 177.584 -0.057 0.000 1.175 378 A CA 1.667 53.687 52.037 -0.027 0.000 0.628 378 A CB -0.519 18.481 19.000 -0.000 0.000 0.814 378 A HN 0.532 nan 8.150 nan 0.000 0.444 379 E N -0.857 119.304 120.200 -0.065 0.000 2.072 379 E HA -0.176 4.177 4.350 0.005 0.000 0.191 379 E C 1.926 178.483 176.600 -0.071 0.000 0.985 379 E CA 1.129 57.491 56.400 -0.063 0.000 0.801 379 E CB -0.605 29.055 29.700 -0.066 0.000 0.750 379 E HN 0.853 nan 8.360 nan 0.000 0.452 380 H N 1.358 120.326 119.070 -0.170 0.000 2.319 380 H HA -0.044 4.517 4.556 0.007 0.000 0.299 380 H C 2.159 177.384 175.328 -0.171 0.000 1.092 380 H CA 1.566 57.509 56.048 -0.174 0.000 1.302 380 H CB 0.224 29.857 29.762 -0.215 0.000 1.373 380 H HN 0.017 nan 8.280 nan 0.000 0.497 381 R N -0.051 120.295 120.500 -0.255 0.000 2.103 381 R HA -0.137 4.206 4.340 0.005 0.000 0.242 381 R C 2.627 178.794 176.300 -0.221 0.000 1.142 381 R CA 1.266 57.196 56.100 -0.283 0.000 0.960 381 R CB -0.054 30.091 30.300 -0.258 0.000 0.858 381 R HN 0.312 nan 8.270 nan 0.000 0.439 382 R N 0.325 120.729 120.500 -0.159 0.000 2.091 382 R HA -0.107 4.235 4.340 0.005 0.000 0.238 382 R C 2.402 178.619 176.300 -0.138 0.000 1.136 382 R CA 1.778 57.807 56.100 -0.117 0.000 0.959 382 R CB -0.835 29.417 30.300 -0.080 0.000 0.856 382 R HN 0.345 nan 8.270 nan 0.000 0.437 383 S N 0.806 116.395 115.700 -0.185 0.000 2.419 383 S HA -0.096 4.377 4.470 0.005 0.000 0.235 383 S C 1.901 176.383 174.600 -0.198 0.000 1.019 383 S CA 0.987 59.074 58.200 -0.189 0.000 0.982 383 S CB -0.357 62.721 63.200 -0.203 0.000 0.789 383 S HN 0.317 nan 8.310 nan 0.000 0.490 384 L N 0.762 121.839 121.223 -0.243 0.000 2.592 384 L HA 0.364 4.706 4.340 0.005 0.000 0.227 384 L C 1.739 178.539 176.870 -0.116 0.000 1.127 384 L CA 0.237 54.969 54.840 -0.180 0.000 0.884 384 L CB -0.683 41.262 42.059 -0.189 0.000 1.065 384 L HN 0.563 nan 8.230 nan 0.000 0.457 385 G N 0.821 109.555 108.800 -0.109 0.000 2.147 385 G HA2 -0.259 3.704 3.960 0.005 0.000 0.244 385 G HA3 -0.259 3.704 3.960 0.005 0.000 0.244 385 G C -0.039 174.816 174.900 -0.074 0.000 1.005 385 G CA -0.100 44.953 45.100 -0.078 0.000 0.713 385 G HN 0.236 nan 8.290 nan 0.000 0.515 386 L N 0.154 121.320 121.223 -0.095 0.000 2.331 386 L HA 0.641 4.984 4.340 0.005 0.000 0.275 386 L C 1.053 177.870 176.870 -0.088 0.000 1.022 386 L CA -0.785 53.997 54.840 -0.097 0.000 0.812 386 L CB 1.879 43.861 42.059 -0.129 0.000 1.257 386 L HN 0.160 nan 8.230 nan 0.000 0.435 387 T N 1.615 116.132 114.554 -0.063 0.000 2.901 387 T HA 0.589 4.942 4.350 0.005 0.000 0.301 387 T C -0.345 174.349 174.700 -0.010 0.000 1.012 387 T CA -0.122 61.963 62.100 -0.025 0.000 1.135 387 T CB 0.372 69.244 68.868 0.006 0.000 0.936 387 T HN 0.754 nan 8.240 nan 0.000 0.539 388 A N 3.254 126.088 122.820 0.023 0.000 2.599 388 A HA 0.691 5.014 4.320 0.005 0.000 0.294 388 A C -0.615 177.004 177.584 0.059 0.000 1.055 388 A CA -0.648 51.455 52.037 0.109 0.000 0.683 388 A CB 1.244 20.304 19.000 0.100 0.000 1.278 388 A HN 1.186 nan 8.150 nan 0.000 0.412 389 S N -0.044 115.691 115.700 0.058 0.000 2.564 389 S HA 0.880 5.353 4.470 0.005 0.000 0.274 389 S C -0.545 174.058 174.600 0.005 0.000 1.124 389 S CA -0.029 58.180 58.200 0.016 0.000 0.869 389 S CB 1.589 64.791 63.200 0.003 0.000 1.105 389 S HN 2.070 nan 8.310 nan 0.000 0.472 390 S N 0.331 116.025 115.700 -0.009 0.000 2.502 390 S HA 0.748 5.221 4.470 0.005 0.000 0.304 390 S C -0.959 173.597 174.600 -0.074 0.000 1.097 390 S CA -0.779 57.407 58.200 -0.024 0.000 1.045 390 S CB 1.247 64.428 63.200 -0.032 0.000 1.019 390 S HN 0.840 nan 8.310 nan 0.000 0.481 391 V N 2.452 122.287 119.914 -0.131 0.000 2.326 391 V HA 0.682 4.805 4.120 0.005 0.000 0.281 391 V C 0.283 176.054 176.094 -0.539 0.000 1.015 391 V CA -0.690 61.375 62.300 -0.392 0.000 0.823 391 V CB 0.950 32.355 31.823 -0.696 0.000 1.009 391 V HN 1.145 nan 8.190 nan 0.000 0.436 392 A N 5.636 128.245 122.820 -0.351 0.000 2.343 392 A HA 0.545 4.868 4.320 0.005 0.000 0.305 392 A C -0.549 176.939 177.584 -0.160 0.000 1.308 392 A CA -0.383 51.500 52.037 -0.257 0.000 0.949 392 A CB -0.033 18.846 19.000 -0.203 0.000 1.148 392 A HN 0.818 nan 8.150 nan 0.000 0.545 393 W N 2.194 123.489 121.300 -0.009 0.000 2.251 393 W HA 0.466 5.135 4.660 0.015 0.000 0.329 393 W C 1.233 177.809 176.519 0.095 0.000 1.234 393 W CA 0.141 57.537 57.345 0.085 0.000 1.228 393 W CB 1.056 30.593 29.460 0.128 0.000 1.135 393 W HN 0.858 nan 8.180 nan 0.000 0.576 394 G N 0.918 109.991 108.800 0.456 0.000 2.830 394 G HA2 0.157 4.120 3.960 0.005 0.000 0.172 394 G HA3 0.157 4.120 3.960 0.005 0.000 0.172 394 G C -0.492 174.586 174.900 0.297 0.000 1.782 394 G CA 0.312 45.624 45.100 0.354 0.000 0.900 394 G HN 0.358 nan 8.290 nan 0.000 0.389 395 T N 0.147 114.831 114.554 0.217 0.000 2.824 395 T HA 0.392 4.745 4.350 0.005 0.000 0.282 395 T C -1.516 173.303 174.700 0.198 0.000 0.993 395 T CA -0.270 61.938 62.100 0.181 0.000 0.967 395 T CB 1.698 70.610 68.868 0.074 0.000 0.960 395 T HN 0.281 nan 8.240 nan 0.000 0.441 396 W N 2.114 123.369 121.300 -0.074 0.000 2.365 396 W HA 0.608 5.269 4.660 0.002 0.000 0.316 396 W C 0.884 177.374 176.519 -0.050 0.000 1.164 396 W CA -0.291 56.978 57.345 -0.127 0.000 1.204 396 W CB 0.729 30.041 29.460 -0.247 0.000 1.213 396 W HN 0.862 nan 8.180 nan 0.000 0.539 397 G N 1.351 110.207 108.800 0.092 0.000 2.547 397 G HA2 0.436 4.399 3.960 0.005 0.000 0.291 397 G HA3 0.436 4.399 3.960 0.005 0.000 0.291 397 G C 0.165 175.119 174.900 0.090 0.000 1.211 397 G CA 0.147 45.300 45.100 0.088 0.000 0.950 397 G HN 0.668 nan 8.290 nan 0.000 0.504 398 E N -3.000 117.227 120.200 0.043 0.000 4.795 398 E HA -0.287 4.065 4.350 0.005 0.000 0.162 398 E C 0.671 177.295 176.600 0.040 0.000 1.142 398 E CA 1.825 58.239 56.400 0.024 0.000 2.419 398 E CB -1.967 27.737 29.700 0.007 0.000 1.740 398 E HN 1.204 nan 8.360 nan 0.000 0.493 399 V N -2.198 117.770 119.914 0.091 0.000 3.040 399 V HA 0.867 4.990 4.120 0.005 0.000 0.312 399 V C 0.403 176.499 176.094 0.002 0.000 1.115 399 V CA 0.452 62.777 62.300 0.041 0.000 0.998 399 V CB 1.718 33.565 31.823 0.040 0.000 1.042 399 V HN 1.159 nan 8.190 nan 0.000 0.433 400 G N 2.726 111.492 108.800 -0.058 0.000 2.582 400 G HA2 -0.113 3.850 3.960 0.005 0.000 0.222 400 G HA3 -0.113 3.850 3.960 0.005 0.000 0.222 400 G C 0.114 174.984 174.900 -0.051 0.000 1.311 400 G CA 0.172 45.208 45.100 -0.107 0.000 0.915 400 G HN 1.822 nan 8.290 nan 0.000 0.528 401 M N -0.708 118.857 119.600 -0.059 0.000 2.319 401 M HA 0.331 4.814 4.480 0.005 0.000 0.265 401 M C 2.361 178.663 176.300 0.004 0.000 1.068 401 M CA 2.315 57.600 55.300 -0.025 0.000 1.118 401 M CB -0.244 32.337 32.600 -0.032 0.000 1.395 401 M HN 1.284 nan 8.290 nan 0.000 0.435 402 A N 1.244 124.082 122.820 0.030 0.000 2.238 402 A HA 0.034 4.357 4.320 0.005 0.000 0.208 402 A C 1.801 179.460 177.584 0.125 0.000 1.177 402 A CA 1.041 53.129 52.037 0.085 0.000 0.804 402 A CB -1.049 18.018 19.000 0.112 0.000 0.823 402 A HN 0.623 nan 8.150 nan 0.000 0.482 403 T N -2.043 112.548 114.554 0.062 0.000 3.500 403 T HA 0.178 4.531 4.350 0.005 0.000 0.244 403 T C -0.314 174.384 174.700 -0.003 0.000 0.962 403 T CA -0.188 61.923 62.100 0.018 0.000 0.932 403 T CB -0.435 68.431 68.868 -0.004 0.000 1.096 403 T HN 0.165 nan 8.240 nan 0.000 0.617 404 D N 1.179 121.600 120.400 0.035 0.000 2.629 404 D HA 0.340 4.983 4.640 0.005 0.000 0.250 404 D C -2.243 174.095 176.300 0.064 0.000 1.126 404 D CA -2.421 51.594 54.000 0.024 0.000 0.852 404 D CB 2.617 43.431 40.800 0.023 0.000 1.335 404 D HN -0.136 nan 8.370 nan 0.000 0.518 405 P HA -0.108 nan 4.420 nan 0.000 0.231 405 P C 0.638 177.982 177.300 0.072 0.000 1.154 405 P CA 0.889 64.024 63.100 0.059 0.000 0.762 405 P CB 0.496 32.203 31.700 0.012 0.000 0.790 406 E N -0.503 119.732 120.200 0.059 0.000 2.110 406 E HA -0.083 4.269 4.350 0.005 0.000 0.193 406 E C 1.666 178.304 176.600 0.063 0.000 0.950 406 E CA 0.659 57.089 56.400 0.050 0.000 0.840 406 E CB -0.684 29.035 29.700 0.031 0.000 0.809 406 E HN 0.030 nan 8.360 nan 0.000 0.465 407 V N -0.732 119.222 119.914 0.067 0.000 2.591 407 V HA -0.045 4.078 4.120 0.005 0.000 0.249 407 V C 2.379 178.518 176.094 0.075 0.000 1.053 407 V CA 1.964 64.300 62.300 0.059 0.000 1.068 407 V CB -0.960 30.884 31.823 0.036 0.000 0.689 407 V HN 0.364 nan 8.190 nan 0.000 0.462 408 H N 1.611 120.689 119.070 0.013 0.000 2.357 408 H HA -0.089 4.470 4.556 0.005 0.000 0.301 408 H C 1.858 177.198 175.328 0.020 0.000 1.082 408 H CA 2.304 58.362 56.048 0.017 0.000 1.342 408 H CB -0.123 29.646 29.762 0.011 0.000 1.389 408 H HN 0.426 nan 8.280 nan 0.000 0.511 409 D N -0.214 120.237 120.400 0.086 0.000 2.234 409 D HA -0.077 4.566 4.640 0.005 0.000 0.205 409 D C 2.283 178.578 176.300 -0.009 0.000 0.962 409 D CA 1.019 55.046 54.000 0.044 0.000 0.855 409 D CB -0.070 40.789 40.800 0.100 0.000 0.951 409 D HN 0.582 nan 8.370 nan 0.000 0.500 410 R N 0.914 121.419 120.500 0.007 0.000 2.082 410 R HA -0.055 4.288 4.340 0.005 0.000 0.228 410 R C 2.199 178.499 176.300 -0.000 0.000 1.140 410 R CA 0.919 57.029 56.100 0.017 0.000 0.920 410 R CB -1.127 29.203 30.300 0.050 0.000 0.828 410 R HN 0.113 nan 8.270 nan 0.000 0.430 411 L N 1.436 122.651 121.223 -0.014 0.000 1.990 411 L HA -0.203 4.140 4.340 0.005 0.000 0.213 411 L C 2.700 179.545 176.870 -0.041 0.000 1.072 411 L CA 1.338 56.177 54.840 -0.003 0.000 0.755 411 L CB -0.614 41.436 42.059 -0.015 0.000 0.889 411 L HN 0.070 nan 8.230 nan 0.000 0.432 412 V N -0.176 119.652 119.914 -0.143 0.000 2.407 412 V HA -0.262 3.861 4.120 0.005 0.000 0.248 412 V C 2.653 178.700 176.094 -0.077 0.000 1.055 412 V CA 1.946 64.150 62.300 -0.160 0.000 1.049 412 V CB -0.660 30.967 31.823 -0.327 0.000 0.662 412 V HN 0.448 nan 8.190 nan 0.000 0.455 413 R N 1.535 122.004 120.500 -0.052 0.000 2.148 413 R HA -0.140 4.203 4.340 0.005 0.000 0.223 413 R C 2.187 178.481 176.300 -0.010 0.000 1.088 413 R CA 1.629 57.716 56.100 -0.022 0.000 0.985 413 R CB -0.546 29.748 30.300 -0.010 0.000 0.880 413 R HN 0.749 nan 8.270 nan 0.000 0.451 414 Q N -1.143 118.660 119.800 0.005 0.000 2.444 414 Q HA 0.143 4.486 4.340 0.005 0.000 0.206 414 Q C 0.576 176.619 176.000 0.071 0.000 0.948 414 Q CA 0.758 56.574 55.803 0.021 0.000 0.946 414 Q CB 0.342 29.107 28.738 0.045 0.000 1.027 414 Q HN 0.395 nan 8.270 nan 0.000 0.513 415 G N 0.280 109.092 108.800 0.021 0.000 2.176 415 G HA2 -0.229 3.734 3.960 0.005 0.000 0.232 415 G HA3 -0.229 3.734 3.960 0.005 0.000 0.232 415 G C 0.048 174.859 174.900 -0.148 0.000 0.986 415 G CA -0.001 45.079 45.100 -0.033 0.000 0.643 415 G HN 0.247 nan 8.290 nan 0.000 0.522 416 V N 3.195 123.057 119.914 -0.087 0.000 2.267 416 V HA 0.444 4.567 4.120 0.005 0.000 0.254 416 V C 1.093 177.124 176.094 -0.104 0.000 1.144 416 V CA -0.330 61.878 62.300 -0.153 0.000 0.992 416 V CB 0.469 32.288 31.823 -0.007 0.000 1.199 416 V HN 0.354 nan 8.190 nan 0.000 0.493 417 L N 3.011 124.155 121.223 -0.131 0.000 2.453 417 L HA 0.575 4.918 4.340 0.005 0.000 0.261 417 L C 1.004 177.843 176.870 -0.052 0.000 1.179 417 L CA -0.354 54.431 54.840 -0.091 0.000 0.813 417 L CB 0.658 42.668 42.059 -0.082 0.000 1.110 417 L HN 0.583 nan 8.230 nan 0.000 0.466 418 A N 3.556 126.357 122.820 -0.032 0.000 2.454 418 A HA 0.403 4.726 4.320 0.005 0.000 0.260 418 A C 0.039 177.609 177.584 -0.024 0.000 1.106 418 A CA -0.248 51.797 52.037 0.014 0.000 0.780 418 A CB -0.030 19.046 19.000 0.127 0.000 1.044 418 A HN 0.699 nan 8.150 nan 0.000 0.498 419 M N 2.076 121.624 119.600 -0.086 0.000 2.250 419 M HA 0.167 4.650 4.480 0.005 0.000 0.344 419 M C 0.229 176.364 176.300 -0.276 0.000 1.150 419 M CA 0.235 55.428 55.300 -0.178 0.000 1.147 419 M CB 0.777 33.202 32.600 -0.292 0.000 1.498 419 M HN 0.681 nan 8.290 nan 0.000 0.461 420 E N 3.009 123.039 120.200 -0.283 0.000 2.290 420 E HA 0.055 4.408 4.350 0.005 0.000 0.277 420 E C -1.798 174.494 176.600 -0.513 0.000 1.035 420 E CA -1.609 54.557 56.400 -0.391 0.000 0.873 420 E CB 0.495 29.839 29.700 -0.593 0.000 1.029 420 E HN 0.362 nan 8.360 nan 0.000 0.419 421 P HA -0.241 nan 4.420 nan 0.000 0.216 421 P C 0.931 177.955 177.300 -0.460 0.000 1.154 421 P CA 1.237 63.913 63.100 -0.707 0.000 0.865 421 P CB 0.286 31.843 31.700 -0.238 0.000 0.789 422 E N -1.587 118.438 120.200 -0.293 0.000 2.110 422 E HA -0.204 4.149 4.350 0.005 0.000 0.193 422 E C 1.958 178.541 176.600 -0.028 0.000 0.988 422 E CA 1.270 57.587 56.400 -0.138 0.000 0.804 422 E CB -0.766 28.868 29.700 -0.110 0.000 0.745 422 E HN 0.467 nan 8.360 nan 0.000 0.458 423 H N 0.497 119.471 119.070 -0.160 0.000 2.326 423 H HA 0.064 4.623 4.556 0.005 0.000 0.301 423 H C 2.058 177.321 175.328 -0.109 0.000 1.081 423 H CA 1.185 57.169 56.048 -0.106 0.000 1.334 423 H CB -0.670 29.040 29.762 -0.088 0.000 1.385 423 H HN 0.188 nan 8.280 nan 0.000 0.504 424 A N 1.017 123.746 122.820 -0.152 0.000 1.908 424 A HA -0.123 4.199 4.320 0.005 0.000 0.218 424 A C 2.589 180.230 177.584 0.095 0.000 1.181 424 A CA 1.454 53.389 52.037 -0.170 0.000 0.627 424 A CB -0.924 17.482 19.000 -0.991 0.000 0.818 424 A HN 0.321 nan 8.150 nan 0.000 0.445 425 L N -0.928 120.291 121.223 -0.007 0.000 2.156 425 L HA -0.054 4.289 4.340 0.005 0.000 0.208 425 L C 2.784 179.757 176.870 0.170 0.000 1.095 425 L CA 0.872 55.819 54.840 0.178 0.000 0.770 425 L CB -0.722 41.415 42.059 0.130 0.000 0.914 425 L HN 0.482 nan 8.230 nan 0.000 0.439 426 G N -0.273 108.595 108.800 0.114 0.000 2.402 426 G HA2 -0.195 3.768 3.960 0.005 0.000 0.216 426 G HA3 -0.195 3.768 3.960 0.005 0.000 0.216 426 G C 1.800 176.763 174.900 0.105 0.000 1.162 426 G CA 0.746 45.906 45.100 0.100 0.000 0.777 426 G HN 0.433 nan 8.290 nan 0.000 0.539 427 A N 0.587 123.480 122.820 0.121 0.000 1.902 427 A HA 0.042 4.365 4.320 0.005 0.000 0.217 427 A C 2.343 180.009 177.584 0.138 0.000 1.181 427 A CA 1.688 53.796 52.037 0.118 0.000 0.623 427 A CB -0.492 18.587 19.000 0.132 0.000 0.818 427 A HN 0.459 nan 8.150 nan 0.000 0.443 428 L N 0.114 121.468 121.223 0.219 0.000 2.042 428 L HA -0.181 4.162 4.340 0.005 0.000 0.210 428 L C 1.586 178.568 176.870 0.187 0.000 1.076 428 L CA 2.554 57.523 54.840 0.215 0.000 0.749 428 L CB -0.737 41.559 42.059 0.395 0.000 0.893 428 L HN 0.323 nan 8.230 nan 0.000 0.432 429 D N -0.815 119.693 120.400 0.180 0.000 2.144 429 D HA -0.188 4.455 4.640 0.005 0.000 0.199 429 D C 2.218 178.583 176.300 0.108 0.000 0.984 429 D CA 1.181 55.271 54.000 0.150 0.000 0.834 429 D CB -0.055 40.820 40.800 0.125 0.000 0.955 429 D HN 0.536 nan 8.370 nan 0.000 0.465 430 Q N -0.237 119.615 119.800 0.086 0.000 2.096 430 Q HA -0.148 4.195 4.340 0.005 0.000 0.204 430 Q C 2.222 178.249 176.000 0.045 0.000 0.982 430 Q CA 0.941 56.776 55.803 0.054 0.000 0.850 430 Q CB -0.134 28.626 28.738 0.037 0.000 0.901 430 Q HN 0.332 nan 8.270 nan 0.000 0.422 431 M N 0.503 120.134 119.600 0.053 0.000 2.086 431 M HA -0.192 4.291 4.480 0.005 0.000 0.261 431 M C 1.915 178.246 176.300 0.052 0.000 1.067 431 M CA 1.493 56.815 55.300 0.038 0.000 1.116 431 M CB 0.006 32.625 32.600 0.031 0.000 1.348 431 M HN 0.228 nan 8.290 nan 0.000 0.407 432 L N -0.085 121.190 121.223 0.088 0.000 2.083 432 L HA -0.204 4.139 4.340 0.005 0.000 0.209 432 L C 2.439 179.354 176.870 0.075 0.000 1.083 432 L CA 1.005 55.903 54.840 0.097 0.000 0.752 432 L CB -0.759 41.393 42.059 0.155 0.000 0.899 432 L HN 0.294 nan 8.230 nan 0.000 0.433 433 E N 0.018 120.259 120.200 0.069 0.000 2.204 433 E HA -0.145 4.208 4.350 0.005 0.000 0.194 433 E C 1.634 178.254 176.600 0.033 0.000 0.989 433 E CA 0.761 57.192 56.400 0.052 0.000 0.824 433 E CB -0.247 29.481 29.700 0.047 0.000 0.756 433 E HN 0.484 nan 8.360 nan 0.000 0.477 434 N N 1.122 119.837 118.700 0.025 0.000 2.463 434 N HA -0.093 4.650 4.740 0.005 0.000 0.181 434 N C -0.096 175.419 175.510 0.008 0.000 1.078 434 N CA 0.430 53.485 53.050 0.008 0.000 0.902 434 N CB -0.011 38.471 38.487 -0.008 0.000 0.970 434 N HN 0.051 nan 8.380 nan 0.000 0.451 435 D N 1.234 121.647 120.400 0.021 0.000 2.701 435 D HA -0.170 4.473 4.640 0.005 0.000 0.235 435 D C -1.161 175.143 176.300 0.006 0.000 1.155 435 D CA 0.559 54.570 54.000 0.018 0.000 0.649 435 D CB -0.898 39.912 40.800 0.016 0.000 1.050 435 D HN 0.173 nan 8.370 nan 0.000 0.425 436 D N -0.877 119.524 120.400 0.001 0.000 2.399 436 D HA 0.093 4.735 4.640 0.005 0.000 0.241 436 D C 1.414 177.716 176.300 0.003 0.000 1.133 436 D CA 0.221 54.217 54.000 -0.007 0.000 0.890 436 D CB 0.977 41.765 40.800 -0.021 0.000 1.201 436 D HN 0.106 nan 8.370 nan 0.000 0.432 437 T N 0.201 114.759 114.554 0.006 0.000 2.894 437 T HA 0.182 4.535 4.350 0.005 0.000 0.258 437 T C 0.591 175.296 174.700 0.010 0.000 1.043 437 T CA 0.654 62.759 62.100 0.007 0.000 1.141 437 T CB 0.281 69.153 68.868 0.006 0.000 0.873 437 T HN 0.548 nan 8.240 nan 0.000 0.449 438 A N 0.180 123.014 122.820 0.024 0.000 2.486 438 A HA 0.860 5.183 4.320 0.005 0.000 0.300 438 A C -1.195 176.416 177.584 0.046 0.000 1.048 438 A CA -0.502 51.551 52.037 0.026 0.000 0.696 438 A CB 1.519 20.544 19.000 0.041 0.000 1.278 438 A HN 0.457 nan 8.150 nan 0.000 0.405 439 A N 0.367 123.197 122.820 0.017 0.000 2.604 439 A HA 0.895 5.218 4.320 0.005 0.000 0.295 439 A C -0.450 177.147 177.584 0.022 0.000 1.067 439 A CA 0.058 52.129 52.037 0.055 0.000 0.683 439 A CB 0.987 19.999 19.000 0.020 0.000 1.281 439 A HN 2.499 nan 8.150 nan 0.000 0.407 440 A N 1.013 123.904 122.820 0.119 0.000 2.305 440 A HA 0.775 5.098 4.320 0.005 0.000 0.322 440 A C -0.602 177.109 177.584 0.213 0.000 1.187 440 A CA -0.349 51.766 52.037 0.130 0.000 0.825 440 A CB 0.202 19.345 19.000 0.238 0.000 1.164 440 A HN 0.774 nan 8.150 nan 0.000 0.498 441 I N 2.062 122.732 120.570 0.165 0.000 2.411 441 I HA 0.462 4.635 4.170 0.005 0.000 0.284 441 I C -0.184 176.145 176.117 0.352 0.000 1.012 441 I CA -0.077 61.379 61.300 0.259 0.000 1.119 441 I CB 1.927 40.044 38.000 0.196 0.000 1.261 441 I HN 0.628 nan 8.210 nan 0.000 0.448 442 T N 6.571 121.318 114.554 0.321 0.000 3.193 442 T HA 0.374 4.726 4.350 0.005 0.000 0.332 442 T C -1.476 173.303 174.700 0.132 0.000 1.208 442 T CA -0.444 61.784 62.100 0.213 0.000 1.080 442 T CB 1.438 70.409 68.868 0.172 0.000 1.180 442 T HN 0.335 nan 8.240 nan 0.000 0.469 443 L N 6.355 127.601 121.223 0.039 0.000 2.315 443 L HA 0.627 4.970 4.340 0.005 0.000 0.283 443 L C -0.568 176.182 176.870 -0.200 0.000 1.089 443 L CA 0.084 54.908 54.840 -0.026 0.000 0.833 443 L CB 0.344 42.395 42.059 -0.014 0.000 1.170 443 L HN 0.633 nan 8.230 nan 0.000 0.442 444 M N 3.961 123.371 119.600 -0.318 0.000 2.364 444 M HA 0.303 4.786 4.480 0.005 0.000 0.334 444 M C -0.716 175.264 176.300 -0.534 0.000 1.107 444 M CA -0.553 54.299 55.300 -0.747 0.000 0.988 444 M CB 1.448 33.074 32.600 -1.624 0.000 1.673 444 M HN 0.470 nan 8.290 nan 0.000 0.441 445 D N 1.689 121.824 120.400 -0.442 0.000 2.467 445 D HA 0.186 4.829 4.640 0.005 0.000 0.220 445 D C 0.234 176.425 176.300 -0.181 0.000 1.103 445 D CA -0.171 53.697 54.000 -0.220 0.000 0.886 445 D CB 0.385 41.123 40.800 -0.103 0.000 1.025 445 D HN 0.534 nan 8.370 nan 0.000 0.514 446 W N 2.012 123.308 121.300 -0.006 0.000 2.467 446 W HA -0.036 4.625 4.660 0.003 0.000 0.275 446 W C 1.992 178.539 176.519 0.046 0.000 1.239 446 W CA -0.182 57.171 57.345 0.014 0.000 1.266 446 W CB 0.429 29.886 29.460 -0.005 0.000 1.112 446 W HN 0.384 nan 8.180 nan 0.000 0.576 447 E N -0.002 120.335 120.200 0.227 0.000 2.153 447 E HA -0.181 4.172 4.350 0.005 0.000 0.194 447 E C 1.908 178.571 176.600 0.104 0.000 0.988 447 E CA 1.424 57.911 56.400 0.144 0.000 0.811 447 E CB -0.502 29.255 29.700 0.095 0.000 0.746 447 E HN 0.456 nan 8.360 nan 0.000 0.466 448 M N -1.187 118.460 119.600 0.079 0.000 2.357 448 M HA 0.030 4.513 4.480 0.005 0.000 0.266 448 M C 2.077 178.409 176.300 0.054 0.000 1.095 448 M CA 0.679 56.005 55.300 0.045 0.000 1.156 448 M CB -0.198 32.411 32.600 0.014 0.000 1.365 448 M HN -0.031 nan 8.290 nan 0.000 0.447 449 F N 1.544 121.441 119.950 -0.087 0.000 2.098 449 F HA -0.010 4.521 4.527 0.006 0.000 0.294 449 F C 2.485 178.305 175.800 0.034 0.000 1.107 449 F CA 1.523 59.445 58.000 -0.130 0.000 1.234 449 F CB -0.358 38.374 39.000 -0.447 0.000 1.002 449 F HN 0.041 nan 8.300 nan 0.000 0.472 450 A N 0.724 123.738 122.820 0.324 0.000 1.865 450 A HA -0.152 4.171 4.320 0.005 0.000 0.217 450 A C -0.236 177.409 177.584 0.101 0.000 1.191 450 A CA 2.144 54.335 52.037 0.256 0.000 0.623 450 A CB -2.214 16.955 19.000 0.281 0.000 0.826 450 A HN 0.367 nan 8.150 nan 0.000 0.444 451 P HA -0.047 nan 4.420 nan 0.000 0.217 451 P C 1.689 178.979 177.300 -0.016 0.000 1.150 451 P CA 1.778 64.895 63.100 0.028 0.000 0.832 451 P CB -0.096 31.620 31.700 0.027 0.000 0.787 452 A N -1.148 121.636 122.820 -0.059 0.000 1.898 452 A HA -0.175 4.148 4.320 0.005 0.000 0.216 452 A C 2.075 179.583 177.584 -0.126 0.000 1.181 452 A CA 1.250 53.226 52.037 -0.102 0.000 0.620 452 A CB -1.815 17.107 19.000 -0.131 0.000 0.819 452 A HN 0.158 nan 8.150 nan 0.000 0.442 453 F N 1.543 121.265 119.950 -0.380 0.000 2.325 453 F HA -0.069 4.462 4.527 0.006 0.000 0.299 453 F C 2.196 177.894 175.800 -0.170 0.000 1.090 453 F CA 1.962 59.733 58.000 -0.383 0.000 1.392 453 F CB 0.052 38.656 39.000 -0.660 0.000 1.053 453 F HN 0.277 nan 8.300 nan 0.000 0.521 454 T N -2.603 111.941 114.554 -0.016 0.000 3.145 454 T HA 0.430 4.782 4.350 0.005 0.000 0.255 454 T C 1.746 176.414 174.700 -0.054 0.000 1.039 454 T CA 0.256 62.341 62.100 -0.025 0.000 0.928 454 T CB -0.117 68.800 68.868 0.082 0.000 1.029 454 T HN 0.157 nan 8.240 nan 0.000 0.554 455 A N 2.919 125.691 122.820 -0.081 0.000 1.933 455 A HA -0.064 4.259 4.320 0.005 0.000 0.218 455 A C 2.254 179.803 177.584 -0.059 0.000 1.175 455 A CA 1.324 53.326 52.037 -0.059 0.000 0.628 455 A CB -0.393 18.567 19.000 -0.067 0.000 0.814 455 A HN 0.563 nan 8.150 nan 0.000 0.444 456 N N -0.994 117.655 118.700 -0.085 0.000 2.294 456 N HA 0.083 4.826 4.740 0.005 0.000 0.186 456 N C 0.398 175.872 175.510 -0.059 0.000 1.107 456 N CA 0.556 53.564 53.050 -0.070 0.000 0.884 456 N CB 0.423 38.859 38.487 -0.085 0.000 1.030 456 N HN 0.790 nan 8.380 nan 0.000 0.482 457 R N 0.386 120.843 120.500 -0.071 0.000 2.629 457 R HA 0.416 4.759 4.340 0.005 0.000 0.266 457 R C -3.253 173.030 176.300 -0.029 0.000 1.051 457 R CA -1.155 54.922 56.100 -0.039 0.000 0.895 457 R CB 1.420 31.702 30.300 -0.029 0.000 1.246 457 R HN -0.252 nan 8.270 nan 0.000 0.459 458 P HA 0.018 nan 4.420 nan 0.000 0.270 458 P C -0.764 176.577 177.300 0.067 0.000 1.223 458 P CA -0.261 62.862 63.100 0.039 0.000 0.785 458 P CB 1.137 32.862 31.700 0.043 0.000 0.923 459 S N 0.287 116.060 115.700 0.122 0.000 2.566 459 S HA 0.502 4.975 4.470 0.005 0.000 0.324 459 S C 1.042 175.724 174.600 0.137 0.000 1.081 459 S CA -0.314 58.001 58.200 0.191 0.000 1.105 459 S CB 0.284 63.725 63.200 0.403 0.000 0.981 459 S HN 0.462 nan 8.310 nan 0.000 0.464 460 A N 5.458 128.346 122.820 0.112 0.000 2.066 460 A HA 0.089 4.412 4.320 0.005 0.000 0.218 460 A C 1.920 179.533 177.584 0.048 0.000 1.157 460 A CA 0.571 52.651 52.037 0.071 0.000 0.670 460 A CB -0.517 18.526 19.000 0.071 0.000 0.804 460 A HN 0.848 nan 8.150 nan 0.000 0.453 461 L N -0.524 120.748 121.223 0.081 0.000 2.081 461 L HA -0.144 4.199 4.340 0.005 0.000 0.212 461 L C 1.691 178.548 176.870 -0.023 0.000 1.080 461 L CA 1.624 56.485 54.840 0.035 0.000 0.754 461 L CB -0.187 41.949 42.059 0.129 0.000 0.893 461 L HN 0.450 nan 8.230 nan 0.000 0.433 462 L N -0.881 120.338 121.223 -0.006 0.000 2.592 462 L HA 0.017 4.360 4.340 0.005 0.000 0.227 462 L C 2.448 179.230 176.870 -0.146 0.000 1.127 462 L CA 0.450 55.217 54.840 -0.122 0.000 0.884 462 L CB -0.187 41.826 42.059 -0.077 0.000 1.065 462 L HN 0.266 nan 8.230 nan 0.000 0.457 463 S N -0.857 114.798 115.700 -0.075 0.000 2.440 463 S HA -0.166 4.307 4.470 0.005 0.000 0.238 463 S C 1.761 176.304 174.600 -0.094 0.000 1.010 463 S CA 1.554 59.714 58.200 -0.067 0.000 0.972 463 S CB -0.731 62.453 63.200 -0.026 0.000 0.774 463 S HN 0.552 nan 8.310 nan 0.000 0.501 464 T N -0.839 113.643 114.554 -0.121 0.000 3.086 464 T HA 0.392 4.745 4.350 0.005 0.000 0.250 464 T C 0.215 174.818 174.700 -0.162 0.000 1.074 464 T CA -0.325 61.706 62.100 -0.116 0.000 0.988 464 T CB -0.081 68.725 68.868 -0.103 0.000 0.988 464 T HN 0.189 nan 8.240 nan 0.000 0.530 465 V N 3.326 123.074 119.914 -0.276 0.000 2.311 465 V HA 0.290 4.413 4.120 0.005 0.000 0.275 465 V C -1.654 174.243 176.094 -0.329 0.000 1.022 465 V CA -1.816 60.233 62.300 -0.418 0.000 0.830 465 V CB 1.510 32.763 31.823 -0.950 0.000 1.012 465 V HN 0.064 nan 8.190 nan 0.000 0.452 466 P HA -0.082 nan 4.420 nan 0.000 0.218 466 P C 1.249 178.474 177.300 -0.126 0.000 1.149 466 P CA 0.904 63.943 63.100 -0.103 0.000 0.817 466 P CB 0.445 32.123 31.700 -0.038 0.000 0.785 467 E N -0.467 119.622 120.200 -0.186 0.000 2.150 467 E HA -0.110 4.243 4.350 0.005 0.000 0.193 467 E C 2.041 178.560 176.600 -0.135 0.000 0.985 467 E CA 1.397 57.721 56.400 -0.127 0.000 0.814 467 E CB -0.769 28.903 29.700 -0.047 0.000 0.752 467 E HN 0.184 nan 8.360 nan 0.000 0.466 468 A N 0.305 122.910 122.820 -0.359 0.000 1.903 468 A HA -0.047 4.276 4.320 0.005 0.000 0.213 468 A C 2.401 179.936 177.584 -0.082 0.000 1.185 468 A CA 0.688 52.606 52.037 -0.198 0.000 0.628 468 A CB -0.458 18.309 19.000 -0.389 0.000 0.830 468 A HN 0.128 nan 8.150 nan 0.000 0.446 469 V N 0.363 120.208 119.914 -0.115 0.000 2.287 469 V HA -0.251 3.872 4.120 0.005 0.000 0.248 469 V C 2.811 178.892 176.094 -0.022 0.000 1.053 469 V CA 2.440 64.707 62.300 -0.056 0.000 1.027 469 V CB -0.908 30.878 31.823 -0.062 0.000 0.646 469 V HN 0.564 nan 8.190 nan 0.000 0.447 470 S N 0.478 116.165 115.700 -0.023 0.000 2.359 470 S HA -0.226 4.247 4.470 0.005 0.000 0.224 470 S C 2.216 176.830 174.600 0.024 0.000 1.035 470 S CA 1.528 59.730 58.200 0.003 0.000 1.018 470 S CB -0.631 62.572 63.200 0.006 0.000 0.876 470 S HN 0.670 nan 8.310 nan 0.000 0.448 471 A N 1.060 123.906 122.820 0.045 0.000 1.972 471 A HA 0.035 4.358 4.320 0.005 0.000 0.219 471 A C 1.938 179.553 177.584 0.052 0.000 1.169 471 A CA 1.086 53.164 52.037 0.067 0.000 0.635 471 A CB -0.571 18.502 19.000 0.122 0.000 0.810 471 A HN 0.487 nan 8.150 nan 0.000 0.446 472 L N 0.509 121.757 121.223 0.041 0.000 2.591 472 L HA 0.047 4.390 4.340 0.005 0.000 0.228 472 L C 1.496 178.380 176.870 0.023 0.000 1.133 472 L CA 0.224 55.084 54.840 0.034 0.000 0.880 472 L CB -0.321 41.759 42.059 0.035 0.000 1.033 472 L HN 0.512 nan 8.230 nan 0.000 0.450 473 S N 0.000 115.711 115.700 0.019 0.000 2.498 473 S HA 0.000 4.473 4.470 0.005 0.000 0.327 473 S CA 0.000 58.208 58.200 0.014 0.000 1.107 473 S CB 0.000 63.206 63.200 0.010 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517