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 3m7e_1_A DATA FIRST_RESID 5 DATA SEQUENCE KPFPLPTGYF GIPLGLAALS LAWFHLENLF PAARMVSDVL GIVASAVWIL DATA SEQUENCE FILMYAYKLR YYFEEVRAEY HSPVRFSFIA LIPITTMLVG DILYRWNPLI DATA SEQUENCE AEVLIWIGTI GQLLFSTLRV SELWQGGVFE QKSTHPSFYL PAVAANFTSA DATA SEQUENCE SSLALLGYHD LGYLFFGAGM IAWIIFEPVL LQHLRISSLE PQFRATMGIV DATA SEQUENCE LAPAFVCVSA YLSINHGEVD TLAKILWGYG FLQLFFLLRL FPWIVEKGLN DATA SEQUENCE IGLWAFSFGL ASMANSATAF YHGNVLQGVS IFAFVFSNVM IGLLVLMTIY DATA SEQUENCE KLTKGQFFL 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.658 176.600 0.097 0.000 0.988 5 K CA 0.000 56.308 56.287 0.035 0.000 0.838 5 K CB 0.000 32.513 32.500 0.021 0.000 1.064 6 P HA 0.282 nan 4.420 nan 0.000 0.268 6 P C -0.871 176.587 177.300 0.263 0.000 1.208 6 P CA 0.057 63.222 63.100 0.108 0.000 0.777 6 P CB 0.123 31.983 31.700 0.267 0.000 0.875 7 F N -0.879 119.033 119.950 -0.063 0.000 2.678 7 F HA 0.610 5.138 4.527 0.003 0.000 0.308 7 F C -3.158 172.350 175.800 -0.487 0.000 1.118 7 F CA -2.614 55.258 58.000 -0.212 0.000 0.959 7 F CB 1.153 40.020 39.000 -0.221 0.000 1.305 7 F HN 0.067 nan 8.300 nan 0.000 0.443 8 P HA 0.277 nan 4.420 nan 0.000 0.293 8 P C -0.943 176.130 177.300 -0.378 0.000 1.313 8 P CA -0.176 62.424 63.100 -0.834 0.000 0.787 8 P CB 1.929 33.113 31.700 -0.860 0.000 0.910 9 L N 7.242 128.219 121.223 -0.411 0.000 2.477 9 L HA 0.263 4.605 4.340 0.002 0.000 0.272 9 L C -2.319 174.513 176.870 -0.062 0.000 1.157 9 L CA -1.630 53.072 54.840 -0.228 0.000 0.889 9 L CB -0.491 41.413 42.059 -0.257 0.000 1.158 9 L HN 0.244 nan 8.230 nan 0.000 0.473 10 P HA 0.126 nan 4.420 nan 0.000 0.267 10 P C 0.453 177.862 177.300 0.182 0.000 1.209 10 P CA -0.031 63.121 63.100 0.088 0.000 0.763 10 P CB 0.569 32.366 31.700 0.161 0.000 0.816 11 T N 2.064 116.743 114.554 0.209 0.000 2.833 11 T HA -0.116 4.235 4.350 0.002 0.000 0.269 11 T C 2.043 176.902 174.700 0.265 0.000 1.054 11 T CA 1.837 64.118 62.100 0.301 0.000 1.135 11 T CB -0.742 68.291 68.868 0.275 0.000 0.869 11 T HN 0.614 nan 8.240 nan 0.000 0.466 12 G N -0.205 108.632 108.800 0.062 0.000 2.470 12 G HA2 -0.194 3.767 3.960 0.002 0.000 0.220 12 G HA3 -0.194 3.767 3.960 0.002 0.000 0.220 12 G C 1.084 175.993 174.900 0.015 0.000 1.121 12 G CA 0.242 45.316 45.100 -0.043 0.000 0.766 12 G HN 0.483 nan 8.290 nan 0.000 0.553 13 Y N -0.327 119.917 120.300 -0.095 0.000 2.403 13 Y HA 0.030 4.581 4.550 0.002 0.000 0.291 13 Y C 2.135 178.034 175.900 -0.002 0.000 1.143 13 Y CA 0.406 58.389 58.100 -0.195 0.000 1.257 13 Y CB -0.323 37.814 38.460 -0.539 0.000 0.984 13 Y HN 0.227 nan 8.280 nan 0.000 0.550 14 F N -0.741 119.322 119.950 0.187 0.000 2.373 14 F HA -0.143 4.386 4.527 0.003 0.000 0.300 14 F C 2.376 178.249 175.800 0.121 0.000 1.080 14 F CA 1.128 59.276 58.000 0.248 0.000 1.417 14 F CB -0.709 38.377 39.000 0.145 0.000 1.070 14 F HN 0.032 nan 8.300 nan 0.000 0.546 15 G N 0.132 109.051 108.800 0.199 0.000 2.448 15 G HA2 -0.197 3.764 3.960 0.002 0.000 0.219 15 G HA3 -0.197 3.764 3.960 0.002 0.000 0.219 15 G C 1.713 176.618 174.900 0.009 0.000 1.127 15 G CA 0.758 45.934 45.100 0.126 0.000 0.766 15 G HN 0.370 nan 8.290 nan 0.000 0.552 16 I N 1.521 121.955 120.570 -0.227 0.000 2.162 16 I HA -0.071 4.100 4.170 0.002 0.000 0.238 16 I C 0.097 175.993 176.117 -0.368 0.000 1.076 16 I CA 0.922 61.773 61.300 -0.749 0.000 1.353 16 I CB -0.820 36.680 38.000 -0.833 0.000 1.063 16 I HN 0.101 nan 8.210 nan 0.000 0.408 17 P HA -0.184 nan 4.420 nan 0.000 0.218 17 P C 2.041 179.332 177.300 -0.015 0.000 1.149 17 P CA 1.470 64.522 63.100 -0.079 0.000 0.817 17 P CB -0.002 31.698 31.700 -0.000 0.000 0.785 18 L N 0.004 121.230 121.223 0.005 0.000 1.970 18 L HA -0.123 4.218 4.340 0.002 0.000 0.212 18 L C 2.590 179.425 176.870 -0.058 0.000 1.071 18 L CA 2.395 57.187 54.840 -0.081 0.000 0.751 18 L CB -1.367 40.599 42.059 -0.156 0.000 0.889 18 L HN 0.004 nan 8.230 nan 0.000 0.432 19 G N -0.250 108.596 108.800 0.077 0.000 2.440 19 G HA2 -0.260 3.702 3.960 0.002 0.000 0.218 19 G HA3 -0.260 3.702 3.960 0.002 0.000 0.218 19 G C 1.544 176.571 174.900 0.212 0.000 1.154 19 G CA 1.018 46.257 45.100 0.233 0.000 0.767 19 G HN 0.392 nan 8.290 nan 0.000 0.552 20 L N 0.499 121.831 121.223 0.181 0.000 2.093 20 L HA -0.020 4.321 4.340 0.002 0.000 0.208 20 L C 3.378 180.296 176.870 0.080 0.000 1.085 20 L CA 0.939 55.862 54.840 0.138 0.000 0.755 20 L CB -0.356 41.753 42.059 0.084 0.000 0.904 20 L HN 0.322 nan 8.230 nan 0.000 0.435 21 A N -0.014 122.823 122.820 0.030 0.000 1.897 21 A HA -0.077 4.244 4.320 0.002 0.000 0.215 21 A C 2.524 180.117 177.584 0.015 0.000 1.181 21 A CA 1.465 53.495 52.037 -0.011 0.000 0.620 21 A CB -0.608 18.347 19.000 -0.075 0.000 0.821 21 A HN 0.366 nan 8.150 nan 0.000 0.443 22 A N -0.661 122.183 122.820 0.041 0.000 1.930 22 A HA -0.005 4.316 4.320 0.002 0.000 0.217 22 A C 2.095 179.762 177.584 0.139 0.000 1.175 22 A CA 1.668 53.763 52.037 0.097 0.000 0.627 22 A CB -0.515 18.576 19.000 0.152 0.000 0.815 22 A HN 0.588 nan 8.150 nan 0.000 0.443 23 L N -0.311 121.005 121.223 0.155 0.000 2.156 23 L HA -0.047 4.294 4.340 0.002 0.000 0.208 23 L C 2.608 179.658 176.870 0.300 0.000 1.095 23 L CA 2.209 57.177 54.840 0.213 0.000 0.770 23 L CB -0.623 41.558 42.059 0.203 0.000 0.914 23 L HN 0.376 nan 8.230 nan 0.000 0.439 24 S N -0.718 115.095 115.700 0.189 0.000 2.359 24 S HA -0.207 4.264 4.470 0.002 0.000 0.224 24 S C 2.043 176.741 174.600 0.162 0.000 1.035 24 S CA 1.824 60.121 58.200 0.162 0.000 1.018 24 S CB -0.413 62.819 63.200 0.053 0.000 0.876 24 S HN 0.496 nan 8.310 nan 0.000 0.448 25 L N 1.038 122.297 121.223 0.059 0.000 2.093 25 L HA -0.018 4.324 4.340 0.002 0.000 0.208 25 L C 2.994 179.826 176.870 -0.062 0.000 1.085 25 L CA 1.067 55.864 54.840 -0.072 0.000 0.755 25 L CB -0.713 41.300 42.059 -0.076 0.000 0.904 25 L HN 0.433 nan 8.230 nan 0.000 0.435 26 A N -0.466 122.449 122.820 0.159 0.000 1.902 26 A HA -0.232 4.089 4.320 0.002 0.000 0.217 26 A C 1.918 179.677 177.584 0.293 0.000 1.181 26 A CA 1.569 53.763 52.037 0.262 0.000 0.623 26 A CB -0.931 18.220 19.000 0.251 0.000 0.818 26 A HN 0.507 nan 8.150 nan 0.000 0.443 27 W N -1.615 119.840 121.300 0.259 0.000 2.436 27 W HA -0.015 4.647 4.660 0.002 0.000 0.284 27 W C 1.927 178.537 176.519 0.153 0.000 1.225 27 W CA 0.844 58.352 57.345 0.271 0.000 1.271 27 W CB -0.541 29.057 29.460 0.230 0.000 1.114 27 W HN 0.414 nan 8.180 nan 0.000 0.559 28 F N 0.406 120.435 119.950 0.132 0.000 2.154 28 F HA -0.279 4.249 4.527 0.002 0.000 0.301 28 F C 2.131 177.945 175.800 0.023 0.000 1.087 28 F CA 2.194 60.180 58.000 -0.023 0.000 1.274 28 F CB -0.728 38.145 39.000 -0.211 0.000 1.009 28 F HN 0.001 nan 8.300 nan 0.000 0.485 29 H N -0.834 118.347 119.070 0.185 0.000 2.546 29 H HA 0.038 4.596 4.556 0.003 0.000 0.277 29 H C 1.789 177.184 175.328 0.111 0.000 1.004 29 H CA 0.574 56.677 56.048 0.092 0.000 1.231 29 H CB -0.034 29.818 29.762 0.149 0.000 1.382 29 H HN 0.294 nan 8.280 nan 0.000 0.580 30 L N 0.326 121.640 121.223 0.152 0.000 2.592 30 L HA -0.003 4.338 4.340 0.002 0.000 0.227 30 L C 2.233 179.146 176.870 0.070 0.000 1.127 30 L CA 0.186 55.075 54.840 0.082 0.000 0.884 30 L CB 0.022 42.052 42.059 -0.047 0.000 1.065 30 L HN 0.370 nan 8.230 nan 0.000 0.457 31 E N 1.079 121.269 120.200 -0.017 0.000 2.085 31 E HA -0.267 4.084 4.350 0.002 0.000 0.194 31 E C 1.483 178.067 176.600 -0.026 0.000 0.994 31 E CA 1.655 58.008 56.400 -0.079 0.000 0.801 31 E CB 0.187 29.744 29.700 -0.238 0.000 0.743 31 E HN 0.415 nan 8.360 nan 0.000 0.453 32 N N -0.239 118.470 118.700 0.014 0.000 2.459 32 N HA -0.018 4.724 4.740 0.002 0.000 0.181 32 N C 1.432 176.988 175.510 0.078 0.000 1.046 32 N CA 0.553 53.631 53.050 0.048 0.000 0.904 32 N CB 0.145 38.676 38.487 0.074 0.000 0.964 32 N HN 0.250 nan 8.380 nan 0.000 0.444 33 L N -1.827 119.446 121.223 0.082 0.000 2.298 33 L HA 0.198 4.540 4.340 0.002 0.000 0.209 33 L C -0.245 176.714 176.870 0.148 0.000 1.084 33 L CA 0.327 55.200 54.840 0.056 0.000 0.816 33 L CB 0.251 42.265 42.059 -0.075 0.000 0.967 33 L HN 0.055 nan 8.230 nan 0.000 0.460 34 F N 0.575 120.501 119.950 -0.040 0.000 3.090 34 F HA 0.423 4.950 4.527 0.000 0.000 0.381 34 F C -2.407 173.408 175.800 0.025 0.000 1.231 34 F CA -2.770 55.221 58.000 -0.014 0.000 1.177 34 F CB 0.930 39.906 39.000 -0.041 0.000 1.598 34 F HN -0.237 nan 8.300 nan 0.000 0.589 35 P HA -0.192 nan 4.420 nan 0.000 0.217 35 P C 1.490 178.585 177.300 -0.340 0.000 1.151 35 P CA 2.395 65.388 63.100 -0.179 0.000 0.849 35 P CB 0.203 31.854 31.700 -0.082 0.000 0.787 36 A N -0.466 121.962 122.820 -0.653 0.000 2.178 36 A HA -0.039 4.282 4.320 0.002 0.000 0.218 36 A C 2.195 179.460 177.584 -0.532 0.000 1.157 36 A CA 1.548 53.224 52.037 -0.602 0.000 0.689 36 A CB -1.315 17.302 19.000 -0.638 0.000 0.787 36 A HN 0.203 nan 8.150 nan 0.000 0.465 37 A N 0.140 122.615 122.820 -0.576 0.000 1.972 37 A HA -0.132 4.189 4.320 0.002 0.000 0.219 37 A C 2.128 179.760 177.584 0.079 0.000 1.169 37 A CA 1.902 53.972 52.037 0.055 0.000 0.635 37 A CB -0.382 18.788 19.000 0.283 0.000 0.810 37 A HN 0.472 nan 8.150 nan 0.000 0.446 38 R N -0.632 119.845 120.500 -0.037 0.000 2.081 38 R HA -0.117 4.225 4.340 0.002 0.000 0.235 38 R C 1.949 178.265 176.300 0.026 0.000 1.131 38 R CA 2.128 58.235 56.100 0.012 0.000 0.960 38 R CB -0.658 29.625 30.300 -0.028 0.000 0.856 38 R HN 0.456 nan 8.270 nan 0.000 0.436 39 M N -0.420 119.158 119.600 -0.037 0.000 2.117 39 M HA -0.081 4.400 4.480 0.002 0.000 0.262 39 M C 1.687 177.938 176.300 -0.081 0.000 1.065 39 M CA 1.655 56.933 55.300 -0.036 0.000 1.114 39 M CB -0.297 32.264 32.600 -0.065 0.000 1.361 39 M HN 0.030 nan 8.290 nan 0.000 0.408 40 V N -0.693 119.112 119.914 -0.181 0.000 2.295 40 V HA -0.240 3.881 4.120 0.002 0.000 0.246 40 V C 2.517 178.457 176.094 -0.257 0.000 1.049 40 V CA 2.010 64.084 62.300 -0.377 0.000 1.024 40 V CB -1.357 29.941 31.823 -0.875 0.000 0.648 40 V HN 0.688 nan 8.190 nan 0.000 0.447 41 S N -0.099 115.570 115.700 -0.051 0.000 2.359 41 S HA -0.280 4.192 4.470 0.002 0.000 0.223 41 S C 1.795 176.445 174.600 0.082 0.000 1.039 41 S CA 2.154 60.418 58.200 0.107 0.000 1.042 41 S CB -0.518 62.844 63.200 0.271 0.000 0.915 41 S HN 0.662 nan 8.310 nan 0.000 0.439 42 D N 0.512 120.981 120.400 0.115 0.000 2.123 42 D HA -0.069 4.572 4.640 0.002 0.000 0.196 42 D C 2.115 178.519 176.300 0.173 0.000 0.992 42 D CA 1.184 55.318 54.000 0.224 0.000 0.833 42 D CB -0.706 40.277 40.800 0.305 0.000 0.954 42 D HN 0.312 nan 8.370 nan 0.000 0.455 43 V N 1.007 120.957 119.914 0.059 0.000 2.295 43 V HA -0.218 3.903 4.120 0.002 0.000 0.246 43 V C 2.676 178.776 176.094 0.010 0.000 1.049 43 V CA 1.174 63.483 62.300 0.015 0.000 1.024 43 V CB -0.511 31.286 31.823 -0.044 0.000 0.648 43 V HN 0.190 nan 8.190 nan 0.000 0.447 44 L N 0.346 121.557 121.223 -0.019 0.000 2.042 44 L HA -0.134 4.207 4.340 0.002 0.000 0.210 44 L C 2.601 179.493 176.870 0.037 0.000 1.076 44 L CA 1.845 56.685 54.840 -0.000 0.000 0.749 44 L CB -1.097 40.956 42.059 -0.010 0.000 0.893 44 L HN 0.486 nan 8.230 nan 0.000 0.432 45 G N -0.073 108.767 108.800 0.067 0.000 2.408 45 G HA2 -0.175 3.786 3.960 0.002 0.000 0.217 45 G HA3 -0.175 3.786 3.960 0.002 0.000 0.217 45 G C 1.589 176.565 174.900 0.126 0.000 1.150 45 G CA 0.507 45.657 45.100 0.084 0.000 0.776 45 G HN 0.269 nan 8.290 nan 0.000 0.542 46 I N 0.372 121.032 120.570 0.150 0.000 2.252 46 I HA -0.139 4.032 4.170 0.002 0.000 0.245 46 I C 2.768 178.907 176.117 0.037 0.000 1.102 46 I CA 0.433 61.787 61.300 0.089 0.000 1.385 46 I CB -0.168 37.856 38.000 0.040 0.000 1.064 46 I HN 0.015 nan 8.210 nan 0.000 0.414 47 V N 1.002 120.928 119.914 0.020 0.000 2.295 47 V HA -0.317 3.804 4.120 0.002 0.000 0.246 47 V C 2.696 178.779 176.094 -0.019 0.000 1.049 47 V CA 2.089 64.383 62.300 -0.010 0.000 1.024 47 V CB -1.073 30.742 31.823 -0.013 0.000 0.648 47 V HN 0.506 nan 8.190 nan 0.000 0.447 48 A N -0.659 122.160 122.820 -0.001 0.000 1.933 48 A HA -0.193 4.129 4.320 0.002 0.000 0.218 48 A C 2.483 180.085 177.584 0.030 0.000 1.175 48 A CA 2.179 54.208 52.037 -0.012 0.000 0.628 48 A CB -0.631 18.366 19.000 -0.006 0.000 0.814 48 A HN 0.499 nan 8.150 nan 0.000 0.444 49 S N -0.278 115.456 115.700 0.058 0.000 2.368 49 S HA 0.006 4.477 4.470 0.002 0.000 0.224 49 S C 2.317 177.028 174.600 0.185 0.000 1.029 49 S CA 1.077 59.358 58.200 0.135 0.000 0.988 49 S CB -0.411 62.857 63.200 0.115 0.000 0.838 49 S HN 0.783 nan 8.310 nan 0.000 0.462 50 A N 1.133 123.996 122.820 0.071 0.000 1.877 50 A HA -0.055 4.266 4.320 0.002 0.000 0.216 50 A C 2.325 179.882 177.584 -0.045 0.000 1.186 50 A CA 1.555 53.605 52.037 0.022 0.000 0.620 50 A CB -0.925 18.065 19.000 -0.017 0.000 0.822 50 A HN 0.342 nan 8.150 nan 0.000 0.443 51 V N -2.021 117.815 119.914 -0.131 0.000 2.343 51 V HA -0.259 3.863 4.120 0.002 0.000 0.247 51 V C 2.180 178.007 176.094 -0.444 0.000 1.051 51 V CA 1.882 63.940 62.300 -0.402 0.000 1.036 51 V CB -1.005 30.516 31.823 -0.505 0.000 0.654 51 V HN 0.864 nan 8.190 nan 0.000 0.451 52 W N 0.775 121.893 121.300 -0.303 0.000 2.335 52 W HA -0.223 4.438 4.660 0.002 0.000 0.311 52 W C 2.189 178.708 176.519 0.000 0.000 1.213 52 W CA 2.008 59.287 57.345 -0.109 0.000 1.274 52 W CB -0.345 29.118 29.460 0.006 0.000 1.148 52 W HN 0.191 nan 8.180 nan 0.000 0.498 53 I N 0.275 120.832 120.570 -0.022 0.000 2.151 53 I HA -0.346 3.825 4.170 0.002 0.000 0.243 53 I C 2.461 178.470 176.117 -0.180 0.000 1.080 53 I CA 1.634 62.809 61.300 -0.208 0.000 1.339 53 I CB -0.981 37.020 38.000 0.002 0.000 1.039 53 I HN 0.118 nan 8.210 nan 0.000 0.409 54 L N 0.250 121.412 121.223 -0.100 0.000 2.017 54 L HA -0.222 4.120 4.340 0.002 0.000 0.208 54 L C 2.219 179.156 176.870 0.111 0.000 1.073 54 L CA 2.031 56.869 54.840 -0.004 0.000 0.745 54 L CB -0.719 41.349 42.059 0.016 0.000 0.894 54 L HN 0.040 nan 8.230 nan 0.000 0.432 55 F N -0.517 119.301 119.950 -0.220 0.000 2.186 55 F HA -0.132 4.396 4.527 0.002 0.000 0.299 55 F C 2.498 178.220 175.800 -0.130 0.000 1.090 55 F CA 0.470 58.263 58.000 -0.346 0.000 1.307 55 F CB -0.887 37.590 39.000 -0.873 0.000 1.019 55 F HN 0.059 nan 8.300 nan 0.000 0.489 56 I N -0.173 120.402 120.570 0.009 0.000 2.179 56 I HA -0.277 3.894 4.170 0.002 0.000 0.242 56 I C 2.505 178.653 176.117 0.051 0.000 1.088 56 I CA 1.217 62.519 61.300 0.003 0.000 1.357 56 I CB -1.270 36.431 38.000 -0.498 0.000 1.051 56 I HN 0.130 nan 8.210 nan 0.000 0.409 57 L N -0.319 120.894 121.223 -0.016 0.000 2.012 57 L HA -0.253 4.088 4.340 0.002 0.000 0.210 57 L C 2.731 179.633 176.870 0.053 0.000 1.073 57 L CA 1.479 56.330 54.840 0.018 0.000 0.748 57 L CB -0.507 41.545 42.059 -0.012 0.000 0.891 57 L HN 0.207 nan 8.230 nan 0.000 0.431 58 M N -1.860 117.750 119.600 0.017 0.000 2.159 58 M HA -0.259 4.223 4.480 0.002 0.000 0.263 58 M C 2.342 178.663 176.300 0.034 0.000 1.063 58 M CA 1.885 57.138 55.300 -0.078 0.000 1.110 58 M CB -0.511 31.963 32.600 -0.211 0.000 1.374 58 M HN 0.146 nan 8.290 nan 0.000 0.411 59 Y N 0.625 120.956 120.300 0.051 0.000 2.314 59 Y HA -0.086 4.465 4.550 0.002 0.000 0.293 59 Y C 2.464 178.426 175.900 0.104 0.000 1.129 59 Y CA 1.289 59.453 58.100 0.108 0.000 1.201 59 Y CB -0.219 38.377 38.460 0.227 0.000 0.999 59 Y HN 0.173 nan 8.280 nan 0.000 0.541 60 A N -0.865 122.071 122.820 0.193 0.000 1.933 60 A HA -0.269 4.052 4.320 0.002 0.000 0.218 60 A C 2.055 179.694 177.584 0.092 0.000 1.175 60 A CA 1.735 53.841 52.037 0.115 0.000 0.628 60 A CB -1.414 17.643 19.000 0.096 0.000 0.814 60 A HN 0.675 nan 8.150 nan 0.000 0.444 61 Y N 0.363 120.667 120.300 0.007 0.000 2.224 61 Y HA -0.195 4.357 4.550 0.003 0.000 0.289 61 Y C 2.417 178.380 175.900 0.105 0.000 1.146 61 Y CA 2.272 60.421 58.100 0.083 0.000 1.182 61 Y CB -0.096 38.393 38.460 0.049 0.000 0.983 61 Y HN 0.311 nan 8.280 nan 0.000 0.524 62 K N 0.131 120.613 120.400 0.137 0.000 2.057 62 K HA -0.181 4.140 4.320 0.002 0.000 0.207 62 K C 1.935 178.519 176.600 -0.026 0.000 1.049 62 K CA 1.678 57.978 56.287 0.022 0.000 0.931 62 K CB -0.325 31.957 32.500 -0.362 0.000 0.714 62 K HN 0.404 nan 8.250 nan 0.000 0.440 63 L N 0.362 121.518 121.223 -0.112 0.000 2.141 63 L HA -0.138 4.203 4.340 0.002 0.000 0.209 63 L C 2.656 179.526 176.870 0.001 0.000 1.094 63 L CA 0.913 55.769 54.840 0.026 0.000 0.763 63 L CB -0.230 41.858 42.059 0.048 0.000 0.908 63 L HN 0.144 nan 8.230 nan 0.000 0.437 64 R N -0.564 119.816 120.500 -0.201 0.000 2.080 64 R HA -0.114 4.227 4.340 0.002 0.000 0.222 64 R C 1.522 177.407 176.300 -0.692 0.000 1.107 64 R CA 1.702 57.486 56.100 -0.526 0.000 0.980 64 R CB -0.283 29.552 30.300 -0.776 0.000 0.879 64 R HN 0.277 nan 8.270 nan 0.000 0.439 65 Y N -2.343 117.807 120.300 -0.250 0.000 2.442 65 Y HA 0.274 4.826 4.550 0.002 0.000 0.250 65 Y C -0.035 175.629 175.900 -0.394 0.000 1.113 65 Y CA -0.151 57.720 58.100 -0.381 0.000 1.273 65 Y CB 0.567 38.633 38.460 -0.657 0.000 1.138 65 Y HN -0.035 nan 8.280 nan 0.000 0.522 66 Y N -1.934 118.378 120.300 0.021 0.000 2.666 66 Y HA 0.149 4.700 4.550 0.003 0.000 0.264 66 Y C 1.057 176.966 175.900 0.014 0.000 1.054 66 Y CA -1.093 57.022 58.100 0.024 0.000 1.121 66 Y CB -0.358 38.102 38.460 -0.001 0.000 1.190 66 Y HN 0.019 nan 8.280 nan 0.000 0.587 67 F N 1.532 121.486 119.950 0.007 0.000 2.126 67 F HA -0.211 4.317 4.527 0.002 0.000 0.299 67 F C 1.963 177.780 175.800 0.028 0.000 1.096 67 F CA 1.923 59.911 58.000 -0.019 0.000 1.255 67 F CB 0.276 39.240 39.000 -0.060 0.000 0.997 67 F HN 0.098 nan 8.300 nan 0.000 0.479 68 E N 0.264 120.485 120.200 0.034 0.000 2.209 68 E HA -0.265 4.087 4.350 0.002 0.000 0.196 68 E C 2.109 178.684 176.600 -0.042 0.000 0.993 68 E CA 1.284 57.671 56.400 -0.022 0.000 0.819 68 E CB -0.524 29.220 29.700 0.073 0.000 0.745 68 E HN 0.674 nan 8.360 nan 0.000 0.477 69 E N 0.561 120.762 120.200 0.002 0.000 2.106 69 E HA -0.115 4.237 4.350 0.002 0.000 0.192 69 E C 2.019 178.598 176.600 -0.036 0.000 0.984 69 E CA 0.849 57.260 56.400 0.018 0.000 0.806 69 E CB 0.273 30.008 29.700 0.059 0.000 0.750 69 E HN 0.014 nan 8.360 nan 0.000 0.458 70 V N 1.306 121.130 119.914 -0.150 0.000 2.358 70 V HA -0.205 3.917 4.120 0.002 0.000 0.246 70 V C 2.607 178.589 176.094 -0.187 0.000 1.047 70 V CA 1.909 64.114 62.300 -0.158 0.000 1.035 70 V CB -0.625 31.028 31.823 -0.283 0.000 0.658 70 V HN 0.281 nan 8.190 nan 0.000 0.452 71 R N 0.339 120.589 120.500 -0.417 0.000 2.081 71 R HA -0.179 4.163 4.340 0.002 0.000 0.235 71 R C 2.293 178.623 176.300 0.050 0.000 1.131 71 R CA 1.765 57.711 56.100 -0.257 0.000 0.960 71 R CB -0.410 29.736 30.300 -0.256 0.000 0.856 71 R HN 0.490 nan 8.270 nan 0.000 0.436 72 A N 1.706 124.562 122.820 0.060 0.000 1.898 72 A HA -0.215 4.107 4.320 0.002 0.000 0.216 72 A C 1.964 179.645 177.584 0.162 0.000 1.181 72 A CA 1.686 53.804 52.037 0.135 0.000 0.620 72 A CB -0.522 18.540 19.000 0.103 0.000 0.819 72 A HN 0.709 nan 8.150 nan 0.000 0.442 73 E N -1.651 118.641 120.200 0.153 0.000 2.072 73 E HA -0.272 4.079 4.350 0.002 0.000 0.191 73 E C 1.950 178.702 176.600 0.253 0.000 0.985 73 E CA 1.457 57.981 56.400 0.208 0.000 0.801 73 E CB -0.664 29.165 29.700 0.215 0.000 0.750 73 E HN 0.678 nan 8.360 nan 0.000 0.452 74 Y N 1.575 121.925 120.300 0.083 0.000 2.128 74 Y HA -0.245 4.306 4.550 0.002 0.000 0.284 74 Y C 2.133 178.002 175.900 -0.052 0.000 1.154 74 Y CA 2.244 60.365 58.100 0.036 0.000 1.149 74 Y CB -0.098 38.275 38.460 -0.146 0.000 0.976 74 Y HN 0.141 nan 8.280 nan 0.000 0.505 75 H N -0.951 118.221 119.070 0.170 0.000 2.548 75 H HA 0.109 4.667 4.556 0.002 0.000 0.268 75 H C 0.982 176.314 175.328 0.007 0.000 0.975 75 H CA 0.772 56.839 56.048 0.032 0.000 1.195 75 H CB -0.240 29.590 29.762 0.113 0.000 1.397 75 H HN 0.133 nan 8.280 nan 0.000 0.572 76 S N 3.007 118.810 115.700 0.173 0.000 2.533 76 S HA 0.021 4.493 4.470 0.002 0.000 0.282 76 S C -1.204 173.509 174.600 0.188 0.000 1.304 76 S CA -1.218 57.076 58.200 0.157 0.000 1.063 76 S CB 1.093 64.399 63.200 0.177 0.000 0.881 76 S HN 0.147 nan 8.310 nan 0.000 0.493 77 P HA 0.024 nan 4.420 nan 0.000 0.237 77 P C 0.960 178.457 177.300 0.329 0.000 1.178 77 P CA 0.399 63.620 63.100 0.202 0.000 0.766 77 P CB 0.170 31.938 31.700 0.112 0.000 0.876 78 V N 0.285 120.287 119.914 0.146 0.000 2.743 78 V HA 0.116 4.238 4.120 0.002 0.000 0.237 78 V C 2.568 178.684 176.094 0.037 0.000 1.113 78 V CA 0.816 63.103 62.300 -0.022 0.000 1.141 78 V CB -0.611 31.026 31.823 -0.311 0.000 0.873 78 V HN -0.045 nan 8.190 nan 0.000 0.486 79 R N 0.560 121.165 120.500 0.175 0.000 2.235 79 R HA -0.053 4.288 4.340 0.002 0.000 0.213 79 R C 2.246 178.684 176.300 0.230 0.000 1.059 79 R CA 1.435 57.710 56.100 0.291 0.000 0.997 79 R CB -0.439 30.048 30.300 0.311 0.000 0.884 79 R HN 0.714 nan 8.270 nan 0.000 0.462 80 F N 0.331 120.336 119.950 0.091 0.000 2.202 80 F HA -0.120 4.408 4.527 0.003 0.000 0.301 80 F C 1.906 177.804 175.800 0.163 0.000 1.082 80 F CA 0.994 59.057 58.000 0.106 0.000 1.313 80 F CB -0.600 38.346 39.000 -0.091 0.000 1.024 80 F HN -0.222 nan 8.300 nan 0.000 0.495 81 S N 0.734 115.775 115.700 -1.098 0.000 2.400 81 S HA -0.145 4.326 4.470 0.002 0.000 0.232 81 S C 1.545 175.811 174.600 -0.557 0.000 1.025 81 S CA 1.471 59.051 58.200 -1.035 0.000 0.993 81 S CB -0.784 61.749 63.200 -1.112 0.000 0.808 81 S HN 0.435 nan 8.310 nan 0.000 0.478 82 F N 1.295 121.150 119.950 -0.160 0.000 2.365 82 F HA 0.103 4.631 4.527 0.002 0.000 0.300 82 F C 1.847 177.548 175.800 -0.165 0.000 1.090 82 F CA 0.118 58.066 58.000 -0.085 0.000 1.408 82 F CB -0.708 38.297 39.000 0.008 0.000 1.060 82 F HN 0.165 nan 8.300 nan 0.000 0.534 83 I N -0.027 120.500 120.570 -0.072 0.000 2.454 83 I HA -0.302 3.870 4.170 0.002 0.000 0.254 83 I C 2.531 178.304 176.117 -0.574 0.000 1.156 83 I CA 1.052 62.157 61.300 -0.324 0.000 1.433 83 I CB -0.631 37.205 38.000 -0.274 0.000 1.082 83 I HN 0.110 nan 8.210 nan 0.000 0.432 84 A N 0.714 123.217 122.820 -0.528 0.000 2.125 84 A HA -0.127 4.194 4.320 0.002 0.000 0.219 84 A C 2.240 179.665 177.584 -0.265 0.000 1.156 84 A CA 1.080 52.859 52.037 -0.430 0.000 0.671 84 A CB -0.708 18.166 19.000 -0.209 0.000 0.794 84 A HN 0.424 nan 8.150 nan 0.000 0.459 85 L N -0.694 120.403 121.223 -0.210 0.000 2.127 85 L HA -0.213 4.128 4.340 0.002 0.000 0.211 85 L C 2.336 179.053 176.870 -0.255 0.000 1.089 85 L CA 1.089 55.852 54.840 -0.127 0.000 0.757 85 L CB -0.563 41.514 42.059 0.029 0.000 0.899 85 L HN 0.422 nan 8.230 nan 0.000 0.434 86 I N 0.128 120.384 120.570 -0.523 0.000 2.113 86 I HA -0.181 3.991 4.170 0.002 0.000 0.238 86 I C -0.242 175.743 176.117 -0.219 0.000 1.070 86 I CA 1.389 62.306 61.300 -0.637 0.000 1.332 86 I CB -1.533 35.946 38.000 -0.868 0.000 1.044 86 I HN 0.208 nan 8.210 nan 0.000 0.402 87 P HA -0.089 nan 4.420 nan 0.000 0.221 87 P C 1.891 179.144 177.300 -0.078 0.000 1.150 87 P CA 1.491 64.535 63.100 -0.093 0.000 0.800 87 P CB -0.012 31.629 31.700 -0.099 0.000 0.787 88 I N 0.047 120.564 120.570 -0.089 0.000 2.179 88 I HA -0.207 3.964 4.170 0.002 0.000 0.242 88 I C 2.223 178.282 176.117 -0.096 0.000 1.088 88 I CA 1.840 63.099 61.300 -0.068 0.000 1.357 88 I CB -1.239 36.734 38.000 -0.045 0.000 1.051 88 I HN -0.023 nan 8.210 nan 0.000 0.409 89 T N -0.331 114.188 114.554 -0.058 0.000 2.867 89 T HA -0.143 4.209 4.350 0.002 0.000 0.268 89 T C 1.876 176.403 174.700 -0.288 0.000 1.057 89 T CA 1.785 63.846 62.100 -0.064 0.000 1.136 89 T CB -0.372 68.647 68.868 0.252 0.000 0.874 89 T HN 0.356 nan 8.240 nan 0.000 0.466 90 T N 2.398 116.872 114.554 -0.134 0.000 2.746 90 T HA -0.015 4.336 4.350 0.002 0.000 0.267 90 T C 2.057 176.559 174.700 -0.329 0.000 1.039 90 T CA 1.144 63.091 62.100 -0.255 0.000 1.142 90 T CB -0.347 68.597 68.868 0.127 0.000 0.866 90 T HN 0.349 nan 8.240 nan 0.000 0.444 91 M N 0.429 119.904 119.600 -0.208 0.000 2.117 91 M HA 0.004 4.485 4.480 0.002 0.000 0.262 91 M C 2.240 178.401 176.300 -0.231 0.000 1.065 91 M CA 1.533 56.709 55.300 -0.207 0.000 1.114 91 M CB -0.609 31.888 32.600 -0.172 0.000 1.361 91 M HN 0.194 nan 8.290 nan 0.000 0.408 92 L N -0.680 120.407 121.223 -0.228 0.000 2.093 92 L HA -0.152 4.190 4.340 0.002 0.000 0.208 92 L C 2.439 179.153 176.870 -0.261 0.000 1.085 92 L CA 0.680 55.398 54.840 -0.203 0.000 0.755 92 L CB -0.671 41.289 42.059 -0.164 0.000 0.904 92 L HN 0.118 nan 8.230 nan 0.000 0.435 93 V N 0.336 120.007 119.914 -0.405 0.000 2.343 93 V HA -0.216 3.906 4.120 0.002 0.000 0.247 93 V C 2.655 178.561 176.094 -0.314 0.000 1.051 93 V CA 2.012 64.043 62.300 -0.448 0.000 1.036 93 V CB -1.257 30.014 31.823 -0.921 0.000 0.654 93 V HN 0.572 nan 8.190 nan 0.000 0.451 94 G N -0.261 108.357 108.800 -0.303 0.000 2.440 94 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 94 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 94 G C 1.203 176.026 174.900 -0.129 0.000 1.154 94 G CA 1.174 46.173 45.100 -0.169 0.000 0.767 94 G HN 0.510 nan 8.290 nan 0.000 0.552 95 D N 0.502 120.791 120.400 -0.185 0.000 2.123 95 D HA -0.078 4.563 4.640 0.002 0.000 0.196 95 D C 2.504 178.660 176.300 -0.240 0.000 0.992 95 D CA 0.503 54.378 54.000 -0.208 0.000 0.833 95 D CB -0.208 40.466 40.800 -0.210 0.000 0.954 95 D HN 0.390 nan 8.370 nan 0.000 0.455 96 I N 0.356 120.782 120.570 -0.240 0.000 2.142 96 I HA -0.229 3.943 4.170 0.002 0.000 0.240 96 I C 2.268 178.210 176.117 -0.291 0.000 1.078 96 I CA 0.780 61.899 61.300 -0.301 0.000 1.343 96 I CB -0.171 37.726 38.000 -0.172 0.000 1.046 96 I HN -0.004 nan 8.210 nan 0.000 0.405 97 L N -0.643 120.527 121.223 -0.088 0.000 2.265 97 L HA -0.246 4.095 4.340 0.002 0.000 0.215 97 L C 2.557 179.433 176.870 0.010 0.000 1.117 97 L CA 1.111 55.997 54.840 0.076 0.000 0.782 97 L CB -0.753 41.369 42.059 0.105 0.000 0.914 97 L HN 0.304 nan 8.230 nan 0.000 0.441 98 Y N 1.836 122.025 120.300 -0.185 0.000 2.315 98 Y HA -0.285 4.266 4.550 0.002 0.000 0.288 98 Y C 2.770 178.549 175.900 -0.201 0.000 1.154 98 Y CA 1.667 59.672 58.100 -0.159 0.000 1.229 98 Y CB -0.163 38.187 38.460 -0.183 0.000 0.980 98 Y HN 0.200 nan 8.280 nan 0.000 0.540 99 R N -1.520 118.786 120.500 -0.323 0.000 2.189 99 R HA -0.147 4.194 4.340 0.002 0.000 0.223 99 R C 1.265 177.322 176.300 -0.405 0.000 1.092 99 R CA 1.524 57.353 56.100 -0.451 0.000 0.989 99 R CB -0.718 29.115 30.300 -0.777 0.000 0.876 99 R HN 0.371 nan 8.270 nan 0.000 0.457 100 W N -0.034 121.221 121.300 -0.076 0.000 2.866 100 W HA 0.317 4.978 4.660 0.001 0.000 0.258 100 W C 0.344 176.808 176.519 -0.092 0.000 1.183 100 W CA -0.418 56.890 57.345 -0.062 0.000 1.451 100 W CB 0.150 29.587 29.460 -0.038 0.000 0.959 100 W HN 0.034 nan 8.180 nan 0.000 0.622 101 N N 0.246 118.995 118.700 0.082 0.000 2.732 101 N HA 0.151 4.893 4.740 0.002 0.000 0.247 101 N C -2.498 172.960 175.510 -0.088 0.000 1.305 101 N CA -1.143 51.913 53.050 0.010 0.000 0.762 101 N CB 1.538 40.071 38.487 0.075 0.000 1.361 101 N HN -0.327 nan 8.380 nan 0.000 0.545 102 P HA -0.025 nan 4.420 nan 0.000 0.221 102 P C 1.555 178.849 177.300 -0.009 0.000 1.145 102 P CA 0.765 63.659 63.100 -0.344 0.000 0.795 102 P CB 0.562 31.909 31.700 -0.588 0.000 0.775 103 L N -1.582 119.649 121.223 0.012 0.000 2.072 103 L HA -0.095 4.247 4.340 0.002 0.000 0.205 103 L C 2.384 179.311 176.870 0.096 0.000 1.079 103 L CA 1.325 56.210 54.840 0.074 0.000 0.752 103 L CB -0.836 41.259 42.059 0.059 0.000 0.906 103 L HN -0.052 nan 8.230 nan 0.000 0.436 104 I N 0.384 121.001 120.570 0.077 0.000 2.226 104 I HA -0.267 3.905 4.170 0.002 0.000 0.245 104 I C 2.878 179.049 176.117 0.091 0.000 1.100 104 I CA 1.119 62.471 61.300 0.088 0.000 1.374 104 I CB -0.425 37.624 38.000 0.083 0.000 1.057 104 I HN 0.191 nan 8.210 nan 0.000 0.413 105 A N 0.466 123.340 122.820 0.091 0.000 1.883 105 A HA -0.305 4.017 4.320 0.002 0.000 0.217 105 A C 2.288 179.922 177.584 0.084 0.000 1.186 105 A CA 2.239 54.332 52.037 0.093 0.000 0.624 105 A CB -0.704 18.411 19.000 0.192 0.000 0.822 105 A HN 0.517 nan 8.150 nan 0.000 0.444 106 E N -0.407 119.881 120.200 0.148 0.000 2.106 106 E HA -0.115 4.236 4.350 0.002 0.000 0.192 106 E C 1.841 178.567 176.600 0.210 0.000 0.984 106 E CA 1.258 57.751 56.400 0.156 0.000 0.806 106 E CB -0.147 29.721 29.700 0.279 0.000 0.750 106 E HN 0.304 nan 8.360 nan 0.000 0.458 107 V N 1.275 121.310 119.914 0.202 0.000 2.287 107 V HA -0.294 3.827 4.120 0.002 0.000 0.248 107 V C 2.445 178.632 176.094 0.155 0.000 1.053 107 V CA 1.719 64.141 62.300 0.204 0.000 1.027 107 V CB -0.482 31.431 31.823 0.150 0.000 0.646 107 V HN 0.372 nan 8.190 nan 0.000 0.447 108 L N -0.838 120.437 121.223 0.087 0.000 2.046 108 L HA -0.190 4.151 4.340 0.002 0.000 0.208 108 L C 2.383 179.235 176.870 -0.030 0.000 1.077 108 L CA 1.662 56.524 54.840 0.036 0.000 0.747 108 L CB -0.537 41.499 42.059 -0.038 0.000 0.896 108 L HN 0.278 nan 8.230 nan 0.000 0.432 109 I N -1.278 119.229 120.570 -0.105 0.000 2.163 109 I HA -0.315 3.856 4.170 0.002 0.000 0.243 109 I C 2.322 178.284 176.117 -0.259 0.000 1.085 109 I CA 1.909 63.058 61.300 -0.251 0.000 1.347 109 I CB -0.334 37.432 38.000 -0.390 0.000 1.044 109 I HN 0.300 nan 8.210 nan 0.000 0.408 110 W N 0.686 121.954 121.300 -0.053 0.000 2.388 110 W HA -0.116 4.545 4.660 0.003 0.000 0.294 110 W C 2.446 178.943 176.519 -0.036 0.000 1.212 110 W CA 0.512 57.821 57.345 -0.060 0.000 1.271 110 W CB -0.288 29.146 29.460 -0.043 0.000 1.126 110 W HN 0.032 nan 8.180 nan 0.000 0.535 111 I N 0.105 120.796 120.570 0.201 0.000 2.226 111 I HA -0.215 3.957 4.170 0.002 0.000 0.245 111 I C 2.694 178.861 176.117 0.083 0.000 1.100 111 I CA 1.629 63.011 61.300 0.137 0.000 1.374 111 I CB -1.117 36.960 38.000 0.129 0.000 1.057 111 I HN 0.077 nan 8.210 nan 0.000 0.413 112 G N -0.163 108.656 108.800 0.030 0.000 2.422 112 G HA2 -0.208 3.753 3.960 0.002 0.000 0.218 112 G HA3 -0.208 3.753 3.960 0.002 0.000 0.218 112 G C 1.659 176.534 174.900 -0.041 0.000 1.146 112 G CA 1.340 46.429 45.100 -0.019 0.000 0.769 112 G HN 0.272 nan 8.290 nan 0.000 0.547 113 T N 1.278 115.785 114.554 -0.079 0.000 2.701 113 T HA -0.008 4.343 4.350 0.002 0.000 0.263 113 T C 2.424 177.149 174.700 0.041 0.000 1.040 113 T CA 0.939 62.959 62.100 -0.133 0.000 1.147 113 T CB -0.161 68.523 68.868 -0.307 0.000 0.865 113 T HN 0.236 nan 8.240 nan 0.000 0.426 114 I N 1.212 121.860 120.570 0.130 0.000 2.226 114 I HA -0.114 4.058 4.170 0.002 0.000 0.245 114 I C 2.886 179.078 176.117 0.126 0.000 1.100 114 I CA 1.331 62.724 61.300 0.155 0.000 1.374 114 I CB -0.770 37.321 38.000 0.152 0.000 1.057 114 I HN 0.312 nan 8.210 nan 0.000 0.413 115 G N 1.041 109.900 108.800 0.099 0.000 2.418 115 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 115 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 115 G C 1.542 176.514 174.900 0.121 0.000 1.158 115 G CA 1.096 46.253 45.100 0.094 0.000 0.771 115 G HN 0.529 nan 8.290 nan 0.000 0.545 116 Q N -0.072 119.782 119.800 0.090 0.000 2.123 116 Q HA 0.117 4.459 4.340 0.002 0.000 0.199 116 Q C 2.248 178.364 176.000 0.193 0.000 0.966 116 Q CA 1.209 57.086 55.803 0.123 0.000 0.845 116 Q CB -0.632 28.136 28.738 0.050 0.000 0.907 116 Q HN 0.354 nan 8.270 nan 0.000 0.439 117 L N -0.156 121.176 121.223 0.182 0.000 2.056 117 L HA 0.009 4.350 4.340 0.002 0.000 0.207 117 L C 2.040 178.991 176.870 0.136 0.000 1.078 117 L CA 1.411 56.364 54.840 0.188 0.000 0.749 117 L CB -0.738 41.478 42.059 0.262 0.000 0.901 117 L HN 0.441 nan 8.230 nan 0.000 0.433 118 L N -1.252 120.059 121.223 0.146 0.000 2.017 118 L HA -0.199 4.142 4.340 0.002 0.000 0.208 118 L C 2.316 179.273 176.870 0.144 0.000 1.073 118 L CA 1.834 56.748 54.840 0.123 0.000 0.745 118 L CB -1.010 41.126 42.059 0.129 0.000 0.894 118 L HN 0.336 nan 8.230 nan 0.000 0.432 119 F N 0.002 119.988 119.950 0.060 0.000 2.043 119 F HA -0.269 4.260 4.527 0.003 0.000 0.297 119 F C 2.565 178.384 175.800 0.031 0.000 1.121 119 F CA 2.140 60.187 58.000 0.078 0.000 1.199 119 F CB -0.724 38.320 39.000 0.073 0.000 0.968 119 F HN 0.124 nan 8.300 nan 0.000 0.478 120 S N -0.766 114.940 115.700 0.011 0.000 2.368 120 S HA -0.174 4.298 4.470 0.002 0.000 0.224 120 S C 1.958 176.428 174.600 -0.216 0.000 1.029 120 S CA 1.617 59.729 58.200 -0.147 0.000 0.988 120 S CB -0.633 62.542 63.200 -0.042 0.000 0.838 120 S HN 0.479 nan 8.310 nan 0.000 0.462 121 T N 2.714 117.191 114.554 -0.128 0.000 2.759 121 T HA -0.008 4.343 4.350 0.002 0.000 0.269 121 T C 1.682 176.270 174.700 -0.187 0.000 1.042 121 T CA 1.014 63.025 62.100 -0.148 0.000 1.140 121 T CB -0.341 68.488 68.868 -0.065 0.000 0.864 121 T HN 0.250 nan 8.240 nan 0.000 0.455 122 L N -0.300 120.824 121.223 -0.166 0.000 2.068 122 L HA 0.061 4.403 4.340 0.002 0.000 0.204 122 L C 2.776 179.472 176.870 -0.290 0.000 1.076 122 L CA 1.125 55.873 54.840 -0.152 0.000 0.753 122 L CB -0.198 41.844 42.059 -0.028 0.000 0.910 122 L HN 0.053 nan 8.230 nan 0.000 0.439 123 R N -0.772 119.431 120.500 -0.494 0.000 2.123 123 R HA 0.040 4.381 4.340 0.002 0.000 0.209 123 R C 1.977 177.862 176.300 -0.692 0.000 1.078 123 R CA 0.735 56.399 56.100 -0.727 0.000 1.028 123 R CB -0.407 29.189 30.300 -1.173 0.000 0.939 123 R HN -0.020 nan 8.270 nan 0.000 0.463 124 V N 1.119 120.711 119.914 -0.537 0.000 2.343 124 V HA -0.226 3.896 4.120 0.002 0.000 0.247 124 V C 2.208 177.985 176.094 -0.528 0.000 1.051 124 V CA 2.101 64.169 62.300 -0.387 0.000 1.036 124 V CB -0.550 31.116 31.823 -0.261 0.000 0.654 124 V HN 0.589 nan 8.190 nan 0.000 0.451 125 S N -0.079 115.239 115.700 -0.636 0.000 2.383 125 S HA -0.255 4.216 4.470 0.002 0.000 0.227 125 S C 1.941 176.182 174.600 -0.598 0.000 1.026 125 S CA 1.602 59.253 58.200 -0.916 0.000 0.981 125 S CB -0.480 62.306 63.200 -0.690 0.000 0.818 125 S HN 0.709 nan 8.310 nan 0.000 0.472 126 E N 1.267 121.230 120.200 -0.395 0.000 2.209 126 E HA -0.101 4.250 4.350 0.002 0.000 0.196 126 E C 1.893 178.390 176.600 -0.171 0.000 0.993 126 E CA 1.052 57.307 56.400 -0.241 0.000 0.819 126 E CB -0.395 29.167 29.700 -0.229 0.000 0.745 126 E HN 0.642 nan 8.360 nan 0.000 0.477 127 L N -0.239 120.849 121.223 -0.225 0.000 2.189 127 L HA -0.193 4.148 4.340 0.002 0.000 0.214 127 L C 1.838 178.754 176.870 0.077 0.000 1.097 127 L CA 0.781 55.566 54.840 -0.091 0.000 0.764 127 L CB -0.507 41.471 42.059 -0.135 0.000 0.900 127 L HN 0.352 nan 8.230 nan 0.000 0.436 128 W N 0.354 121.575 121.300 -0.133 0.000 2.825 128 W HA -0.037 4.624 4.660 0.002 0.000 0.243 128 W C 2.280 178.754 176.519 -0.076 0.000 1.293 128 W CA 0.015 57.295 57.345 -0.109 0.000 1.403 128 W CB -0.896 28.511 29.460 -0.089 0.000 1.134 128 W HN 0.341 nan 8.180 nan 0.000 0.666 129 Q N 0.082 119.957 119.800 0.126 0.000 2.436 129 Q HA 0.215 4.556 4.340 0.002 0.000 0.209 129 Q C 1.322 177.353 176.000 0.051 0.000 0.965 129 Q CA 0.824 56.668 55.803 0.068 0.000 0.910 129 Q CB -0.187 28.567 28.738 0.028 0.000 0.980 129 Q HN 0.136 nan 8.270 nan 0.000 0.491 130 G N -0.709 108.126 108.800 0.059 0.000 2.819 130 G HA2 -0.076 3.886 3.960 0.002 0.000 0.682 130 G HA3 -0.076 3.886 3.960 0.002 0.000 0.682 130 G C 0.520 175.451 174.900 0.052 0.000 1.481 130 G CA -0.332 44.799 45.100 0.053 0.000 0.904 130 G HN 0.650 nan 8.290 nan 0.000 0.563 131 G N -2.360 106.477 108.800 0.062 0.000 2.199 131 G HA2 -0.063 3.898 3.960 0.002 0.000 0.254 131 G HA3 -0.063 3.898 3.960 0.002 0.000 0.254 131 G C 1.156 176.085 174.900 0.048 0.000 0.982 131 G CA 1.483 46.611 45.100 0.047 0.000 0.632 131 G HN 1.940 nan 8.290 nan 0.000 0.529 132 V N -0.432 119.525 119.914 0.073 0.000 2.950 132 V HA 0.458 4.579 4.120 0.002 0.000 0.231 132 V C 1.234 177.381 176.094 0.088 0.000 1.205 132 V CA 0.670 63.008 62.300 0.062 0.000 1.239 132 V CB -0.412 31.439 31.823 0.047 0.000 1.050 132 V HN 0.353 nan 8.190 nan 0.000 0.498 133 F N 2.232 122.164 119.950 -0.030 0.000 2.572 133 F HA 0.224 4.753 4.527 0.002 0.000 0.370 133 F C 0.571 176.350 175.800 -0.035 0.000 1.103 133 F CA 0.528 58.507 58.000 -0.035 0.000 1.286 133 F CB 0.295 39.276 39.000 -0.031 0.000 1.105 133 F HN 0.209 nan 8.300 nan 0.000 0.583 134 E N 2.869 122.877 120.200 -0.320 0.000 2.355 134 E HA 0.086 4.437 4.350 0.002 0.000 0.261 134 E C 0.138 176.550 176.600 -0.312 0.000 0.943 134 E CA -0.857 55.435 56.400 -0.180 0.000 0.806 134 E CB 1.598 31.208 29.700 -0.149 0.000 1.286 134 E HN 0.602 nan 8.360 nan 0.000 0.424 135 Q N 1.582 121.312 119.800 -0.117 0.000 2.135 135 Q HA -0.215 4.127 4.340 0.002 0.000 0.204 135 Q C 1.651 177.449 176.000 -0.335 0.000 0.981 135 Q CA 2.152 57.878 55.803 -0.129 0.000 0.856 135 Q CB -0.105 28.638 28.738 0.010 0.000 0.902 135 Q HN 0.470 nan 8.270 nan 0.000 0.425 136 K N -1.213 119.067 120.400 -0.200 0.000 2.504 136 K HA 0.072 4.393 4.320 0.002 0.000 0.195 136 K C 1.286 177.700 176.600 -0.309 0.000 1.036 136 K CA 1.149 57.371 56.287 -0.109 0.000 0.984 136 K CB 0.064 32.580 32.500 0.026 0.000 0.788 136 K HN -0.033 nan 8.250 nan 0.000 0.488 137 S N 0.955 116.265 115.700 -0.649 0.000 2.607 137 S HA -0.013 4.458 4.470 0.002 0.000 0.224 137 S C 0.126 174.318 174.600 -0.680 0.000 0.969 137 S CA 0.351 58.003 58.200 -0.913 0.000 0.927 137 S CB 0.076 62.360 63.200 -1.527 0.000 0.772 137 S HN 0.327 nan 8.310 nan 0.000 0.533 138 T N 3.146 117.443 114.554 -0.428 0.000 3.455 138 T HA 0.194 4.545 4.350 0.002 0.000 0.286 138 T C -0.193 174.646 174.700 0.231 0.000 1.157 138 T CA 0.107 62.184 62.100 -0.039 0.000 1.090 138 T CB -0.302 68.395 68.868 -0.285 0.000 1.112 138 T HN 0.418 nan 8.240 nan 0.000 0.779 139 H N 2.032 121.170 119.070 0.114 0.000 2.621 139 H HA 0.205 4.763 4.556 0.002 0.000 0.360 139 H C -1.729 173.707 175.328 0.180 0.000 1.163 139 H CA -2.783 53.331 56.048 0.111 0.000 1.194 139 H CB 2.357 32.108 29.762 -0.018 0.000 1.649 139 H HN 0.111 nan 8.280 nan 0.000 0.532 140 P HA -0.177 nan 4.420 nan 0.000 0.219 140 P C 1.440 178.831 177.300 0.151 0.000 1.146 140 P CA 1.385 64.614 63.100 0.216 0.000 0.808 140 P CB 0.163 32.025 31.700 0.271 0.000 0.779 141 S N -1.204 114.553 115.700 0.094 0.000 2.419 141 S HA -0.227 4.245 4.470 0.002 0.000 0.235 141 S C 1.785 176.239 174.600 -0.244 0.000 1.019 141 S CA 0.778 58.887 58.200 -0.152 0.000 0.982 141 S CB -1.893 60.992 63.200 -0.524 0.000 0.789 141 S HN 0.096 nan 8.310 nan 0.000 0.490 142 F N 1.834 121.576 119.950 -0.347 0.000 2.250 142 F HA -0.111 4.417 4.527 0.002 0.000 0.301 142 F C 1.815 177.362 175.800 -0.422 0.000 1.077 142 F CA 1.002 58.701 58.000 -0.502 0.000 1.348 142 F CB -0.447 38.108 39.000 -0.740 0.000 1.040 142 F HN 0.098 nan 8.300 nan 0.000 0.509 143 Y N 0.302 120.529 120.300 -0.122 0.000 2.315 143 Y HA -0.229 4.323 4.550 0.002 0.000 0.288 143 Y C 2.175 177.959 175.900 -0.192 0.000 1.154 143 Y CA 1.180 59.218 58.100 -0.104 0.000 1.229 143 Y CB -1.020 37.468 38.460 0.047 0.000 0.980 143 Y HN 0.123 nan 8.280 nan 0.000 0.540 144 L N 0.158 121.339 121.223 -0.071 0.000 2.005 144 L HA -0.150 4.192 4.340 0.002 0.000 0.207 144 L C -0.215 176.583 176.870 -0.121 0.000 1.072 144 L CA 1.338 56.145 54.840 -0.054 0.000 0.744 144 L CB -1.803 40.200 42.059 -0.095 0.000 0.895 144 L HN 0.132 nan 8.230 nan 0.000 0.433 145 P HA -0.009 nan 4.420 nan 0.000 0.226 145 P C 1.153 178.332 177.300 -0.201 0.000 1.161 145 P CA 1.332 64.358 63.100 -0.124 0.000 0.804 145 P CB 0.268 31.951 31.700 -0.028 0.000 0.829 146 A N -0.604 121.974 122.820 -0.402 0.000 1.975 146 A HA 0.112 4.434 4.320 0.002 0.000 0.215 146 A C 2.070 179.530 177.584 -0.206 0.000 1.170 146 A CA 1.313 53.123 52.037 -0.378 0.000 0.656 146 A CB -0.687 17.885 19.000 -0.713 0.000 0.821 146 A HN 0.067 nan 8.150 nan 0.000 0.449 147 V N -2.061 117.738 119.914 -0.191 0.000 3.278 147 V HA 0.197 4.318 4.120 0.002 0.000 0.215 147 V C 2.655 178.503 176.094 -0.411 0.000 1.287 147 V CA 0.720 62.833 62.300 -0.312 0.000 1.302 147 V CB -0.723 31.037 31.823 -0.105 0.000 1.228 147 V HN 0.389 nan 8.190 nan 0.000 0.523 148 A N 0.466 123.203 122.820 -0.138 0.000 1.933 148 A HA -0.075 4.246 4.320 0.002 0.000 0.218 148 A C 2.263 179.911 177.584 0.107 0.000 1.175 148 A CA 2.329 54.390 52.037 0.039 0.000 0.628 148 A CB -0.740 18.371 19.000 0.185 0.000 0.814 148 A HN 0.648 nan 8.150 nan 0.000 0.444 149 A N 0.199 123.041 122.820 0.036 0.000 1.933 149 A HA -0.183 4.139 4.320 0.002 0.000 0.218 149 A C 1.952 179.560 177.584 0.039 0.000 1.175 149 A CA 1.671 53.733 52.037 0.042 0.000 0.628 149 A CB -0.554 18.458 19.000 0.021 0.000 0.814 149 A HN 0.559 nan 8.150 nan 0.000 0.444 150 N N -0.668 118.030 118.700 -0.003 0.000 2.142 150 N HA -0.090 4.651 4.740 0.002 0.000 0.186 150 N C 1.358 176.963 175.510 0.157 0.000 1.023 150 N CA 1.256 54.359 53.050 0.088 0.000 0.852 150 N CB -0.507 37.962 38.487 -0.029 0.000 0.998 150 N HN 0.431 nan 8.380 nan 0.000 0.424 151 F N 1.737 121.751 119.950 0.105 0.000 2.171 151 F HA -0.062 4.467 4.527 0.002 0.000 0.300 151 F C 2.544 178.402 175.800 0.095 0.000 1.090 151 F CA 0.785 58.858 58.000 0.122 0.000 1.293 151 F CB -1.274 37.762 39.000 0.060 0.000 1.013 151 F HN -0.002 nan 8.300 nan 0.000 0.486 152 T N -0.952 113.757 114.554 0.258 0.000 2.737 152 T HA -0.153 4.198 4.350 0.002 0.000 0.265 152 T C 2.317 177.004 174.700 -0.022 0.000 1.038 152 T CA 1.649 63.828 62.100 0.132 0.000 1.144 152 T CB -0.506 68.439 68.868 0.127 0.000 0.866 152 T HN 0.151 nan 8.240 nan 0.000 0.434 153 S N 1.471 117.107 115.700 -0.108 0.000 2.365 153 S HA -0.132 4.340 4.470 0.002 0.000 0.225 153 S C 2.576 177.010 174.600 -0.277 0.000 1.039 153 S CA 1.098 59.081 58.200 -0.361 0.000 1.033 153 S CB -0.696 62.036 63.200 -0.779 0.000 0.887 153 S HN 0.604 nan 8.310 nan 0.000 0.447 154 A N 1.248 124.064 122.820 -0.006 0.000 1.873 154 A HA -0.169 4.153 4.320 0.002 0.000 0.218 154 A C 2.385 179.943 177.584 -0.044 0.000 1.193 154 A CA 2.200 54.301 52.037 0.108 0.000 0.629 154 A CB -1.296 17.918 19.000 0.356 0.000 0.826 154 A HN 0.440 nan 8.150 nan 0.000 0.447 155 S N -0.338 115.346 115.700 -0.027 0.000 2.359 155 S HA -0.158 4.313 4.470 0.002 0.000 0.223 155 S C 2.378 176.870 174.600 -0.180 0.000 1.039 155 S CA 1.811 59.958 58.200 -0.089 0.000 1.042 155 S CB -0.353 62.838 63.200 -0.016 0.000 0.915 155 S HN 0.667 nan 8.310 nan 0.000 0.439 156 S N 1.222 116.801 115.700 -0.202 0.000 2.383 156 S HA 0.095 4.566 4.470 0.002 0.000 0.227 156 S C 1.821 176.214 174.600 -0.345 0.000 1.026 156 S CA 0.763 58.796 58.200 -0.279 0.000 0.981 156 S CB -0.342 62.681 63.200 -0.296 0.000 0.818 156 S HN 0.344 nan 8.310 nan 0.000 0.472 157 L N 1.157 122.169 121.223 -0.352 0.000 2.083 157 L HA -0.109 4.233 4.340 0.002 0.000 0.209 157 L C 2.753 179.467 176.870 -0.260 0.000 1.083 157 L CA 1.114 55.766 54.840 -0.313 0.000 0.752 157 L CB -0.637 41.255 42.059 -0.278 0.000 0.899 157 L HN 0.322 nan 8.230 nan 0.000 0.433 158 A N -0.057 122.549 122.820 -0.357 0.000 1.933 158 A HA -0.220 4.101 4.320 0.002 0.000 0.218 158 A C 2.199 179.453 177.584 -0.550 0.000 1.175 158 A CA 1.535 53.202 52.037 -0.616 0.000 0.628 158 A CB -0.614 18.075 19.000 -0.518 0.000 0.814 158 A HN 0.334 nan 8.150 nan 0.000 0.444 159 L N -0.255 120.727 121.223 -0.401 0.000 2.083 159 L HA -0.057 4.285 4.340 0.002 0.000 0.209 159 L C 1.960 178.550 176.870 -0.465 0.000 1.083 159 L CA 1.645 56.230 54.840 -0.426 0.000 0.752 159 L CB -0.380 41.393 42.059 -0.476 0.000 0.899 159 L HN 0.391 nan 8.230 nan 0.000 0.433 160 L N -0.604 120.405 121.223 -0.356 0.000 2.610 160 L HA 0.169 4.510 4.340 0.002 0.000 0.232 160 L C 1.570 178.304 176.870 -0.227 0.000 1.149 160 L CA 0.630 55.361 54.840 -0.181 0.000 0.872 160 L CB -0.771 41.315 42.059 0.045 0.000 0.992 160 L HN 0.596 nan 8.230 nan 0.000 0.447 161 G N -1.097 107.508 108.800 -0.325 0.000 2.157 161 G HA2 -0.314 3.648 3.960 0.002 0.000 0.239 161 G HA3 -0.314 3.648 3.960 0.002 0.000 0.239 161 G C -0.029 174.641 174.900 -0.384 0.000 0.982 161 G CA -0.423 44.489 45.100 -0.314 0.000 0.650 161 G HN 0.324 nan 8.290 nan 0.000 0.527 162 Y N 1.455 121.656 120.300 -0.165 0.000 2.812 162 Y HA 0.491 5.042 4.550 0.002 0.000 0.354 162 Y C 1.727 177.577 175.900 -0.083 0.000 1.276 162 Y CA -0.282 57.801 58.100 -0.028 0.000 1.639 162 Y CB -0.210 38.272 38.460 0.037 0.000 1.741 162 Y HN 0.356 nan 8.280 nan 0.000 0.479 163 H N -0.958 118.162 119.070 0.083 0.000 2.357 163 H HA -0.137 4.420 4.556 0.002 0.000 0.301 163 H C 1.415 176.827 175.328 0.140 0.000 1.082 163 H CA 1.980 58.032 56.048 0.008 0.000 1.342 163 H CB 0.298 30.047 29.762 -0.023 0.000 1.389 163 H HN 0.396 nan 8.280 nan 0.000 0.511 164 D N 0.191 120.811 120.400 0.367 0.000 2.117 164 D HA -0.102 4.539 4.640 0.002 0.000 0.198 164 D C 2.255 178.762 176.300 0.346 0.000 0.982 164 D CA 0.581 54.816 54.000 0.392 0.000 0.828 164 D CB -0.251 40.723 40.800 0.289 0.000 0.967 164 D HN 0.283 nan 8.370 nan 0.000 0.464 165 L N 0.613 122.025 121.223 0.316 0.000 2.042 165 L HA -0.115 4.227 4.340 0.002 0.000 0.210 165 L C 2.541 179.638 176.870 0.379 0.000 1.076 165 L CA 1.431 56.469 54.840 0.330 0.000 0.749 165 L CB -0.708 41.556 42.059 0.342 0.000 0.893 165 L HN 0.103 nan 8.230 nan 0.000 0.432 166 G N -1.209 107.744 108.800 0.255 0.000 2.440 166 G HA2 -0.303 3.658 3.960 0.002 0.000 0.218 166 G HA3 -0.303 3.658 3.960 0.002 0.000 0.218 166 G C 1.369 176.428 174.900 0.265 0.000 1.154 166 G CA 0.635 45.846 45.100 0.185 0.000 0.767 166 G HN 0.321 nan 8.290 nan 0.000 0.552 167 Y N 0.507 120.963 120.300 0.261 0.000 2.256 167 Y HA -0.057 4.495 4.550 0.003 0.000 0.288 167 Y C 2.798 178.886 175.900 0.313 0.000 1.155 167 Y CA 0.663 58.939 58.100 0.294 0.000 1.203 167 Y CB -0.066 38.522 38.460 0.213 0.000 0.980 167 Y HN 0.096 nan 8.280 nan 0.000 0.530 168 L N -1.825 119.620 121.223 0.371 0.000 2.017 168 L HA -0.234 4.108 4.340 0.002 0.000 0.208 168 L C 2.063 178.979 176.870 0.076 0.000 1.073 168 L CA 1.318 56.256 54.840 0.164 0.000 0.745 168 L CB -0.767 41.299 42.059 0.010 0.000 0.894 168 L HN 0.172 nan 8.230 nan 0.000 0.432 169 F N -0.587 119.476 119.950 0.189 0.000 2.134 169 F HA -0.265 4.263 4.527 0.003 0.000 0.299 169 F C 2.400 178.321 175.800 0.202 0.000 1.097 169 F CA 1.615 59.703 58.000 0.148 0.000 1.264 169 F CB -0.675 38.392 39.000 0.113 0.000 1.001 169 F HN -0.055 nan 8.300 nan 0.000 0.479 170 F N 0.915 121.086 119.950 0.367 0.000 2.095 170 F HA -0.113 4.416 4.527 0.002 0.000 0.298 170 F C 2.413 178.444 175.800 0.386 0.000 1.104 170 F CA 1.767 60.026 58.000 0.433 0.000 1.232 170 F CB -1.062 38.165 39.000 0.379 0.000 0.987 170 F HN -0.056 nan 8.300 nan 0.000 0.475 171 G N -0.346 108.632 108.800 0.297 0.000 2.440 171 G HA2 -0.258 3.704 3.960 0.002 0.000 0.218 171 G HA3 -0.258 3.704 3.960 0.002 0.000 0.218 171 G C 1.837 176.744 174.900 0.013 0.000 1.154 171 G CA 0.993 46.174 45.100 0.134 0.000 0.767 171 G HN 0.654 nan 8.290 nan 0.000 0.552 172 A N 0.831 123.652 122.820 0.002 0.000 1.883 172 A HA 0.116 4.437 4.320 0.002 0.000 0.217 172 A C 2.717 180.234 177.584 -0.112 0.000 1.186 172 A CA 2.251 54.260 52.037 -0.047 0.000 0.624 172 A CB -1.101 17.853 19.000 -0.076 0.000 0.822 172 A HN 0.562 nan 8.150 nan 0.000 0.444 173 G N -1.050 107.603 108.800 -0.244 0.000 2.403 173 G HA2 -0.164 3.798 3.960 0.002 0.000 0.216 173 G HA3 -0.164 3.798 3.960 0.002 0.000 0.216 173 G C 1.659 176.300 174.900 -0.431 0.000 1.154 173 G CA 1.122 45.849 45.100 -0.622 0.000 0.784 173 G HN 0.498 nan 8.290 nan 0.000 0.538 174 M N -0.012 119.508 119.600 -0.133 0.000 2.099 174 M HA 0.080 4.562 4.480 0.002 0.000 0.262 174 M C 2.442 178.826 176.300 0.140 0.000 1.067 174 M CA 1.395 56.813 55.300 0.196 0.000 1.124 174 M CB -0.171 32.385 32.600 -0.073 0.000 1.353 174 M HN 0.213 nan 8.290 nan 0.000 0.410 175 I N 0.373 120.962 120.570 0.032 0.000 2.252 175 I HA -0.220 3.951 4.170 0.002 0.000 0.245 175 I C 2.655 178.814 176.117 0.071 0.000 1.102 175 I CA 1.073 62.388 61.300 0.025 0.000 1.385 175 I CB -0.731 37.278 38.000 0.015 0.000 1.064 175 I HN 0.383 nan 8.210 nan 0.000 0.414 176 A N 0.663 123.535 122.820 0.087 0.000 1.908 176 A HA -0.278 4.043 4.320 0.002 0.000 0.218 176 A C 2.103 179.872 177.584 0.309 0.000 1.181 176 A CA 1.838 53.971 52.037 0.160 0.000 0.627 176 A CB -1.153 17.899 19.000 0.087 0.000 0.818 176 A HN 0.696 nan 8.150 nan 0.000 0.445 177 W N 0.799 122.161 121.300 0.104 0.000 2.353 177 W HA -0.158 4.504 4.660 0.003 0.000 0.319 177 W C 1.665 178.319 176.519 0.226 0.000 1.207 177 W CA 1.781 59.255 57.345 0.215 0.000 1.291 177 W CB -0.808 28.726 29.460 0.123 0.000 1.159 177 W HN 0.278 nan 8.180 nan 0.000 0.478 178 I N 0.426 120.860 120.570 -0.227 0.000 2.830 178 I HA -0.224 3.948 4.170 0.002 0.000 0.263 178 I C 2.257 178.293 176.117 -0.135 0.000 1.230 178 I CA 0.746 61.781 61.300 -0.441 0.000 1.480 178 I CB -0.498 37.206 38.000 -0.493 0.000 1.095 178 I HN -0.036 nan 8.210 nan 0.000 0.455 179 I N 0.046 120.630 120.570 0.023 0.000 2.179 179 I HA -0.316 3.856 4.170 0.002 0.000 0.242 179 I C 2.270 178.486 176.117 0.164 0.000 1.088 179 I CA 1.774 63.128 61.300 0.091 0.000 1.357 179 I CB -0.210 37.845 38.000 0.092 0.000 1.051 179 I HN 0.177 nan 8.210 nan 0.000 0.409 180 F N 0.876 120.910 119.950 0.140 0.000 2.262 180 F HA -0.024 4.504 4.527 0.002 0.000 0.292 180 F C 2.434 178.323 175.800 0.148 0.000 1.081 180 F CA 1.136 59.224 58.000 0.146 0.000 1.355 180 F CB -0.271 38.910 39.000 0.301 0.000 1.069 180 F HN -0.021 nan 8.300 nan 0.000 0.506 181 E N 0.482 120.809 120.200 0.211 0.000 2.130 181 E HA -0.220 4.132 4.350 0.002 0.000 0.196 181 E C -0.719 175.849 176.600 -0.053 0.000 0.998 181 E CA 1.772 58.262 56.400 0.151 0.000 0.806 181 E CB -0.965 28.964 29.700 0.382 0.000 0.738 181 E HN 0.276 nan 8.360 nan 0.000 0.459 182 P HA -0.189 nan 4.420 nan 0.000 0.215 182 P C 1.612 178.844 177.300 -0.114 0.000 1.157 182 P CA 1.986 65.039 63.100 -0.077 0.000 0.868 182 P CB -0.197 31.456 31.700 -0.079 0.000 0.788 183 V N -3.142 116.645 119.914 -0.213 0.000 2.719 183 V HA -0.109 4.012 4.120 0.002 0.000 0.252 183 V C 2.154 178.102 176.094 -0.242 0.000 1.065 183 V CA 1.078 63.254 62.300 -0.206 0.000 1.086 183 V CB -1.722 29.979 31.823 -0.203 0.000 0.700 183 V HN -0.050 nan 8.190 nan 0.000 0.467 184 L N 0.350 121.293 121.223 -0.466 0.000 1.994 184 L HA -0.020 4.322 4.340 0.002 0.000 0.208 184 L C 2.347 179.208 176.870 -0.015 0.000 1.071 184 L CA 2.121 56.775 54.840 -0.310 0.000 0.745 184 L CB -0.605 41.191 42.059 -0.438 0.000 0.892 184 L HN 0.288 nan 8.230 nan 0.000 0.431 185 L N -0.970 120.261 121.223 0.013 0.000 2.141 185 L HA -0.170 4.172 4.340 0.002 0.000 0.209 185 L C 2.604 179.502 176.870 0.047 0.000 1.094 185 L CA 1.201 56.086 54.840 0.076 0.000 0.763 185 L CB -0.611 41.519 42.059 0.118 0.000 0.908 185 L HN 0.405 nan 8.230 nan 0.000 0.437 186 Q N -0.032 119.784 119.800 0.026 0.000 2.084 186 Q HA -0.273 4.069 4.340 0.002 0.000 0.202 186 Q C 2.156 178.186 176.000 0.049 0.000 0.978 186 Q CA 1.886 57.704 55.803 0.025 0.000 0.844 186 Q CB -0.193 28.553 28.738 0.012 0.000 0.898 186 Q HN 0.496 nan 8.270 nan 0.000 0.426 187 H N -0.487 118.572 119.070 -0.019 0.000 2.353 187 H HA -0.042 4.515 4.556 0.002 0.000 0.300 187 H C 1.624 176.968 175.328 0.026 0.000 1.090 187 H CA 1.931 57.982 56.048 0.005 0.000 1.327 187 H CB -0.174 29.593 29.762 0.007 0.000 1.383 187 H HN 0.301 nan 8.280 nan 0.000 0.508 188 L N -0.136 121.075 121.223 -0.019 0.000 2.042 188 L HA -0.183 4.158 4.340 0.002 0.000 0.210 188 L C 2.767 179.582 176.870 -0.093 0.000 1.076 188 L CA 1.489 56.298 54.840 -0.052 0.000 0.749 188 L CB -0.457 41.636 42.059 0.057 0.000 0.893 188 L HN 0.284 nan 8.230 nan 0.000 0.432 189 R N 0.060 120.521 120.500 -0.065 0.000 2.103 189 R HA -0.178 4.163 4.340 0.002 0.000 0.242 189 R C 2.212 178.459 176.300 -0.088 0.000 1.142 189 R CA 1.620 57.674 56.100 -0.077 0.000 0.960 189 R CB -0.345 29.927 30.300 -0.047 0.000 0.858 189 R HN 0.396 nan 8.270 nan 0.000 0.439 190 I N -1.061 119.452 120.570 -0.094 0.000 2.429 190 I HA -0.117 4.054 4.170 0.002 0.000 0.247 190 I C 1.694 177.748 176.117 -0.105 0.000 1.099 190 I CA 1.039 62.292 61.300 -0.078 0.000 1.422 190 I CB 0.165 38.138 38.000 -0.044 0.000 1.112 190 I HN 0.035 nan 8.210 nan 0.000 0.430 191 S N -1.520 114.052 115.700 -0.213 0.000 2.665 191 S HA 0.165 4.637 4.470 0.002 0.000 0.240 191 S C 0.726 175.236 174.600 -0.150 0.000 1.081 191 S CA 0.319 58.405 58.200 -0.190 0.000 0.887 191 S CB 0.699 63.748 63.200 -0.252 0.000 0.805 191 S HN 0.393 nan 8.310 nan 0.000 0.486 192 S N -0.062 115.483 115.700 -0.259 0.000 3.426 192 S HA -0.212 4.260 4.470 0.002 0.000 0.630 192 S C -1.103 173.537 174.600 0.065 0.000 2.670 192 S CA 0.879 59.055 58.200 -0.040 0.000 3.374 192 S CB -1.312 61.955 63.200 0.112 0.000 0.296 192 S HN 0.403 nan 8.310 nan 0.000 1.445 193 L N 1.409 122.770 121.223 0.229 0.000 2.410 193 L HA 0.498 4.839 4.340 0.002 0.000 0.270 193 L C -0.031 176.940 176.870 0.168 0.000 0.983 193 L CA -0.759 54.197 54.840 0.193 0.000 0.822 193 L CB 1.792 43.930 42.059 0.132 0.000 1.285 193 L HN 0.674 nan 8.230 nan 0.000 0.409 194 E N 3.328 123.647 120.200 0.198 0.000 2.436 194 E HA -0.049 4.302 4.350 0.002 0.000 0.262 194 E C -1.649 174.904 176.600 -0.079 0.000 1.063 194 E CA -1.148 55.294 56.400 0.070 0.000 0.944 194 E CB 0.408 30.163 29.700 0.092 0.000 0.950 194 E HN 0.347 nan 8.360 nan 0.000 0.444 195 P HA -0.295 nan 4.420 nan 0.000 0.217 195 P C 1.283 178.432 177.300 -0.252 0.000 1.151 195 P CA 1.441 64.390 63.100 -0.252 0.000 0.849 195 P CB 0.050 31.625 31.700 -0.210 0.000 0.787 196 Q N -1.453 118.149 119.800 -0.331 0.000 2.364 196 Q HA -0.116 4.225 4.340 0.002 0.000 0.207 196 Q C 1.057 176.798 176.000 -0.433 0.000 0.970 196 Q CA 1.579 57.125 55.803 -0.428 0.000 0.888 196 Q CB -0.883 27.506 28.738 -0.583 0.000 0.951 196 Q HN 0.271 nan 8.270 nan 0.000 0.469 197 F N 0.359 120.287 119.950 -0.036 0.000 2.704 197 F HA 0.374 4.903 4.527 0.002 0.000 0.304 197 F C 2.137 177.902 175.800 -0.059 0.000 1.094 197 F CA -0.579 57.412 58.000 -0.015 0.000 1.275 197 F CB 0.139 39.116 39.000 -0.038 0.000 1.073 197 F HN -0.064 nan 8.300 nan 0.000 0.586 198 R N 0.420 120.916 120.500 -0.006 0.000 2.152 198 R HA -0.091 4.251 4.340 0.002 0.000 0.232 198 R C 2.345 178.631 176.300 -0.022 0.000 1.117 198 R CA 1.014 57.050 56.100 -0.106 0.000 0.981 198 R CB -0.391 29.666 30.300 -0.404 0.000 0.870 198 R HN 0.248 nan 8.270 nan 0.000 0.451 199 A N 0.601 123.427 122.820 0.011 0.000 2.024 199 A HA -0.182 4.139 4.320 0.002 0.000 0.220 199 A C 2.100 179.738 177.584 0.089 0.000 1.164 199 A CA 2.014 54.102 52.037 0.084 0.000 0.643 199 A CB -0.808 18.247 19.000 0.091 0.000 0.806 199 A HN 0.509 nan 8.150 nan 0.000 0.451 200 T N -3.126 111.502 114.554 0.123 0.000 3.098 200 T HA -0.054 4.298 4.350 0.002 0.000 0.266 200 T C 1.649 176.399 174.700 0.083 0.000 1.145 200 T CA 1.110 63.302 62.100 0.154 0.000 1.092 200 T CB -0.416 68.609 68.868 0.263 0.000 0.908 200 T HN 0.258 nan 8.240 nan 0.000 0.526 201 M N 1.542 121.177 119.600 0.057 0.000 2.267 201 M HA 0.027 4.508 4.480 0.002 0.000 0.263 201 M C 2.628 178.817 176.300 -0.184 0.000 1.063 201 M CA 1.418 56.755 55.300 0.062 0.000 1.090 201 M CB -1.737 30.980 32.600 0.194 0.000 1.392 201 M HN 0.566 nan 8.290 nan 0.000 0.422 202 G N 0.436 108.846 108.800 -0.651 0.000 2.485 202 G HA2 -0.187 3.774 3.960 0.002 0.000 0.221 202 G HA3 -0.187 3.774 3.960 0.002 0.000 0.221 202 G C 1.577 176.211 174.900 -0.445 0.000 1.115 202 G CA 0.545 44.758 45.100 -1.479 0.000 0.751 202 G HN 0.509 nan 8.290 nan 0.000 0.567 203 I N 0.533 121.043 120.570 -0.100 0.000 2.676 203 I HA -0.089 4.083 4.170 0.002 0.000 0.259 203 I C 2.422 178.608 176.117 0.116 0.000 1.194 203 I CA 0.114 61.472 61.300 0.096 0.000 1.473 203 I CB -0.031 38.111 38.000 0.237 0.000 1.096 203 I HN -0.007 nan 8.210 nan 0.000 0.443 204 V N 0.943 120.944 119.914 0.144 0.000 2.720 204 V HA -0.235 3.887 4.120 0.002 0.000 0.256 204 V C 2.326 178.454 176.094 0.057 0.000 1.082 204 V CA 1.229 63.647 62.300 0.197 0.000 1.101 204 V CB -0.455 31.526 31.823 0.263 0.000 0.693 204 V HN 0.388 nan 8.190 nan 0.000 0.479 205 L N 0.826 122.072 121.223 0.038 0.000 2.201 205 L HA 0.007 4.349 4.340 0.002 0.000 0.212 205 L C 2.405 179.285 176.870 0.018 0.000 1.105 205 L CA 2.019 56.911 54.840 0.086 0.000 0.775 205 L CB -0.765 41.416 42.059 0.203 0.000 0.913 205 L HN 0.211 nan 8.230 nan 0.000 0.440 206 A N 0.049 122.813 122.820 -0.095 0.000 1.873 206 A HA -0.048 4.273 4.320 0.002 0.000 0.215 206 A C 0.069 177.395 177.584 -0.429 0.000 1.186 206 A CA 1.564 53.462 52.037 -0.231 0.000 0.616 206 A CB -1.906 16.909 19.000 -0.309 0.000 0.823 206 A HN 0.389 nan 8.150 nan 0.000 0.442 207 P HA -0.187 nan 4.420 nan 0.000 0.214 207 P C 1.800 178.431 177.300 -1.115 0.000 1.163 207 P CA 2.277 64.735 63.100 -1.069 0.000 0.889 207 P CB -0.145 30.430 31.700 -1.874 0.000 0.790 208 A N -2.010 120.226 122.820 -0.973 0.000 1.969 208 A HA -0.157 4.164 4.320 0.002 0.000 0.218 208 A C 1.903 179.170 177.584 -0.528 0.000 1.169 208 A CA 1.451 53.065 52.037 -0.705 0.000 0.635 208 A CB -1.637 17.137 19.000 -0.376 0.000 0.810 208 A HN 0.080 nan 8.150 nan 0.000 0.445 209 F N -0.634 119.142 119.950 -0.289 0.000 2.270 209 F HA -0.015 4.514 4.527 0.004 0.000 0.295 209 F C 2.376 178.062 175.800 -0.191 0.000 1.087 209 F CA 0.928 58.830 58.000 -0.164 0.000 1.365 209 F CB -0.554 38.351 39.000 -0.158 0.000 1.056 209 F HN 0.002 nan 8.300 nan 0.000 0.506 210 V N -1.238 118.573 119.914 -0.172 0.000 2.427 210 V HA -0.308 3.814 4.120 0.002 0.000 0.248 210 V C 2.565 178.366 176.094 -0.490 0.000 1.051 210 V CA 1.656 63.798 62.300 -0.262 0.000 1.048 210 V CB -0.907 30.675 31.823 -0.401 0.000 0.666 210 V HN 0.619 nan 8.190 nan 0.000 0.456 211 C N -0.474 118.316 119.300 -0.850 0.000 2.413 211 C HA -0.144 4.318 4.460 0.002 0.000 0.277 211 C C 2.822 177.651 174.990 -0.268 0.000 1.228 211 C CA 1.661 59.977 59.018 -1.171 0.000 1.731 211 C CB -0.752 26.484 27.740 -0.839 0.000 2.042 211 C HN 0.406 nan 8.230 nan 0.000 0.468 212 V N 0.394 120.264 119.914 -0.074 0.000 2.515 212 V HA -0.097 4.024 4.120 0.002 0.000 0.250 212 V C 2.706 178.875 176.094 0.125 0.000 1.058 212 V CA 2.630 65.009 62.300 0.132 0.000 1.064 212 V CB -0.612 31.341 31.823 0.216 0.000 0.675 212 V HN 0.763 nan 8.190 nan 0.000 0.461 213 S N -0.229 115.520 115.700 0.082 0.000 2.368 213 S HA -0.132 4.340 4.470 0.002 0.000 0.225 213 S C 2.146 176.758 174.600 0.019 0.000 1.030 213 S CA 1.732 59.982 58.200 0.083 0.000 0.999 213 S CB -0.420 62.851 63.200 0.119 0.000 0.844 213 S HN 0.809 nan 8.310 nan 0.000 0.459 214 A N 0.162 122.984 122.820 0.003 0.000 1.902 214 A HA -0.036 4.286 4.320 0.002 0.000 0.217 214 A C 2.042 179.562 177.584 -0.107 0.000 1.181 214 A CA 1.665 53.716 52.037 0.024 0.000 0.623 214 A CB -1.207 17.901 19.000 0.180 0.000 0.818 214 A HN 0.734 nan 8.150 nan 0.000 0.443 215 Y N 0.591 120.719 120.300 -0.287 0.000 2.128 215 Y HA -0.167 4.385 4.550 0.002 0.000 0.284 215 Y C 1.930 177.617 175.900 -0.355 0.000 1.154 215 Y CA 1.823 59.578 58.100 -0.574 0.000 1.149 215 Y CB -0.469 37.758 38.460 -0.388 0.000 0.976 215 Y HN 0.213 nan 8.280 nan 0.000 0.505 216 L N -0.951 120.101 121.223 -0.284 0.000 2.201 216 L HA -0.213 4.128 4.340 0.002 0.000 0.212 216 L C 2.446 179.109 176.870 -0.346 0.000 1.105 216 L CA 1.353 55.989 54.840 -0.341 0.000 0.775 216 L CB -0.597 41.354 42.059 -0.179 0.000 0.913 216 L HN 0.122 nan 8.230 nan 0.000 0.440 217 S N 0.066 115.595 115.700 -0.286 0.000 2.368 217 S HA -0.078 4.393 4.470 0.002 0.000 0.224 217 S C 1.915 176.298 174.600 -0.362 0.000 1.029 217 S CA 1.172 59.205 58.200 -0.279 0.000 0.988 217 S CB -0.167 62.917 63.200 -0.195 0.000 0.838 217 S HN 0.322 nan 8.310 nan 0.000 0.462 218 I N 2.471 122.767 120.570 -0.456 0.000 2.617 218 I HA -0.074 4.097 4.170 0.002 0.000 0.256 218 I C 1.541 177.319 176.117 -0.565 0.000 1.167 218 I CA 0.725 61.708 61.300 -0.527 0.000 1.469 218 I CB -0.280 37.214 38.000 -0.843 0.000 1.098 218 I HN 0.308 nan 8.210 nan 0.000 0.436 219 N N -0.033 118.308 118.700 -0.599 0.000 2.279 219 N HA -0.103 4.638 4.740 0.002 0.000 0.226 219 N C 0.200 175.562 175.510 -0.248 0.000 1.126 219 N CA -0.094 52.707 53.050 -0.416 0.000 0.846 219 N CB -0.460 37.685 38.487 -0.571 0.000 1.050 219 N HN 0.344 nan 8.380 nan 0.000 0.502 220 H N -0.969 117.957 119.070 -0.239 0.000 2.936 220 H HA -0.133 4.425 4.556 0.002 0.000 0.276 220 H C 1.102 176.293 175.328 -0.227 0.000 1.216 220 H CA 0.904 56.829 56.048 -0.204 0.000 1.132 220 H CB -1.675 27.974 29.762 -0.189 0.000 1.303 220 H HN 0.630 nan 8.280 nan 0.000 0.370 221 G N 0.681 109.354 108.800 -0.212 0.000 2.143 221 G HA2 -0.331 3.630 3.960 0.002 0.000 0.248 221 G HA3 -0.331 3.630 3.960 0.002 0.000 0.248 221 G C 0.005 174.772 174.900 -0.220 0.000 0.991 221 G CA 0.607 45.569 45.100 -0.230 0.000 0.689 221 G HN 0.705 nan 8.290 nan 0.000 0.522 222 E N 0.570 120.642 120.200 -0.213 0.000 2.166 222 E HA 0.388 4.739 4.350 0.002 0.000 0.279 222 E C 0.379 176.846 176.600 -0.222 0.000 1.095 222 E CA -0.572 55.718 56.400 -0.184 0.000 0.888 222 E CB 0.568 30.190 29.700 -0.130 0.000 1.041 222 E HN 0.125 nan 8.360 nan 0.000 0.414 223 V N 6.888 126.635 119.914 -0.279 0.000 2.370 223 V HA 0.053 4.175 4.120 0.002 0.000 0.257 223 V C 0.180 176.139 176.094 -0.225 0.000 1.064 223 V CA -0.142 61.913 62.300 -0.408 0.000 0.975 223 V CB -0.004 31.391 31.823 -0.713 0.000 1.067 223 V HN 0.695 nan 8.190 nan 0.000 0.485 224 D N 2.662 123.006 120.400 -0.093 0.000 2.668 224 D HA 0.277 4.918 4.640 0.002 0.000 0.249 224 D C 1.154 177.472 176.300 0.030 0.000 1.150 224 D CA -0.452 53.544 54.000 -0.006 0.000 1.090 224 D CB 0.539 41.376 40.800 0.062 0.000 1.244 224 D HN 0.122 nan 8.370 nan 0.000 0.636 225 T N -0.321 114.262 114.554 0.048 0.000 2.708 225 T HA -0.118 4.234 4.350 0.002 0.000 0.266 225 T C 1.713 176.451 174.700 0.064 0.000 1.037 225 T CA 1.298 63.432 62.100 0.058 0.000 1.146 225 T CB -0.376 68.518 68.868 0.044 0.000 0.865 225 T HN 0.314 nan 8.240 nan 0.000 0.435 226 L N 1.579 122.824 121.223 0.035 0.000 2.012 226 L HA -0.035 4.307 4.340 0.002 0.000 0.210 226 L C 2.576 179.460 176.870 0.022 0.000 1.073 226 L CA 2.067 56.888 54.840 -0.032 0.000 0.748 226 L CB -1.078 40.846 42.059 -0.225 0.000 0.891 226 L HN 0.230 nan 8.230 nan 0.000 0.431 227 A N -0.718 122.158 122.820 0.093 0.000 1.902 227 A HA -0.229 4.093 4.320 0.002 0.000 0.217 227 A C 2.320 180.097 177.584 0.322 0.000 1.181 227 A CA 1.977 54.123 52.037 0.182 0.000 0.623 227 A CB -0.507 18.534 19.000 0.067 0.000 0.818 227 A HN 0.538 nan 8.150 nan 0.000 0.443 228 K N -0.466 120.109 120.400 0.290 0.000 2.057 228 K HA -0.007 4.314 4.320 0.002 0.000 0.206 228 K C 1.781 178.579 176.600 0.330 0.000 1.050 228 K CA 1.374 57.908 56.287 0.412 0.000 0.935 228 K CB -0.346 32.333 32.500 0.299 0.000 0.715 228 K HN 0.507 nan 8.250 nan 0.000 0.439 229 I N 1.204 121.901 120.570 0.212 0.000 2.163 229 I HA -0.322 3.849 4.170 0.002 0.000 0.243 229 I C 2.166 178.394 176.117 0.185 0.000 1.085 229 I CA 1.341 62.739 61.300 0.164 0.000 1.347 229 I CB -0.214 37.841 38.000 0.092 0.000 1.044 229 I HN 0.135 nan 8.210 nan 0.000 0.408 230 L N -1.163 120.176 121.223 0.193 0.000 2.027 230 L HA -0.225 4.116 4.340 0.002 0.000 0.206 230 L C 2.435 179.393 176.870 0.146 0.000 1.074 230 L CA 1.307 56.257 54.840 0.184 0.000 0.745 230 L CB -0.693 41.464 42.059 0.163 0.000 0.898 230 L HN 0.344 nan 8.230 nan 0.000 0.433 231 W N 0.930 122.205 121.300 -0.040 0.000 2.321 231 W HA -0.148 4.514 4.660 0.002 0.000 0.306 231 W C 2.462 178.895 176.519 -0.144 0.000 1.217 231 W CA 1.521 58.746 57.345 -0.199 0.000 1.257 231 W CB -1.114 28.275 29.460 -0.117 0.000 1.145 231 W HN 0.151 nan 8.180 nan 0.000 0.509 232 G N -1.460 107.480 108.800 0.233 0.000 2.459 232 G HA2 -0.373 3.589 3.960 0.002 0.000 0.217 232 G HA3 -0.373 3.589 3.960 0.002 0.000 0.217 232 G C 1.416 176.332 174.900 0.027 0.000 1.183 232 G CA 1.280 46.483 45.100 0.171 0.000 0.776 232 G HN 0.333 nan 8.290 nan 0.000 0.552 233 Y N 1.993 122.240 120.300 -0.088 0.000 2.263 233 Y HA 0.064 4.615 4.550 0.003 0.000 0.292 233 Y C 2.790 178.506 175.900 -0.307 0.000 1.130 233 Y CA 1.233 59.253 58.100 -0.134 0.000 1.179 233 Y CB -0.477 37.972 38.460 -0.019 0.000 0.998 233 Y HN 0.141 nan 8.280 nan 0.000 0.532 234 G N -0.261 108.243 108.800 -0.494 0.000 2.476 234 G HA2 -0.313 3.648 3.960 0.002 0.000 0.218 234 G HA3 -0.313 3.648 3.960 0.002 0.000 0.218 234 G C 1.454 175.875 174.900 -0.799 0.000 1.164 234 G CA 1.253 45.679 45.100 -1.124 0.000 0.768 234 G HN 0.403 nan 8.290 nan 0.000 0.560 235 F N 0.182 119.823 119.950 -0.516 0.000 2.186 235 F HA 0.095 4.623 4.527 0.002 0.000 0.299 235 F C 2.422 177.630 175.800 -0.987 0.000 1.090 235 F CA 0.602 58.188 58.000 -0.691 0.000 1.307 235 F CB -0.822 37.745 39.000 -0.722 0.000 1.019 235 F HN 0.109 nan 8.300 nan 0.000 0.489 236 L N 0.161 121.033 121.223 -0.585 0.000 1.990 236 L HA -0.256 4.086 4.340 0.002 0.000 0.213 236 L C 2.469 178.828 176.870 -0.851 0.000 1.072 236 L CA 1.874 56.301 54.840 -0.688 0.000 0.755 236 L CB -0.843 40.792 42.059 -0.706 0.000 0.889 236 L HN 0.066 nan 8.230 nan 0.000 0.432 237 Q N -0.676 118.666 119.800 -0.763 0.000 2.096 237 Q HA -0.230 4.111 4.340 0.002 0.000 0.204 237 Q C 2.283 178.217 176.000 -0.110 0.000 0.982 237 Q CA 1.951 57.493 55.803 -0.436 0.000 0.850 237 Q CB -0.896 27.640 28.738 -0.338 0.000 0.901 237 Q HN 0.527 nan 8.270 nan 0.000 0.422 238 L N 0.089 121.235 121.223 -0.129 0.000 2.012 238 L HA -0.163 4.178 4.340 0.002 0.000 0.210 238 L C 2.058 179.040 176.870 0.186 0.000 1.073 238 L CA 1.720 56.590 54.840 0.050 0.000 0.748 238 L CB -0.698 41.350 42.059 -0.019 0.000 0.891 238 L HN 0.003 nan 8.230 nan 0.000 0.431 239 F N -0.901 119.094 119.950 0.075 0.000 2.134 239 F HA -0.179 4.349 4.527 0.002 0.000 0.299 239 F C 2.359 178.333 175.800 0.290 0.000 1.097 239 F CA 0.772 58.847 58.000 0.124 0.000 1.264 239 F CB -1.444 37.600 39.000 0.073 0.000 1.001 239 F HN 0.045 nan 8.300 nan 0.000 0.479 240 F N 0.241 120.330 119.950 0.231 0.000 2.095 240 F HA -0.175 4.353 4.527 0.002 0.000 0.298 240 F C 2.411 178.333 175.800 0.205 0.000 1.104 240 F CA 0.854 58.952 58.000 0.163 0.000 1.232 240 F CB -1.567 37.492 39.000 0.097 0.000 0.987 240 F HN -0.044 nan 8.300 nan 0.000 0.475 241 L N -0.936 120.558 121.223 0.451 0.000 2.141 241 L HA -0.189 4.152 4.340 0.002 0.000 0.209 241 L C 2.439 179.591 176.870 0.471 0.000 1.094 241 L CA 0.642 55.767 54.840 0.474 0.000 0.763 241 L CB -0.618 41.766 42.059 0.542 0.000 0.908 241 L HN 0.113 nan 8.230 nan 0.000 0.437 242 L N -0.624 120.833 121.223 0.390 0.000 2.046 242 L HA -0.193 4.148 4.340 0.002 0.000 0.208 242 L C 2.889 179.935 176.870 0.294 0.000 1.077 242 L CA 1.005 56.030 54.840 0.309 0.000 0.747 242 L CB -0.541 41.675 42.059 0.261 0.000 0.896 242 L HN 0.266 nan 8.230 nan 0.000 0.432 243 R N 0.883 121.543 120.500 0.267 0.000 2.120 243 R HA -0.130 4.212 4.340 0.002 0.000 0.234 243 R C 1.990 178.420 176.300 0.216 0.000 1.123 243 R CA 1.412 57.628 56.100 0.194 0.000 0.975 243 R CB -0.337 30.045 30.300 0.136 0.000 0.866 243 R HN 0.378 nan 8.270 nan 0.000 0.446 244 L N 0.066 121.455 121.223 0.277 0.000 2.554 244 L HA -0.022 4.320 4.340 0.002 0.000 0.226 244 L C 1.962 179.084 176.870 0.420 0.000 1.137 244 L CA -0.068 54.961 54.840 0.314 0.000 0.863 244 L CB -0.332 41.925 42.059 0.330 0.000 0.985 244 L HN 0.068 nan 8.230 nan 0.000 0.451 245 F N 2.102 122.203 119.950 0.253 0.000 2.126 245 F HA -0.129 4.400 4.527 0.003 0.000 0.299 245 F C -0.457 175.445 175.800 0.171 0.000 1.096 245 F CA 1.552 59.674 58.000 0.203 0.000 1.255 245 F CB -1.095 37.964 39.000 0.097 0.000 0.997 245 F HN 0.084 nan 8.300 nan 0.000 0.479 246 P HA -0.210 nan 4.420 nan 0.000 0.216 246 P C 1.140 178.495 177.300 0.090 0.000 1.150 246 P CA 1.890 65.067 63.100 0.128 0.000 0.837 246 P CB -0.417 31.383 31.700 0.166 0.000 0.786 247 W N 0.337 121.624 121.300 -0.021 0.000 2.388 247 W HA -0.092 4.569 4.660 0.002 0.000 0.294 247 W C 1.871 178.351 176.519 -0.064 0.000 1.212 247 W CA 1.063 58.392 57.345 -0.027 0.000 1.271 247 W CB -0.788 28.676 29.460 0.006 0.000 1.126 247 W HN -0.217 nan 8.180 nan 0.000 0.535 248 I N 0.993 121.518 120.570 -0.074 0.000 2.208 248 I HA -0.273 3.899 4.170 0.002 0.000 0.245 248 I C 1.847 177.706 176.117 -0.431 0.000 1.097 248 I CA 1.855 62.948 61.300 -0.345 0.000 1.363 248 I CB -0.830 37.102 38.000 -0.112 0.000 1.051 248 I HN 0.013 nan 8.210 nan 0.000 0.413 249 V N -2.262 117.380 119.914 -0.454 0.000 3.170 249 V HA 0.154 4.275 4.120 0.002 0.000 0.354 249 V C 1.590 177.549 176.094 -0.224 0.000 1.350 249 V CA -0.026 62.059 62.300 -0.358 0.000 1.244 249 V CB -0.242 31.323 31.823 -0.430 0.000 1.222 249 V HN 0.386 nan 8.190 nan 0.000 0.478 250 E N 1.178 121.240 120.200 -0.229 0.000 2.130 250 E HA -0.226 4.125 4.350 0.002 0.000 0.196 250 E C 1.326 177.854 176.600 -0.121 0.000 0.998 250 E CA 1.267 57.580 56.400 -0.146 0.000 0.806 250 E CB 0.201 29.795 29.700 -0.176 0.000 0.738 250 E HN 0.518 nan 8.360 nan 0.000 0.459 251 K N -0.058 120.252 120.400 -0.149 0.000 2.387 251 K HA 0.220 4.542 4.320 0.002 0.000 0.198 251 K C 0.150 176.699 176.600 -0.086 0.000 1.022 251 K CA 0.672 56.894 56.287 -0.108 0.000 1.128 251 K CB 0.965 33.392 32.500 -0.121 0.000 0.853 251 K HN 0.269 nan 8.250 nan 0.000 0.523 252 G N 0.676 109.422 108.800 -0.091 0.000 2.484 252 G HA2 -0.121 3.840 3.960 0.002 0.000 0.685 252 G HA3 -0.121 3.840 3.960 0.002 0.000 0.685 252 G C -1.035 173.827 174.900 -0.063 0.000 1.294 252 G CA -1.124 43.939 45.100 -0.061 0.000 0.879 252 G HN 0.053 nan 8.290 nan 0.000 0.646 253 L N 1.496 122.698 121.223 -0.035 0.000 2.453 253 L HA 0.437 4.778 4.340 0.002 0.000 0.272 253 L C 0.737 177.609 176.870 0.004 0.000 1.182 253 L CA -0.088 54.743 54.840 -0.014 0.000 0.858 253 L CB 0.587 42.648 42.059 0.003 0.000 1.120 253 L HN 0.937 nan 8.230 nan 0.000 0.474 254 N N 1.304 120.014 118.700 0.016 0.000 2.825 254 N HA 0.213 4.954 4.740 0.002 0.000 0.253 254 N C 0.120 175.671 175.510 0.068 0.000 1.426 254 N CA -0.878 52.194 53.050 0.037 0.000 0.851 254 N CB 0.809 39.300 38.487 0.006 0.000 1.470 254 N HN 0.365 nan 8.380 nan 0.000 0.517 255 I N 0.248 120.865 120.570 0.078 0.000 2.530 255 I HA 0.066 4.237 4.170 0.002 0.000 0.257 255 I C 1.844 178.034 176.117 0.122 0.000 1.179 255 I CA 1.532 62.909 61.300 0.127 0.000 1.440 255 I CB -0.646 37.346 38.000 -0.013 0.000 1.087 255 I HN 0.864 nan 8.210 nan 0.000 0.440 256 G N 0.028 108.855 108.800 0.044 0.000 2.535 256 G HA2 -0.182 3.779 3.960 0.002 0.000 0.218 256 G HA3 -0.182 3.779 3.960 0.002 0.000 0.218 256 G C 1.556 176.560 174.900 0.174 0.000 1.122 256 G CA 0.403 45.541 45.100 0.063 0.000 0.769 256 G HN 0.461 nan 8.290 nan 0.000 0.549 257 L N -1.290 120.045 121.223 0.187 0.000 2.456 257 L HA 0.010 4.352 4.340 0.002 0.000 0.224 257 L C 2.319 179.344 176.870 0.259 0.000 1.148 257 L CA 0.110 55.114 54.840 0.273 0.000 0.825 257 L CB -0.256 41.910 42.059 0.178 0.000 0.937 257 L HN 0.313 nan 8.230 nan 0.000 0.450 258 W N 0.013 121.401 121.300 0.147 0.000 2.424 258 W HA -0.210 4.451 4.660 0.002 0.000 0.264 258 W C 2.539 179.165 176.519 0.179 0.000 1.229 258 W CA 0.977 58.403 57.345 0.136 0.000 1.208 258 W CB -0.225 29.265 29.460 0.050 0.000 1.127 258 W HN 0.161 nan 8.180 nan 0.000 0.588 259 A N -0.538 122.495 122.820 0.356 0.000 1.986 259 A HA -0.235 4.086 4.320 0.002 0.000 0.220 259 A C 1.606 179.316 177.584 0.209 0.000 1.171 259 A CA 1.453 53.644 52.037 0.258 0.000 0.640 259 A CB -1.156 17.936 19.000 0.154 0.000 0.811 259 A HN 0.330 nan 8.150 nan 0.000 0.451 260 F N 0.816 120.887 119.950 0.201 0.000 2.502 260 F HA -0.115 4.414 4.527 0.004 0.000 0.298 260 F C 2.793 178.685 175.800 0.154 0.000 1.111 260 F CA 1.290 59.390 58.000 0.166 0.000 1.445 260 F CB -0.123 38.945 39.000 0.113 0.000 1.081 260 F HN 0.372 nan 8.300 nan 0.000 0.558 261 S N -0.326 115.579 115.700 0.342 0.000 2.423 261 S HA -0.214 4.257 4.470 0.002 0.000 0.231 261 S C 2.095 176.898 174.600 0.339 0.000 1.014 261 S CA 0.639 59.005 58.200 0.277 0.000 0.965 261 S CB -0.975 62.453 63.200 0.379 0.000 0.785 261 S HN 0.286 nan 8.310 nan 0.000 0.495 262 F N 3.223 123.286 119.950 0.189 0.000 2.084 262 F HA 0.182 4.710 4.527 0.002 0.000 0.296 262 F C 2.510 178.378 175.800 0.114 0.000 1.111 262 F CA 0.792 58.880 58.000 0.147 0.000 1.224 262 F CB -1.328 37.755 39.000 0.138 0.000 0.991 262 F HN 0.321 nan 8.300 nan 0.000 0.471 263 G N 0.378 109.328 108.800 0.251 0.000 2.408 263 G HA2 -0.191 3.770 3.960 0.002 0.000 0.217 263 G HA3 -0.191 3.770 3.960 0.002 0.000 0.217 263 G C 1.956 176.881 174.900 0.042 0.000 1.150 263 G CA 0.813 45.987 45.100 0.123 0.000 0.776 263 G HN 0.403 nan 8.290 nan 0.000 0.542 264 L N 0.635 121.913 121.223 0.091 0.000 2.017 264 L HA -0.086 4.255 4.340 0.002 0.000 0.208 264 L C 3.388 180.236 176.870 -0.036 0.000 1.073 264 L CA 1.197 56.030 54.840 -0.011 0.000 0.745 264 L CB -0.354 41.717 42.059 0.021 0.000 0.894 264 L HN 0.309 nan 8.230 nan 0.000 0.432 265 A N -1.125 121.742 122.820 0.079 0.000 1.929 265 A HA -0.142 4.179 4.320 0.002 0.000 0.216 265 A C 2.466 180.116 177.584 0.110 0.000 1.176 265 A CA 1.796 53.891 52.037 0.097 0.000 0.628 265 A CB -0.448 18.660 19.000 0.180 0.000 0.816 265 A HN 0.357 nan 8.150 nan 0.000 0.444 266 S N -0.866 114.916 115.700 0.136 0.000 2.406 266 S HA -0.099 4.373 4.470 0.002 0.000 0.228 266 S C 1.954 176.605 174.600 0.084 0.000 1.020 266 S CA 1.352 59.637 58.200 0.142 0.000 0.965 266 S CB -0.312 62.968 63.200 0.132 0.000 0.798 266 S HN 0.654 nan 8.310 nan 0.000 0.488 267 M N 1.492 120.977 119.600 -0.191 0.000 2.117 267 M HA -0.113 4.368 4.480 0.002 0.000 0.262 267 M C 2.127 178.400 176.300 -0.044 0.000 1.065 267 M CA 1.554 56.564 55.300 -0.484 0.000 1.114 267 M CB -0.329 31.618 32.600 -1.088 0.000 1.361 267 M HN 0.367 nan 8.290 nan 0.000 0.408 268 A N 0.681 123.482 122.820 -0.031 0.000 1.902 268 A HA -0.206 4.115 4.320 0.002 0.000 0.217 268 A C 1.957 179.727 177.584 0.310 0.000 1.181 268 A CA 1.964 54.049 52.037 0.079 0.000 0.623 268 A CB -1.142 17.715 19.000 -0.238 0.000 0.818 268 A HN 0.688 nan 8.150 nan 0.000 0.443 269 N N 0.648 119.499 118.700 0.251 0.000 2.058 269 N HA -0.173 4.568 4.740 0.002 0.000 0.191 269 N C 2.073 177.778 175.510 0.324 0.000 1.037 269 N CA 2.372 55.612 53.050 0.317 0.000 0.848 269 N CB -0.275 38.381 38.487 0.281 0.000 1.021 269 N HN 0.520 nan 8.380 nan 0.000 0.422 270 S N 0.387 116.287 115.700 0.333 0.000 2.382 270 S HA -0.013 4.458 4.470 0.002 0.000 0.228 270 S C 2.275 177.144 174.600 0.449 0.000 1.027 270 S CA 1.224 59.651 58.200 0.379 0.000 0.991 270 S CB -0.618 62.880 63.200 0.497 0.000 0.823 270 S HN 0.432 nan 8.310 nan 0.000 0.469 271 A N 2.412 125.565 122.820 0.555 0.000 1.940 271 A HA -0.096 4.225 4.320 0.002 0.000 0.219 271 A C 2.604 180.425 177.584 0.395 0.000 1.176 271 A CA 2.473 54.864 52.037 0.590 0.000 0.631 271 A CB -1.928 17.418 19.000 0.577 0.000 0.814 271 A HN 0.844 nan 8.150 nan 0.000 0.446 272 T N -1.993 112.741 114.554 0.299 0.000 2.759 272 T HA -0.041 4.311 4.350 0.002 0.000 0.269 272 T C 1.883 176.779 174.700 0.326 0.000 1.042 272 T CA 1.944 64.175 62.100 0.219 0.000 1.140 272 T CB -0.606 68.391 68.868 0.216 0.000 0.864 272 T HN 0.621 nan 8.240 nan 0.000 0.455 273 A N 0.439 123.404 122.820 0.241 0.000 1.929 273 A HA 0.230 4.552 4.320 0.002 0.000 0.216 273 A C 2.022 179.635 177.584 0.049 0.000 1.176 273 A CA 0.923 53.021 52.037 0.102 0.000 0.628 273 A CB -1.018 17.960 19.000 -0.038 0.000 0.816 273 A HN 0.479 nan 8.150 nan 0.000 0.444 274 F N -1.725 118.177 119.950 -0.079 0.000 2.134 274 F HA -0.140 4.388 4.527 0.002 0.000 0.299 274 F C 2.190 177.995 175.800 0.008 0.000 1.097 274 F CA 1.690 59.602 58.000 -0.148 0.000 1.264 274 F CB -0.736 38.021 39.000 -0.404 0.000 1.001 274 F HN 0.403 nan 8.300 nan 0.000 0.479 275 Y N -0.056 120.342 120.300 0.163 0.000 2.114 275 Y HA -0.280 4.272 4.550 0.004 0.000 0.284 275 Y C 2.914 178.810 175.900 -0.008 0.000 1.143 275 Y CA 1.983 60.114 58.100 0.052 0.000 1.135 275 Y CB -0.674 37.768 38.460 -0.030 0.000 0.980 275 Y HN 0.047 nan 8.280 nan 0.000 0.499 276 H N -1.307 117.838 119.070 0.125 0.000 2.390 276 H HA -0.126 4.431 4.556 0.003 0.000 0.298 276 H C 2.107 177.383 175.328 -0.086 0.000 1.106 276 H CA 1.433 57.490 56.048 0.015 0.000 1.297 276 H CB -0.605 29.161 29.762 0.007 0.000 1.375 276 H HN 0.493 nan 8.280 nan 0.000 0.509 277 G N 0.174 108.976 108.800 0.004 0.000 2.985 277 G HA2 -0.158 3.804 3.960 0.002 0.000 0.209 277 G HA3 -0.158 3.804 3.960 0.002 0.000 0.209 277 G C 0.460 175.295 174.900 -0.109 0.000 1.165 277 G CA 0.256 45.302 45.100 -0.091 0.000 0.776 277 G HN 0.373 nan 8.290 nan 0.000 0.541 278 N N -0.914 117.702 118.700 -0.139 0.000 2.725 278 N HA -0.187 4.555 4.740 0.002 0.000 0.251 278 N C -0.737 174.729 175.510 -0.073 0.000 1.031 278 N CA 0.624 53.578 53.050 -0.161 0.000 0.720 278 N CB -1.299 37.102 38.487 -0.143 0.000 0.930 278 N HN 0.102 nan 8.380 nan 0.000 0.543 279 V N 2.020 121.924 119.914 -0.016 0.000 2.444 279 V HA 0.420 4.542 4.120 0.002 0.000 0.294 279 V C 1.050 177.296 176.094 0.254 0.000 1.022 279 V CA -0.712 61.648 62.300 0.098 0.000 0.850 279 V CB 1.527 33.378 31.823 0.046 0.000 0.992 279 V HN 0.360 nan 8.190 nan 0.000 0.426 280 L N 4.554 125.911 121.223 0.223 0.000 3.677 280 L HA -0.276 4.066 4.340 0.002 0.000 0.464 280 L C 1.781 178.823 176.870 0.286 0.000 1.278 280 L CA 0.399 55.402 54.840 0.273 0.000 0.806 280 L CB -1.086 41.224 42.059 0.418 0.000 1.610 280 L HN 0.777 nan 8.230 nan 0.000 0.867 281 Q N 0.256 120.159 119.800 0.172 0.000 2.124 281 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 281 Q C 2.139 178.313 176.000 0.290 0.000 0.977 281 Q CA 1.719 57.643 55.803 0.201 0.000 0.850 281 Q CB 0.003 28.711 28.738 -0.050 0.000 0.901 281 Q HN 0.841 nan 8.270 nan 0.000 0.429 282 G N 0.290 109.204 108.800 0.191 0.000 2.402 282 G HA2 -0.203 3.758 3.960 0.002 0.000 0.216 282 G HA3 -0.203 3.758 3.960 0.002 0.000 0.216 282 G C 1.518 176.527 174.900 0.181 0.000 1.162 282 G CA 0.804 46.000 45.100 0.161 0.000 0.777 282 G HN 0.205 nan 8.290 nan 0.000 0.539 283 V N 2.020 122.032 119.914 0.164 0.000 2.332 283 V HA -0.230 3.892 4.120 0.002 0.000 0.248 283 V C 3.291 179.568 176.094 0.306 0.000 1.055 283 V CA 2.414 64.792 62.300 0.131 0.000 1.038 283 V CB -0.681 31.150 31.823 0.014 0.000 0.651 283 V HN 0.628 nan 8.190 nan 0.000 0.450 284 S N 0.142 116.115 115.700 0.455 0.000 2.368 284 S HA -0.161 4.311 4.470 0.002 0.000 0.225 284 S C 1.970 176.775 174.600 0.342 0.000 1.030 284 S CA 1.674 60.200 58.200 0.543 0.000 0.999 284 S CB -0.670 62.892 63.200 0.604 0.000 0.844 284 S HN 0.528 nan 8.310 nan 0.000 0.459 285 I N 0.808 121.535 120.570 0.262 0.000 2.179 285 I HA -0.101 4.070 4.170 0.002 0.000 0.242 285 I C 2.403 178.623 176.117 0.171 0.000 1.088 285 I CA 1.807 63.191 61.300 0.140 0.000 1.357 285 I CB -0.485 37.574 38.000 0.099 0.000 1.051 285 I HN 0.352 nan 8.210 nan 0.000 0.409 286 F N 1.983 121.983 119.950 0.085 0.000 2.095 286 F HA -0.254 4.274 4.527 0.002 0.000 0.298 286 F C 2.457 178.310 175.800 0.088 0.000 1.104 286 F CA 1.544 59.577 58.000 0.055 0.000 1.232 286 F CB -0.537 38.446 39.000 -0.029 0.000 0.987 286 F HN -0.005 nan 8.300 nan 0.000 0.475 287 A N 0.156 122.908 122.820 -0.114 0.000 1.908 287 A HA -0.223 4.098 4.320 0.002 0.000 0.218 287 A C 2.218 179.719 177.584 -0.138 0.000 1.181 287 A CA 1.779 53.691 52.037 -0.208 0.000 0.627 287 A CB -1.718 17.345 19.000 0.105 0.000 0.818 287 A HN 0.591 nan 8.150 nan 0.000 0.445 288 F N 0.324 120.200 119.950 -0.123 0.000 2.146 288 F HA -0.110 4.417 4.527 0.001 0.000 0.298 288 F C 2.269 177.972 175.800 -0.162 0.000 1.096 288 F CA 1.805 59.720 58.000 -0.141 0.000 1.275 288 F CB -0.135 38.764 39.000 -0.169 0.000 1.008 288 F HN 0.032 nan 8.300 nan 0.000 0.480 289 V N 0.039 119.937 119.914 -0.027 0.000 2.307 289 V HA -0.294 3.827 4.120 0.002 0.000 0.245 289 V C 2.182 178.167 176.094 -0.182 0.000 1.045 289 V CA 2.063 64.319 62.300 -0.073 0.000 1.024 289 V CB -0.992 30.832 31.823 0.003 0.000 0.651 289 V HN 0.444 nan 8.190 nan 0.000 0.449 290 F N 1.302 120.980 119.950 -0.454 0.000 2.065 290 F HA -0.268 4.261 4.527 0.003 0.000 0.298 290 F C 2.633 178.220 175.800 -0.355 0.000 1.112 290 F CA 2.243 59.958 58.000 -0.474 0.000 1.212 290 F CB -0.419 38.072 39.000 -0.849 0.000 0.975 290 F HN 0.079 nan 8.300 nan 0.000 0.476 291 S N 0.468 116.031 115.700 -0.228 0.000 2.370 291 S HA -0.210 4.261 4.470 0.002 0.000 0.226 291 S C 1.825 176.238 174.600 -0.311 0.000 1.033 291 S CA 1.365 59.405 58.200 -0.266 0.000 1.011 291 S CB -0.539 62.514 63.200 -0.244 0.000 0.852 291 S HN 0.493 nan 8.310 nan 0.000 0.457 292 N N 0.919 119.423 118.700 -0.328 0.000 2.142 292 N HA -0.056 4.685 4.740 0.002 0.000 0.186 292 N C 1.764 177.161 175.510 -0.189 0.000 1.023 292 N CA 1.069 53.994 53.050 -0.207 0.000 0.852 292 N CB -0.297 38.107 38.487 -0.138 0.000 0.998 292 N HN 0.199 nan 8.380 nan 0.000 0.424 293 V N 1.827 121.591 119.914 -0.250 0.000 2.343 293 V HA -0.199 3.922 4.120 0.002 0.000 0.247 293 V C 2.443 178.339 176.094 -0.330 0.000 1.051 293 V CA 1.210 63.358 62.300 -0.253 0.000 1.036 293 V CB -0.304 31.359 31.823 -0.265 0.000 0.654 293 V HN 0.260 nan 8.190 nan 0.000 0.451 294 M N -0.741 118.573 119.600 -0.476 0.000 2.099 294 M HA -0.059 4.422 4.480 0.002 0.000 0.262 294 M C 2.196 178.272 176.300 -0.374 0.000 1.067 294 M CA 1.812 56.814 55.300 -0.496 0.000 1.124 294 M CB -1.013 31.200 32.600 -0.644 0.000 1.353 294 M HN 0.266 nan 8.290 nan 0.000 0.410 295 I N -0.307 120.081 120.570 -0.304 0.000 2.286 295 I HA -0.189 3.982 4.170 0.002 0.000 0.248 295 I C 2.501 178.483 176.117 -0.224 0.000 1.115 295 I CA 1.228 62.364 61.300 -0.273 0.000 1.392 295 I CB -0.966 36.955 38.000 -0.132 0.000 1.065 295 I HN 0.329 nan 8.210 nan 0.000 0.418 296 G N 1.228 109.929 108.800 -0.165 0.000 2.418 296 G HA2 -0.181 3.780 3.960 0.002 0.000 0.217 296 G HA3 -0.181 3.780 3.960 0.002 0.000 0.217 296 G C 1.707 176.529 174.900 -0.129 0.000 1.158 296 G CA 0.447 45.483 45.100 -0.107 0.000 0.771 296 G HN 0.259 nan 8.290 nan 0.000 0.545 297 L N -0.124 120.985 121.223 -0.190 0.000 2.046 297 L HA -0.037 4.305 4.340 0.002 0.000 0.208 297 L C 2.936 179.686 176.870 -0.199 0.000 1.077 297 L CA 0.620 55.348 54.840 -0.186 0.000 0.747 297 L CB -0.488 41.433 42.059 -0.230 0.000 0.896 297 L HN 0.190 nan 8.230 nan 0.000 0.432 298 L N -0.865 120.159 121.223 -0.331 0.000 2.042 298 L HA -0.225 4.116 4.340 0.002 0.000 0.210 298 L C 2.553 179.329 176.870 -0.158 0.000 1.076 298 L CA 0.981 55.531 54.840 -0.484 0.000 0.749 298 L CB -0.611 40.721 42.059 -1.212 0.000 0.893 298 L HN 0.068 nan 8.230 nan 0.000 0.432 299 V N 0.006 119.897 119.914 -0.039 0.000 2.343 299 V HA -0.290 3.832 4.120 0.002 0.000 0.247 299 V C 2.375 178.549 176.094 0.132 0.000 1.051 299 V CA 1.661 64.079 62.300 0.197 0.000 1.036 299 V CB -0.355 31.557 31.823 0.148 0.000 0.654 299 V HN 0.348 nan 8.190 nan 0.000 0.451 300 L N -1.046 120.204 121.223 0.045 0.000 2.056 300 L HA -0.216 4.126 4.340 0.002 0.000 0.207 300 L C 2.514 179.438 176.870 0.089 0.000 1.078 300 L CA 1.980 56.847 54.840 0.046 0.000 0.749 300 L CB -0.489 41.566 42.059 -0.007 0.000 0.901 300 L HN 0.369 nan 8.230 nan 0.000 0.433 301 M N -0.468 119.169 119.600 0.061 0.000 2.108 301 M HA -0.237 4.245 4.480 0.002 0.000 0.261 301 M C 2.137 178.581 176.300 0.240 0.000 1.066 301 M CA 2.168 57.532 55.300 0.107 0.000 1.107 301 M CB -0.188 32.442 32.600 0.049 0.000 1.356 301 M HN 0.165 nan 8.290 nan 0.000 0.406 302 T N 1.045 115.763 114.554 0.274 0.000 2.812 302 T HA -0.036 4.315 4.350 0.002 0.000 0.264 302 T C 1.727 176.516 174.700 0.148 0.000 1.042 302 T CA 1.527 63.830 62.100 0.338 0.000 1.140 302 T CB -0.327 68.839 68.868 0.497 0.000 0.870 302 T HN 0.413 nan 8.240 nan 0.000 0.445 303 I N 0.042 120.680 120.570 0.115 0.000 2.226 303 I HA -0.181 3.990 4.170 0.002 0.000 0.245 303 I C 2.235 178.388 176.117 0.059 0.000 1.100 303 I CA 1.424 62.746 61.300 0.036 0.000 1.374 303 I CB -0.370 37.658 38.000 0.046 0.000 1.057 303 I HN 0.218 nan 8.210 nan 0.000 0.413 304 Y N 2.142 122.450 120.300 0.012 0.000 2.053 304 Y HA -0.353 4.197 4.550 0.000 0.000 0.277 304 Y C 2.542 178.454 175.900 0.020 0.000 1.159 304 Y CA 1.903 60.011 58.100 0.014 0.000 1.125 304 Y CB -0.267 38.207 38.460 0.023 0.000 0.969 304 Y HN -0.041 nan 8.280 nan 0.000 0.492 305 K N -0.014 120.479 120.400 0.154 0.000 2.103 305 K HA -0.198 4.123 4.320 0.002 0.000 0.207 305 K C 2.158 178.741 176.600 -0.028 0.000 1.048 305 K CA 1.676 58.014 56.287 0.085 0.000 0.930 305 K CB -0.380 32.279 32.500 0.266 0.000 0.716 305 K HN 0.391 nan 8.250 nan 0.000 0.444 306 L N 0.771 121.937 121.223 -0.095 0.000 2.083 306 L HA -0.158 4.183 4.340 0.002 0.000 0.209 306 L C 2.437 179.215 176.870 -0.153 0.000 1.083 306 L CA 1.545 56.255 54.840 -0.215 0.000 0.752 306 L CB -0.555 41.295 42.059 -0.349 0.000 0.899 306 L HN 0.373 nan 8.230 nan 0.000 0.433 307 T N -4.203 110.255 114.554 -0.161 0.000 3.148 307 T HA -0.013 4.339 4.350 0.002 0.000 0.253 307 T C 1.216 175.806 174.700 -0.183 0.000 1.134 307 T CA 0.225 62.233 62.100 -0.155 0.000 1.051 307 T CB 0.009 68.789 68.868 -0.146 0.000 0.959 307 T HN 0.128 nan 8.240 nan 0.000 0.525 308 K N 0.544 120.822 120.400 -0.203 0.000 2.478 308 K HA 0.357 4.678 4.320 0.002 0.000 0.205 308 K C 1.419 177.965 176.600 -0.090 0.000 1.033 308 K CA 0.263 56.442 56.287 -0.180 0.000 1.091 308 K CB 0.625 32.960 32.500 -0.274 0.000 0.844 308 K HN 0.438 nan 8.250 nan 0.000 0.507 309 G N 1.987 110.748 108.800 -0.064 0.000 2.175 309 G HA2 -0.369 3.592 3.960 0.002 0.000 0.265 309 G HA3 -0.369 3.592 3.960 0.002 0.000 0.265 309 G C 0.488 175.393 174.900 0.008 0.000 0.979 309 G CA 1.048 46.133 45.100 -0.025 0.000 0.663 309 G HN 0.406 nan 8.290 nan 0.000 0.533 310 Q N -2.012 117.802 119.800 0.024 0.000 2.763 310 Q HA 0.658 4.999 4.340 0.002 0.000 0.248 310 Q C 1.271 177.373 176.000 0.169 0.000 1.149 310 Q CA 0.169 56.016 55.803 0.075 0.000 0.781 310 Q CB 0.170 28.960 28.738 0.087 0.000 4.267 310 Q HN 0.888 nan 8.270 nan 0.000 0.430 311 F N -1.731 118.212 119.950 -0.011 0.000 2.525 311 F HA -0.395 4.134 4.527 0.003 0.000 0.754 311 F C -0.151 175.612 175.800 -0.061 0.000 0.493 311 F CA 0.969 58.950 58.000 -0.032 0.000 0.761 311 F CB -0.962 37.915 39.000 -0.205 0.000 1.599 311 F HN 0.367 nan 8.300 nan 0.000 0.278 312 F N 2.900 122.881 119.950 0.051 0.000 2.586 312 F HA 0.209 4.737 4.527 0.003 0.000 0.344 312 F C 1.012 176.587 175.800 -0.375 0.000 1.188 312 F CA 0.317 58.092 58.000 -0.375 0.000 1.359 312 F CB -0.127 38.559 39.000 -0.524 0.000 1.129 312 F HN 0.141 nan 8.300 nan 0.000 0.609 313 L N 0.000 121.130 121.223 -0.154 0.000 2.949 313 L HA 0.000 4.341 4.340 0.002 0.000 0.249 313 L CA 0.000 54.773 54.840 -0.111 0.000 0.813 313 L CB 0.000 42.063 42.059 0.007 0.000 0.961 313 L HN 0.000 nan 8.230 nan 0.000 0.502