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 2nyl_1_C DATA FIRST_RESID 2 DATA SEQUENCE DEKVFTKELD QWIEQLNECK QLSESQVKSL CEKAKEILTK ESNVQEVRCP DATA SEQUENCE VTVCGDVHGQ FHDLMELFRI GGKSPDTNYL FMGDYVDRGY YSVETVTLLV DATA SEQUENCE ALKVRYRERI TILRGNHESR QITQVYGFYD ECLRKYGNAN VWKYFTDLFD DATA SEQUENCE YLPLTALVDG QIFCLHGGLS PSIDTLDHIR ALDRLQEVPH EGPMCDLLWS DATA SEQUENCE DPDDRGGWGI SPRGAGYTFG QDISETFNHA NGLTLVSRAH QLVMEGYNWC DATA SEQUENCE HDRNVVTIFS APNYCYRCGN QAAIMELDDT LKYSFLQFDP APR 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.295 176.300 -0.009 0.000 2.045 2 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 2 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 3 E N 1.273 121.471 120.200 -0.003 0.000 2.250 3 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 3 E C 1.015 177.620 176.600 0.008 0.000 0.986 3 E CA 0.886 57.290 56.400 0.006 0.000 0.849 3 E CB 0.269 29.968 29.700 -0.001 0.000 0.797 3 E HN 0.029 nan 8.360 nan 0.000 0.482 4 K N -0.491 119.907 120.400 -0.003 0.000 2.476 4 K HA 0.112 4.432 4.320 -0.000 0.000 0.196 4 K C 0.626 177.223 176.600 -0.005 0.000 1.025 4 K CA 0.078 56.358 56.287 -0.011 0.000 1.138 4 K CB 0.703 33.192 32.500 -0.017 0.000 0.860 4 K HN -0.061 nan 8.250 nan 0.000 0.515 5 V N 0.381 120.303 119.914 0.014 0.000 3.649 5 V HA 0.066 4.186 4.120 -0.000 0.000 0.275 5 V C 0.550 176.703 176.094 0.098 0.000 1.281 5 V CA 0.810 63.120 62.300 0.016 0.000 1.143 5 V CB -0.400 31.412 31.823 -0.019 0.000 0.892 5 V HN 0.302 nan 8.190 nan 0.000 0.441 6 F N 0.099 119.967 119.950 -0.136 0.000 1.975 6 F HA 0.108 4.635 4.527 -0.000 0.000 0.259 6 F C 2.100 177.781 175.800 -0.198 0.000 1.011 6 F CA 1.209 59.098 58.000 -0.186 0.000 1.196 6 F CB -0.127 38.778 39.000 -0.157 0.000 1.427 6 F HN -0.025 nan 8.300 nan 0.000 0.669 7 T N 1.279 115.758 114.554 -0.125 0.000 2.918 7 T HA -0.228 4.122 4.350 -0.000 0.000 0.271 7 T C 1.890 176.449 174.700 -0.236 0.000 1.104 7 T CA 1.893 63.844 62.100 -0.247 0.000 1.114 7 T CB -0.263 68.517 68.868 -0.147 0.000 0.855 7 T HN 0.173 nan 8.240 nan 0.000 0.518 8 K N 0.597 120.896 120.400 -0.169 0.000 2.243 8 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 8 K C 2.291 178.776 176.600 -0.191 0.000 1.051 8 K CA 0.775 56.977 56.287 -0.140 0.000 0.970 8 K CB 0.101 32.550 32.500 -0.085 0.000 0.755 8 K HN 0.378 nan 8.250 nan 0.000 0.465 9 E N 0.641 120.675 120.200 -0.275 0.000 2.076 9 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 9 E C 1.995 178.265 176.600 -0.550 0.000 0.979 9 E CA 0.433 56.596 56.400 -0.395 0.000 0.807 9 E CB 0.058 29.503 29.700 -0.425 0.000 0.761 9 E HN 0.245 nan 8.360 nan 0.000 0.454 10 L N 1.250 122.083 121.223 -0.651 0.000 2.013 10 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 10 L C 2.127 178.897 176.870 -0.166 0.000 1.073 10 L CA 1.646 56.218 54.840 -0.446 0.000 0.753 10 L CB -0.507 41.269 42.059 -0.472 0.000 0.890 10 L HN 0.218 nan 8.230 nan 0.000 0.432 11 D N -0.705 119.583 120.400 -0.186 0.000 2.220 11 D HA -0.262 4.378 4.640 -0.000 0.000 0.198 11 D C 2.126 178.419 176.300 -0.011 0.000 1.001 11 D CA 1.148 55.105 54.000 -0.071 0.000 0.875 11 D CB -0.094 40.661 40.800 -0.076 0.000 0.921 11 D HN 0.335 nan 8.370 nan 0.000 0.454 12 Q N -0.855 118.919 119.800 -0.044 0.000 2.061 12 Q HA -0.101 4.239 4.340 -0.000 0.000 0.195 12 Q C 2.021 178.117 176.000 0.161 0.000 0.967 12 Q CA 0.691 56.510 55.803 0.027 0.000 0.829 12 Q CB -0.385 28.342 28.738 -0.017 0.000 0.900 12 Q HN 0.313 nan 8.270 nan 0.000 0.450 13 W N 1.481 122.764 121.300 -0.028 0.000 2.290 13 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 13 W C 2.261 178.785 176.519 0.009 0.000 1.238 13 W CA 0.897 58.235 57.345 -0.011 0.000 1.255 13 W CB -0.954 28.486 29.460 -0.033 0.000 1.145 13 W HN 0.201 nan 8.180 nan 0.000 0.506 14 I N -0.577 120.142 120.570 0.248 0.000 2.202 14 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 14 I C 2.411 178.601 176.117 0.121 0.000 1.091 14 I CA 1.801 63.194 61.300 0.156 0.000 1.368 14 I CB -0.856 37.222 38.000 0.130 0.000 1.058 14 I HN -0.017 nan 8.210 nan 0.000 0.410 15 E N 1.021 121.284 120.200 0.104 0.000 2.114 15 E HA -0.361 3.989 4.350 -0.000 0.000 0.199 15 E C 2.151 178.803 176.600 0.087 0.000 1.008 15 E CA 2.025 58.472 56.400 0.078 0.000 0.810 15 E CB -0.070 29.668 29.700 0.063 0.000 0.739 15 E HN 0.507 nan 8.360 nan 0.000 0.456 16 Q N 0.287 120.152 119.800 0.108 0.000 1.967 16 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 16 Q C 2.476 178.522 176.000 0.076 0.000 0.985 16 Q CA 1.754 57.613 55.803 0.094 0.000 0.839 16 Q CB -0.179 28.630 28.738 0.119 0.000 0.906 16 Q HN 0.375 nan 8.270 nan 0.000 0.423 17 L N 1.038 122.314 121.223 0.087 0.000 2.043 17 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 17 L C 2.445 179.405 176.870 0.151 0.000 1.075 17 L CA 1.036 55.925 54.840 0.081 0.000 0.752 17 L CB -0.765 41.361 42.059 0.111 0.000 0.891 17 L HN 0.425 nan 8.230 nan 0.000 0.432 18 N N 0.141 118.941 118.700 0.168 0.000 2.430 18 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 18 N C 1.539 177.170 175.510 0.202 0.000 1.032 18 N CA 1.116 54.289 53.050 0.205 0.000 0.893 18 N CB 0.094 38.640 38.487 0.098 0.000 0.957 18 N HN 0.461 nan 8.380 nan 0.000 0.442 19 E N -0.673 119.598 120.200 0.117 0.000 2.474 19 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 19 E C -0.378 176.232 176.600 0.017 0.000 1.039 19 E CA -0.154 56.290 56.400 0.074 0.000 0.881 19 E CB 0.136 29.863 29.700 0.046 0.000 0.970 19 E HN 0.262 nan 8.360 nan 0.000 0.486 20 C N 1.619 120.877 119.300 -0.071 0.000 4.395 20 C HA -0.144 4.315 4.460 -0.000 0.000 0.314 20 C C -0.824 174.062 174.990 -0.173 0.000 1.198 20 C CA 0.502 59.302 59.018 -0.364 0.000 2.199 20 C CB -1.954 25.508 27.740 -0.462 0.000 1.280 20 C HN 0.260 nan 8.230 nan 0.000 0.686 21 K N 2.311 122.650 120.400 -0.102 0.000 2.637 21 K HA 0.335 4.655 4.320 -0.000 0.000 0.248 21 K C 0.000 176.578 176.600 -0.036 0.000 0.971 21 K CA -0.357 55.901 56.287 -0.048 0.000 0.858 21 K CB 1.482 33.976 32.500 -0.010 0.000 1.170 21 K HN 0.713 nan 8.250 nan 0.000 0.443 22 Q N 3.984 123.757 119.800 -0.045 0.000 2.333 22 Q HA 0.049 4.389 4.340 -0.000 0.000 0.299 22 Q C -0.388 175.626 176.000 0.024 0.000 1.067 22 Q CA 0.206 56.008 55.803 -0.003 0.000 0.943 22 Q CB 0.543 29.251 28.738 -0.050 0.000 1.233 22 Q HN 0.472 nan 8.270 nan 0.000 0.401 23 L N 2.009 123.241 121.223 0.015 0.000 2.474 23 L HA 0.114 4.454 4.340 -0.000 0.000 0.259 23 L C 0.783 177.686 176.870 0.055 0.000 1.232 23 L CA -0.309 54.477 54.840 -0.091 0.000 0.821 23 L CB 0.688 42.519 42.059 -0.380 0.000 1.108 23 L HN 0.928 nan 8.230 nan 0.000 0.495 24 S N -0.888 114.812 115.700 0.000 0.000 2.610 24 S HA 0.105 4.575 4.470 -0.000 0.000 0.273 24 S C 0.725 175.294 174.600 -0.052 0.000 1.274 24 S CA -0.641 57.605 58.200 0.077 0.000 1.023 24 S CB 1.651 64.884 63.200 0.055 0.000 0.962 24 S HN 0.731 nan 8.310 nan 0.000 0.523 25 E N 1.967 122.125 120.200 -0.071 0.000 2.045 25 E HA -0.290 4.060 4.350 -0.000 0.000 0.212 25 E C 2.093 178.528 176.600 -0.274 0.000 1.039 25 E CA 2.450 58.676 56.400 -0.289 0.000 0.860 25 E CB -0.562 29.037 29.700 -0.169 0.000 0.776 25 E HN 0.932 nan 8.360 nan 0.000 0.467 26 S N 0.184 115.792 115.700 -0.154 0.000 2.421 26 S HA -0.335 4.135 4.470 -0.000 0.000 0.239 26 S C 1.909 176.411 174.600 -0.163 0.000 1.054 26 S CA 1.897 60.012 58.200 -0.142 0.000 1.035 26 S CB -0.573 62.600 63.200 -0.044 0.000 0.840 26 S HN 0.388 nan 8.310 nan 0.000 0.475 27 Q N 0.316 120.024 119.800 -0.154 0.000 2.137 27 Q HA 0.075 4.415 4.340 -0.000 0.000 0.198 27 Q C 2.415 178.149 176.000 -0.444 0.000 0.960 27 Q CA 1.090 56.776 55.803 -0.193 0.000 0.847 27 Q CB -0.348 28.242 28.738 -0.247 0.000 0.915 27 Q HN 0.504 nan 8.270 nan 0.000 0.448 28 V N 1.718 121.341 119.914 -0.484 0.000 2.220 28 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 28 V C 2.337 178.068 176.094 -0.605 0.000 1.049 28 V CA 2.170 64.117 62.300 -0.588 0.000 1.003 28 V CB -0.629 30.812 31.823 -0.636 0.000 0.634 28 V HN 0.352 nan 8.190 nan 0.000 0.444 29 K N 0.182 120.122 120.400 -0.766 0.000 2.052 29 K HA -0.277 4.043 4.320 -0.000 0.000 0.215 29 K C 2.274 178.656 176.600 -0.364 0.000 1.053 29 K CA 2.389 58.206 56.287 -0.784 0.000 0.934 29 K CB -0.398 31.451 32.500 -1.086 0.000 0.717 29 K HN 0.513 nan 8.250 nan 0.000 0.450 30 S N 1.168 116.731 115.700 -0.228 0.000 2.380 30 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 30 S C 1.798 176.462 174.600 0.107 0.000 1.043 30 S CA 1.569 59.771 58.200 0.003 0.000 1.038 30 S CB -0.441 62.878 63.200 0.200 0.000 0.872 30 S HN 0.359 nan 8.310 nan 0.000 0.456 31 L N 1.502 122.726 121.223 0.003 0.000 2.027 31 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 31 L C 2.328 179.200 176.870 0.002 0.000 1.074 31 L CA 1.594 56.468 54.840 0.058 0.000 0.745 31 L CB -1.038 40.897 42.059 -0.207 0.000 0.898 31 L HN 0.349 nan 8.230 nan 0.000 0.433 32 C N -0.131 119.083 119.300 -0.142 0.000 2.429 32 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 32 C C 2.630 177.598 174.990 -0.036 0.000 1.262 32 C CA 0.511 59.471 59.018 -0.097 0.000 1.733 32 C CB -0.970 26.648 27.740 -0.203 0.000 2.010 32 C HN 0.569 nan 8.230 nan 0.000 0.483 33 E N 1.234 121.404 120.200 -0.050 0.000 2.049 33 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 33 E C 2.207 178.799 176.600 -0.012 0.000 1.007 33 E CA 1.219 57.598 56.400 -0.034 0.000 0.809 33 E CB -0.501 29.176 29.700 -0.037 0.000 0.749 33 E HN 0.506 nan 8.360 nan 0.000 0.450 34 K N 0.437 120.866 120.400 0.049 0.000 1.991 34 K HA -0.095 4.225 4.320 -0.000 0.000 0.212 34 K C 2.081 178.710 176.600 0.049 0.000 1.049 34 K CA 1.304 57.643 56.287 0.087 0.000 0.932 34 K CB -0.618 32.015 32.500 0.221 0.000 0.717 34 K HN 0.123 nan 8.250 nan 0.000 0.441 35 A N 1.778 124.634 122.820 0.059 0.000 1.997 35 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 35 A C 2.078 179.664 177.584 0.004 0.000 1.172 35 A CA 1.828 53.898 52.037 0.055 0.000 0.645 35 A CB -0.334 18.719 19.000 0.087 0.000 0.813 35 A HN 0.336 nan 8.150 nan 0.000 0.454 36 K N -0.497 119.864 120.400 -0.064 0.000 1.969 36 K HA -0.179 4.141 4.320 -0.000 0.000 0.220 36 K C 1.881 178.341 176.600 -0.232 0.000 1.040 36 K CA 1.630 57.766 56.287 -0.253 0.000 0.981 36 K CB -0.452 31.854 32.500 -0.324 0.000 0.746 36 K HN 0.623 nan 8.250 nan 0.000 0.444 37 E N 0.817 120.918 120.200 -0.166 0.000 2.172 37 E HA -0.269 4.081 4.350 -0.000 0.000 0.213 37 E C 1.996 178.562 176.600 -0.058 0.000 1.051 37 E CA 1.976 58.314 56.400 -0.103 0.000 0.860 37 E CB -0.557 29.112 29.700 -0.051 0.000 0.755 37 E HN 0.372 nan 8.360 nan 0.000 0.462 38 I N 0.370 120.925 120.570 -0.025 0.000 2.394 38 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 38 I C 2.317 178.448 176.117 0.023 0.000 1.136 38 I CA 0.885 62.192 61.300 0.011 0.000 1.425 38 I CB -0.196 37.825 38.000 0.034 0.000 1.079 38 I HN 0.084 nan 8.210 nan 0.000 0.425 39 L N -0.217 121.013 121.223 0.011 0.000 2.249 39 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 39 L C 2.569 179.479 176.870 0.068 0.000 1.090 39 L CA 0.777 55.656 54.840 0.064 0.000 0.802 39 L CB -0.501 41.631 42.059 0.120 0.000 0.947 39 L HN 0.171 nan 8.230 nan 0.000 0.453 40 T N 0.148 114.691 114.554 -0.017 0.000 2.544 40 T HA -0.295 4.055 4.350 -0.000 0.000 0.264 40 T C 1.745 176.485 174.700 0.066 0.000 1.096 40 T CA 1.619 63.737 62.100 0.030 0.000 1.181 40 T CB -0.245 68.596 68.868 -0.045 0.000 0.864 40 T HN 0.238 nan 8.240 nan 0.000 0.415 41 K N 1.292 121.715 120.400 0.038 0.000 2.318 41 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 41 K C 0.895 177.531 176.600 0.061 0.000 1.044 41 K CA 0.943 57.258 56.287 0.046 0.000 0.932 41 K CB -0.166 32.355 32.500 0.034 0.000 0.734 41 K HN 0.603 nan 8.250 nan 0.000 0.473 42 E N 0.682 120.927 120.200 0.076 0.000 2.349 42 E HA 0.062 4.411 4.350 -0.000 0.000 0.262 42 E C 0.362 177.017 176.600 0.091 0.000 1.088 42 E CA -0.367 56.083 56.400 0.083 0.000 0.899 42 E CB 1.225 30.979 29.700 0.091 0.000 1.044 42 E HN 0.119 nan 8.360 nan 0.000 0.420 43 S N 1.252 117.004 115.700 0.087 0.000 2.549 43 S HA 0.058 4.528 4.470 -0.000 0.000 0.260 43 S C 0.576 175.236 174.600 0.100 0.000 1.217 43 S CA 0.035 58.289 58.200 0.090 0.000 1.001 43 S CB 0.322 63.574 63.200 0.087 0.000 1.059 43 S HN 0.514 nan 8.310 nan 0.000 0.537 44 N N -1.411 117.352 118.700 0.105 0.000 2.348 44 N HA 0.249 4.989 4.740 -0.000 0.000 0.183 44 N C -0.920 174.662 175.510 0.120 0.000 1.094 44 N CA 0.134 53.250 53.050 0.110 0.000 0.885 44 N CB 0.540 39.096 38.487 0.115 0.000 1.065 44 N HN 0.296 nan 8.380 nan 0.000 0.472 45 V N 1.855 121.848 119.914 0.132 0.000 2.289 45 V HA 0.250 4.370 4.120 -0.000 0.000 0.272 45 V C -0.534 175.634 176.094 0.122 0.000 1.026 45 V CA -0.672 61.723 62.300 0.158 0.000 0.807 45 V CB 0.985 32.940 31.823 0.220 0.000 1.044 45 V HN 0.079 nan 8.190 nan 0.000 0.443 46 Q N 3.128 122.985 119.800 0.095 0.000 2.286 46 Q HA 0.154 4.494 4.340 -0.000 0.000 0.267 46 Q C 0.057 176.106 176.000 0.082 0.000 1.028 46 Q CA 0.492 56.346 55.803 0.084 0.000 0.901 46 Q CB 0.725 29.510 28.738 0.078 0.000 1.183 46 Q HN 0.758 nan 8.270 nan 0.000 0.392 47 E N 3.200 123.447 120.200 0.078 0.000 2.001 47 E HA 0.385 4.735 4.350 -0.000 0.000 0.279 47 E C -1.381 175.255 176.600 0.060 0.000 1.045 47 E CA -0.435 56.008 56.400 0.072 0.000 0.833 47 E CB 0.520 30.260 29.700 0.067 0.000 1.077 47 E HN 0.386 nan 8.360 nan 0.000 0.397 48 V N 5.948 125.895 119.914 0.056 0.000 2.487 48 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 48 V C -0.054 176.063 176.094 0.038 0.000 1.028 48 V CA -0.919 61.409 62.300 0.047 0.000 0.860 48 V CB 1.704 33.557 31.823 0.050 0.000 0.991 48 V HN 0.692 nan 8.190 nan 0.000 0.427 49 R N 3.176 123.695 120.500 0.031 0.000 2.490 49 R HA 0.471 4.811 4.340 -0.000 0.000 0.280 49 R C 0.370 176.677 176.300 0.011 0.000 1.077 49 R CA -0.525 55.588 56.100 0.022 0.000 1.065 49 R CB 0.246 30.558 30.300 0.020 0.000 1.003 49 R HN 0.786 nan 8.270 nan 0.000 0.470 50 C N 1.177 120.481 119.300 0.006 0.000 2.705 50 C HA 0.454 4.914 4.460 -0.000 0.000 0.348 50 C C -1.516 173.465 174.990 -0.014 0.000 1.386 50 C CA -1.388 57.625 59.018 -0.009 0.000 2.361 50 C CB -0.271 27.466 27.740 -0.005 0.000 2.486 50 C HN 0.734 nan 8.230 nan 0.000 0.728 51 P HA 0.541 nan 4.420 nan 0.000 0.279 51 P C -0.504 176.755 177.300 -0.068 0.000 1.252 51 P CA 0.125 63.197 63.100 -0.047 0.000 0.811 51 P CB 1.386 33.054 31.700 -0.054 0.000 1.035 52 V N -2.224 117.636 119.914 -0.090 0.000 3.130 52 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 52 V C -0.984 175.007 176.094 -0.172 0.000 1.413 52 V CA -0.737 61.487 62.300 -0.127 0.000 1.053 52 V CB 1.500 33.276 31.823 -0.078 0.000 1.075 52 V HN 0.511 nan 8.190 nan 0.000 0.465 53 T N 0.804 115.224 114.554 -0.224 0.000 2.879 53 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 53 T C -0.775 173.835 174.700 -0.150 0.000 0.993 53 T CA -0.344 61.623 62.100 -0.221 0.000 0.975 53 T CB 1.528 70.178 68.868 -0.363 0.000 0.981 53 T HN 0.781 nan 8.240 nan 0.000 0.439 54 V N 2.991 122.827 119.914 -0.129 0.000 2.406 54 V HA 0.361 4.481 4.120 -0.000 0.000 0.272 54 V C 0.004 176.017 176.094 -0.136 0.000 1.043 54 V CA -0.533 61.695 62.300 -0.121 0.000 0.915 54 V CB 0.773 32.545 31.823 -0.085 0.000 0.988 54 V HN 1.028 nan 8.190 nan 0.000 0.466 55 C N 4.452 123.617 119.300 -0.225 0.000 2.408 55 C HA 0.752 5.212 4.460 -0.000 0.000 0.321 55 C C 1.306 176.251 174.990 -0.074 0.000 1.245 55 C CA -0.228 58.659 59.018 -0.217 0.000 1.523 55 C CB 0.885 28.288 27.740 -0.561 0.000 2.178 55 C HN 1.051 nan 8.230 nan 0.000 0.488 56 G N 1.844 110.607 108.800 -0.062 0.000 3.287 56 G HA2 0.217 4.177 3.960 -0.000 0.000 0.172 56 G HA3 0.217 4.177 3.960 -0.000 0.000 0.172 56 G C -0.537 174.294 174.900 -0.114 0.000 1.922 56 G CA 0.203 45.265 45.100 -0.063 0.000 0.952 56 G HN 0.688 nan 8.290 nan 0.000 0.520 57 D N -1.077 119.129 120.400 -0.323 0.000 2.264 57 D HA 0.481 5.121 4.640 -0.000 0.000 0.249 57 D C 0.808 176.775 176.300 -0.554 0.000 1.070 57 D CA -0.264 53.398 54.000 -0.563 0.000 0.912 57 D CB 2.199 42.488 40.800 -0.851 0.000 1.193 57 D HN -0.051 nan 8.370 nan 0.000 0.427 58 V N 1.121 120.759 119.914 -0.460 0.000 3.350 58 V HA -0.028 4.092 4.120 -0.000 0.000 0.246 58 V C 0.060 176.068 176.094 -0.143 0.000 1.363 58 V CA -0.161 61.994 62.300 -0.242 0.000 1.162 58 V CB -0.408 31.343 31.823 -0.120 0.000 0.947 58 V HN 0.695 nan 8.190 nan 0.000 0.454 59 H N 1.219 120.189 119.070 -0.167 0.000 2.394 59 H HA -0.204 4.352 4.556 -0.000 0.000 0.322 59 H C 1.677 176.966 175.328 -0.065 0.000 1.012 59 H CA 1.099 57.069 56.048 -0.130 0.000 1.084 59 H CB -1.384 28.367 29.762 -0.019 0.000 1.597 59 H HN 0.749 nan 8.280 nan 0.000 0.375 60 G N 1.306 110.138 108.800 0.053 0.000 2.219 60 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.271 60 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.271 60 G C 0.661 175.692 174.900 0.218 0.000 0.991 60 G CA 0.782 45.950 45.100 0.114 0.000 0.685 60 G HN 0.669 nan 8.290 nan 0.000 0.531 61 Q N -0.433 119.476 119.800 0.183 0.000 3.223 61 Q HA 0.345 4.685 4.340 -0.000 0.000 0.299 61 Q C 1.340 177.496 176.000 0.260 0.000 1.385 61 Q CA -0.481 55.514 55.803 0.319 0.000 0.942 61 Q CB -0.215 28.698 28.738 0.292 0.000 1.748 61 Q HN 0.521 nan 8.270 nan 0.000 0.523 62 F N 1.619 121.634 119.950 0.107 0.000 2.039 62 F HA -0.395 4.132 4.527 -0.000 0.000 0.296 62 F C 1.889 177.730 175.800 0.069 0.000 1.119 62 F CA 2.328 60.336 58.000 0.013 0.000 1.211 62 F CB -0.125 38.804 39.000 -0.119 0.000 0.956 62 F HN 0.554 nan 8.300 nan 0.000 0.496 63 H N -1.164 117.951 119.070 0.074 0.000 2.390 63 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 63 H C 1.535 176.791 175.328 -0.120 0.000 1.106 63 H CA 0.921 56.941 56.048 -0.046 0.000 1.297 63 H CB -0.229 29.535 29.762 0.002 0.000 1.375 63 H HN 0.330 nan 8.280 nan 0.000 0.509 64 D N 0.495 120.952 120.400 0.095 0.000 2.347 64 D HA -0.081 4.559 4.640 -0.000 0.000 0.215 64 D C 2.073 178.291 176.300 -0.136 0.000 0.976 64 D CA 0.185 54.200 54.000 0.025 0.000 0.884 64 D CB -0.042 40.868 40.800 0.184 0.000 0.915 64 D HN 0.245 nan 8.370 nan 0.000 0.526 65 L N 0.301 121.401 121.223 -0.204 0.000 2.023 65 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 65 L C 1.898 178.496 176.870 -0.453 0.000 1.073 65 L CA 1.453 56.075 54.840 -0.364 0.000 0.745 65 L CB -0.608 41.204 42.059 -0.412 0.000 0.900 65 L HN -0.154 nan 8.230 nan 0.000 0.435 66 M N -0.196 119.177 119.600 -0.379 0.000 2.088 66 M HA -0.269 4.211 4.480 -0.000 0.000 0.256 66 M C 2.290 178.483 176.300 -0.179 0.000 1.071 66 M CA 2.104 57.297 55.300 -0.178 0.000 1.097 66 M CB -1.478 31.003 32.600 -0.199 0.000 1.315 66 M HN 0.430 nan 8.290 nan 0.000 0.406 67 E N 0.820 120.859 120.200 -0.267 0.000 2.086 67 E HA -0.218 4.132 4.350 -0.000 0.000 0.200 67 E C 2.045 178.307 176.600 -0.562 0.000 1.012 67 E CA 1.664 57.848 56.400 -0.360 0.000 0.812 67 E CB -0.553 28.907 29.700 -0.400 0.000 0.743 67 E HN 0.511 nan 8.360 nan 0.000 0.453 68 L N -0.573 120.185 121.223 -0.774 0.000 1.978 68 L HA -0.242 4.098 4.340 -0.000 0.000 0.218 68 L C 2.143 178.828 176.870 -0.308 0.000 1.075 68 L CA 1.974 56.376 54.840 -0.730 0.000 0.767 68 L CB -0.435 41.321 42.059 -0.506 0.000 0.890 68 L HN 0.180 nan 8.230 nan 0.000 0.434 69 F N 0.554 120.404 119.950 -0.167 0.000 2.192 69 F HA -0.189 4.337 4.527 -0.000 0.000 0.301 69 F C 2.677 178.444 175.800 -0.055 0.000 1.079 69 F CA 1.308 59.271 58.000 -0.062 0.000 1.303 69 F CB -0.648 38.290 39.000 -0.104 0.000 1.024 69 F HN 0.110 nan 8.300 nan 0.000 0.494 70 R N -0.790 119.743 120.500 0.055 0.000 2.280 70 R HA -0.054 4.286 4.340 -0.000 0.000 0.207 70 R C 1.731 178.031 176.300 -0.000 0.000 1.043 70 R CA 0.703 56.808 56.100 0.009 0.000 1.006 70 R CB -0.282 29.991 30.300 -0.046 0.000 0.885 70 R HN 0.292 nan 8.270 nan 0.000 0.467 71 I N -0.710 119.850 120.570 -0.017 0.000 2.594 71 I HA 0.006 4.176 4.170 -0.000 0.000 0.237 71 I C 2.233 178.389 176.117 0.065 0.000 1.071 71 I CA 1.264 62.572 61.300 0.014 0.000 1.427 71 I CB -0.648 37.358 38.000 0.011 0.000 1.218 71 I HN 0.060 nan 8.210 nan 0.000 0.444 72 G N -0.283 108.589 108.800 0.120 0.000 2.848 72 G HA2 0.399 4.359 3.960 -0.000 0.000 0.208 72 G HA3 0.399 4.359 3.960 -0.000 0.000 0.208 72 G C 0.778 175.735 174.900 0.096 0.000 1.152 72 G CA 0.569 45.734 45.100 0.108 0.000 0.789 72 G HN 0.788 nan 8.290 nan 0.000 0.531 73 G N -0.207 108.682 108.800 0.148 0.000 2.631 73 G HA2 0.011 3.971 3.960 -0.000 0.000 0.504 73 G HA3 0.011 3.971 3.960 -0.000 0.000 0.504 73 G C -0.386 174.649 174.900 0.224 0.000 1.306 73 G CA -0.300 44.863 45.100 0.105 0.000 0.897 73 G HN 0.895 nan 8.290 nan 0.000 0.520 74 K N -1.270 119.183 120.400 0.089 0.000 2.400 74 K HA 0.825 5.145 4.320 -0.000 0.000 0.246 74 K C -0.289 176.282 176.600 -0.049 0.000 0.995 74 K CA -0.774 55.510 56.287 -0.006 0.000 0.840 74 K CB 2.092 34.504 32.500 -0.146 0.000 1.293 74 K HN 0.519 nan 8.250 nan 0.000 0.445 75 S N 1.608 117.211 115.700 -0.162 0.000 2.586 75 S HA 0.231 4.701 4.470 -0.000 0.000 0.274 75 S C -1.509 172.798 174.600 -0.490 0.000 1.281 75 S CA -1.402 56.664 58.200 -0.224 0.000 1.035 75 S CB 0.893 63.998 63.200 -0.159 0.000 0.962 75 S HN 0.634 nan 8.310 nan 0.000 0.512 76 P HA 0.065 nan 4.420 nan 0.000 0.245 76 P C 0.245 177.404 177.300 -0.234 0.000 1.206 76 P CA 0.287 63.056 63.100 -0.552 0.000 0.781 76 P CB 0.158 31.381 31.700 -0.795 0.000 0.994 77 D N 0.513 120.792 120.400 -0.200 0.000 2.191 77 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 77 D C 1.004 177.242 176.300 -0.103 0.000 1.003 77 D CA 1.496 55.425 54.000 -0.118 0.000 0.867 77 D CB -0.389 40.353 40.800 -0.096 0.000 0.926 77 D HN 0.275 nan 8.370 nan 0.000 0.450 78 T N 0.165 114.654 114.554 -0.107 0.000 2.841 78 T HA 0.255 4.605 4.350 -0.000 0.000 0.283 78 T C -0.534 174.029 174.700 -0.228 0.000 1.000 78 T CA -1.007 60.985 62.100 -0.179 0.000 0.977 78 T CB 0.946 69.671 68.868 -0.239 0.000 0.979 78 T HN -0.224 nan 8.240 nan 0.000 0.446 79 N N 3.437 121.996 118.700 -0.234 0.000 2.513 79 N HA 0.333 5.073 4.740 -0.000 0.000 0.268 79 N C -1.117 174.200 175.510 -0.322 0.000 1.180 79 N CA 0.180 53.133 53.050 -0.161 0.000 0.948 79 N CB 0.312 38.741 38.487 -0.096 0.000 1.083 79 N HN 0.574 nan 8.380 nan 0.000 0.455 80 Y N 0.176 120.470 120.300 -0.010 0.000 2.633 80 Y HA 0.635 5.185 4.550 -0.000 0.000 0.339 80 Y C -0.202 175.642 175.900 -0.093 0.000 1.045 80 Y CA -1.046 56.996 58.100 -0.096 0.000 1.098 80 Y CB 1.847 40.272 38.460 -0.058 0.000 1.296 80 Y HN 0.331 nan 8.280 nan 0.000 0.494 81 L N 1.938 123.140 121.223 -0.036 0.000 2.661 81 L HA 0.550 4.890 4.340 -0.000 0.000 0.263 81 L C -2.296 174.474 176.870 -0.166 0.000 0.956 81 L CA -0.191 54.642 54.840 -0.012 0.000 0.918 81 L CB 0.605 42.662 42.059 -0.004 0.000 1.280 81 L HN 0.460 nan 8.230 nan 0.000 0.416 82 F N 4.638 124.650 119.950 0.103 0.000 2.432 82 F HA 0.594 5.121 4.527 -0.000 0.000 0.329 82 F C 0.524 176.378 175.800 0.090 0.000 1.076 82 F CA -0.585 57.476 58.000 0.102 0.000 1.018 82 F CB 1.985 41.079 39.000 0.157 0.000 1.201 82 F HN 0.319 nan 8.300 nan 0.000 0.489 83 M N 2.981 122.703 119.600 0.204 0.000 2.808 83 M HA 0.389 4.869 4.480 -0.000 0.000 0.225 83 M C 0.373 176.609 176.300 -0.107 0.000 1.103 83 M CA -0.338 54.997 55.300 0.059 0.000 0.982 83 M CB 0.431 33.051 32.600 0.032 0.000 1.314 83 M HN 0.880 nan 8.290 nan 0.000 0.505 84 G N 0.973 109.544 108.800 -0.382 0.000 2.601 84 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 84 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 84 G C -0.405 173.665 174.900 -1.383 0.000 1.294 84 G CA -0.221 44.233 45.100 -1.077 0.000 0.912 84 G HN 0.731 nan 8.290 nan 0.000 0.574 85 D N -1.622 118.034 120.400 -1.239 0.000 2.890 85 D HA -0.137 4.503 4.640 -0.000 0.000 0.226 85 D C 0.741 176.473 176.300 -0.946 0.000 1.207 85 D CA 1.602 55.001 54.000 -1.002 0.000 0.764 85 D CB -0.864 39.342 40.800 -0.989 0.000 0.948 85 D HN 0.608 nan 8.370 nan 0.000 0.404 86 Y N -1.086 118.915 120.300 -0.498 0.000 2.343 86 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 86 Y C 1.826 177.523 175.900 -0.339 0.000 1.122 86 Y CA 0.480 58.334 58.100 -0.410 0.000 1.173 86 Y CB -0.338 37.897 38.460 -0.375 0.000 1.077 86 Y HN 0.255 nan 8.280 nan 0.000 0.542 87 V N -2.663 117.119 119.914 -0.220 0.000 3.553 87 V HA 0.396 4.516 4.120 -0.000 0.000 0.287 87 V C -0.026 176.044 176.094 -0.040 0.000 1.111 87 V CA -1.396 60.770 62.300 -0.223 0.000 0.950 87 V CB 0.632 32.116 31.823 -0.566 0.000 1.243 87 V HN 0.311 nan 8.190 nan 0.000 0.443 88 D N -0.764 119.662 120.400 0.044 0.000 10.847 88 D HA -0.143 4.497 4.640 -0.000 0.000 0.350 88 D C 0.767 177.043 176.300 -0.040 0.000 3.129 88 D CA 0.907 54.949 54.000 0.071 0.000 2.659 88 D CB -0.044 40.748 40.800 -0.014 0.000 1.194 88 D HN 0.924 nan 8.370 nan 0.000 0.939 89 R N -1.313 119.156 120.500 -0.050 0.000 1.195 89 R HA -0.211 4.129 4.340 -0.000 0.000 0.014 89 R C 1.189 177.401 176.300 -0.146 0.000 0.961 89 R CA 2.167 58.167 56.100 -0.167 0.000 1.984 89 R CB -2.244 27.833 30.300 -0.372 0.000 0.125 89 R HN 0.762 nan 8.270 nan 0.000 0.732 90 G N -0.213 108.494 108.800 -0.155 0.000 2.825 90 G HA2 0.022 3.982 3.960 -0.000 0.000 0.241 90 G HA3 0.022 3.982 3.960 -0.000 0.000 0.241 90 G C 0.397 175.358 174.900 0.101 0.000 1.239 90 G CA 0.622 45.624 45.100 -0.163 0.000 0.859 90 G HN 0.497 nan 8.290 nan 0.000 0.598 91 Y N -0.687 119.717 120.300 0.172 0.000 2.510 91 Y HA 0.241 4.791 4.550 -0.000 0.000 0.273 91 Y C 0.713 176.535 175.900 -0.131 0.000 1.119 91 Y CA 0.353 58.484 58.100 0.052 0.000 1.286 91 Y CB 0.413 38.908 38.460 0.059 0.000 1.061 91 Y HN 0.408 nan 8.280 nan 0.000 0.542 92 Y N -0.622 119.729 120.300 0.085 0.000 2.617 92 Y HA 0.306 4.856 4.550 -0.000 0.000 0.328 92 Y C 1.649 177.571 175.900 0.037 0.000 0.946 92 Y CA -0.625 57.460 58.100 -0.025 0.000 1.241 92 Y CB -0.023 38.435 38.460 -0.002 0.000 1.226 92 Y HN -0.094 nan 8.280 nan 0.000 0.582 93 S N -0.102 115.686 115.700 0.147 0.000 2.414 93 S HA -0.239 4.230 4.470 -0.000 0.000 0.225 93 S C 2.185 176.852 174.600 0.111 0.000 1.041 93 S CA 2.015 60.282 58.200 0.112 0.000 1.114 93 S CB -0.568 62.727 63.200 0.158 0.000 1.064 93 S HN 0.365 nan 8.310 nan 0.000 0.420 94 V N 1.998 122.055 119.914 0.237 0.000 2.248 94 V HA -0.371 3.749 4.120 -0.000 0.000 0.254 94 V C 2.311 178.500 176.094 0.159 0.000 1.050 94 V CA 2.570 65.040 62.300 0.285 0.000 1.063 94 V CB -1.343 30.643 31.823 0.272 0.000 0.688 94 V HN 0.432 nan 8.190 nan 0.000 0.474 95 E N 0.026 120.295 120.200 0.115 0.000 2.132 95 E HA -0.273 4.077 4.350 -0.000 0.000 0.218 95 E C 2.181 178.877 176.600 0.160 0.000 1.058 95 E CA 2.477 58.910 56.400 0.056 0.000 0.882 95 E CB -0.992 28.610 29.700 -0.163 0.000 0.774 95 E HN 0.710 nan 8.360 nan 0.000 0.467 96 T N 0.183 114.885 114.554 0.248 0.000 2.580 96 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 96 T C 1.914 176.610 174.700 -0.006 0.000 1.063 96 T CA 1.680 63.916 62.100 0.227 0.000 1.170 96 T CB -0.712 68.248 68.868 0.153 0.000 0.863 96 T HN 0.117 nan 8.240 nan 0.000 0.418 97 V N 1.135 120.976 119.914 -0.123 0.000 2.255 97 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 97 V C 2.510 178.503 176.094 -0.169 0.000 1.051 97 V CA 2.757 64.890 62.300 -0.279 0.000 1.018 97 V CB -1.211 30.320 31.823 -0.487 0.000 0.641 97 V HN 0.669 nan 8.190 nan 0.000 0.445 98 T N 1.159 115.702 114.554 -0.018 0.000 2.680 98 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 98 T C 1.698 176.470 174.700 0.119 0.000 1.033 98 T CA 2.206 64.459 62.100 0.256 0.000 1.152 98 T CB -0.557 68.455 68.868 0.240 0.000 0.859 98 T HN 0.415 nan 8.240 nan 0.000 0.452 99 L N 1.055 122.324 121.223 0.077 0.000 1.948 99 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 99 L C 2.311 179.180 176.870 -0.002 0.000 1.074 99 L CA 1.559 56.443 54.840 0.074 0.000 0.753 99 L CB -1.302 40.849 42.059 0.154 0.000 0.888 99 L HN 0.250 nan 8.230 nan 0.000 0.432 100 L N -0.983 120.168 121.223 -0.120 0.000 2.064 100 L HA -0.305 4.035 4.340 -0.000 0.000 0.216 100 L C 2.424 179.207 176.870 -0.145 0.000 1.077 100 L CA 1.624 56.309 54.840 -0.258 0.000 0.766 100 L CB -0.695 40.992 42.059 -0.620 0.000 0.890 100 L HN 0.234 nan 8.230 nan 0.000 0.435 101 V N -0.392 119.475 119.914 -0.077 0.000 2.295 101 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 101 V C 2.739 178.872 176.094 0.066 0.000 1.049 101 V CA 1.723 64.042 62.300 0.031 0.000 1.024 101 V CB -1.068 30.850 31.823 0.157 0.000 0.648 101 V HN 0.511 nan 8.190 nan 0.000 0.447 102 A N 0.092 122.958 122.820 0.077 0.000 1.892 102 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 102 A C 2.237 179.873 177.584 0.087 0.000 1.188 102 A CA 2.255 54.353 52.037 0.103 0.000 0.631 102 A CB -0.704 18.368 19.000 0.120 0.000 0.822 102 A HN 0.509 nan 8.150 nan 0.000 0.447 103 L N -0.949 120.326 121.223 0.087 0.000 2.079 103 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 103 L C 2.583 179.538 176.870 0.141 0.000 1.081 103 L CA 1.924 56.849 54.840 0.142 0.000 0.752 103 L CB -0.325 41.803 42.059 0.115 0.000 0.896 103 L HN 0.398 nan 8.230 nan 0.000 0.433 104 K N 0.018 120.474 120.400 0.093 0.000 2.057 104 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 104 K C 1.780 178.422 176.600 0.070 0.000 1.050 104 K CA 1.381 57.725 56.287 0.095 0.000 0.935 104 K CB -0.336 32.211 32.500 0.079 0.000 0.715 104 K HN 0.082 nan 8.250 nan 0.000 0.439 105 V N 0.985 120.932 119.914 0.055 0.000 2.594 105 V HA -0.151 3.969 4.120 -0.000 0.000 0.253 105 V C 2.333 178.402 176.094 -0.043 0.000 1.069 105 V CA 1.813 64.132 62.300 0.032 0.000 1.082 105 V CB -0.626 31.234 31.823 0.063 0.000 0.680 105 V HN 0.290 nan 8.190 nan 0.000 0.469 106 R N 0.297 120.745 120.500 -0.086 0.000 1.963 106 R HA 0.065 4.405 4.340 -0.000 0.000 0.193 106 R C 0.933 177.067 176.300 -0.276 0.000 1.437 106 R CA 0.672 56.605 56.100 -0.278 0.000 1.176 106 R CB -0.964 29.083 30.300 -0.421 0.000 0.864 106 R HN 0.364 nan 8.270 nan 0.000 0.495 107 Y N 2.547 122.850 120.300 0.005 0.000 3.168 107 Y HA 0.090 4.640 4.550 -0.000 0.000 0.373 107 Y C 1.598 177.521 175.900 0.038 0.000 1.073 107 Y CA 0.413 58.525 58.100 0.020 0.000 2.070 107 Y CB -0.793 37.683 38.460 0.027 0.000 2.252 107 Y HN 0.298 nan 8.280 nan 0.000 0.404 108 R N 1.423 121.976 120.500 0.087 0.000 2.208 108 R HA -0.275 4.065 4.340 -0.000 0.000 0.262 108 R C 0.459 176.821 176.300 0.104 0.000 1.166 108 R CA 2.375 58.524 56.100 0.081 0.000 0.987 108 R CB 0.045 30.371 30.300 0.043 0.000 0.887 108 R HN 0.591 nan 8.270 nan 0.000 0.459 109 E N -1.099 119.169 120.200 0.112 0.000 2.651 109 E HA 0.102 4.452 4.350 -0.000 0.000 0.208 109 E C 0.686 177.352 176.600 0.110 0.000 0.997 109 E CA -0.300 56.160 56.400 0.100 0.000 1.020 109 E CB 0.809 30.554 29.700 0.075 0.000 1.052 109 E HN 0.207 nan 8.360 nan 0.000 0.465 110 R N 0.520 121.110 120.500 0.149 0.000 2.335 110 R HA 0.280 4.620 4.340 -0.000 0.000 0.210 110 R C 0.958 177.360 176.300 0.170 0.000 0.892 110 R CA 0.316 56.496 56.100 0.133 0.000 1.048 110 R CB 0.709 31.086 30.300 0.128 0.000 1.067 110 R HN 0.230 nan 8.270 nan 0.000 0.524 111 I N -2.525 118.167 120.570 0.204 0.000 2.769 111 I HA 0.516 4.686 4.170 -0.000 0.000 0.298 111 I C -1.190 175.059 176.117 0.221 0.000 1.128 111 I CA -0.720 60.739 61.300 0.266 0.000 1.031 111 I CB 2.867 41.065 38.000 0.330 0.000 1.235 111 I HN -0.303 nan 8.210 nan 0.000 0.423 112 T N 6.634 121.334 114.554 0.244 0.000 2.890 112 T HA 0.591 4.941 4.350 -0.000 0.000 0.295 112 T C -0.374 174.485 174.700 0.266 0.000 0.993 112 T CA -0.409 61.811 62.100 0.200 0.000 0.979 112 T CB 1.118 70.068 68.868 0.137 0.000 0.967 112 T HN 0.606 nan 8.240 nan 0.000 0.441 113 I N 1.833 122.542 120.570 0.232 0.000 2.441 113 I HA 0.709 4.879 4.170 -0.000 0.000 0.295 113 I C -0.873 175.388 176.117 0.241 0.000 0.994 113 I CA -1.124 60.338 61.300 0.271 0.000 1.144 113 I CB 1.321 39.387 38.000 0.111 0.000 1.314 113 I HN 0.358 nan 8.210 nan 0.000 0.445 114 L N 4.287 125.668 121.223 0.263 0.000 2.303 114 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 114 L C 0.080 176.964 176.870 0.023 0.000 1.011 114 L CA -0.952 53.958 54.840 0.118 0.000 0.818 114 L CB 2.048 44.133 42.059 0.043 0.000 1.326 114 L HN 0.684 nan 8.230 nan 0.000 0.435 115 R N -0.073 120.394 120.500 -0.056 0.000 2.441 115 R HA 0.533 4.873 4.340 -0.000 0.000 0.284 115 R C -0.261 175.820 176.300 -0.365 0.000 1.070 115 R CA -0.083 55.899 56.100 -0.197 0.000 1.047 115 R CB 1.226 31.465 30.300 -0.102 0.000 1.016 115 R HN 0.818 nan 8.270 nan 0.000 0.477 116 G N 1.325 109.756 108.800 -0.614 0.000 2.644 116 G HA2 0.064 4.024 3.960 -0.000 0.000 0.307 116 G HA3 0.064 4.024 3.960 -0.000 0.000 0.307 116 G C 0.261 174.719 174.900 -0.736 0.000 1.250 116 G CA -0.784 43.762 45.100 -0.922 0.000 0.996 116 G HN 0.820 nan 8.290 nan 0.000 0.489 117 N N -0.564 117.598 118.700 -0.898 0.000 2.503 117 N HA -0.182 4.558 4.740 -0.000 0.000 0.189 117 N C 0.854 176.110 175.510 -0.424 0.000 1.048 117 N CA 1.280 53.865 53.050 -0.776 0.000 0.905 117 N CB -0.216 37.338 38.487 -1.556 0.000 0.951 117 N HN 0.618 nan 8.380 nan 0.000 0.446 118 H N -0.394 118.444 119.070 -0.386 0.000 2.648 118 H HA 0.178 4.734 4.556 -0.000 0.000 0.265 118 H C 0.186 175.356 175.328 -0.264 0.000 0.961 118 H CA -0.012 55.926 56.048 -0.183 0.000 1.185 118 H CB 0.613 30.292 29.762 -0.137 0.000 1.449 118 H HN 0.195 nan 8.280 nan 0.000 0.523 119 E N 1.649 121.601 120.200 -0.413 0.000 2.705 119 E HA 0.016 4.366 4.350 -0.000 0.000 0.272 119 E C -0.242 176.303 176.600 -0.093 0.000 1.528 119 E CA -0.243 55.730 56.400 -0.713 0.000 1.750 119 E CB -0.157 28.986 29.700 -0.929 0.000 1.439 119 E HN 0.258 nan 8.360 nan 0.000 0.449 120 S N -1.610 114.138 115.700 0.081 0.000 2.557 120 S HA 0.428 4.897 4.470 -0.000 0.000 0.291 120 S C 0.852 175.611 174.600 0.264 0.000 1.116 120 S CA -1.020 57.274 58.200 0.157 0.000 0.992 120 S CB 2.015 65.281 63.200 0.110 0.000 1.028 120 S HN 0.133 nan 8.310 nan 0.000 0.484 121 R N 1.813 122.453 120.500 0.234 0.000 2.143 121 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 121 R C 2.232 178.787 176.300 0.425 0.000 1.126 121 R CA 2.331 58.632 56.100 0.334 0.000 0.927 121 R CB -0.763 29.667 30.300 0.218 0.000 0.860 121 R HN 0.879 nan 8.270 nan 0.000 0.433 122 Q N 0.485 120.438 119.800 0.255 0.000 2.096 122 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 122 Q C 2.053 178.168 176.000 0.191 0.000 0.993 122 Q CA 1.887 57.800 55.803 0.182 0.000 0.862 122 Q CB -0.077 28.722 28.738 0.102 0.000 0.915 122 Q HN 0.284 nan 8.270 nan 0.000 0.416 123 I N 0.238 120.952 120.570 0.241 0.000 2.353 123 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 123 I C 2.565 178.943 176.117 0.435 0.000 1.119 123 I CA 1.639 63.126 61.300 0.312 0.000 1.417 123 I CB -0.604 37.561 38.000 0.275 0.000 1.078 123 I HN 0.387 nan 8.210 nan 0.000 0.421 124 T N -1.633 113.233 114.554 0.521 0.000 2.759 124 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 124 T C 1.788 176.827 174.700 0.565 0.000 1.042 124 T CA 1.328 63.846 62.100 0.696 0.000 1.140 124 T CB -0.501 68.960 68.868 0.987 0.000 0.864 124 T HN 0.408 nan 8.240 nan 0.000 0.455 125 Q N 0.547 120.575 119.800 0.380 0.000 1.990 125 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 125 Q C 2.749 178.770 176.000 0.034 0.000 0.980 125 Q CA 1.617 57.441 55.803 0.034 0.000 0.832 125 Q CB -0.630 27.978 28.738 -0.216 0.000 0.897 125 Q HN 0.450 nan 8.270 nan 0.000 0.427 126 V N 0.278 120.184 119.914 -0.014 0.000 2.231 126 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 126 V C 1.815 177.782 176.094 -0.213 0.000 1.054 126 V CA 1.981 64.169 62.300 -0.186 0.000 1.015 126 V CB -0.688 30.919 31.823 -0.361 0.000 0.638 126 V HN 0.356 nan 8.190 nan 0.000 0.444 127 Y N 0.074 120.488 120.300 0.190 0.000 2.490 127 Y HA 0.413 4.963 4.550 -0.000 0.000 0.281 127 Y C 1.593 177.604 175.900 0.184 0.000 1.174 127 Y CA 0.605 58.821 58.100 0.192 0.000 1.295 127 Y CB 0.324 38.950 38.460 0.276 0.000 1.062 127 Y HN 0.374 nan 8.280 nan 0.000 0.522 128 G N -1.057 107.937 108.800 0.324 0.000 3.145 128 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.195 128 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.195 128 G C 1.036 176.148 174.900 0.355 0.000 2.278 128 G CA -0.038 45.232 45.100 0.283 0.000 1.441 128 G HN 0.089 nan 8.290 nan 0.000 0.452 129 F N 1.550 121.655 119.950 0.258 0.000 2.068 129 F HA -0.295 4.232 4.527 -0.000 0.000 0.289 129 F C 2.147 178.126 175.800 0.299 0.000 1.089 129 F CA 2.905 61.082 58.000 0.295 0.000 1.263 129 F CB -1.188 38.065 39.000 0.423 0.000 0.955 129 F HN 0.456 nan 8.300 nan 0.000 0.501 130 Y N 1.633 122.005 120.300 0.120 0.000 1.956 130 Y HA -0.363 4.187 4.550 -0.000 0.000 0.258 130 Y C 2.567 178.294 175.900 -0.289 0.000 1.152 130 Y CA 2.496 60.358 58.100 -0.397 0.000 1.093 130 Y CB -1.194 36.927 38.460 -0.565 0.000 0.945 130 Y HN 0.241 nan 8.280 nan 0.000 0.488 131 D N 0.087 120.350 120.400 -0.227 0.000 2.126 131 D HA -0.272 4.368 4.640 -0.000 0.000 0.190 131 D C 2.150 178.315 176.300 -0.225 0.000 1.001 131 D CA 1.889 55.730 54.000 -0.265 0.000 0.841 131 D CB -0.722 40.056 40.800 -0.037 0.000 0.949 131 D HN 0.686 nan 8.370 nan 0.000 0.446 132 E N 0.031 120.177 120.200 -0.091 0.000 2.114 132 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 132 E C 2.093 178.628 176.600 -0.108 0.000 1.008 132 E CA 1.446 57.801 56.400 -0.074 0.000 0.810 132 E CB -0.068 29.657 29.700 0.043 0.000 0.739 132 E HN 0.242 nan 8.360 nan 0.000 0.456 133 C N 0.058 119.265 119.300 -0.155 0.000 2.388 133 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 133 C C 2.517 177.471 174.990 -0.060 0.000 1.210 133 C CA 0.583 59.571 59.018 -0.050 0.000 1.743 133 C CB -1.084 26.565 27.740 -0.151 0.000 2.047 133 C HN 0.454 nan 8.230 nan 0.000 0.458 134 L N 0.735 121.807 121.223 -0.252 0.000 1.956 134 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 134 L C 2.578 179.373 176.870 -0.125 0.000 1.073 134 L CA 1.890 56.610 54.840 -0.200 0.000 0.762 134 L CB -1.195 40.683 42.059 -0.302 0.000 0.889 134 L HN 0.295 nan 8.230 nan 0.000 0.433 135 R N -0.551 119.862 120.500 -0.146 0.000 2.228 135 R HA -0.245 4.095 4.340 -0.000 0.000 0.259 135 R C 1.770 177.985 176.300 -0.142 0.000 1.183 135 R CA 1.857 57.882 56.100 -0.124 0.000 1.002 135 R CB -0.005 30.219 30.300 -0.128 0.000 0.879 135 R HN 0.387 nan 8.270 nan 0.000 0.467 136 K N -2.687 117.607 120.400 -0.177 0.000 2.435 136 K HA 0.060 4.380 4.320 -0.000 0.000 0.199 136 K C 0.270 176.650 176.600 -0.366 0.000 1.153 136 K CA 0.215 56.321 56.287 -0.302 0.000 0.974 136 K CB 0.734 32.969 32.500 -0.441 0.000 0.997 136 K HN 0.117 nan 8.250 nan 0.000 0.547 137 Y N -0.688 119.575 120.300 -0.061 0.000 2.527 137 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 137 Y C 1.375 177.248 175.900 -0.045 0.000 1.138 137 Y CA 0.104 58.181 58.100 -0.040 0.000 1.228 137 Y CB 1.379 39.826 38.460 -0.022 0.000 1.252 137 Y HN 0.186 nan 8.280 nan 0.000 0.531 138 G N 1.141 109.978 108.800 0.062 0.000 3.548 138 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.224 138 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.224 138 G C 0.636 175.534 174.900 -0.003 0.000 1.351 138 G CA 0.863 45.974 45.100 0.018 0.000 0.905 138 G HN 0.526 nan 8.290 nan 0.000 0.561 139 N N 0.529 119.240 118.700 0.018 0.000 2.514 139 N HA 0.691 5.431 4.740 -0.000 0.000 0.299 139 N C 0.088 175.566 175.510 -0.052 0.000 1.292 139 N CA 0.411 53.452 53.050 -0.015 0.000 0.963 139 N CB 0.759 39.246 38.487 -0.000 0.000 1.124 139 N HN 1.342 nan 8.380 nan 0.000 0.580 140 A N -0.961 121.827 122.820 -0.053 0.000 3.258 140 A HA 0.395 4.715 4.320 -0.000 0.000 0.318 140 A C -0.299 177.289 177.584 0.005 0.000 0.990 140 A CA -0.750 51.252 52.037 -0.058 0.000 0.885 140 A CB -0.848 18.116 19.000 -0.061 0.000 1.090 140 A HN 0.634 nan 8.150 nan 0.000 0.479 141 N N -0.552 118.110 118.700 -0.064 0.000 2.516 141 N HA -0.011 4.729 4.740 -0.000 0.000 0.197 141 N C 1.455 176.792 175.510 -0.289 0.000 1.064 141 N CA 0.932 53.813 53.050 -0.280 0.000 0.866 141 N CB 0.576 38.946 38.487 -0.194 0.000 1.255 141 N HN 0.290 nan 8.380 nan 0.000 0.447 142 V N 0.531 120.434 119.914 -0.019 0.000 2.867 142 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 142 V C 1.892 178.053 176.094 0.112 0.000 1.099 142 V CA 1.130 63.451 62.300 0.036 0.000 1.122 142 V CB -0.561 31.072 31.823 -0.318 0.000 0.708 142 V HN 0.384 nan 8.190 nan 0.000 0.490 143 W N 1.433 122.657 121.300 -0.127 0.000 2.444 143 W HA -0.086 4.574 4.660 -0.000 0.000 0.308 143 W C 2.542 179.039 176.519 -0.036 0.000 1.183 143 W CA 1.842 59.111 57.345 -0.126 0.000 1.340 143 W CB -0.148 29.233 29.460 -0.131 0.000 1.138 143 W HN 0.098 nan 8.180 nan 0.000 0.510 144 K N -0.519 119.863 120.400 -0.029 0.000 1.978 144 K HA -0.304 4.016 4.320 -0.000 0.000 0.214 144 K C 2.067 178.502 176.600 -0.275 0.000 1.049 144 K CA 2.480 58.608 56.287 -0.266 0.000 0.939 144 K CB -1.324 31.028 32.500 -0.247 0.000 0.721 144 K HN 0.280 nan 8.250 nan 0.000 0.441 145 Y N -0.539 119.666 120.300 -0.159 0.000 2.073 145 Y HA -0.323 4.227 4.550 -0.000 0.000 0.270 145 Y C 2.320 178.062 175.900 -0.263 0.000 1.226 145 Y CA 1.508 59.469 58.100 -0.230 0.000 1.117 145 Y CB -0.445 37.813 38.460 -0.336 0.000 0.939 145 Y HN 0.138 nan 8.280 nan 0.000 0.504 146 F N -0.188 119.684 119.950 -0.130 0.000 2.234 146 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 146 F C 2.706 178.034 175.800 -0.787 0.000 1.089 146 F CA 1.502 59.275 58.000 -0.378 0.000 1.343 146 F CB -1.190 37.686 39.000 -0.207 0.000 1.040 146 F HN 0.103 nan 8.300 nan 0.000 0.498 147 T N -2.962 111.307 114.554 -0.475 0.000 2.929 147 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 147 T C 1.391 175.966 174.700 -0.209 0.000 1.085 147 T CA 1.537 63.360 62.100 -0.461 0.000 1.125 147 T CB -0.336 68.052 68.868 -0.799 0.000 0.874 147 T HN 0.138 nan 8.240 nan 0.000 0.494 148 D N 0.882 121.183 120.400 -0.165 0.000 2.213 148 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 148 D C 2.002 178.360 176.300 0.097 0.000 0.961 148 D CA 0.343 54.324 54.000 -0.032 0.000 0.853 148 D CB -0.302 40.505 40.800 0.013 0.000 0.967 148 D HN 0.316 nan 8.370 nan 0.000 0.496 149 L N 0.567 121.854 121.223 0.106 0.000 2.046 149 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 149 L C 1.951 179.033 176.870 0.354 0.000 1.077 149 L CA 1.379 56.381 54.840 0.270 0.000 0.747 149 L CB -0.658 41.518 42.059 0.195 0.000 0.896 149 L HN -0.191 nan 8.230 nan 0.000 0.432 150 F N 0.644 120.700 119.950 0.177 0.000 2.147 150 F HA -0.277 4.250 4.527 -0.000 0.000 0.301 150 F C 2.349 178.175 175.800 0.043 0.000 1.084 150 F CA 1.402 59.467 58.000 0.108 0.000 1.268 150 F CB -1.368 37.669 39.000 0.062 0.000 1.009 150 F HN 0.281 nan 8.300 nan 0.000 0.486 151 D N -1.404 119.079 120.400 0.138 0.000 2.218 151 D HA -0.196 4.444 4.640 -0.000 0.000 0.204 151 D C 1.852 178.072 176.300 -0.133 0.000 0.976 151 D CA 1.192 55.139 54.000 -0.087 0.000 0.853 151 D CB -0.523 40.096 40.800 -0.301 0.000 0.939 151 D HN 0.375 nan 8.370 nan 0.000 0.481 152 Y N 0.378 120.756 120.300 0.129 0.000 2.490 152 Y HA 0.171 4.721 4.550 -0.000 0.000 0.281 152 Y C 1.030 176.999 175.900 0.115 0.000 1.174 152 Y CA -0.328 57.837 58.100 0.108 0.000 1.295 152 Y CB -0.011 38.508 38.460 0.097 0.000 1.062 152 Y HN -0.186 nan 8.280 nan 0.000 0.522 153 L N 4.584 125.956 121.223 0.247 0.000 2.462 153 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 153 L C -1.977 174.973 176.870 0.133 0.000 1.166 153 L CA -1.938 53.018 54.840 0.194 0.000 0.880 153 L CB 0.395 42.561 42.059 0.178 0.000 1.142 153 L HN -0.098 nan 8.230 nan 0.000 0.473 154 P HA -0.005 nan 4.420 nan 0.000 0.269 154 P C 0.499 177.838 177.300 0.066 0.000 1.209 154 P CA -0.061 63.098 63.100 0.099 0.000 0.776 154 P CB 0.917 32.677 31.700 0.100 0.000 0.876 155 L N 0.666 121.925 121.223 0.059 0.000 2.209 155 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 155 L C 1.481 178.348 176.870 -0.005 0.000 1.094 155 L CA 1.059 55.919 54.840 0.032 0.000 0.790 155 L CB -0.732 41.363 42.059 0.060 0.000 0.932 155 L HN 0.519 nan 8.230 nan 0.000 0.447 156 T N -2.776 111.777 114.554 -0.001 0.000 2.812 156 T HA 0.796 5.146 4.350 -0.000 0.000 0.294 156 T C -1.006 173.655 174.700 -0.064 0.000 1.159 156 T CA -0.498 61.532 62.100 -0.116 0.000 1.008 156 T CB 2.695 71.427 68.868 -0.227 0.000 1.289 156 T HN 0.034 nan 8.240 nan 0.000 0.514 157 A N 0.589 123.319 122.820 -0.149 0.000 2.455 157 A HA 0.786 5.106 4.320 -0.000 0.000 0.300 157 A C -1.694 175.905 177.584 0.026 0.000 1.040 157 A CA -0.746 51.274 52.037 -0.029 0.000 0.697 157 A CB 1.686 20.673 19.000 -0.021 0.000 1.265 157 A HN 0.908 nan 8.150 nan 0.000 0.407 158 L N 3.040 124.324 121.223 0.101 0.000 2.345 158 L HA 0.554 4.894 4.340 -0.000 0.000 0.274 158 L C -0.652 176.273 176.870 0.092 0.000 0.999 158 L CA -0.361 54.566 54.840 0.145 0.000 0.849 158 L CB 1.685 43.850 42.059 0.176 0.000 1.220 158 L HN 0.547 nan 8.230 nan 0.000 0.422 159 V N 2.073 122.034 119.914 0.080 0.000 2.389 159 V HA 0.330 4.450 4.120 -0.000 0.000 0.264 159 V C 0.393 176.520 176.094 0.056 0.000 1.049 159 V CA -0.623 61.710 62.300 0.054 0.000 0.932 159 V CB 0.459 32.305 31.823 0.039 0.000 1.011 159 V HN 0.856 nan 8.190 nan 0.000 0.475 160 D N 4.148 124.576 120.400 0.046 0.000 2.708 160 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 160 D C 1.544 177.870 176.300 0.043 0.000 1.146 160 D CA 1.776 55.799 54.000 0.039 0.000 0.662 160 D CB -1.086 39.734 40.800 0.034 0.000 1.059 160 D HN 1.473 nan 8.370 nan 0.000 0.428 161 G N -0.803 108.028 108.800 0.052 0.000 2.317 161 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.265 161 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.265 161 G C 1.024 175.953 174.900 0.049 0.000 0.983 161 G CA 1.158 46.287 45.100 0.048 0.000 0.641 161 G HN 0.555 nan 8.290 nan 0.000 0.556 162 Q N -0.804 119.030 119.800 0.056 0.000 2.204 162 Q HA 0.331 4.671 4.340 -0.000 0.000 0.198 162 Q C 0.974 177.028 176.000 0.089 0.000 0.946 162 Q CA 0.590 56.429 55.803 0.060 0.000 0.859 162 Q CB 0.382 29.155 28.738 0.058 0.000 0.946 162 Q HN 0.641 nan 8.270 nan 0.000 0.474 163 I N 0.757 121.392 120.570 0.108 0.000 2.406 163 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 163 I C -0.877 175.369 176.117 0.215 0.000 0.999 163 I CA -0.895 60.489 61.300 0.140 0.000 1.124 163 I CB 1.328 39.381 38.000 0.089 0.000 1.289 163 I HN -0.074 nan 8.210 nan 0.000 0.441 164 F N 6.209 126.201 119.950 0.070 0.000 2.394 164 F HA 0.501 5.028 4.527 -0.000 0.000 0.340 164 F C -0.301 175.551 175.800 0.087 0.000 1.105 164 F CA -0.722 57.336 58.000 0.098 0.000 1.124 164 F CB 0.845 39.943 39.000 0.162 0.000 1.145 164 F HN 0.379 nan 8.300 nan 0.000 0.505 165 C N 7.325 126.356 119.300 -0.447 0.000 2.482 165 C HA 0.827 5.287 4.460 -0.000 0.000 0.317 165 C C -0.683 173.999 174.990 -0.514 0.000 1.197 165 C CA -1.083 57.720 59.018 -0.358 0.000 1.432 165 C CB 0.498 28.144 27.740 -0.157 0.000 2.062 165 C HN 0.880 nan 8.230 nan 0.000 0.471 166 L N 1.069 122.107 121.223 -0.309 0.000 2.612 166 L HA 0.498 4.838 4.340 -0.000 0.000 0.256 166 L C 0.586 177.402 176.870 -0.090 0.000 0.949 166 L CA -0.626 54.087 54.840 -0.212 0.000 0.867 166 L CB 1.036 42.956 42.059 -0.232 0.000 1.417 166 L HN 0.709 nan 8.230 nan 0.000 0.414 167 H N 2.298 121.265 119.070 -0.173 0.000 2.253 167 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 167 H C 1.395 176.622 175.328 -0.168 0.000 1.067 167 H CA 2.932 58.859 56.048 -0.202 0.000 1.245 167 H CB -0.046 29.517 29.762 -0.331 0.000 1.364 167 H HN 0.871 nan 8.280 nan 0.000 0.494 168 G N -1.540 107.076 108.800 -0.307 0.000 2.670 168 G HA2 0.391 4.351 3.960 -0.000 0.000 0.215 168 G HA3 0.391 4.351 3.960 -0.000 0.000 0.215 168 G C 0.559 175.465 174.900 0.011 0.000 1.359 168 G CA 0.534 45.462 45.100 -0.286 0.000 0.897 168 G HN 0.860 nan 8.290 nan 0.000 0.552 169 G N -1.596 107.293 108.800 0.148 0.000 2.450 169 G HA2 0.425 4.385 3.960 -0.000 0.000 0.273 169 G HA3 0.425 4.385 3.960 -0.000 0.000 0.273 169 G C -1.312 173.838 174.900 0.418 0.000 1.221 169 G CA -0.832 44.520 45.100 0.420 0.000 0.900 169 G HN 0.449 nan 8.290 nan 0.000 0.483 170 L N 0.913 122.485 121.223 0.582 0.000 2.417 170 L HA 0.599 4.939 4.340 -0.000 0.000 0.268 170 L C 0.634 177.881 176.870 0.628 0.000 1.158 170 L CA -0.305 54.684 54.840 0.247 0.000 0.819 170 L CB 1.458 43.350 42.059 -0.278 0.000 1.112 170 L HN 0.449 nan 8.230 nan 0.000 0.458 171 S N 1.565 117.519 115.700 0.424 0.000 2.521 171 S HA 0.490 4.960 4.470 -0.000 0.000 0.295 171 S C -2.040 172.558 174.600 -0.004 0.000 1.098 171 S CA -1.507 56.839 58.200 0.243 0.000 0.999 171 S CB 1.894 65.181 63.200 0.146 0.000 1.034 171 S HN 0.289 nan 8.310 nan 0.000 0.483 172 P HA -0.071 nan 4.420 nan 0.000 0.213 172 P C 1.298 178.469 177.300 -0.216 0.000 1.170 172 P CA 1.137 63.804 63.100 -0.722 0.000 0.902 172 P CB 0.063 31.081 31.700 -1.136 0.000 0.789 173 S N -1.286 114.317 115.700 -0.162 0.000 2.571 173 S HA -0.045 4.425 4.470 -0.000 0.000 0.245 173 S C 0.779 175.330 174.600 -0.082 0.000 0.976 173 S CA 0.704 58.848 58.200 -0.094 0.000 0.954 173 S CB -1.020 62.157 63.200 -0.038 0.000 0.756 173 S HN 0.038 nan 8.310 nan 0.000 0.535 174 I N 0.763 121.329 120.570 -0.006 0.000 2.439 174 I HA 0.271 4.441 4.170 -0.000 0.000 0.283 174 I C -0.129 176.101 176.117 0.190 0.000 1.023 174 I CA -0.428 60.915 61.300 0.072 0.000 1.100 174 I CB 1.889 40.007 38.000 0.197 0.000 1.238 174 I HN -0.068 nan 8.210 nan 0.000 0.445 175 D N 2.597 123.052 120.400 0.092 0.000 2.431 175 D HA 0.040 4.680 4.640 -0.000 0.000 0.235 175 D C 1.037 177.515 176.300 0.297 0.000 0.980 175 D CA 1.122 55.272 54.000 0.250 0.000 0.912 175 D CB 0.764 41.643 40.800 0.132 0.000 1.056 175 D HN 0.595 nan 8.370 nan 0.000 0.494 176 T N -2.264 112.511 114.554 0.369 0.000 2.905 176 T HA 0.452 4.801 4.350 -0.000 0.000 0.283 176 T C 1.350 176.111 174.700 0.101 0.000 1.031 176 T CA -0.694 61.484 62.100 0.130 0.000 1.002 176 T CB 1.291 70.220 68.868 0.101 0.000 1.200 176 T HN -0.162 nan 8.240 nan 0.000 0.560 177 L N 0.053 121.253 121.223 -0.038 0.000 2.240 177 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 177 L C 2.100 179.015 176.870 0.076 0.000 1.106 177 L CA 0.871 55.724 54.840 0.021 0.000 0.793 177 L CB -0.345 41.693 42.059 -0.035 0.000 0.927 177 L HN 0.719 nan 8.230 nan 0.000 0.446 178 D N -1.027 119.385 120.400 0.019 0.000 2.234 178 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 178 D C 1.832 178.141 176.300 0.015 0.000 0.962 178 D CA 0.870 54.864 54.000 -0.010 0.000 0.855 178 D CB -0.001 40.746 40.800 -0.088 0.000 0.951 178 D HN 0.374 nan 8.370 nan 0.000 0.500 179 H N 0.325 119.436 119.070 0.068 0.000 2.545 179 H HA 0.061 4.617 4.556 -0.000 0.000 0.282 179 H C 2.045 177.439 175.328 0.110 0.000 1.020 179 H CA 0.481 56.581 56.048 0.087 0.000 1.243 179 H CB 0.505 30.327 29.762 0.101 0.000 1.377 179 H HN 0.274 nan 8.280 nan 0.000 0.581 180 I N -0.524 120.185 120.570 0.232 0.000 2.927 180 I HA -0.059 4.111 4.170 -0.000 0.000 0.268 180 I C 2.123 178.335 176.117 0.159 0.000 1.153 180 I CA 0.183 61.610 61.300 0.212 0.000 1.459 180 I CB 0.089 38.249 38.000 0.267 0.000 1.149 180 I HN -0.006 nan 8.210 nan 0.000 0.443 181 R N 1.144 121.722 120.500 0.130 0.000 2.285 181 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 181 R C 2.109 178.461 176.300 0.086 0.000 1.068 181 R CA 1.078 57.238 56.100 0.101 0.000 1.004 181 R CB -0.133 30.214 30.300 0.078 0.000 0.873 181 R HN 0.311 nan 8.270 nan 0.000 0.467 182 A N 0.966 123.840 122.820 0.089 0.000 2.021 182 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 182 A C 1.168 178.803 177.584 0.085 0.000 1.163 182 A CA 0.046 52.130 52.037 0.078 0.000 0.676 182 A CB -0.000 19.046 19.000 0.077 0.000 0.818 182 A HN 0.099 nan 8.150 nan 0.000 0.453 183 L N -0.135 121.148 121.223 0.101 0.000 2.472 183 L HA 0.041 4.381 4.340 -0.000 0.000 0.273 183 L C -0.100 176.818 176.870 0.079 0.000 1.254 183 L CA 0.223 55.119 54.840 0.093 0.000 0.823 183 L CB 0.169 42.292 42.059 0.105 0.000 1.096 183 L HN 0.258 nan 8.230 nan 0.000 0.521 184 D N -1.048 119.393 120.400 0.068 0.000 2.420 184 D HA 0.193 4.833 4.640 -0.000 0.000 0.255 184 D C 0.723 177.052 176.300 0.049 0.000 1.185 184 D CA -0.496 53.538 54.000 0.058 0.000 0.904 184 D CB 0.732 41.562 40.800 0.049 0.000 1.102 184 D HN 0.349 nan 8.370 nan 0.000 0.534 185 R N 3.016 123.548 120.500 0.053 0.000 2.236 185 R HA 0.095 4.434 4.340 -0.000 0.000 0.208 185 R C 0.483 176.783 176.300 -0.000 0.000 1.036 185 R CA 0.261 56.384 56.100 0.039 0.000 1.001 185 R CB -0.221 30.114 30.300 0.057 0.000 0.896 185 R HN 0.343 nan 8.270 nan 0.000 0.464 186 L N 3.443 124.659 121.223 -0.010 0.000 2.679 186 L HA 0.009 4.349 4.340 -0.000 0.000 0.241 186 L C -0.264 176.546 176.870 -0.101 0.000 1.441 186 L CA 0.289 55.069 54.840 -0.100 0.000 1.181 186 L CB -1.182 40.852 42.059 -0.042 0.000 1.451 186 L HN 0.447 nan 8.230 nan 0.000 0.446 187 Q N -1.460 118.292 119.800 -0.079 0.000 2.702 187 Q HA 0.361 4.701 4.340 -0.000 0.000 0.289 187 Q C -0.971 175.014 176.000 -0.024 0.000 0.923 187 Q CA -1.078 54.697 55.803 -0.047 0.000 0.787 187 Q CB 1.110 29.842 28.738 -0.010 0.000 1.476 187 Q HN 0.084 nan 8.270 nan 0.000 0.402 188 E N 0.671 120.867 120.200 -0.006 0.000 2.384 188 E HA 0.206 4.556 4.350 -0.000 0.000 0.266 188 E C -0.665 175.947 176.600 0.020 0.000 1.012 188 E CA -0.302 56.108 56.400 0.016 0.000 0.901 188 E CB 0.954 30.673 29.700 0.031 0.000 0.967 188 E HN 0.460 nan 8.360 nan 0.000 0.435 189 V N 7.421 127.349 119.914 0.022 0.000 2.611 189 V HA -0.043 4.077 4.120 -0.000 0.000 0.296 189 V C -1.816 174.264 176.094 -0.024 0.000 1.006 189 V CA -0.376 61.938 62.300 0.023 0.000 1.194 189 V CB -0.642 31.217 31.823 0.060 0.000 0.871 189 V HN 0.790 nan 8.190 nan 0.000 0.470 190 P HA 0.252 nan 4.420 nan 0.000 0.274 190 P C 0.397 177.641 177.300 -0.093 0.000 1.246 190 P CA -0.374 62.732 63.100 0.009 0.000 0.795 190 P CB 0.568 32.295 31.700 0.045 0.000 1.006 191 H N -1.086 117.934 119.070 -0.084 0.000 2.462 191 H HA 0.013 4.569 4.556 -0.000 0.000 0.292 191 H C 0.458 175.679 175.328 -0.178 0.000 1.049 191 H CA 0.998 56.953 56.048 -0.156 0.000 1.334 191 H CB 0.038 29.722 29.762 -0.130 0.000 1.404 191 H HN 0.499 nan 8.280 nan 0.000 0.544 192 E N -1.200 118.998 120.200 -0.003 0.000 2.390 192 E HA 0.566 4.916 4.350 -0.000 0.000 0.277 192 E C -0.342 176.247 176.600 -0.018 0.000 0.939 192 E CA -0.900 55.470 56.400 -0.049 0.000 0.769 192 E CB 2.720 32.404 29.700 -0.027 0.000 1.251 192 E HN 0.192 nan 8.360 nan 0.000 0.450 193 G N 1.226 110.011 108.800 -0.024 0.000 2.355 193 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.619 193 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.619 193 G C -2.513 172.398 174.900 0.019 0.000 1.337 193 G CA -0.342 44.763 45.100 0.010 0.000 0.993 193 G HN 0.425 nan 8.290 nan 0.000 0.599 194 P HA -0.245 nan 4.420 nan 0.000 0.212 194 P C 2.119 179.468 177.300 0.082 0.000 1.178 194 P CA 2.259 65.399 63.100 0.066 0.000 0.915 194 P CB 0.006 31.751 31.700 0.076 0.000 0.788 195 M N -0.347 119.301 119.600 0.079 0.000 2.151 195 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 195 M C 2.594 178.949 176.300 0.092 0.000 1.072 195 M CA 2.665 58.014 55.300 0.083 0.000 1.090 195 M CB -0.958 31.682 32.600 0.067 0.000 1.294 195 M HN 0.089 nan 8.290 nan 0.000 0.415 196 C N 1.100 120.448 119.300 0.080 0.000 2.393 196 C HA -0.217 4.243 4.460 -0.000 0.000 0.276 196 C C 2.195 177.306 174.990 0.201 0.000 1.215 196 C CA 1.879 60.973 59.018 0.128 0.000 1.743 196 C CB -1.386 26.355 27.740 0.001 0.000 2.044 196 C HN 0.636 nan 8.230 nan 0.000 0.464 197 D N 0.658 121.110 120.400 0.086 0.000 2.106 197 D HA -0.152 4.487 4.640 -0.000 0.000 0.191 197 D C 2.171 178.555 176.300 0.141 0.000 0.997 197 D CA 1.650 55.697 54.000 0.080 0.000 0.834 197 D CB -0.698 40.127 40.800 0.042 0.000 0.956 197 D HN 0.571 nan 8.370 nan 0.000 0.448 198 L N -0.059 121.244 121.223 0.132 0.000 2.151 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 198 L C 1.911 178.804 176.870 0.039 0.000 1.084 198 L CA 0.775 55.687 54.840 0.121 0.000 0.764 198 L CB -0.175 41.958 42.059 0.124 0.000 0.891 198 L HN 0.077 nan 8.230 nan 0.000 0.435 199 L N -3.273 117.952 121.223 0.004 0.000 2.640 199 L HA 0.025 4.365 4.340 -0.000 0.000 0.230 199 L C 1.126 177.659 176.870 -0.563 0.000 1.123 199 L CA 0.886 55.606 54.840 -0.200 0.000 0.900 199 L CB -0.049 41.892 42.059 -0.196 0.000 1.146 199 L HN 0.205 nan 8.230 nan 0.000 0.484 200 W N -2.147 119.062 121.300 -0.151 0.000 2.942 200 W HA 0.297 4.956 4.660 -0.000 0.000 0.260 200 W C 1.266 177.777 176.519 -0.014 0.000 1.101 200 W CA -0.157 57.118 57.345 -0.115 0.000 1.436 200 W CB 0.076 29.489 29.460 -0.078 0.000 0.883 200 W HN -0.279 nan 8.180 nan 0.000 0.646 201 S N 2.088 117.878 115.700 0.150 0.000 2.558 201 S HA 0.024 4.494 4.470 -0.000 0.000 0.291 201 S C -0.051 174.521 174.600 -0.046 0.000 1.306 201 S CA 0.367 58.626 58.200 0.098 0.000 1.056 201 S CB 0.223 63.569 63.200 0.244 0.000 0.836 201 S HN 0.046 nan 8.310 nan 0.000 0.504 202 D N 2.211 122.425 120.400 -0.310 0.000 2.533 202 D HA 0.508 5.148 4.640 -0.000 0.000 0.247 202 D C -2.765 172.863 176.300 -1.120 0.000 1.056 202 D CA -1.369 52.359 54.000 -0.453 0.000 1.054 202 D CB 1.792 42.462 40.800 -0.216 0.000 1.400 202 D HN 0.233 nan 8.370 nan 0.000 0.533 203 P HA 0.374 nan 4.420 nan 0.000 0.298 203 P C -1.042 176.199 177.300 -0.099 0.000 1.314 203 P CA -0.299 62.621 63.100 -0.299 0.000 0.854 203 P CB 2.146 33.804 31.700 -0.070 0.000 1.019 204 D N 0.474 120.952 120.400 0.130 0.000 2.450 204 D HA 0.251 4.891 4.640 -0.000 0.000 0.238 204 D C 0.171 176.600 176.300 0.214 0.000 1.020 204 D CA -0.229 53.837 54.000 0.110 0.000 1.010 204 D CB 1.717 42.544 40.800 0.045 0.000 1.342 204 D HN 0.336 nan 8.370 nan 0.000 0.530 205 D N -0.134 120.328 120.400 0.104 0.000 2.479 205 D HA 0.038 4.678 4.640 -0.000 0.000 0.218 205 D C 0.663 176.984 176.300 0.035 0.000 1.177 205 D CA -0.199 53.850 54.000 0.081 0.000 0.830 205 D CB 0.518 41.354 40.800 0.059 0.000 1.014 205 D HN 0.041 nan 8.370 nan 0.000 0.503 206 R N 1.175 121.694 120.500 0.031 0.000 2.317 206 R HA 0.282 4.622 4.340 -0.000 0.000 0.208 206 R C 1.068 177.369 176.300 0.002 0.000 0.914 206 R CA 0.360 56.470 56.100 0.017 0.000 1.060 206 R CB -0.523 29.792 30.300 0.025 0.000 1.015 206 R HN 0.261 nan 8.270 nan 0.000 0.498 207 G N 1.032 109.822 108.800 -0.016 0.000 3.188 207 G HA2 0.043 4.003 3.960 -0.000 0.000 0.683 207 G HA3 0.043 4.003 3.960 -0.000 0.000 0.683 207 G C 0.318 175.184 174.900 -0.057 0.000 1.164 207 G CA 0.293 45.358 45.100 -0.058 0.000 1.059 207 G HN 0.620 nan 8.290 nan 0.000 0.570 208 G N 0.833 109.559 108.800 -0.122 0.000 2.801 208 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 208 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 208 G C 0.357 175.221 174.900 -0.060 0.000 1.507 208 G CA 0.304 45.324 45.100 -0.133 0.000 0.980 208 G HN 1.854 nan 8.290 nan 0.000 0.589 209 W N 0.238 121.549 121.300 0.018 0.000 2.484 209 W HA 0.365 5.025 4.660 0.000 0.000 0.337 209 W C 1.141 177.650 176.519 -0.017 0.000 1.214 209 W CA 0.963 58.309 57.345 0.000 0.000 1.296 209 W CB 0.417 29.813 29.460 -0.107 0.000 1.174 209 W HN 0.948 nan 8.180 nan 0.000 0.564 210 G N 2.851 111.830 108.800 0.297 0.000 2.574 210 G HA2 0.550 4.510 3.960 -0.000 0.000 0.299 210 G HA3 0.550 4.510 3.960 -0.000 0.000 0.299 210 G C -1.732 173.310 174.900 0.237 0.000 1.298 210 G CA -1.278 43.933 45.100 0.185 0.000 0.952 210 G HN 0.386 nan 8.290 nan 0.000 0.477 211 I N 1.186 121.865 120.570 0.182 0.000 2.496 211 I HA 0.391 4.561 4.170 -0.000 0.000 0.285 211 I C 0.870 177.090 176.117 0.171 0.000 1.080 211 I CA -0.406 61.032 61.300 0.231 0.000 1.404 211 I CB 1.371 39.459 38.000 0.146 0.000 1.403 211 I HN 0.305 nan 8.210 nan 0.000 0.539 212 S N 9.224 125.026 115.700 0.170 0.000 2.481 212 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 212 S C -1.325 173.309 174.600 0.057 0.000 1.247 212 S CA -1.056 57.199 58.200 0.092 0.000 1.053 212 S CB 0.454 63.696 63.200 0.071 0.000 0.925 212 S HN 0.643 nan 8.310 nan 0.000 0.491 213 P HA -0.009 nan 4.420 nan 0.000 0.244 213 P C 0.771 178.092 177.300 0.036 0.000 1.211 213 P CA 0.309 63.429 63.100 0.033 0.000 0.760 213 P CB 0.178 31.893 31.700 0.024 0.000 0.961 214 R N -0.246 120.285 120.500 0.053 0.000 2.043 214 R HA 0.195 4.535 4.340 -0.000 0.000 0.221 214 R C 1.810 178.122 176.300 0.019 0.000 1.196 214 R CA 1.752 57.903 56.100 0.085 0.000 0.949 214 R CB -0.477 29.943 30.300 0.199 0.000 0.838 214 R HN 0.292 nan 8.270 nan 0.000 0.446 215 G N -1.850 106.923 108.800 -0.045 0.000 3.987 215 G HA2 0.158 4.118 3.960 -0.000 0.000 0.220 215 G HA3 0.158 4.118 3.960 -0.000 0.000 0.220 215 G C -0.581 174.175 174.900 -0.240 0.000 0.871 215 G CA -0.036 44.988 45.100 -0.126 0.000 0.881 215 G HN 0.602 nan 8.290 nan 0.000 0.674 216 A N -0.557 122.098 122.820 -0.275 0.000 2.609 216 A HA 1.025 5.345 4.320 -0.000 0.000 0.291 216 A C 0.792 178.239 177.584 -0.228 0.000 1.096 216 A CA 0.657 52.462 52.037 -0.387 0.000 0.684 216 A CB 0.850 19.344 19.000 -0.843 0.000 1.282 216 A HN 2.136 nan 8.150 nan 0.000 0.412 217 G N -1.177 107.400 108.800 -0.373 0.000 2.894 217 G HA2 0.026 3.986 3.960 -0.000 0.000 0.247 217 G HA3 0.026 3.986 3.960 -0.000 0.000 0.247 217 G C -0.500 174.079 174.900 -0.536 0.000 1.442 217 G CA 0.408 45.273 45.100 -0.393 0.000 0.897 217 G HN 1.450 nan 8.290 nan 0.000 0.550 218 Y N -1.477 118.904 120.300 0.136 0.000 2.753 218 Y HA 0.692 5.242 4.550 -0.000 0.000 0.324 218 Y C 1.104 177.076 175.900 0.120 0.000 1.147 218 Y CA -0.239 57.961 58.100 0.166 0.000 1.173 218 Y CB 2.132 40.747 38.460 0.258 0.000 1.361 218 Y HN 0.838 nan 8.280 nan 0.000 0.545 219 T N -0.548 114.205 114.554 0.332 0.000 3.378 219 T HA 0.354 4.704 4.350 -0.000 0.000 0.359 219 T C -0.514 174.210 174.700 0.040 0.000 1.815 219 T CA -0.784 61.336 62.100 0.033 0.000 1.509 219 T CB -1.448 67.442 68.868 0.037 0.000 1.049 219 T HN 0.367 nan 8.240 nan 0.000 0.705 220 F N 1.006 121.041 119.950 0.142 0.000 2.646 220 F HA 0.655 5.182 4.527 -0.000 0.000 0.321 220 F C 0.645 176.369 175.800 -0.127 0.000 1.241 220 F CA -0.906 56.922 58.000 -0.287 0.000 1.365 220 F CB -0.549 38.134 39.000 -0.528 0.000 1.143 220 F HN 0.605 nan 8.300 nan 0.000 0.601 221 G N -0.904 107.933 108.800 0.061 0.000 2.866 221 G HA2 0.336 4.296 3.960 -0.000 0.000 0.289 221 G HA3 0.336 4.296 3.960 -0.000 0.000 0.289 221 G C -0.263 174.196 174.900 -0.735 0.000 1.396 221 G CA -0.420 44.579 45.100 -0.169 0.000 0.848 221 G HN 0.833 nan 8.290 nan 0.000 0.515 222 Q N -0.491 118.714 119.800 -0.992 0.000 2.012 222 Q HA -0.263 4.077 4.340 -0.000 0.000 0.211 222 Q C 2.261 178.027 176.000 -0.391 0.000 1.009 222 Q CA 3.046 58.400 55.803 -0.748 0.000 0.866 222 Q CB -0.190 28.350 28.738 -0.329 0.000 0.945 222 Q HN 0.724 nan 8.270 nan 0.000 0.414 223 D N 0.103 120.335 120.400 -0.280 0.000 2.127 223 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 223 D C 1.949 178.119 176.300 -0.217 0.000 1.000 223 D CA 1.953 55.835 54.000 -0.198 0.000 0.839 223 D CB -0.890 39.813 40.800 -0.162 0.000 0.955 223 D HN 0.477 nan 8.370 nan 0.000 0.446 224 I N 1.156 121.536 120.570 -0.317 0.000 2.118 224 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 224 I C 2.768 178.712 176.117 -0.288 0.000 1.070 224 I CA 1.449 62.517 61.300 -0.386 0.000 1.327 224 I CB -0.500 37.063 38.000 -0.729 0.000 1.034 224 I HN 0.003 nan 8.210 nan 0.000 0.405 225 S N 0.575 116.081 115.700 -0.323 0.000 2.378 225 S HA -0.256 4.214 4.470 -0.000 0.000 0.221 225 S C 1.816 176.397 174.600 -0.031 0.000 1.037 225 S CA 1.710 59.788 58.200 -0.203 0.000 1.069 225 S CB -0.578 62.602 63.200 -0.033 0.000 1.006 225 S HN 0.448 nan 8.310 nan 0.000 0.423 226 E N 0.457 120.633 120.200 -0.041 0.000 2.149 226 E HA -0.234 4.116 4.350 -0.000 0.000 0.215 226 E C 2.253 178.879 176.600 0.044 0.000 1.055 226 E CA 1.926 58.332 56.400 0.009 0.000 0.870 226 E CB -0.643 29.041 29.700 -0.026 0.000 0.764 226 E HN 0.523 nan 8.360 nan 0.000 0.463 227 T N 0.786 115.346 114.554 0.009 0.000 2.708 227 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 227 T C 1.514 176.272 174.700 0.096 0.000 1.037 227 T CA 1.239 63.351 62.100 0.020 0.000 1.146 227 T CB -0.534 68.335 68.868 0.001 0.000 0.865 227 T HN 0.122 nan 8.240 nan 0.000 0.435 228 F N 3.180 123.096 119.950 -0.056 0.000 2.027 228 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 228 F C 2.240 178.013 175.800 -0.045 0.000 1.129 228 F CA 1.426 59.388 58.000 -0.063 0.000 1.195 228 F CB -0.696 38.234 39.000 -0.117 0.000 0.960 228 F HN 0.084 nan 8.300 nan 0.000 0.485 229 N N -0.458 118.291 118.700 0.082 0.000 2.011 229 N HA -0.309 4.431 4.740 -0.000 0.000 0.199 229 N C 2.099 177.598 175.510 -0.018 0.000 1.047 229 N CA 1.893 54.945 53.050 0.003 0.000 0.863 229 N CB -1.364 37.168 38.487 0.075 0.000 1.056 229 N HN 0.437 nan 8.380 nan 0.000 0.427 230 H N 1.399 120.438 119.070 -0.051 0.000 2.390 230 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 230 H C 1.774 177.055 175.328 -0.079 0.000 1.106 230 H CA 1.802 57.821 56.048 -0.049 0.000 1.297 230 H CB -0.244 29.502 29.762 -0.027 0.000 1.375 230 H HN 0.238 nan 8.280 nan 0.000 0.509 231 A N 1.626 124.520 122.820 0.123 0.000 1.830 231 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 231 A C 2.309 179.839 177.584 -0.089 0.000 1.218 231 A CA 1.710 53.760 52.037 0.022 0.000 0.628 231 A CB -0.721 18.232 19.000 -0.077 0.000 0.860 231 A HN 0.614 nan 8.150 nan 0.000 0.454 232 N N -0.220 118.332 118.700 -0.247 0.000 2.443 232 N HA 0.027 4.767 4.740 -0.000 0.000 0.184 232 N C 0.980 176.385 175.510 -0.174 0.000 1.037 232 N CA 1.302 54.200 53.050 -0.254 0.000 0.896 232 N CB -0.107 38.110 38.487 -0.450 0.000 0.959 232 N HN 0.994 nan 8.380 nan 0.000 0.442 233 G N 0.640 109.347 108.800 -0.155 0.000 2.288 233 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.205 233 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.205 233 G C -0.505 174.343 174.900 -0.087 0.000 1.071 233 G CA -0.494 44.537 45.100 -0.114 0.000 0.788 233 G HN 0.172 nan 8.290 nan 0.000 0.491 234 L N 0.293 121.461 121.223 -0.093 0.000 2.309 234 L HA 0.633 4.973 4.340 -0.000 0.000 0.282 234 L C 1.628 178.507 176.870 0.016 0.000 1.036 234 L CA 0.015 54.836 54.840 -0.031 0.000 0.806 234 L CB 1.701 43.732 42.059 -0.047 0.000 1.220 234 L HN 0.280 nan 8.230 nan 0.000 0.429 235 T N 2.561 117.145 114.554 0.050 0.000 3.037 235 T HA 0.218 4.568 4.350 -0.000 0.000 0.251 235 T C -0.070 174.686 174.700 0.092 0.000 1.079 235 T CA 0.247 62.387 62.100 0.067 0.000 1.067 235 T CB 0.189 69.105 68.868 0.080 0.000 0.948 235 T HN 0.336 nan 8.240 nan 0.000 0.496 236 L N 0.874 122.163 121.223 0.109 0.000 2.666 236 L HA 0.581 4.921 4.340 -0.000 0.000 0.259 236 L C -1.909 175.065 176.870 0.174 0.000 0.919 236 L CA -0.745 54.174 54.840 0.132 0.000 0.927 236 L CB 1.861 43.971 42.059 0.086 0.000 1.423 236 L HN -0.151 nan 8.230 nan 0.000 0.426 237 V N 3.431 123.463 119.914 0.197 0.000 2.328 237 V HA 0.555 4.675 4.120 -0.000 0.000 0.278 237 V C 0.180 176.363 176.094 0.148 0.000 1.021 237 V CA -0.258 62.197 62.300 0.259 0.000 0.838 237 V CB 1.322 33.324 31.823 0.297 0.000 0.999 237 V HN 0.803 nan 8.190 nan 0.000 0.447 238 S N 6.074 121.835 115.700 0.101 0.000 2.423 238 S HA 0.676 5.146 4.470 -0.000 0.000 0.317 238 S C -0.021 174.570 174.600 -0.016 0.000 1.065 238 S CA -0.801 57.410 58.200 0.017 0.000 1.111 238 S CB 0.047 63.243 63.200 -0.007 0.000 0.968 238 S HN 0.880 nan 8.310 nan 0.000 0.474 239 R N 3.082 123.574 120.500 -0.013 0.000 3.084 239 R HA 0.980 5.320 4.340 -0.000 0.000 0.234 239 R C -1.112 175.155 176.300 -0.055 0.000 1.433 239 R CA -0.912 55.167 56.100 -0.034 0.000 1.053 239 R CB 0.418 30.726 30.300 0.013 0.000 1.449 239 R HN 0.581 nan 8.270 nan 0.000 0.505 240 A N -0.284 122.483 122.820 -0.088 0.000 1.957 240 A HA 0.365 4.685 4.320 -0.000 0.000 0.286 240 A C -1.321 176.180 177.584 -0.138 0.000 0.993 240 A CA -0.266 51.729 52.037 -0.070 0.000 0.961 240 A CB -0.466 18.518 19.000 -0.026 0.000 1.207 240 A HN 1.011 nan 8.150 nan 0.000 0.340 241 H N 1.239 120.121 119.070 -0.314 0.000 3.726 241 H HA 0.311 4.867 4.556 -0.000 0.000 0.262 241 H C -0.017 175.175 175.328 -0.226 0.000 1.181 241 H CA 1.157 56.901 56.048 -0.506 0.000 1.143 241 H CB 0.515 29.725 29.762 -0.921 0.000 1.627 241 H HN 0.613 nan 8.280 nan 0.000 0.750 242 Q N 1.086 120.700 119.800 -0.311 0.000 2.365 242 Q HA 0.310 4.650 4.340 -0.000 0.000 0.269 242 Q C -1.023 174.579 176.000 -0.662 0.000 1.061 242 Q CA -1.444 54.079 55.803 -0.466 0.000 0.816 242 Q CB 3.157 31.676 28.738 -0.364 0.000 1.325 242 Q HN 0.217 nan 8.270 nan 0.000 0.446 243 L N 2.961 123.603 121.223 -0.968 0.000 2.562 243 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 243 L C -0.671 175.848 176.870 -0.584 0.000 1.167 243 L CA -0.120 53.964 54.840 -1.261 0.000 0.917 243 L CB 0.516 42.052 42.059 -0.872 0.000 1.187 243 L HN 0.527 nan 8.230 nan 0.000 0.482 244 V N 3.924 123.582 119.914 -0.426 0.000 2.334 244 V HA 0.278 4.398 4.120 -0.000 0.000 0.281 244 V C 1.168 177.159 176.094 -0.171 0.000 1.016 244 V CA -0.768 61.385 62.300 -0.245 0.000 0.832 244 V CB 1.150 32.849 31.823 -0.207 0.000 0.999 244 V HN 1.014 nan 8.190 nan 0.000 0.439 245 M N 2.808 122.322 119.600 -0.143 0.000 2.252 245 M HA -0.127 4.353 4.480 -0.000 0.000 0.257 245 M C 1.435 177.698 176.300 -0.062 0.000 1.077 245 M CA 1.789 57.039 55.300 -0.084 0.000 1.066 245 M CB -0.406 32.152 32.600 -0.070 0.000 1.380 245 M HN 0.795 nan 8.290 nan 0.000 0.412 246 E N -1.320 118.823 120.200 -0.095 0.000 2.444 246 E HA 0.271 4.621 4.350 -0.000 0.000 0.191 246 E C 1.483 178.064 176.600 -0.032 0.000 1.041 246 E CA 0.658 57.009 56.400 -0.081 0.000 0.883 246 E CB -0.266 29.346 29.700 -0.147 0.000 1.024 246 E HN 0.627 nan 8.360 nan 0.000 0.470 247 G N 1.446 110.233 108.800 -0.021 0.000 2.320 247 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.242 247 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.242 247 G C 0.021 174.970 174.900 0.083 0.000 1.033 247 G CA 0.601 45.708 45.100 0.012 0.000 0.620 247 G HN 0.313 nan 8.290 nan 0.000 0.517 248 Y N -0.883 119.245 120.300 -0.287 0.000 2.583 248 Y HA 0.725 5.275 4.550 -0.000 0.000 0.330 248 Y C -1.427 174.202 175.900 -0.453 0.000 1.185 248 Y CA -1.776 56.069 58.100 -0.426 0.000 1.107 248 Y CB 0.348 38.388 38.460 -0.699 0.000 1.344 248 Y HN 0.395 nan 8.280 nan 0.000 0.463 249 N N 1.358 119.693 118.700 -0.609 0.000 2.308 249 N HA 0.498 5.238 4.740 -0.000 0.000 0.283 249 N C -2.224 173.031 175.510 -0.427 0.000 1.105 249 N CA -0.628 52.082 53.050 -0.568 0.000 0.840 249 N CB 1.870 40.158 38.487 -0.331 0.000 1.633 249 N HN 0.751 nan 8.380 nan 0.000 0.476 250 W N 2.329 123.476 121.300 -0.255 0.000 2.448 250 W HA 0.624 5.284 4.660 -0.000 0.000 0.339 250 W C 0.339 176.793 176.519 -0.108 0.000 1.124 250 W CA -0.290 56.978 57.345 -0.128 0.000 1.262 250 W CB 0.998 30.413 29.460 -0.075 0.000 1.251 250 W HN 0.632 nan 8.180 nan 0.000 0.597 251 C N -1.940 117.497 119.300 0.228 0.000 3.272 251 C HA 0.442 4.902 4.460 -0.000 0.000 0.363 251 C C -0.087 175.010 174.990 0.179 0.000 1.514 251 C CA -1.051 58.029 59.018 0.103 0.000 1.185 251 C CB 1.114 28.811 27.740 -0.071 0.000 1.716 251 C HN 0.993 nan 8.230 nan 0.000 0.440 252 H N 0.477 119.598 119.070 0.086 0.000 2.655 252 H HA -0.164 4.392 4.556 -0.000 0.000 0.313 252 H C -0.057 175.301 175.328 0.050 0.000 1.141 252 H CA 1.364 57.448 56.048 0.061 0.000 1.138 252 H CB -1.139 28.660 29.762 0.061 0.000 1.446 252 H HN 1.154 nan 8.280 nan 0.000 0.415 253 D N 0.366 120.856 120.400 0.149 0.000 4.288 253 D HA -0.216 4.424 4.640 -0.000 0.000 0.234 253 D C -0.027 176.309 176.300 0.061 0.000 1.054 253 D CA 0.853 54.892 54.000 0.065 0.000 1.227 253 D CB 0.148 40.972 40.800 0.040 0.000 0.788 253 D HN 0.503 nan 8.370 nan 0.000 0.393 254 R N 2.519 123.017 120.500 -0.004 0.000 1.620 254 R HA -0.274 4.066 4.340 -0.000 0.000 0.183 254 R C 0.497 176.847 176.300 0.083 0.000 0.543 254 R CA 0.833 56.882 56.100 -0.085 0.000 0.340 254 R CB -0.949 29.097 30.300 -0.423 0.000 1.560 254 R HN 0.533 nan 8.270 nan 0.000 0.569 255 N N -0.797 118.025 118.700 0.203 0.000 2.612 255 N HA 0.053 4.793 4.740 -0.000 0.000 0.224 255 N C 0.076 175.715 175.510 0.214 0.000 1.051 255 N CA 0.401 53.561 53.050 0.184 0.000 0.889 255 N CB 0.762 39.349 38.487 0.167 0.000 1.449 255 N HN 0.080 nan 8.380 nan 0.000 0.442 256 V N 1.221 121.264 119.914 0.215 0.000 2.735 256 V HA 0.581 4.701 4.120 -0.000 0.000 0.310 256 V C -1.144 175.023 176.094 0.123 0.000 1.061 256 V CA -0.651 61.734 62.300 0.141 0.000 0.913 256 V CB 2.346 34.202 31.823 0.056 0.000 1.005 256 V HN -0.154 nan 8.190 nan 0.000 0.428 257 V N 5.117 125.038 119.914 0.011 0.000 2.789 257 V HA 0.748 4.867 4.120 -0.000 0.000 0.311 257 V C -0.216 175.781 176.094 -0.162 0.000 1.073 257 V CA 0.022 62.212 62.300 -0.183 0.000 0.921 257 V CB 2.727 34.230 31.823 -0.533 0.000 1.009 257 V HN 1.000 nan 8.190 nan 0.000 0.426 258 T N 7.332 121.761 114.554 -0.208 0.000 2.855 258 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 258 T C -0.575 174.039 174.700 -0.142 0.000 1.007 258 T CA -0.130 61.880 62.100 -0.148 0.000 1.009 258 T CB 1.068 69.847 68.868 -0.148 0.000 0.983 258 T HN 0.563 nan 8.240 nan 0.000 0.455 259 I N 2.934 123.465 120.570 -0.065 0.000 2.540 259 I HA 0.312 4.482 4.170 -0.000 0.000 0.280 259 I C -1.205 174.930 176.117 0.030 0.000 1.083 259 I CA -0.631 60.654 61.300 -0.025 0.000 1.080 259 I CB 1.165 39.151 38.000 -0.023 0.000 1.205 259 I HN 0.479 nan 8.210 nan 0.000 0.459 260 F N 4.582 124.433 119.950 -0.165 0.000 2.411 260 F HA 0.325 4.852 4.527 -0.000 0.000 0.355 260 F C 1.223 176.905 175.800 -0.196 0.000 1.117 260 F CA 0.209 58.095 58.000 -0.191 0.000 1.139 260 F CB 1.561 40.429 39.000 -0.221 0.000 1.120 260 F HN 0.380 nan 8.300 nan 0.000 0.493 261 S N 3.472 118.904 115.700 -0.448 0.000 2.535 261 S HA 0.252 4.722 4.470 -0.000 0.000 0.214 261 S C 0.678 175.090 174.600 -0.313 0.000 0.980 261 S CA 0.124 58.128 58.200 -0.327 0.000 0.907 261 S CB 0.102 63.206 63.200 -0.160 0.000 0.790 261 S HN 0.633 nan 8.310 nan 0.000 0.510 262 A N 4.276 126.709 122.820 -0.644 0.000 2.415 262 A HA 0.465 4.785 4.320 -0.000 0.000 0.309 262 A C -2.526 175.048 177.584 -0.016 0.000 1.356 262 A CA -1.693 50.142 52.037 -0.337 0.000 0.998 262 A CB -0.074 18.613 19.000 -0.522 0.000 1.145 262 A HN 0.116 nan 8.150 nan 0.000 0.545 263 P HA 0.062 nan 4.420 nan 0.000 0.275 263 P C 0.117 177.590 177.300 0.288 0.000 1.227 263 P CA 0.101 63.328 63.100 0.211 0.000 0.781 263 P CB 0.582 32.453 31.700 0.285 0.000 0.906 264 N N 1.677 120.535 118.700 0.264 0.000 2.714 264 N HA -0.274 4.466 4.740 -0.000 0.000 0.250 264 N C -0.417 175.300 175.510 0.345 0.000 1.117 264 N CA 0.486 53.696 53.050 0.266 0.000 0.719 264 N CB -2.376 36.255 38.487 0.241 0.000 1.081 264 N HN 0.586 nan 8.380 nan 0.000 0.557 265 Y N -0.169 120.264 120.300 0.221 0.000 3.236 265 Y HA -0.372 4.178 4.550 -0.000 0.000 0.377 265 Y C 1.726 177.666 175.900 0.068 0.000 1.142 265 Y CA 0.870 59.089 58.100 0.199 0.000 1.543 265 Y CB -0.009 38.645 38.460 0.324 0.000 1.022 265 Y HN 0.509 nan 8.280 nan 0.000 0.603 266 C N 4.312 123.429 119.300 -0.306 0.000 4.167 266 C HA -0.332 4.128 4.460 -0.000 0.000 0.293 266 C C 0.488 175.363 174.990 -0.192 0.000 1.489 266 C CA 1.001 59.712 59.018 -0.511 0.000 2.041 266 C CB -3.301 24.057 27.740 -0.636 0.000 1.287 266 C HN 1.106 nan 8.230 nan 0.000 0.791 267 Y N -2.769 117.559 120.300 0.046 0.000 4.079 267 Y HA -0.350 4.200 4.550 -0.000 0.000 0.223 267 Y C 1.514 177.430 175.900 0.028 0.000 1.155 267 Y CA 0.611 58.745 58.100 0.058 0.000 1.805 267 Y CB -0.953 37.538 38.460 0.051 0.000 1.571 267 Y HN 0.618 nan 8.280 nan 0.000 0.654 268 R N -1.909 118.677 120.500 0.142 0.000 2.716 268 R HA 0.181 4.521 4.340 -0.000 0.000 0.186 268 R C 1.275 177.615 176.300 0.068 0.000 0.830 268 R CA 0.779 56.923 56.100 0.073 0.000 1.059 268 R CB -0.615 29.688 30.300 0.006 0.000 1.531 268 R HN 0.275 nan 8.270 nan 0.000 0.633 269 C N 2.470 121.817 119.300 0.078 0.000 2.514 269 C HA 0.109 4.569 4.460 -0.000 0.000 0.289 269 C C 1.435 176.483 174.990 0.097 0.000 1.458 269 C CA 0.320 59.392 59.018 0.089 0.000 1.669 269 C CB -1.978 25.846 27.740 0.140 0.000 1.613 269 C HN 0.725 nan 8.230 nan 0.000 0.594 270 G N 3.234 112.096 108.800 0.103 0.000 2.471 270 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.301 270 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.301 270 G C 0.147 175.095 174.900 0.079 0.000 0.902 270 G CA 0.780 45.934 45.100 0.089 0.000 1.002 270 G HN 0.843 nan 8.290 nan 0.000 0.509 271 N N -1.046 117.716 118.700 0.103 0.000 2.485 271 N HA 0.396 5.136 4.740 -0.000 0.000 0.280 271 N C -0.149 175.409 175.510 0.080 0.000 1.205 271 N CA -0.762 52.333 53.050 0.075 0.000 0.959 271 N CB 1.163 39.696 38.487 0.077 0.000 1.206 271 N HN 0.358 nan 8.380 nan 0.000 0.545 272 Q N -0.649 119.175 119.800 0.039 0.000 2.193 272 Q HA 0.665 5.005 4.340 -0.000 0.000 0.246 272 Q C -0.825 175.144 176.000 -0.051 0.000 0.959 272 Q CA -0.987 54.821 55.803 0.007 0.000 0.904 272 Q CB 1.773 30.511 28.738 -0.001 0.000 1.238 272 Q HN 0.776 nan 8.270 nan 0.000 0.469 273 A N 0.212 122.887 122.820 -0.241 0.000 2.469 273 A HA 0.939 5.259 4.320 -0.000 0.000 0.299 273 A C -1.546 175.570 177.584 -0.779 0.000 1.098 273 A CA -0.235 51.538 52.037 -0.440 0.000 0.737 273 A CB 1.875 20.558 19.000 -0.529 0.000 1.312 273 A HN 0.716 nan 8.150 nan 0.000 0.414 274 A N 0.232 122.698 122.820 -0.590 0.000 2.610 274 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 274 A C -0.877 176.554 177.584 -0.254 0.000 1.086 274 A CA -0.104 51.647 52.037 -0.477 0.000 0.677 274 A CB 0.718 19.542 19.000 -0.294 0.000 1.278 274 A HN 1.933 nan 8.150 nan 0.000 0.414 275 I N -1.903 118.606 120.570 -0.101 0.000 3.002 275 I HA 0.811 4.981 4.170 -0.000 0.000 0.310 275 I C -0.578 175.539 176.117 -0.001 0.000 1.087 275 I CA -1.090 60.198 61.300 -0.021 0.000 1.017 275 I CB 2.265 40.288 38.000 0.039 0.000 1.226 275 I HN 0.777 nan 8.210 nan 0.000 0.443 276 M N 3.114 122.686 119.600 -0.046 0.000 2.227 276 M HA 0.439 4.919 4.480 -0.000 0.000 0.335 276 M C -1.268 174.889 176.300 -0.239 0.000 1.053 276 M CA -0.197 54.951 55.300 -0.253 0.000 0.973 276 M CB 1.506 33.945 32.600 -0.269 0.000 1.623 276 M HN 0.640 nan 8.290 nan 0.000 0.434 277 E N 6.102 126.142 120.200 -0.268 0.000 2.055 277 E HA 0.339 4.689 4.350 -0.000 0.000 0.274 277 E C -1.200 175.303 176.600 -0.162 0.000 0.949 277 E CA -0.364 55.923 56.400 -0.189 0.000 0.775 277 E CB 1.157 30.767 29.700 -0.150 0.000 1.097 277 E HN 0.681 nan 8.360 nan 0.000 0.404 278 L N 4.804 125.951 121.223 -0.127 0.000 2.281 278 L HA 0.136 4.476 4.340 -0.000 0.000 0.285 278 L C 1.035 177.867 176.870 -0.065 0.000 1.074 278 L CA -0.528 54.269 54.840 -0.071 0.000 0.817 278 L CB 0.119 42.150 42.059 -0.046 0.000 1.168 278 L HN 0.616 nan 8.230 nan 0.000 0.434 279 D N 1.921 122.292 120.400 -0.047 0.000 2.301 279 D HA -0.036 4.604 4.640 -0.000 0.000 0.287 279 D C 0.279 176.559 176.300 -0.033 0.000 1.179 279 D CA -0.181 53.791 54.000 -0.048 0.000 1.060 279 D CB 0.501 41.275 40.800 -0.044 0.000 1.135 279 D HN 0.410 nan 8.370 nan 0.000 0.531 280 D N -1.451 118.931 120.400 -0.030 0.000 2.269 280 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 280 D C 0.467 176.759 176.300 -0.012 0.000 0.963 280 D CA 1.401 55.388 54.000 -0.022 0.000 0.864 280 D CB -0.073 40.714 40.800 -0.022 0.000 0.936 280 D HN 0.518 nan 8.370 nan 0.000 0.505 281 T N -1.746 112.801 114.554 -0.011 0.000 3.732 281 T HA 0.311 4.661 4.350 -0.000 0.000 0.234 281 T C 0.163 174.869 174.700 0.010 0.000 1.146 281 T CA -0.682 61.416 62.100 -0.003 0.000 1.454 281 T CB -0.927 67.934 68.868 -0.011 0.000 0.910 281 T HN 0.044 nan 8.240 nan 0.000 0.640 282 L N 1.006 122.244 121.223 0.025 0.000 3.852 282 L HA -0.184 4.156 4.340 -0.000 0.000 0.543 282 L C -0.128 176.804 176.870 0.103 0.000 1.068 282 L CA 0.623 55.503 54.840 0.066 0.000 0.810 282 L CB -0.924 41.191 42.059 0.092 0.000 1.103 282 L HN 0.486 nan 8.230 nan 0.000 0.743 283 K N 2.382 122.819 120.400 0.061 0.000 2.292 283 K HA 0.399 4.718 4.320 -0.000 0.000 0.257 283 K C -0.351 176.315 176.600 0.110 0.000 0.940 283 K CA -0.612 55.686 56.287 0.018 0.000 0.811 283 K CB 1.282 33.746 32.500 -0.061 0.000 1.120 283 K HN 0.182 nan 8.250 nan 0.000 0.428 284 Y N 1.393 121.664 120.300 -0.048 0.000 2.637 284 Y HA 0.073 4.623 4.550 -0.000 0.000 0.350 284 Y C 0.519 176.298 175.900 -0.201 0.000 1.069 284 Y CA -0.767 57.250 58.100 -0.139 0.000 1.397 284 Y CB 0.026 38.565 38.460 0.131 0.000 1.163 284 Y HN 0.339 nan 8.280 nan 0.000 0.527 285 S N 3.476 119.028 115.700 -0.246 0.000 2.756 285 S HA 0.557 5.027 4.470 -0.000 0.000 0.303 285 S C -1.050 173.330 174.600 -0.367 0.000 1.135 285 S CA -0.826 57.261 58.200 -0.188 0.000 1.066 285 S CB 0.323 63.461 63.200 -0.103 0.000 1.008 285 S HN 0.387 nan 8.310 nan 0.000 0.482 286 F N 2.126 122.018 119.950 -0.095 0.000 2.399 286 F HA 0.617 5.144 4.527 -0.000 0.000 0.334 286 F C 0.107 175.768 175.800 -0.231 0.000 1.097 286 F CA -1.122 56.688 58.000 -0.318 0.000 1.076 286 F CB 1.295 39.809 39.000 -0.810 0.000 1.162 286 F HN 0.435 nan 8.300 nan 0.000 0.495 287 L N 3.368 124.580 121.223 -0.017 0.000 2.372 287 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 287 L C -0.758 176.105 176.870 -0.011 0.000 0.989 287 L CA -0.721 54.130 54.840 0.019 0.000 0.841 287 L CB 1.624 43.721 42.059 0.064 0.000 1.225 287 L HN 0.566 nan 8.230 nan 0.000 0.414 288 Q N 3.404 123.204 119.800 -0.000 0.000 2.235 288 Q HA 0.668 5.007 4.340 -0.000 0.000 0.250 288 Q C -1.119 174.927 176.000 0.077 0.000 0.909 288 Q CA -0.506 55.268 55.803 -0.048 0.000 0.910 288 Q CB 2.196 30.946 28.738 0.020 0.000 1.223 288 Q HN 0.481 nan 8.270 nan 0.000 0.432 289 F N -1.651 118.315 119.950 0.026 0.000 2.626 289 F HA 0.578 5.105 4.527 -0.000 0.000 0.311 289 F C -1.030 174.791 175.800 0.035 0.000 1.088 289 F CA -1.414 56.600 58.000 0.024 0.000 0.949 289 F CB 1.272 40.276 39.000 0.007 0.000 1.322 289 F HN 0.243 nan 8.300 nan 0.000 0.461 290 D N 2.068 122.701 120.400 0.389 0.000 2.217 290 D HA 0.328 4.968 4.640 -0.000 0.000 0.248 290 D C -2.615 173.855 176.300 0.283 0.000 1.008 290 D CA -1.148 53.012 54.000 0.266 0.000 0.914 290 D CB 1.806 42.698 40.800 0.152 0.000 1.182 290 D HN 0.346 nan 8.370 nan 0.000 0.451 291 P HA 0.003 nan 4.420 nan 0.000 0.261 291 P C -0.613 176.750 177.300 0.106 0.000 1.183 291 P CA -0.140 63.074 63.100 0.189 0.000 0.761 291 P CB 0.243 32.045 31.700 0.170 0.000 0.785 292 A N 7.077 129.934 122.820 0.063 0.000 2.548 292 A HA 0.191 4.511 4.320 -0.000 0.000 0.247 292 A C -1.519 176.078 177.584 0.023 0.000 1.067 292 A CA -1.001 51.042 52.037 0.010 0.000 0.757 292 A CB -1.152 17.833 19.000 -0.026 0.000 0.996 292 A HN 0.467 nan 8.150 nan 0.000 0.504 293 P HA 0.073 nan 4.420 nan 0.000 0.258 293 P C -0.157 177.145 177.300 0.003 0.000 1.187 293 P CA 0.407 63.512 63.100 0.008 0.000 0.767 293 P CB 0.490 32.190 31.700 0.001 0.000 0.770 294 R N 0.000 120.509 120.500 0.015 0.000 2.786 294 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 294 R CA 0.000 56.121 56.100 0.036 0.000 0.921 294 R CB 0.000 30.327 30.300 0.045 0.000 0.687 294 R HN 0.000 nan 8.270 nan 0.000 0.535