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 1rti_1_B DATA FIRST_RESID 5 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFXXXXXXX PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFRKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL TTPXXXXXXX XXXXXXGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLLR GTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE ARMRGAHTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWYQLEKEPI VGA 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 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.149 176.117 0.053 0.000 1.063 5 I CA 0.000 61.334 61.300 0.057 0.000 1.566 5 I CB 0.000 38.042 38.000 0.071 0.000 1.214 6 E N 3.510 123.737 120.200 0.044 0.000 2.415 6 E HA 0.416 4.769 4.350 0.004 0.000 0.262 6 E C -0.343 176.285 176.600 0.047 0.000 1.038 6 E CA 0.365 56.789 56.400 0.041 0.000 0.921 6 E CB 0.733 30.453 29.700 0.033 0.000 0.950 6 E HN 0.647 nan 8.360 nan 0.000 0.438 7 T N 0.641 115.225 114.554 0.050 0.000 2.863 7 T HA 0.431 4.783 4.350 0.004 0.000 0.285 7 T C -0.485 174.247 174.700 0.053 0.000 1.009 7 T CA -1.002 61.132 62.100 0.057 0.000 0.989 7 T CB 1.421 70.330 68.868 0.068 0.000 1.004 7 T HN 0.363 nan 8.240 nan 0.000 0.455 8 V N 4.649 124.594 119.914 0.052 0.000 2.488 8 V HA 0.431 4.553 4.120 0.004 0.000 0.277 8 V C -2.140 173.996 176.094 0.070 0.000 1.046 8 V CA -2.115 60.217 62.300 0.053 0.000 0.986 8 V CB 0.513 32.358 31.823 0.037 0.000 0.989 8 V HN 0.870 nan 8.190 nan 0.000 0.475 9 P HA 0.176 nan 4.420 nan 0.000 0.270 9 P C -0.707 176.648 177.300 0.092 0.000 1.242 9 P CA 0.146 63.297 63.100 0.086 0.000 0.768 9 P CB 1.012 32.761 31.700 0.080 0.000 0.820 10 V N 5.200 125.156 119.914 0.069 0.000 2.630 10 V HA 0.486 4.608 4.120 0.004 0.000 0.305 10 V C 0.578 176.734 176.094 0.103 0.000 1.046 10 V CA -0.304 62.000 62.300 0.006 0.000 0.934 10 V CB 1.546 33.229 31.823 -0.234 0.000 1.003 10 V HN 0.643 nan 8.190 nan 0.000 0.451 11 K N 3.438 123.912 120.400 0.124 0.000 2.509 11 K HA 0.781 5.104 4.320 0.004 0.000 0.266 11 K C -1.430 175.306 176.600 0.227 0.000 0.987 11 K CA -0.961 55.481 56.287 0.258 0.000 0.868 11 K CB 1.763 34.347 32.500 0.140 0.000 1.421 11 K HN 0.382 nan 8.250 nan 0.000 0.444 12 L N 1.488 122.820 121.223 0.182 0.000 2.421 12 L HA 0.348 4.690 4.340 0.004 0.000 0.263 12 L C 0.187 177.049 176.870 -0.014 0.000 1.122 12 L CA -0.958 53.906 54.840 0.041 0.000 0.804 12 L CB 0.827 42.793 42.059 -0.155 0.000 1.150 12 L HN 0.581 nan 8.230 nan 0.000 0.457 13 K N 2.223 122.598 120.400 -0.043 0.000 2.469 13 K HA 0.088 4.410 4.320 0.004 0.000 0.274 13 K C -2.175 174.402 176.600 -0.038 0.000 0.983 13 K CA -1.307 54.949 56.287 -0.052 0.000 0.974 13 K CB -0.088 32.379 32.500 -0.055 0.000 0.913 13 K HN 0.336 nan 8.250 nan 0.000 0.493 14 P HA -0.129 nan 4.420 nan 0.000 0.261 14 P C 0.621 177.911 177.300 -0.016 0.000 1.183 14 P CA 0.835 63.925 63.100 -0.017 0.000 0.761 14 P CB 0.551 32.242 31.700 -0.015 0.000 0.785 15 G N 2.414 111.208 108.800 -0.010 0.000 2.241 15 G HA2 -0.224 3.738 3.960 0.004 0.000 0.244 15 G HA3 -0.224 3.738 3.960 0.004 0.000 0.244 15 G C 0.342 175.234 174.900 -0.015 0.000 0.998 15 G CA -0.176 44.919 45.100 -0.007 0.000 0.621 15 G HN 0.440 nan 8.290 nan 0.000 0.519 16 M N 0.788 120.367 119.600 -0.034 0.000 2.228 16 M HA 0.551 5.034 4.480 0.004 0.000 0.326 16 M C 0.187 176.439 176.300 -0.081 0.000 1.122 16 M CA 0.010 55.277 55.300 -0.056 0.000 1.161 16 M CB 0.882 33.436 32.600 -0.077 0.000 1.437 16 M HN 0.330 nan 8.290 nan 0.000 0.465 17 D N -0.320 120.027 120.400 -0.087 0.000 2.450 17 D HA 0.592 5.234 4.640 0.004 0.000 0.238 17 D C -0.183 175.972 176.300 -0.242 0.000 1.020 17 D CA -0.300 53.647 54.000 -0.088 0.000 1.010 17 D CB 1.469 42.303 40.800 0.056 0.000 1.342 17 D HN 0.687 nan 8.370 nan 0.000 0.530 18 G N 0.815 109.355 108.800 -0.432 0.000 2.554 18 G HA2 0.316 4.278 3.960 0.004 0.000 0.238 18 G HA3 0.316 4.278 3.960 0.004 0.000 0.238 18 G C -2.166 172.606 174.900 -0.214 0.000 1.259 18 G CA -0.821 43.781 45.100 -0.830 0.000 0.843 18 G HN 0.451 nan 8.290 nan 0.000 0.582 19 P HA 0.215 nan 4.420 nan 0.000 0.271 19 P C -0.752 176.656 177.300 0.179 0.000 1.216 19 P CA -0.061 63.070 63.100 0.051 0.000 0.776 19 P CB 1.105 32.840 31.700 0.059 0.000 0.881 20 K N 1.657 122.150 120.400 0.154 0.000 3.206 20 K HA 0.282 4.604 4.320 0.004 0.000 0.180 20 K C -0.444 176.215 176.600 0.098 0.000 1.088 20 K CA -0.502 55.875 56.287 0.149 0.000 0.872 20 K CB 0.900 33.483 32.500 0.139 0.000 0.976 20 K HN 0.202 nan 8.250 nan 0.000 0.564 21 V N 1.488 121.456 119.914 0.090 0.000 2.775 21 V HA 0.125 4.247 4.120 0.004 0.000 0.299 21 V C 0.330 176.448 176.094 0.040 0.000 1.062 21 V CA -0.533 61.813 62.300 0.077 0.000 1.063 21 V CB 0.690 32.562 31.823 0.081 0.000 0.994 21 V HN 0.292 nan 8.190 nan 0.000 0.483 22 K N 2.450 122.883 120.400 0.054 0.000 2.205 22 K HA 0.403 4.725 4.320 0.004 0.000 0.279 22 K C -0.164 176.406 176.600 -0.049 0.000 1.027 22 K CA -0.425 55.878 56.287 0.027 0.000 0.932 22 K CB 0.508 33.049 32.500 0.069 0.000 1.032 22 K HN 0.640 nan 8.250 nan 0.000 0.466 23 Q N 2.741 122.478 119.800 -0.106 0.000 2.313 23 Q HA 0.084 4.427 4.340 0.004 0.000 0.266 23 Q C -1.029 174.913 176.000 -0.098 0.000 0.989 23 Q CA -0.044 55.613 55.803 -0.244 0.000 0.890 23 Q CB 0.505 29.149 28.738 -0.157 0.000 1.200 23 Q HN 0.415 nan 8.270 nan 0.000 0.396 24 W N 4.740 126.029 121.300 -0.018 0.000 2.251 24 W HA 0.358 5.020 4.660 0.004 0.000 0.329 24 W C -2.155 174.322 176.519 -0.070 0.000 1.234 24 W CA -2.726 54.586 57.345 -0.054 0.000 1.228 24 W CB -0.665 28.738 29.460 -0.095 0.000 1.135 24 W HN 0.559 nan 8.180 nan 0.000 0.576 25 P HA 0.130 nan 4.420 nan 0.000 0.268 25 P C -0.391 176.924 177.300 0.024 0.000 1.204 25 P CA 0.367 63.490 63.100 0.039 0.000 0.768 25 P CB 0.541 32.240 31.700 -0.001 0.000 0.842 26 L N 1.956 123.178 121.223 -0.002 0.000 2.354 26 L HA 0.497 4.840 4.340 0.004 0.000 0.269 26 L C 0.718 177.558 176.870 -0.051 0.000 1.005 26 L CA -0.878 53.949 54.840 -0.022 0.000 0.819 26 L CB 1.891 43.939 42.059 -0.017 0.000 1.311 26 L HN 0.305 nan 8.230 nan 0.000 0.423 27 T N -3.045 111.471 114.554 -0.064 0.000 2.918 27 T HA 0.042 4.394 4.350 0.004 0.000 0.302 27 T C 0.930 175.581 174.700 -0.083 0.000 1.045 27 T CA -0.439 61.625 62.100 -0.059 0.000 1.114 27 T CB 1.435 70.280 68.868 -0.039 0.000 0.965 27 T HN 0.805 nan 8.240 nan 0.000 0.540 28 E N 1.026 121.188 120.200 -0.064 0.000 2.086 28 E HA -0.345 4.007 4.350 0.004 0.000 0.205 28 E C 1.886 178.416 176.600 -0.117 0.000 1.027 28 E CA 1.995 58.351 56.400 -0.073 0.000 0.830 28 E CB -0.178 29.495 29.700 -0.045 0.000 0.751 28 E HN 0.923 nan 8.360 nan 0.000 0.456 29 E N 0.766 120.901 120.200 -0.109 0.000 2.082 29 E HA -0.325 4.027 4.350 0.004 0.000 0.215 29 E C 2.087 178.453 176.600 -0.390 0.000 1.048 29 E CA 2.687 58.993 56.400 -0.157 0.000 0.869 29 E CB -0.285 29.383 29.700 -0.053 0.000 0.773 29 E HN 0.402 nan 8.360 nan 0.000 0.466 30 K N 0.015 120.117 120.400 -0.498 0.000 2.288 30 K HA -0.072 4.250 4.320 0.004 0.000 0.201 30 K C 2.253 178.586 176.600 -0.446 0.000 1.048 30 K CA 1.391 57.218 56.287 -0.767 0.000 0.956 30 K CB -0.270 31.842 32.500 -0.647 0.000 0.746 30 K HN 0.280 nan 8.250 nan 0.000 0.461 31 I N 1.831 122.243 120.570 -0.264 0.000 2.252 31 I HA -0.227 3.945 4.170 0.004 0.000 0.245 31 I C 2.263 178.282 176.117 -0.163 0.000 1.102 31 I CA 1.332 62.534 61.300 -0.163 0.000 1.385 31 I CB -0.224 37.714 38.000 -0.103 0.000 1.064 31 I HN 0.186 nan 8.210 nan 0.000 0.414 32 K N 1.087 121.376 120.400 -0.186 0.000 2.009 32 K HA -0.187 4.136 4.320 0.004 0.000 0.210 32 K C 2.324 178.820 176.600 -0.175 0.000 1.049 32 K CA 1.679 57.877 56.287 -0.148 0.000 0.929 32 K CB -0.371 32.049 32.500 -0.133 0.000 0.714 32 K HN 0.303 nan 8.250 nan 0.000 0.440 33 A N 1.596 124.228 122.820 -0.313 0.000 1.917 33 A HA -0.196 4.127 4.320 0.004 0.000 0.219 33 A C 2.158 179.637 177.584 -0.175 0.000 1.182 33 A CA 1.522 53.373 52.037 -0.309 0.000 0.633 33 A CB -0.794 17.778 19.000 -0.714 0.000 0.819 33 A HN 0.192 nan 8.150 nan 0.000 0.448 34 L N -0.714 120.401 121.223 -0.179 0.000 2.046 34 L HA -0.166 4.176 4.340 0.004 0.000 0.208 34 L C 2.562 179.407 176.870 -0.042 0.000 1.077 34 L CA 1.190 55.974 54.840 -0.093 0.000 0.747 34 L CB -0.695 41.323 42.059 -0.068 0.000 0.896 34 L HN 0.266 nan 8.230 nan 0.000 0.432 35 V N -0.008 119.885 119.914 -0.034 0.000 2.295 35 V HA -0.322 3.800 4.120 0.004 0.000 0.246 35 V C 2.481 178.563 176.094 -0.019 0.000 1.049 35 V CA 2.077 64.380 62.300 0.005 0.000 1.024 35 V CB -0.511 31.309 31.823 -0.005 0.000 0.648 35 V HN 0.498 nan 8.190 nan 0.000 0.447 36 E N 0.097 120.273 120.200 -0.040 0.000 2.033 36 E HA -0.257 4.095 4.350 0.004 0.000 0.199 36 E C 2.171 178.742 176.600 -0.048 0.000 1.011 36 E CA 2.186 58.565 56.400 -0.036 0.000 0.815 36 E CB -0.220 29.461 29.700 -0.031 0.000 0.755 36 E HN 0.604 nan 8.360 nan 0.000 0.451 37 I N 0.408 120.944 120.570 -0.056 0.000 2.226 37 I HA -0.332 3.840 4.170 0.004 0.000 0.245 37 I C 2.631 178.666 176.117 -0.137 0.000 1.100 37 I CA 0.707 61.962 61.300 -0.075 0.000 1.374 37 I CB -0.288 37.677 38.000 -0.059 0.000 1.057 37 I HN 0.365 nan 8.210 nan 0.000 0.413 38 C N 0.669 119.880 119.300 -0.148 0.000 2.446 38 C HA -0.144 4.318 4.460 0.004 0.000 0.277 38 C C 3.183 177.986 174.990 -0.312 0.000 1.275 38 C CA 1.712 60.550 59.018 -0.300 0.000 1.727 38 C CB -1.185 26.389 27.740 -0.277 0.000 2.010 38 C HN 0.622 nan 8.230 nan 0.000 0.486 39 T N -0.359 114.118 114.554 -0.129 0.000 2.746 39 T HA -0.259 4.094 4.350 0.004 0.000 0.267 39 T C 1.606 176.245 174.700 -0.101 0.000 1.039 39 T CA 1.839 63.899 62.100 -0.067 0.000 1.142 39 T CB -0.510 68.350 68.868 -0.013 0.000 0.866 39 T HN 0.719 nan 8.240 nan 0.000 0.444 40 E N 0.878 121.015 120.200 -0.106 0.000 2.058 40 E HA -0.132 4.220 4.350 0.004 0.000 0.194 40 E C 2.304 178.815 176.600 -0.148 0.000 0.997 40 E CA 1.222 57.560 56.400 -0.103 0.000 0.801 40 E CB -0.274 29.374 29.700 -0.086 0.000 0.746 40 E HN 0.544 nan 8.360 nan 0.000 0.450 41 M N 0.332 119.802 119.600 -0.217 0.000 2.213 41 M HA -0.152 4.330 4.480 0.004 0.000 0.263 41 M C 2.315 178.456 176.300 -0.264 0.000 1.062 41 M CA 1.332 56.458 55.300 -0.289 0.000 1.105 41 M CB -0.153 32.210 32.600 -0.395 0.000 1.385 41 M HN 0.180 nan 8.290 nan 0.000 0.417 42 E N 0.963 121.010 120.200 -0.254 0.000 2.031 42 E HA -0.212 4.140 4.350 0.004 0.000 0.193 42 E C 1.815 178.355 176.600 -0.099 0.000 0.994 42 E CA 1.367 57.662 56.400 -0.174 0.000 0.800 42 E CB 0.140 29.780 29.700 -0.099 0.000 0.752 42 E HN 0.421 nan 8.360 nan 0.000 0.447 43 K N 0.451 120.801 120.400 -0.083 0.000 2.032 43 K HA -0.169 4.153 4.320 0.004 0.000 0.209 43 K C 1.880 178.444 176.600 -0.060 0.000 1.048 43 K CA 1.672 57.925 56.287 -0.056 0.000 0.927 43 K CB -0.122 32.349 32.500 -0.048 0.000 0.712 43 K HN 0.217 nan 8.250 nan 0.000 0.441 44 E N -0.059 120.091 120.200 -0.083 0.000 2.533 44 E HA -0.041 4.311 4.350 0.004 0.000 0.201 44 E C 0.693 177.250 176.600 -0.071 0.000 1.097 44 E CA 0.281 56.635 56.400 -0.076 0.000 0.887 44 E CB -0.073 29.567 29.700 -0.100 0.000 0.855 44 E HN 0.525 nan 8.360 nan 0.000 0.540 45 G N 1.942 110.699 108.800 -0.072 0.000 2.203 45 G HA2 -0.338 3.624 3.960 0.004 0.000 0.263 45 G HA3 -0.338 3.624 3.960 0.004 0.000 0.263 45 G C 0.971 175.831 174.900 -0.065 0.000 1.012 45 G CA 0.708 45.776 45.100 -0.053 0.000 0.749 45 G HN 0.182 nan 8.290 nan 0.000 0.512 46 K N -0.415 119.904 120.400 -0.135 0.000 2.076 46 K HA 0.184 4.506 4.320 0.004 0.000 0.204 46 K C 1.580 178.059 176.600 -0.201 0.000 1.051 46 K CA 1.583 57.764 56.287 -0.177 0.000 0.949 46 K CB 0.099 32.380 32.500 -0.365 0.000 0.726 46 K HN 0.865 nan 8.250 nan 0.000 0.443 47 I N -2.373 118.047 120.570 -0.250 0.000 2.865 47 I HA 0.375 4.547 4.170 0.004 0.000 0.302 47 I C -0.945 175.115 176.117 -0.095 0.000 1.140 47 I CA -0.881 60.280 61.300 -0.232 0.000 1.021 47 I CB 2.497 40.249 38.000 -0.414 0.000 1.233 47 I HN -0.304 nan 8.210 nan 0.000 0.427 48 S N 2.626 118.327 115.700 0.001 0.000 2.536 48 S HA 0.478 4.951 4.470 0.004 0.000 0.298 48 S C -0.554 174.108 174.600 0.102 0.000 1.083 48 S CA -0.928 57.306 58.200 0.056 0.000 0.995 48 S CB 1.937 65.143 63.200 0.010 0.000 1.058 48 S HN 0.508 nan 8.310 nan 0.000 0.488 49 K N 1.952 122.386 120.400 0.056 0.000 2.326 49 K HA 0.395 4.717 4.320 0.004 0.000 0.275 49 K C -0.122 176.392 176.600 -0.144 0.000 1.018 49 K CA 0.013 56.206 56.287 -0.156 0.000 0.962 49 K CB 0.258 32.631 32.500 -0.212 0.000 0.953 49 K HN 0.590 nan 8.250 nan 0.000 0.475 50 I N -1.904 118.545 120.570 -0.202 0.000 3.002 50 I HA 0.591 4.763 4.170 0.004 0.000 0.310 50 I C 0.255 176.278 176.117 -0.156 0.000 1.087 50 I CA -1.140 60.071 61.300 -0.148 0.000 1.017 50 I CB 1.956 39.877 38.000 -0.131 0.000 1.226 50 I HN 0.552 nan 8.210 nan 0.000 0.443 51 G N 1.364 110.092 108.800 -0.120 0.000 2.532 51 G HA2 0.523 4.485 3.960 0.004 0.000 0.291 51 G HA3 0.523 4.485 3.960 0.004 0.000 0.291 51 G C -1.832 173.003 174.900 -0.110 0.000 1.349 51 G CA -1.140 43.893 45.100 -0.112 0.000 1.038 51 G HN 0.614 nan 8.290 nan 0.000 0.518 52 P HA -0.003 nan 4.420 nan 0.000 0.241 52 P C 1.210 178.451 177.300 -0.097 0.000 1.191 52 P CA 0.676 63.719 63.100 -0.094 0.000 0.771 52 P CB 0.313 31.964 31.700 -0.081 0.000 0.929 53 E N 0.220 120.364 120.200 -0.093 0.000 2.333 53 E HA -0.143 4.209 4.350 0.004 0.000 0.198 53 E C 0.447 176.972 176.600 -0.126 0.000 1.007 53 E CA 0.645 56.988 56.400 -0.096 0.000 0.845 53 E CB -0.985 28.668 29.700 -0.079 0.000 0.766 53 E HN 0.159 nan 8.360 nan 0.000 0.507 54 N N 2.252 120.874 118.700 -0.130 0.000 2.414 54 N HA 0.091 4.833 4.740 0.004 0.000 0.256 54 N C -1.727 173.662 175.510 -0.201 0.000 1.029 54 N CA -2.191 50.762 53.050 -0.163 0.000 0.948 54 N CB 1.532 39.964 38.487 -0.092 0.000 1.102 54 N HN -0.132 nan 8.380 nan 0.000 0.496 55 P HA 0.037 nan 4.420 nan 0.000 0.245 55 P C -0.310 176.855 177.300 -0.224 0.000 1.203 55 P CA 0.304 63.221 63.100 -0.304 0.000 0.792 55 P CB 0.201 31.682 31.700 -0.366 0.000 0.997 56 Y N 1.065 121.374 120.300 0.016 0.000 2.357 56 Y HA 0.407 4.959 4.550 0.003 0.000 0.340 56 Y C 1.273 177.192 175.900 0.032 0.000 1.260 56 Y CA -0.319 57.807 58.100 0.042 0.000 1.425 56 Y CB 0.135 38.647 38.460 0.087 0.000 1.326 56 Y HN -0.043 nan 8.280 nan 0.000 0.580 57 N N -0.557 118.279 118.700 0.226 0.000 2.710 57 N HA 0.272 5.014 4.740 0.004 0.000 0.257 57 N C -2.009 173.570 175.510 0.114 0.000 1.140 57 N CA -0.331 52.800 53.050 0.136 0.000 0.953 57 N CB 1.913 40.439 38.487 0.065 0.000 1.664 57 N HN 0.648 nan 8.380 nan 0.000 0.497 58 T N 2.383 116.994 114.554 0.095 0.000 2.886 58 T HA 0.518 4.870 4.350 0.004 0.000 0.292 58 T C -2.809 171.825 174.700 -0.110 0.000 1.012 58 T CA -0.934 61.172 62.100 0.011 0.000 0.982 58 T CB 2.238 71.115 68.868 0.016 0.000 1.018 58 T HN 0.298 nan 8.240 nan 0.000 0.451 59 P HA 0.377 nan 4.420 nan 0.000 0.272 59 P C -0.821 176.192 177.300 -0.477 0.000 1.223 59 P CA -0.484 62.244 63.100 -0.621 0.000 0.784 59 P CB 0.588 31.507 31.700 -1.302 0.000 0.923 60 V N -0.173 119.500 119.914 -0.402 0.000 3.130 60 V HA 0.924 5.046 4.120 0.004 0.000 0.310 60 V C -0.973 175.213 176.094 0.154 0.000 1.158 60 V CA -0.896 61.334 62.300 -0.116 0.000 1.029 60 V CB 1.831 33.540 31.823 -0.190 0.000 1.057 60 V HN 0.584 nan 8.190 nan 0.000 0.436 61 F N -0.902 118.961 119.950 -0.145 0.000 2.858 61 F HA 0.986 5.516 4.527 0.004 0.000 0.319 61 F C -0.660 175.131 175.800 -0.016 0.000 1.166 61 F CA -1.126 56.846 58.000 -0.047 0.000 0.899 61 F CB 0.696 39.749 39.000 0.089 0.000 1.332 61 F HN 1.047 nan 8.300 nan 0.000 0.461 62 A N 1.944 124.787 122.820 0.039 0.000 2.365 62 A HA 0.919 5.241 4.320 0.004 0.000 0.318 62 A C -1.011 176.765 177.584 0.321 0.000 1.091 62 A CA -0.631 51.447 52.037 0.068 0.000 0.763 62 A CB 1.298 20.301 19.000 0.004 0.000 1.248 62 A HN 1.376 nan 8.150 nan 0.000 0.442 63 I N -1.672 119.060 120.570 0.271 0.000 2.969 63 I HA 0.690 4.862 4.170 0.004 0.000 0.307 63 I C -1.189 174.914 176.117 -0.024 0.000 1.149 63 I CA -1.137 60.263 61.300 0.167 0.000 1.008 63 I CB 1.826 39.871 38.000 0.074 0.000 1.232 63 I HN 0.623 nan 8.210 nan 0.000 0.435 64 K N 3.338 123.597 120.400 -0.236 0.000 2.483 64 K HA 0.481 4.803 4.320 0.004 0.000 0.256 64 K C -0.710 175.759 176.600 -0.218 0.000 0.961 64 K CA -0.640 55.432 56.287 -0.359 0.000 0.873 64 K CB 2.378 34.488 32.500 -0.649 0.000 1.107 64 K HN 0.471 nan 8.250 nan 0.000 0.432 65 K N 1.627 121.923 120.400 -0.174 0.000 2.219 65 K HA 0.069 4.392 4.320 0.004 0.000 0.258 65 K C 0.170 176.688 176.600 -0.136 0.000 1.008 65 K CA -0.427 55.771 56.287 -0.148 0.000 0.928 65 K CB 0.413 32.830 32.500 -0.139 0.000 0.983 65 K HN 0.210 nan 8.250 nan 0.000 0.484 66 K N 1.597 121.927 120.400 -0.115 0.000 2.414 66 K HA -0.093 4.230 4.320 0.004 0.000 0.272 66 K C -0.756 175.789 176.600 -0.091 0.000 0.993 66 K CA 0.886 57.117 56.287 -0.093 0.000 0.964 66 K CB 0.067 32.521 32.500 -0.077 0.000 0.925 66 K HN 0.681 nan 8.250 nan 0.000 0.487 67 D N 0.079 120.433 120.400 -0.077 0.000 3.079 67 D HA -0.188 4.454 4.640 0.004 0.000 0.214 67 D C -1.182 175.072 176.300 -0.075 0.000 1.145 67 D CA 1.562 55.523 54.000 -0.066 0.000 0.958 67 D CB -0.979 39.786 40.800 -0.059 0.000 1.117 67 D HN 0.350 nan 8.370 nan 0.000 0.416 68 S N -0.714 114.925 115.700 -0.101 0.000 2.647 68 S HA 0.536 5.008 4.470 0.004 0.000 0.300 68 S C 0.369 174.876 174.600 -0.155 0.000 1.129 68 S CA -0.160 57.972 58.200 -0.113 0.000 1.029 68 S CB 1.160 64.289 63.200 -0.118 0.000 1.007 68 S HN 0.177 nan 8.310 nan 0.000 0.484 69 T N 1.277 115.748 114.554 -0.138 0.000 3.269 69 T HA 0.474 4.827 4.350 0.004 0.000 0.269 69 T C -0.180 174.411 174.700 -0.182 0.000 0.993 69 T CA -0.547 61.451 62.100 -0.170 0.000 0.909 69 T CB -0.182 68.622 68.868 -0.107 0.000 1.115 69 T HN 0.326 nan 8.240 nan 0.000 0.543 70 K N 0.650 120.933 120.400 -0.195 0.000 2.468 70 K HA 0.540 4.862 4.320 0.004 0.000 0.252 70 K C -1.535 174.978 176.600 -0.145 0.000 0.932 70 K CA -0.806 55.409 56.287 -0.120 0.000 0.794 70 K CB 1.318 33.801 32.500 -0.028 0.000 1.241 70 K HN 0.290 nan 8.250 nan 0.000 0.428 71 W N 2.859 124.139 121.300 -0.032 0.000 2.158 71 W HA 0.300 4.961 4.660 0.003 0.000 0.339 71 W C 0.655 177.145 176.519 -0.049 0.000 1.294 71 W CA 0.057 57.376 57.345 -0.043 0.000 1.231 71 W CB 0.508 29.943 29.460 -0.040 0.000 1.143 71 W HN 0.392 nan 8.180 nan 0.000 0.571 72 R N 2.686 123.305 120.500 0.199 0.000 2.686 72 R HA 0.362 4.704 4.340 0.004 0.000 0.286 72 R C -0.990 175.334 176.300 0.040 0.000 0.969 72 R CA -0.961 55.188 56.100 0.082 0.000 0.898 72 R CB 1.296 31.604 30.300 0.013 0.000 1.183 72 R HN 0.453 nan 8.270 nan 0.000 0.456 73 K N 4.183 124.581 120.400 -0.003 0.000 2.258 73 K HA 0.262 4.584 4.320 0.004 0.000 0.284 73 K C -1.350 175.151 176.600 -0.165 0.000 1.051 73 K CA -0.601 55.630 56.287 -0.094 0.000 0.923 73 K CB 0.844 33.295 32.500 -0.081 0.000 1.046 73 K HN 0.401 nan 8.250 nan 0.000 0.474 74 L N 5.027 126.014 121.223 -0.392 0.000 2.362 74 L HA 0.492 4.834 4.340 0.004 0.000 0.271 74 L C -1.376 175.200 176.870 -0.489 0.000 1.002 74 L CA -0.663 53.887 54.840 -0.483 0.000 0.818 74 L CB 2.015 43.608 42.059 -0.776 0.000 1.298 74 L HN 0.393 nan 8.230 nan 0.000 0.420 75 V N 2.798 122.581 119.914 -0.219 0.000 2.864 75 V HA 0.413 4.536 4.120 0.004 0.000 0.314 75 V C -0.604 175.483 176.094 -0.012 0.000 1.073 75 V CA -0.778 61.368 62.300 -0.257 0.000 0.956 75 V CB 1.905 33.277 31.823 -0.752 0.000 1.023 75 V HN 0.735 nan 8.190 nan 0.000 0.435 76 D N 1.962 122.385 120.400 0.038 0.000 2.639 76 D HA 0.218 4.860 4.640 0.004 0.000 0.233 76 D C 0.343 176.686 176.300 0.071 0.000 1.161 76 D CA -0.217 53.915 54.000 0.220 0.000 1.003 76 D CB 0.259 41.296 40.800 0.396 0.000 1.034 76 D HN 0.417 nan 8.370 nan 0.000 0.514 77 F N 1.262 121.333 119.950 0.200 0.000 2.771 77 F HA 0.096 4.625 4.527 0.004 0.000 0.299 77 F C 2.220 178.117 175.800 0.161 0.000 1.177 77 F CA 0.124 58.230 58.000 0.177 0.000 1.450 77 F CB -0.103 39.024 39.000 0.210 0.000 1.114 77 F HN 0.180 nan 8.300 nan 0.000 0.587 78 R N 0.150 120.815 120.500 0.274 0.000 2.133 78 R HA -0.281 4.061 4.340 0.004 0.000 0.245 78 R C 2.076 178.459 176.300 0.137 0.000 1.137 78 R CA 2.080 58.275 56.100 0.158 0.000 0.947 78 R CB -0.542 29.781 30.300 0.038 0.000 0.865 78 R HN 0.176 nan 8.270 nan 0.000 0.437 79 E N 0.812 121.094 120.200 0.137 0.000 2.058 79 E HA -0.184 4.168 4.350 0.004 0.000 0.194 79 E C 1.786 178.463 176.600 0.128 0.000 0.997 79 E CA 1.039 57.504 56.400 0.107 0.000 0.801 79 E CB -0.260 29.501 29.700 0.102 0.000 0.746 79 E HN 0.137 nan 8.360 nan 0.000 0.450 80 L N 0.944 122.296 121.223 0.215 0.000 2.017 80 L HA -0.161 4.181 4.340 0.004 0.000 0.208 80 L C 1.678 178.702 176.870 0.256 0.000 1.073 80 L CA 1.855 56.835 54.840 0.234 0.000 0.745 80 L CB -0.913 41.366 42.059 0.368 0.000 0.894 80 L HN 0.133 nan 8.230 nan 0.000 0.432 81 N N 0.258 119.125 118.700 0.279 0.000 2.061 81 N HA -0.225 4.518 4.740 0.004 0.000 0.193 81 N C 1.754 177.316 175.510 0.086 0.000 1.030 81 N CA 1.662 54.817 53.050 0.175 0.000 0.856 81 N CB -0.306 38.260 38.487 0.131 0.000 1.023 81 N HN 0.439 nan 8.380 nan 0.000 0.424 82 K N 0.569 121.012 120.400 0.071 0.000 2.281 82 K HA -0.037 4.285 4.320 0.004 0.000 0.203 82 K C 1.632 178.240 176.600 0.013 0.000 1.046 82 K CA 0.881 57.184 56.287 0.027 0.000 0.938 82 K CB 0.003 32.514 32.500 0.017 0.000 0.737 82 K HN 0.253 nan 8.250 nan 0.000 0.458 83 R N 0.064 120.583 120.500 0.031 0.000 2.312 83 R HA 0.078 4.420 4.340 0.004 0.000 0.205 83 R C 0.284 176.596 176.300 0.020 0.000 0.904 83 R CA 0.172 56.271 56.100 -0.002 0.000 1.052 83 R CB 0.429 30.704 30.300 -0.043 0.000 1.014 83 R HN -0.029 nan 8.270 nan 0.000 0.503 84 T N 2.520 117.119 114.554 0.075 0.000 2.910 84 T HA 0.052 4.404 4.350 0.004 0.000 0.293 84 T C 0.121 174.757 174.700 -0.108 0.000 1.015 84 T CA -0.484 61.671 62.100 0.091 0.000 1.094 84 T CB 1.276 70.254 68.868 0.183 0.000 0.968 84 T HN 0.227 nan 8.240 nan 0.000 0.521 85 Q N 1.904 121.576 119.800 -0.213 0.000 2.395 85 Q HA 0.179 4.522 4.340 0.004 0.000 0.271 85 Q C -0.985 174.534 176.000 -0.801 0.000 1.026 85 Q CA -0.260 55.292 55.803 -0.420 0.000 0.900 85 Q CB 0.238 28.722 28.738 -0.422 0.000 1.266 85 Q HN 0.451 nan 8.270 nan 0.000 0.430 86 D N 1.256 121.307 120.400 -0.581 0.000 2.312 86 D HA 0.431 5.073 4.640 0.004 0.000 0.248 86 D C -0.946 174.946 176.300 -0.679 0.000 1.086 86 D CA -0.017 53.676 54.000 -0.511 0.000 0.948 86 D CB 0.576 41.262 40.800 -0.191 0.000 1.162 86 D HN 0.399 nan 8.370 nan 0.000 0.446 96 H N 0.942 120.052 119.070 0.066 0.000 2.505 96 H HA 0.615 5.174 4.556 0.004 0.000 0.338 96 H C -1.875 173.346 175.328 -0.177 0.000 1.057 96 H CA -0.753 55.183 56.048 -0.187 0.000 1.202 96 H CB 1.475 31.133 29.762 -0.174 0.000 1.466 96 H HN 0.304 nan 8.280 nan 0.000 0.499 97 P HA 0.381 nan 4.420 nan 0.000 0.338 97 P C -0.395 176.675 177.300 -0.384 0.000 1.308 97 P CA -0.075 62.804 63.100 -0.370 0.000 0.753 97 P CB 1.199 32.704 31.700 -0.324 0.000 1.579 98 A N -1.638 121.037 122.820 -0.242 0.000 1.878 98 A HA 0.351 4.673 4.320 0.004 0.000 0.201 98 A C 2.017 179.496 177.584 -0.175 0.000 1.684 98 A CA 1.020 52.956 52.037 -0.170 0.000 1.113 98 A CB -1.001 17.948 19.000 -0.084 0.000 1.131 98 A HN 0.529 nan 8.150 nan 0.000 0.472 99 G N 1.887 110.600 108.800 -0.145 0.000 2.679 99 G HA2 -0.411 3.552 3.960 0.004 0.000 0.222 99 G HA3 -0.411 3.552 3.960 0.004 0.000 0.222 99 G C 1.573 176.396 174.900 -0.128 0.000 1.164 99 G CA 1.838 46.868 45.100 -0.117 0.000 0.769 99 G HN 1.174 nan 8.290 nan 0.000 0.610 100 L N -1.308 119.824 121.223 -0.152 0.000 2.261 100 L HA 0.052 4.394 4.340 0.004 0.000 0.216 100 L C 2.458 179.232 176.870 -0.159 0.000 1.114 100 L CA 2.179 56.942 54.840 -0.129 0.000 0.777 100 L CB -0.432 41.563 42.059 -0.106 0.000 0.910 100 L HN 0.176 nan 8.230 nan 0.000 0.440 101 K N 1.067 121.360 120.400 -0.178 0.000 2.155 101 K HA -0.051 4.271 4.320 0.004 0.000 0.203 101 K C 1.853 178.333 176.600 -0.199 0.000 1.052 101 K CA 1.571 57.743 56.287 -0.190 0.000 0.948 101 K CB -0.024 32.365 32.500 -0.185 0.000 0.728 101 K HN 0.445 nan 8.250 nan 0.000 0.448 102 K N 0.518 120.823 120.400 -0.158 0.000 2.379 102 K HA 0.066 4.388 4.320 0.004 0.000 0.194 102 K C 0.301 176.818 176.600 -0.138 0.000 1.031 102 K CA -0.005 56.200 56.287 -0.137 0.000 1.037 102 K CB 0.281 32.721 32.500 -0.099 0.000 0.824 102 K HN -0.148 nan 8.250 nan 0.000 0.516 103 K N 1.863 122.177 120.400 -0.143 0.000 2.397 103 K HA -0.027 4.295 4.320 0.004 0.000 0.265 103 K C 0.936 177.450 176.600 -0.143 0.000 0.982 103 K CA 0.506 56.717 56.287 -0.126 0.000 0.931 103 K CB 0.431 32.866 32.500 -0.109 0.000 0.943 103 K HN -0.126 nan 8.250 nan 0.000 0.501 104 K N -0.163 120.168 120.400 -0.116 0.000 2.137 104 K HA 0.079 4.401 4.320 0.004 0.000 0.202 104 K C -0.368 176.217 176.600 -0.025 0.000 1.052 104 K CA 0.768 57.000 56.287 -0.091 0.000 0.961 104 K CB 0.342 32.794 32.500 -0.079 0.000 0.741 104 K HN 0.479 nan 8.250 nan 0.000 0.452 105 S N -0.307 115.324 115.700 -0.115 0.000 2.536 105 S HA 0.417 4.889 4.470 0.004 0.000 0.271 105 S C -1.396 173.068 174.600 -0.228 0.000 1.134 105 S CA -0.890 57.231 58.200 -0.132 0.000 0.897 105 S CB 2.613 65.713 63.200 -0.167 0.000 1.094 105 S HN -0.108 nan 8.310 nan 0.000 0.473 106 V N 2.056 121.920 119.914 -0.084 0.000 2.789 106 V HA 0.686 4.808 4.120 0.004 0.000 0.311 106 V C -0.557 175.648 176.094 0.186 0.000 1.073 106 V CA -0.562 61.784 62.300 0.077 0.000 0.921 106 V CB 2.395 34.275 31.823 0.094 0.000 1.009 106 V HN 0.939 nan 8.190 nan 0.000 0.426 107 T N 3.154 117.866 114.554 0.263 0.000 2.812 107 T HA 0.551 4.903 4.350 0.004 0.000 0.282 107 T C -0.464 174.302 174.700 0.111 0.000 0.990 107 T CA -0.436 61.778 62.100 0.191 0.000 0.960 107 T CB 1.619 70.596 68.868 0.182 0.000 0.948 107 T HN 0.363 nan 8.240 nan 0.000 0.438 108 V N 4.506 124.448 119.914 0.047 0.000 2.465 108 V HA 0.455 4.577 4.120 0.004 0.000 0.279 108 V C -0.409 175.601 176.094 -0.141 0.000 1.045 108 V CA -0.745 61.485 62.300 -0.117 0.000 0.938 108 V CB 0.905 32.690 31.823 -0.064 0.000 0.986 108 V HN 0.616 nan 8.190 nan 0.000 0.467 109 L N 3.576 124.676 121.223 -0.204 0.000 2.346 109 L HA 0.503 4.845 4.340 0.004 0.000 0.276 109 L C -0.003 176.757 176.870 -0.183 0.000 1.006 109 L CA -0.146 54.599 54.840 -0.159 0.000 0.817 109 L CB 1.687 43.663 42.059 -0.137 0.000 1.272 109 L HN 0.564 nan 8.230 nan 0.000 0.421 110 D N 1.788 122.095 120.400 -0.155 0.000 2.483 110 D HA 0.127 4.769 4.640 0.004 0.000 0.220 110 D C 0.701 176.884 176.300 -0.195 0.000 1.173 110 D CA -0.067 53.837 54.000 -0.160 0.000 0.964 110 D CB 0.750 41.469 40.800 -0.135 0.000 1.046 110 D HN 0.293 nan 8.370 nan 0.000 0.517 111 V N 1.800 121.571 119.914 -0.239 0.000 3.563 111 V HA 0.333 4.456 4.120 0.004 0.000 0.299 111 V C 1.800 177.554 176.094 -0.566 0.000 1.290 111 V CA 0.388 62.482 62.300 -0.344 0.000 1.201 111 V CB 0.022 31.653 31.823 -0.320 0.000 1.045 111 V HN 0.345 nan 8.190 nan 0.000 0.425 112 G N 0.677 109.221 108.800 -0.426 0.000 2.446 112 G HA2 -0.249 3.713 3.960 0.004 0.000 0.217 112 G HA3 -0.249 3.713 3.960 0.004 0.000 0.217 112 G C 1.185 175.653 174.900 -0.720 0.000 1.168 112 G CA 1.136 45.949 45.100 -0.478 0.000 0.771 112 G HN 0.524 nan 8.290 nan 0.000 0.551 113 D N 1.038 121.112 120.400 -0.542 0.000 2.158 113 D HA -0.167 4.475 4.640 0.004 0.000 0.197 113 D C 2.813 178.802 176.300 -0.518 0.000 0.995 113 D CA 1.199 54.902 54.000 -0.494 0.000 0.846 113 D CB -0.182 40.521 40.800 -0.162 0.000 0.941 113 D HN 0.323 nan 8.370 nan 0.000 0.456 114 A N 0.614 123.030 122.820 -0.673 0.000 1.997 114 A HA -0.239 4.083 4.320 0.004 0.000 0.221 114 A C 1.794 178.955 177.584 -0.704 0.000 1.172 114 A CA 1.291 52.899 52.037 -0.716 0.000 0.645 114 A CB -0.959 17.363 19.000 -1.130 0.000 0.813 114 A HN 0.266 nan 8.150 nan 0.000 0.454 115 Y N -1.391 118.536 120.300 -0.622 0.000 2.293 115 Y HA -0.110 4.443 4.550 0.003 0.000 0.291 115 Y C 1.954 177.831 175.900 -0.039 0.000 1.137 115 Y CA 0.480 58.356 58.100 -0.372 0.000 1.202 115 Y CB -0.987 37.245 38.460 -0.379 0.000 0.990 115 Y HN 0.334 nan 8.280 nan 0.000 0.537 116 F N -0.321 119.693 119.950 0.107 0.000 2.373 116 F HA -0.176 4.353 4.527 0.003 0.000 0.300 116 F C 2.310 178.177 175.800 0.110 0.000 1.080 116 F CA 0.813 58.888 58.000 0.124 0.000 1.417 116 F CB -1.153 37.897 39.000 0.084 0.000 1.070 116 F HN -0.050 nan 8.300 nan 0.000 0.546 117 S N -0.803 115.058 115.700 0.269 0.000 2.395 117 S HA 0.003 4.476 4.470 0.004 0.000 0.225 117 S C 0.926 175.661 174.600 0.225 0.000 1.027 117 S CA 0.261 58.594 58.200 0.222 0.000 0.965 117 S CB -0.139 63.189 63.200 0.213 0.000 0.812 117 S HN -0.044 nan 8.310 nan 0.000 0.482 118 V N 5.179 125.252 119.914 0.265 0.000 2.530 118 V HA 0.252 4.374 4.120 0.004 0.000 0.282 118 V C -2.055 174.164 176.094 0.209 0.000 1.048 118 V CA -1.934 60.510 62.300 0.240 0.000 0.997 118 V CB 0.826 32.828 31.823 0.298 0.000 0.987 118 V HN 0.221 nan 8.190 nan 0.000 0.477 119 P HA 0.352 nan 4.420 nan 0.000 0.279 119 P C -0.866 176.512 177.300 0.130 0.000 1.252 119 P CA -0.492 62.692 63.100 0.140 0.000 0.811 119 P CB 1.725 33.489 31.700 0.108 0.000 1.035 120 L N 1.207 122.500 121.223 0.117 0.000 2.334 120 L HA 0.400 4.742 4.340 0.004 0.000 0.273 120 L C 0.087 177.009 176.870 0.087 0.000 1.013 120 L CA -0.903 53.990 54.840 0.089 0.000 0.816 120 L CB 1.430 43.514 42.059 0.042 0.000 1.278 120 L HN 0.247 nan 8.230 nan 0.000 0.431 121 D N 2.702 123.154 120.400 0.085 0.000 2.570 121 D HA -0.111 4.532 4.640 0.004 0.000 0.243 121 D C 1.050 177.420 176.300 0.116 0.000 1.171 121 D CA 0.628 54.689 54.000 0.101 0.000 0.879 121 D CB 0.977 41.844 40.800 0.112 0.000 1.143 121 D HN 0.596 nan 8.370 nan 0.000 0.511 122 E N 2.642 122.891 120.200 0.083 0.000 2.119 122 E HA -0.319 4.033 4.350 0.004 0.000 0.221 122 E C 1.348 177.975 176.600 0.044 0.000 1.062 122 E CA 2.643 59.078 56.400 0.059 0.000 0.894 122 E CB -0.109 29.617 29.700 0.043 0.000 0.785 122 E HN 0.827 nan 8.360 nan 0.000 0.472 123 D N -1.025 119.407 120.400 0.053 0.000 2.221 123 D HA -0.197 4.446 4.640 0.004 0.000 0.204 123 D C 1.753 178.025 176.300 -0.048 0.000 0.982 123 D CA 0.859 54.865 54.000 0.011 0.000 0.857 123 D CB -0.456 40.374 40.800 0.050 0.000 0.934 123 D HN 0.298 nan 8.370 nan 0.000 0.475 124 F N 1.031 120.932 119.950 -0.081 0.000 2.367 124 F HA 0.193 4.722 4.527 0.004 0.000 0.298 124 F C 2.142 177.828 175.800 -0.191 0.000 1.094 124 F CA 0.330 58.284 58.000 -0.076 0.000 1.409 124 F CB 0.068 39.113 39.000 0.075 0.000 1.064 124 F HN -0.263 nan 8.300 nan 0.000 0.528 125 R N 1.039 121.545 120.500 0.011 0.000 2.133 125 R HA -0.265 4.077 4.340 0.004 0.000 0.247 125 R C 2.238 178.457 176.300 -0.134 0.000 1.151 125 R CA 2.138 58.226 56.100 -0.020 0.000 0.971 125 R CB -0.606 29.711 30.300 0.029 0.000 0.866 125 R HN 0.429 nan 8.270 nan 0.000 0.447 126 K N -0.194 120.034 120.400 -0.288 0.000 2.113 126 K HA -0.208 4.114 4.320 0.004 0.000 0.208 126 K C 1.289 177.792 176.600 -0.163 0.000 1.047 126 K CA 1.831 57.977 56.287 -0.235 0.000 0.928 126 K CB -0.491 31.832 32.500 -0.296 0.000 0.716 126 K HN 0.200 nan 8.250 nan 0.000 0.446 127 Y N 2.447 122.567 120.300 -0.300 0.000 2.574 127 Y HA -0.049 4.503 4.550 0.004 0.000 0.294 127 Y C 2.079 177.866 175.900 -0.188 0.000 1.142 127 Y CA 1.092 58.911 58.100 -0.469 0.000 1.314 127 Y CB -0.739 37.149 38.460 -0.954 0.000 0.991 127 Y HN 0.353 nan 8.280 nan 0.000 0.555 128 T N -2.643 111.950 114.554 0.065 0.000 3.163 128 T HA 0.516 4.868 4.350 0.004 0.000 0.252 128 T C 0.870 175.826 174.700 0.427 0.000 1.056 128 T CA 0.013 62.285 62.100 0.287 0.000 0.947 128 T CB -0.555 68.462 68.868 0.248 0.000 1.016 128 T HN 0.208 nan 8.240 nan 0.000 0.554 129 A N 1.927 124.903 122.820 0.259 0.000 2.540 129 A HA 0.517 4.839 4.320 0.004 0.000 0.239 129 A C -0.043 177.697 177.584 0.259 0.000 1.061 129 A CA -0.311 51.828 52.037 0.170 0.000 0.758 129 A CB -0.599 18.464 19.000 0.105 0.000 0.991 129 A HN 0.796 nan 8.150 nan 0.000 0.502 130 F N -0.678 119.332 119.950 0.100 0.000 2.645 130 F HA 0.806 5.335 4.527 0.003 0.000 0.310 130 F C -0.417 175.396 175.800 0.022 0.000 1.102 130 F CA -0.795 57.230 58.000 0.040 0.000 0.952 130 F CB 1.378 40.402 39.000 0.040 0.000 1.326 130 F HN 0.354 nan 8.300 nan 0.000 0.456 131 T N 2.739 117.406 114.554 0.189 0.000 2.861 131 T HA 0.625 4.977 4.350 0.004 0.000 0.287 131 T C -0.968 173.796 174.700 0.107 0.000 1.003 131 T CA -0.367 61.770 62.100 0.062 0.000 0.977 131 T CB 1.743 70.597 68.868 -0.023 0.000 0.996 131 T HN 0.500 nan 8.240 nan 0.000 0.448 132 I N 5.745 126.366 120.570 0.084 0.000 2.304 132 I HA 0.308 4.480 4.170 0.004 0.000 0.291 132 I C -1.846 174.272 176.117 0.001 0.000 1.018 132 I CA -2.262 59.078 61.300 0.068 0.000 1.260 132 I CB 0.867 38.929 38.000 0.104 0.000 1.390 132 I HN 0.353 nan 8.210 nan 0.000 0.475 133 P HA 0.172 nan 4.420 nan 0.000 0.272 133 P C -0.773 176.509 177.300 -0.029 0.000 1.230 133 P CA -0.370 62.714 63.100 -0.026 0.000 0.788 133 P CB 0.891 32.576 31.700 -0.025 0.000 0.949 134 S N 0.885 116.566 115.700 -0.031 0.000 2.482 134 S HA 0.440 4.912 4.470 0.004 0.000 0.303 134 S C 0.409 174.991 174.600 -0.029 0.000 1.091 134 S CA -0.737 57.444 58.200 -0.032 0.000 1.057 134 S CB 0.556 63.735 63.200 -0.035 0.000 1.031 134 S HN 0.287 nan 8.310 nan 0.000 0.485 135 I N 3.092 123.645 120.570 -0.029 0.000 2.683 135 I HA 0.005 4.177 4.170 0.004 0.000 0.286 135 I C 1.102 177.206 176.117 -0.022 0.000 1.175 135 I CA 0.196 61.480 61.300 -0.026 0.000 1.429 135 I CB -0.167 37.817 38.000 -0.026 0.000 1.371 135 I HN 0.771 nan 8.210 nan 0.000 0.569 136 N N 5.465 124.154 118.700 -0.019 0.000 2.693 136 N HA -0.298 4.445 4.740 0.004 0.000 0.249 136 N C 0.190 175.689 175.510 -0.018 0.000 1.119 136 N CA 1.164 54.204 53.050 -0.017 0.000 0.717 136 N CB -1.091 37.388 38.487 -0.014 0.000 1.071 136 N HN 0.869 nan 8.380 nan 0.000 0.555 137 N N -1.289 117.399 118.700 -0.020 0.000 2.678 137 N HA -0.292 4.451 4.740 0.004 0.000 0.249 137 N C 0.898 176.394 175.510 -0.023 0.000 1.119 137 N CA 1.231 54.268 53.050 -0.022 0.000 0.718 137 N CB -0.798 37.678 38.487 -0.019 0.000 1.060 137 N HN 0.891 nan 8.380 nan 0.000 0.552 138 E N -0.171 120.015 120.200 -0.023 0.000 2.110 138 E HA -0.140 4.212 4.350 0.004 0.000 0.193 138 E C 0.771 177.354 176.600 -0.027 0.000 0.988 138 E CA 1.498 57.884 56.400 -0.023 0.000 0.804 138 E CB 0.001 29.688 29.700 -0.022 0.000 0.745 138 E HN 0.470 nan 8.360 nan 0.000 0.458 139 T N -1.939 112.596 114.554 -0.032 0.000 2.896 139 T HA 0.508 4.861 4.350 0.004 0.000 0.297 139 T C -2.919 171.754 174.700 -0.044 0.000 1.108 139 T CA -2.362 59.716 62.100 -0.038 0.000 1.004 139 T CB 1.711 70.556 68.868 -0.039 0.000 1.159 139 T HN -0.217 nan 8.240 nan 0.000 0.499 140 P HA 0.346 nan 4.420 nan 0.000 0.268 140 P C 0.519 177.776 177.300 -0.073 0.000 1.205 140 P CA 0.044 63.107 63.100 -0.062 0.000 0.771 140 P CB 0.168 31.826 31.700 -0.069 0.000 0.858 141 G N 3.257 112.013 108.800 -0.073 0.000 2.491 141 G HA2 0.237 4.199 3.960 0.004 0.000 0.242 141 G HA3 0.237 4.199 3.960 0.004 0.000 0.242 141 G C -0.120 174.704 174.900 -0.125 0.000 1.266 141 G CA -0.467 44.586 45.100 -0.079 0.000 0.844 141 G HN 0.403 nan 8.290 nan 0.000 0.571 142 I N 1.959 122.444 120.570 -0.142 0.000 2.452 142 I HA 0.182 4.354 4.170 0.004 0.000 0.287 142 I C 0.481 176.378 176.117 -0.366 0.000 1.079 142 I CA -0.113 61.021 61.300 -0.277 0.000 1.387 142 I CB 0.573 38.413 38.000 -0.267 0.000 1.404 142 I HN 0.275 nan 8.210 nan 0.000 0.522 143 R N 6.549 126.773 120.500 -0.460 0.000 2.229 143 R HA 0.459 4.801 4.340 0.004 0.000 0.332 143 R C -0.993 174.917 176.300 -0.650 0.000 0.989 143 R CA -0.541 55.294 56.100 -0.442 0.000 0.842 143 R CB 1.201 31.328 30.300 -0.287 0.000 1.119 143 R HN 0.405 nan 8.270 nan 0.000 0.456 144 Y N 0.529 120.439 120.300 -0.649 0.000 2.675 144 Y HA 0.420 4.972 4.550 0.003 0.000 0.328 144 Y C 0.362 175.837 175.900 -0.708 0.000 1.092 144 Y CA -0.706 56.951 58.100 -0.738 0.000 1.190 144 Y CB 1.607 39.496 38.460 -0.951 0.000 1.350 144 Y HN 0.380 nan 8.280 nan 0.000 0.525 145 Q N 0.066 119.752 119.800 -0.191 0.000 2.438 145 Q HA 0.307 4.649 4.340 0.004 0.000 0.272 145 Q C -2.122 173.949 176.000 0.118 0.000 0.994 145 Q CA -0.675 55.134 55.803 0.011 0.000 0.887 145 Q CB 1.582 30.320 28.738 -0.001 0.000 1.432 145 Q HN 0.694 nan 8.270 nan 0.000 0.392 146 Y N 1.992 122.405 120.300 0.189 0.000 2.326 146 Y HA 0.161 4.713 4.550 0.003 0.000 0.333 146 Y C 0.792 176.740 175.900 0.081 0.000 1.240 146 Y CA 1.039 59.236 58.100 0.162 0.000 1.365 146 Y CB 1.030 39.599 38.460 0.182 0.000 1.289 146 Y HN 0.756 nan 8.280 nan 0.000 0.548 147 N N -0.431 118.396 118.700 0.211 0.000 2.474 147 N HA 0.107 4.849 4.740 0.004 0.000 0.224 147 N C -0.710 174.905 175.510 0.176 0.000 1.092 147 N CA 0.108 53.240 53.050 0.138 0.000 0.844 147 N CB 0.682 39.209 38.487 0.067 0.000 1.381 147 N HN 0.337 nan 8.380 nan 0.000 0.458 148 V N -0.537 119.530 119.914 0.256 0.000 3.211 148 V HA 0.475 4.598 4.120 0.004 0.000 0.319 148 V C 0.321 176.623 176.094 0.347 0.000 1.096 148 V CA -1.269 61.204 62.300 0.290 0.000 1.029 148 V CB 0.861 32.877 31.823 0.321 0.000 1.137 148 V HN -0.020 nan 8.190 nan 0.000 0.453 149 L N 2.014 123.414 121.223 0.294 0.000 2.525 149 L HA 0.284 4.626 4.340 0.004 0.000 0.278 149 L C -2.208 174.760 176.870 0.162 0.000 1.218 149 L CA -0.934 54.019 54.840 0.188 0.000 0.878 149 L CB 0.314 42.487 42.059 0.190 0.000 1.127 149 L HN 0.540 nan 8.230 nan 0.000 0.492 150 P HA 0.223 nan 4.420 nan 0.000 0.288 150 P C -1.169 176.050 177.300 -0.134 0.000 1.267 150 P CA -0.739 62.072 63.100 -0.482 0.000 0.815 150 P CB 0.848 31.950 31.700 -0.996 0.000 0.989 151 Q N 0.811 120.639 119.800 0.047 0.000 2.373 151 Q HA 0.377 4.719 4.340 0.004 0.000 0.255 151 Q C 1.198 177.321 176.000 0.205 0.000 0.980 151 Q CA 0.672 56.524 55.803 0.081 0.000 0.882 151 Q CB 0.205 28.994 28.738 0.086 0.000 1.249 151 Q HN 0.860 nan 8.270 nan 0.000 0.438 152 G N 1.386 110.279 108.800 0.156 0.000 2.234 152 G HA2 -0.274 3.689 3.960 0.004 0.000 0.260 152 G HA3 -0.274 3.689 3.960 0.004 0.000 0.260 152 G C -0.465 174.581 174.900 0.244 0.000 0.987 152 G CA 0.124 45.386 45.100 0.269 0.000 0.625 152 G HN 0.666 nan 8.290 nan 0.000 0.532 153 W N 2.778 123.953 121.300 -0.208 0.000 2.218 153 W HA 0.570 5.232 4.660 0.003 0.000 0.326 153 W C 1.635 177.982 176.519 -0.287 0.000 1.276 153 W CA -0.350 56.754 57.345 -0.402 0.000 1.210 153 W CB 0.841 29.887 29.460 -0.690 0.000 1.143 153 W HN 0.241 nan 8.180 nan 0.000 0.563 154 K N 2.928 122.930 120.400 -0.664 0.000 2.116 154 K HA 0.013 4.335 4.320 0.004 0.000 0.203 154 K C 1.771 177.818 176.600 -0.922 0.000 1.052 154 K CA 1.512 57.427 56.287 -0.621 0.000 0.952 154 K CB -0.710 31.572 32.500 -0.363 0.000 0.729 154 K HN 0.615 nan 8.250 nan 0.000 0.446 155 G N 0.930 108.653 108.800 -1.795 0.000 2.448 155 G HA2 -0.226 3.736 3.960 0.004 0.000 0.219 155 G HA3 -0.226 3.736 3.960 0.004 0.000 0.219 155 G C 1.312 175.461 174.900 -1.253 0.000 1.127 155 G CA 0.831 44.867 45.100 -1.773 0.000 0.766 155 G HN 0.367 nan 8.290 nan 0.000 0.552 156 S N 1.928 117.046 115.700 -0.969 0.000 2.365 156 S HA -0.119 4.353 4.470 0.004 0.000 0.221 156 S C 0.170 174.405 174.600 -0.607 0.000 1.037 156 S CA 1.740 59.604 58.200 -0.561 0.000 1.060 156 S CB -1.129 61.638 63.200 -0.722 0.000 0.974 156 S HN 0.318 nan 8.310 nan 0.000 0.427 157 P HA 0.049 nan 4.420 nan 0.000 0.218 157 P C 1.202 178.358 177.300 -0.241 0.000 1.149 157 P CA 1.298 64.246 63.100 -0.252 0.000 0.817 157 P CB -0.126 31.443 31.700 -0.218 0.000 0.785 158 A N -1.479 121.052 122.820 -0.481 0.000 2.172 158 A HA -0.096 4.226 4.320 0.004 0.000 0.216 158 A C 1.966 179.197 177.584 -0.588 0.000 1.154 158 A CA 1.201 52.842 52.037 -0.660 0.000 0.701 158 A CB -1.256 16.970 19.000 -1.290 0.000 0.789 158 A HN 0.185 nan 8.150 nan 0.000 0.465 159 I N -3.598 116.744 120.570 -0.380 0.000 3.300 159 I HA 0.096 4.268 4.170 0.004 0.000 0.279 159 I C 1.823 177.916 176.117 -0.040 0.000 1.172 159 I CA 0.299 61.478 61.300 -0.201 0.000 1.431 159 I CB -0.032 37.902 38.000 -0.109 0.000 1.240 159 I HN 0.291 nan 8.210 nan 0.000 0.453 160 F N 2.039 121.936 119.950 -0.087 0.000 2.699 160 F HA -0.093 4.437 4.527 0.004 0.000 0.298 160 F C 2.470 178.245 175.800 -0.042 0.000 1.154 160 F CA 0.942 58.948 58.000 0.011 0.000 1.457 160 F CB -0.173 38.959 39.000 0.220 0.000 1.106 160 F HN 0.038 nan 8.300 nan 0.000 0.585 161 Q N 0.252 120.028 119.800 -0.039 0.000 2.082 161 Q HA -0.253 4.089 4.340 0.004 0.000 0.211 161 Q C 2.402 178.290 176.000 -0.187 0.000 1.002 161 Q CA 2.344 58.091 55.803 -0.092 0.000 0.868 161 Q CB -0.778 27.898 28.738 -0.104 0.000 0.931 161 Q HN 0.419 nan 8.270 nan 0.000 0.414 162 S N 0.644 116.215 115.700 -0.215 0.000 2.365 162 S HA -0.167 4.305 4.470 0.004 0.000 0.221 162 S C 2.154 176.554 174.600 -0.334 0.000 1.037 162 S CA 1.701 59.768 58.200 -0.222 0.000 1.060 162 S CB -0.482 62.609 63.200 -0.181 0.000 0.974 162 S HN 0.362 nan 8.310 nan 0.000 0.427 163 S N 1.383 116.758 115.700 -0.543 0.000 2.370 163 S HA -0.126 4.346 4.470 0.004 0.000 0.226 163 S C 1.899 176.086 174.600 -0.688 0.000 1.033 163 S CA 1.564 59.336 58.200 -0.712 0.000 1.011 163 S CB -0.431 62.109 63.200 -1.100 0.000 0.852 163 S HN 0.324 nan 8.310 nan 0.000 0.457 164 M N 2.506 121.710 119.600 -0.661 0.000 2.080 164 M HA -0.130 4.352 4.480 0.004 0.000 0.260 164 M C 2.305 178.485 176.300 -0.199 0.000 1.068 164 M CA 2.180 57.321 55.300 -0.266 0.000 1.109 164 M CB -1.521 31.086 32.600 0.012 0.000 1.342 164 M HN 0.512 nan 8.290 nan 0.000 0.405 165 T N -1.671 112.781 114.554 -0.170 0.000 2.652 165 T HA -0.198 4.154 4.350 0.004 0.000 0.267 165 T C 1.864 176.490 174.700 -0.123 0.000 1.039 165 T CA 1.766 63.804 62.100 -0.104 0.000 1.153 165 T CB -0.639 68.183 68.868 -0.077 0.000 0.863 165 T HN 0.458 nan 8.240 nan 0.000 0.428 166 K N 1.097 121.383 120.400 -0.190 0.000 1.991 166 K HA 0.016 4.339 4.320 0.004 0.000 0.212 166 K C 2.390 178.839 176.600 -0.252 0.000 1.049 166 K CA 1.801 57.974 56.287 -0.189 0.000 0.932 166 K CB -0.615 31.743 32.500 -0.236 0.000 0.717 166 K HN 0.350 nan 8.250 nan 0.000 0.441 167 I N 1.315 121.579 120.570 -0.512 0.000 2.300 167 I HA -0.316 3.857 4.170 0.004 0.000 0.252 167 I C 2.148 178.126 176.117 -0.231 0.000 1.119 167 I CA 1.381 62.241 61.300 -0.732 0.000 1.384 167 I CB -0.272 37.206 38.000 -0.870 0.000 1.062 167 I HN 0.171 nan 8.210 nan 0.000 0.426 168 L N -0.550 120.620 121.223 -0.088 0.000 2.354 168 L HA -0.033 4.309 4.340 0.004 0.000 0.212 168 L C 2.349 179.316 176.870 0.161 0.000 1.091 168 L CA 0.395 55.289 54.840 0.091 0.000 0.828 168 L CB -0.459 41.626 42.059 0.043 0.000 0.973 168 L HN 0.163 nan 8.230 nan 0.000 0.461 169 E N 0.661 120.912 120.200 0.086 0.000 2.113 169 E HA -0.284 4.068 4.350 0.004 0.000 0.210 169 E C -0.482 176.179 176.600 0.101 0.000 1.040 169 E CA 2.193 58.641 56.400 0.082 0.000 0.847 169 E CB -1.085 28.643 29.700 0.046 0.000 0.755 169 E HN 0.396 nan 8.360 nan 0.000 0.459 170 P HA -0.190 nan 4.420 nan 0.000 0.214 170 P C 1.269 178.588 177.300 0.032 0.000 1.163 170 P CA 1.184 64.322 63.100 0.063 0.000 0.889 170 P CB -0.188 31.544 31.700 0.053 0.000 0.790 171 F N 0.027 119.919 119.950 -0.097 0.000 2.134 171 F HA -0.169 4.360 4.527 0.004 0.000 0.299 171 F C 2.444 178.236 175.800 -0.014 0.000 1.097 171 F CA 1.456 59.410 58.000 -0.077 0.000 1.264 171 F CB -0.308 38.669 39.000 -0.038 0.000 1.001 171 F HN -0.295 nan 8.300 nan 0.000 0.479 172 R N 0.310 120.934 120.500 0.207 0.000 2.094 172 R HA -0.204 4.139 4.340 0.004 0.000 0.239 172 R C 2.265 178.571 176.300 0.010 0.000 1.137 172 R CA 2.138 58.311 56.100 0.122 0.000 0.943 172 R CB -0.291 30.076 30.300 0.111 0.000 0.850 172 R HN 0.233 nan 8.270 nan 0.000 0.433 173 K N 0.088 120.487 120.400 -0.001 0.000 2.217 173 K HA -0.178 4.144 4.320 0.004 0.000 0.202 173 K C 1.982 178.538 176.600 -0.073 0.000 1.051 173 K CA 1.455 57.726 56.287 -0.027 0.000 0.952 173 K CB 0.106 32.601 32.500 -0.009 0.000 0.736 173 K HN 0.333 nan 8.250 nan 0.000 0.453 174 Q N -0.235 119.487 119.800 -0.130 0.000 2.360 174 Q HA 0.051 4.393 4.340 0.004 0.000 0.202 174 Q C -0.349 175.494 176.000 -0.262 0.000 0.915 174 Q CA 0.679 56.375 55.803 -0.178 0.000 0.943 174 Q CB 0.332 28.956 28.738 -0.190 0.000 1.064 174 Q HN 0.042 nan 8.270 nan 0.000 0.511 175 N N 0.316 118.840 118.700 -0.295 0.000 2.673 175 N HA 0.202 4.944 4.740 0.004 0.000 0.265 175 N C -2.563 172.868 175.510 -0.131 0.000 1.709 175 N CA -0.967 51.901 53.050 -0.302 0.000 0.792 175 N CB 1.677 39.768 38.487 -0.661 0.000 1.286 175 N HN 0.053 nan 8.380 nan 0.000 0.506 176 P HA -0.109 nan 4.420 nan 0.000 0.230 176 P C 0.436 177.731 177.300 -0.010 0.000 1.158 176 P CA 0.930 64.016 63.100 -0.024 0.000 0.769 176 P CB 0.103 31.788 31.700 -0.025 0.000 0.807 177 D N -0.960 119.428 120.400 -0.020 0.000 2.352 177 D HA -0.031 4.611 4.640 0.004 0.000 0.232 177 D C 0.439 176.754 176.300 0.026 0.000 1.055 177 D CA 0.409 54.406 54.000 -0.004 0.000 0.891 177 D CB 0.058 40.849 40.800 -0.014 0.000 0.897 177 D HN 0.226 nan 8.370 nan 0.000 0.529 178 I N 0.396 120.998 120.570 0.054 0.000 2.689 178 I HA 0.258 4.430 4.170 0.004 0.000 0.299 178 I C -0.623 175.561 176.117 0.112 0.000 1.059 178 I CA -1.340 60.029 61.300 0.116 0.000 1.055 178 I CB 2.765 40.899 38.000 0.223 0.000 1.243 178 I HN -0.313 nan 8.210 nan 0.000 0.425 179 V N 6.086 126.065 119.914 0.107 0.000 2.384 179 V HA 0.423 4.545 4.120 0.004 0.000 0.287 179 V C -0.365 175.816 176.094 0.145 0.000 1.020 179 V CA -0.454 61.900 62.300 0.091 0.000 0.850 179 V CB 1.636 33.475 31.823 0.026 0.000 0.987 179 V HN 0.372 nan 8.190 nan 0.000 0.436 180 I N 5.807 126.474 120.570 0.160 0.000 2.378 180 I HA 0.497 4.669 4.170 0.004 0.000 0.291 180 I C -0.844 175.432 176.117 0.265 0.000 0.992 180 I CA -0.404 61.011 61.300 0.191 0.000 1.154 180 I CB 1.444 39.535 38.000 0.151 0.000 1.315 180 I HN 0.581 nan 8.210 nan 0.000 0.448 181 Y N 5.605 125.995 120.300 0.149 0.000 2.457 181 Y HA 0.524 5.076 4.550 0.004 0.000 0.343 181 Y C -0.902 175.166 175.900 0.279 0.000 0.994 181 Y CA -1.022 57.190 58.100 0.187 0.000 1.031 181 Y CB 1.682 40.245 38.460 0.172 0.000 1.246 181 Y HN 0.600 nan 8.280 nan 0.000 0.449 182 Q N 5.431 125.082 119.800 -0.248 0.000 2.341 182 Q HA 0.309 4.651 4.340 0.004 0.000 0.268 182 Q C -2.233 173.596 176.000 -0.286 0.000 1.013 182 Q CA -0.842 54.856 55.803 -0.174 0.000 0.798 182 Q CB 1.262 29.967 28.738 -0.054 0.000 1.253 182 Q HN 0.756 nan 8.270 nan 0.000 0.457 183 Y N 7.152 127.368 120.300 -0.140 0.000 2.555 183 Y HA 0.299 4.851 4.550 0.003 0.000 0.326 183 Y C 0.109 176.081 175.900 0.120 0.000 0.984 183 Y CA -0.211 57.882 58.100 -0.012 0.000 1.298 183 Y CB 0.218 38.798 38.460 0.200 0.000 1.094 183 Y HN 0.961 nan 8.280 nan 0.000 0.500 184 M N 0.753 120.201 119.600 -0.253 0.000 7.319 184 M HA -0.406 4.076 4.480 0.004 0.000 0.311 184 M C 0.299 176.640 176.300 0.068 0.000 0.480 184 M CA 1.928 57.140 55.300 -0.148 0.000 1.311 184 M CB -0.864 31.634 32.600 -0.170 0.000 0.421 184 M HN 0.461 nan 8.290 nan 0.000 0.799 185 D N 1.663 122.137 120.400 0.124 0.000 2.392 185 D HA 0.079 4.721 4.640 0.004 0.000 0.228 185 D C -0.224 176.068 176.300 -0.014 0.000 1.003 185 D CA 0.915 54.975 54.000 0.099 0.000 0.917 185 D CB -0.337 40.503 40.800 0.066 0.000 0.890 185 D HN 0.301 nan 8.370 nan 0.000 0.532 186 D N 0.259 120.665 120.400 0.009 0.000 2.342 186 D HA 0.363 5.005 4.640 0.004 0.000 0.243 186 D C -0.538 175.601 176.300 -0.270 0.000 1.019 186 D CA -0.677 53.224 54.000 -0.166 0.000 0.864 186 D CB 2.583 43.276 40.800 -0.180 0.000 1.315 186 D HN -0.126 nan 8.370 nan 0.000 0.468 187 L N 2.254 123.249 121.223 -0.380 0.000 2.372 187 L HA 0.281 4.623 4.340 0.004 0.000 0.273 187 L C -1.617 175.073 176.870 -0.300 0.000 0.989 187 L CA -0.591 54.104 54.840 -0.242 0.000 0.841 187 L CB 0.785 42.758 42.059 -0.143 0.000 1.225 187 L HN 0.236 nan 8.230 nan 0.000 0.414 188 Y N 4.456 124.826 120.300 0.117 0.000 2.425 188 Y HA 0.497 5.050 4.550 0.003 0.000 0.347 188 Y C 0.039 176.028 175.900 0.147 0.000 0.976 188 Y CA -0.650 57.544 58.100 0.156 0.000 1.190 188 Y CB 1.068 39.667 38.460 0.232 0.000 1.136 188 Y HN 0.217 nan 8.280 nan 0.000 0.517 189 V N 3.729 123.778 119.914 0.225 0.000 2.334 189 V HA 0.705 4.827 4.120 0.004 0.000 0.281 189 V C 0.381 176.626 176.094 0.252 0.000 1.016 189 V CA -0.741 61.682 62.300 0.205 0.000 0.832 189 V CB 1.180 33.082 31.823 0.132 0.000 0.999 189 V HN 0.906 nan 8.190 nan 0.000 0.439 190 G N 3.077 111.992 108.800 0.192 0.000 2.448 190 G HA2 0.791 4.754 3.960 0.004 0.000 0.324 190 G HA3 0.791 4.754 3.960 0.004 0.000 0.324 190 G C -0.572 174.370 174.900 0.071 0.000 1.203 190 G CA -0.381 44.781 45.100 0.103 0.000 0.954 190 G HN 0.892 nan 8.290 nan 0.000 0.480 191 S N -0.278 115.394 115.700 -0.047 0.000 2.579 191 S HA 0.441 4.914 4.470 0.004 0.000 0.272 191 S C -0.560 173.983 174.600 -0.094 0.000 1.141 191 S CA -0.826 57.365 58.200 -0.014 0.000 0.843 191 S CB 2.355 65.633 63.200 0.130 0.000 1.122 191 S HN 0.391 nan 8.310 nan 0.000 0.468 192 D N 0.386 120.759 120.400 -0.044 0.000 2.350 192 D HA 0.164 4.806 4.640 0.004 0.000 0.213 192 D C 0.146 176.427 176.300 -0.030 0.000 1.031 192 D CA 0.246 54.215 54.000 -0.051 0.000 0.861 192 D CB -0.049 40.728 40.800 -0.039 0.000 0.926 192 D HN 0.284 nan 8.370 nan 0.000 0.520 193 L N 2.040 123.262 121.223 -0.001 0.000 2.483 193 L HA 0.024 4.366 4.340 0.004 0.000 0.276 193 L C 0.995 177.888 176.870 0.038 0.000 1.213 193 L CA -0.133 54.727 54.840 0.033 0.000 0.843 193 L CB 0.099 42.206 42.059 0.081 0.000 1.107 193 L HN 0.010 nan 8.230 nan 0.000 0.487 194 E N 1.846 122.069 120.200 0.038 0.000 2.422 194 E HA -0.031 4.321 4.350 0.004 0.000 0.260 194 E C 1.165 177.818 176.600 0.088 0.000 1.108 194 E CA -0.165 56.260 56.400 0.041 0.000 0.943 194 E CB 0.258 29.973 29.700 0.025 0.000 0.961 194 E HN 0.437 nan 8.360 nan 0.000 0.443 195 I N 2.669 123.293 120.570 0.090 0.000 2.141 195 I HA -0.305 3.867 4.170 0.004 0.000 0.243 195 I C 1.824 178.003 176.117 0.104 0.000 1.035 195 I CA 2.837 64.215 61.300 0.130 0.000 1.302 195 I CB -0.973 37.088 38.000 0.102 0.000 1.006 195 I HN 0.816 nan 8.210 nan 0.000 0.413 196 G N -1.304 107.530 108.800 0.055 0.000 2.552 196 G HA2 -0.323 3.639 3.960 0.004 0.000 0.216 196 G HA3 -0.323 3.639 3.960 0.004 0.000 0.216 196 G C 1.445 176.364 174.900 0.032 0.000 1.240 196 G CA 0.997 46.111 45.100 0.023 0.000 0.796 196 G HN 0.464 nan 8.290 nan 0.000 0.568 197 Q N -0.476 119.356 119.800 0.053 0.000 2.112 197 Q HA -0.132 4.210 4.340 0.004 0.000 0.206 197 Q C 2.203 178.261 176.000 0.097 0.000 0.987 197 Q CA 1.933 57.773 55.803 0.062 0.000 0.858 197 Q CB -0.603 28.171 28.738 0.061 0.000 0.905 197 Q HN 0.794 nan 8.270 nan 0.000 0.420 198 H N 0.338 119.434 119.070 0.043 0.000 2.293 198 H HA -0.019 4.539 4.556 0.004 0.000 0.300 198 H C 1.855 177.221 175.328 0.062 0.000 1.082 198 H CA 1.964 58.052 56.048 0.068 0.000 1.308 198 H CB 0.094 29.903 29.762 0.078 0.000 1.375 198 H HN 0.092 nan 8.280 nan 0.000 0.495 199 R N -0.703 119.721 120.500 -0.127 0.000 2.094 199 R HA -0.136 4.206 4.340 0.004 0.000 0.239 199 R C 2.412 178.608 176.300 -0.174 0.000 1.137 199 R CA 2.213 58.177 56.100 -0.228 0.000 0.943 199 R CB -0.625 29.530 30.300 -0.241 0.000 0.850 199 R HN 0.404 nan 8.270 nan 0.000 0.433 200 T N 0.877 115.375 114.554 -0.093 0.000 2.746 200 T HA -0.140 4.212 4.350 0.004 0.000 0.267 200 T C 1.722 176.421 174.700 -0.002 0.000 1.039 200 T CA 1.339 63.412 62.100 -0.045 0.000 1.142 200 T CB -0.121 68.737 68.868 -0.018 0.000 0.866 200 T HN 0.073 nan 8.240 nan 0.000 0.444 201 K N 0.758 121.174 120.400 0.026 0.000 2.097 201 K HA 0.020 4.342 4.320 0.004 0.000 0.206 201 K C 2.003 178.677 176.600 0.122 0.000 1.049 201 K CA 0.796 57.170 56.287 0.144 0.000 0.933 201 K CB -0.495 32.123 32.500 0.197 0.000 0.717 201 K HN 0.215 nan 8.250 nan 0.000 0.442 202 I N 1.030 121.565 120.570 -0.058 0.000 2.202 202 I HA -0.197 3.975 4.170 0.004 0.000 0.242 202 I C 2.190 178.256 176.117 -0.084 0.000 1.091 202 I CA 1.264 62.492 61.300 -0.121 0.000 1.368 202 I CB -1.032 36.846 38.000 -0.202 0.000 1.058 202 I HN 0.306 nan 8.210 nan 0.000 0.410 203 E N 1.012 121.179 120.200 -0.054 0.000 2.130 203 E HA -0.274 4.078 4.350 0.004 0.000 0.196 203 E C 2.058 178.658 176.600 0.000 0.000 0.998 203 E CA 1.420 57.804 56.400 -0.027 0.000 0.806 203 E CB -0.030 29.653 29.700 -0.028 0.000 0.738 203 E HN 0.545 nan 8.360 nan 0.000 0.459 204 E N -0.003 120.221 120.200 0.039 0.000 2.047 204 E HA -0.152 4.200 4.350 0.004 0.000 0.191 204 E C 2.232 178.865 176.600 0.055 0.000 0.987 204 E CA 0.613 57.076 56.400 0.105 0.000 0.799 204 E CB -0.160 29.677 29.700 0.227 0.000 0.752 204 E HN 0.181 nan 8.360 nan 0.000 0.449 205 L N 1.316 122.445 121.223 -0.157 0.000 2.083 205 L HA -0.179 4.163 4.340 0.004 0.000 0.209 205 L C 2.207 178.986 176.870 -0.152 0.000 1.083 205 L CA 1.652 56.213 54.840 -0.466 0.000 0.752 205 L CB -0.603 40.951 42.059 -0.842 0.000 0.899 205 L HN 0.187 nan 8.230 nan 0.000 0.433 206 R N -0.452 119.990 120.500 -0.097 0.000 2.075 206 R HA -0.193 4.149 4.340 0.004 0.000 0.230 206 R C 2.171 178.473 176.300 0.004 0.000 1.140 206 R CA 1.769 57.838 56.100 -0.051 0.000 0.928 206 R CB -0.526 29.752 30.300 -0.036 0.000 0.834 206 R HN 0.515 nan 8.270 nan 0.000 0.429 207 Q N -0.361 119.460 119.800 0.034 0.000 2.173 207 Q HA -0.262 4.080 4.340 0.004 0.000 0.208 207 Q C 2.101 178.179 176.000 0.130 0.000 0.989 207 Q CA 1.808 57.651 55.803 0.067 0.000 0.872 207 Q CB -0.321 28.459 28.738 0.070 0.000 0.909 207 Q HN 0.440 nan 8.270 nan 0.000 0.420 208 H N 0.789 119.886 119.070 0.045 0.000 2.352 208 H HA -0.085 4.473 4.556 0.004 0.000 0.299 208 H C 1.790 177.217 175.328 0.165 0.000 1.097 208 H CA 1.586 57.700 56.048 0.111 0.000 1.311 208 H CB -0.242 29.571 29.762 0.085 0.000 1.377 208 H HN 0.140 nan 8.280 nan 0.000 0.504 209 L N -0.806 120.402 121.223 -0.024 0.000 2.072 209 L HA -0.129 4.213 4.340 0.004 0.000 0.205 209 L C 2.295 179.186 176.870 0.034 0.000 1.079 209 L CA 0.452 55.254 54.840 -0.063 0.000 0.752 209 L CB -0.399 41.608 42.059 -0.086 0.000 0.906 209 L HN 0.222 nan 8.230 nan 0.000 0.436 210 L N -0.081 121.160 121.223 0.031 0.000 2.042 210 L HA -0.203 4.139 4.340 0.004 0.000 0.210 210 L C 2.723 179.619 176.870 0.044 0.000 1.076 210 L CA 1.595 56.454 54.840 0.032 0.000 0.749 210 L CB -1.055 41.017 42.059 0.023 0.000 0.893 210 L HN 0.248 nan 8.230 nan 0.000 0.432 211 R N -1.113 119.421 120.500 0.057 0.000 2.096 211 R HA -0.227 4.115 4.340 0.004 0.000 0.235 211 R C 2.042 178.312 176.300 -0.051 0.000 1.127 211 R CA 1.524 57.628 56.100 0.008 0.000 0.968 211 R CB -0.632 29.692 30.300 0.040 0.000 0.861 211 R HN 0.411 nan 8.270 nan 0.000 0.440 212 W N -0.559 120.697 121.300 -0.074 0.000 2.937 212 W HA 0.104 4.766 4.660 0.004 0.000 0.245 212 W C 1.526 178.026 176.519 -0.033 0.000 1.306 212 W CA 1.175 58.480 57.345 -0.067 0.000 1.470 212 W CB 0.459 29.846 29.460 -0.122 0.000 1.132 212 W HN 0.524 nan 8.180 nan 0.000 0.675 213 G N -0.138 108.745 108.800 0.138 0.000 3.246 213 G HA2 -0.207 3.755 3.960 0.004 0.000 0.196 213 G HA3 -0.207 3.755 3.960 0.004 0.000 0.196 213 G C -0.011 174.924 174.900 0.058 0.000 2.019 213 G CA -0.355 44.800 45.100 0.092 0.000 1.385 213 G HN 0.159 nan 8.290 nan 0.000 0.484 214 L N 1.898 123.150 121.223 0.047 0.000 2.410 214 L HA 0.718 5.061 4.340 0.004 0.000 0.273 214 L C 0.065 176.920 176.870 -0.025 0.000 1.152 214 L CA -0.276 54.558 54.840 -0.011 0.000 0.855 214 L CB 0.582 42.592 42.059 -0.082 0.000 1.129 214 L HN 0.160 nan 8.230 nan 0.000 0.463 215 T N 2.388 116.926 114.554 -0.027 0.000 2.834 215 T HA 0.243 4.595 4.350 0.004 0.000 0.298 215 T C 0.319 174.984 174.700 -0.059 0.000 0.966 215 T CA -0.058 62.024 62.100 -0.030 0.000 1.141 215 T CB 0.416 69.273 68.868 -0.019 0.000 0.905 215 T HN 0.766 nan 8.240 nan 0.000 0.535 216 T N 6.388 120.906 114.554 -0.061 0.000 3.155 216 T HA 0.392 4.744 4.350 0.004 0.000 0.384 216 T C -2.354 172.304 174.700 -0.070 0.000 1.351 216 T CA -1.137 60.912 62.100 -0.086 0.000 1.198 216 T CB 0.935 69.742 68.868 -0.102 0.000 1.106 216 T HN 0.325 nan 8.240 nan 0.000 0.564 232 Y N 0.775 121.136 120.300 0.103 0.000 3.239 232 Y HA -0.178 4.374 4.550 0.004 0.000 0.385 232 Y C 1.271 177.197 175.900 0.043 0.000 1.202 232 Y CA 0.900 59.050 58.100 0.084 0.000 1.317 232 Y CB -0.894 37.627 38.460 0.102 0.000 1.131 232 Y HN 0.595 nan 8.280 nan 0.000 0.514 233 E N -0.267 119.946 120.200 0.022 0.000 3.368 233 E HA 0.262 4.614 4.350 0.004 0.000 0.320 233 E C -0.223 176.224 176.600 -0.255 0.000 1.507 233 E CA 0.076 56.437 56.400 -0.064 0.000 1.600 233 E CB -0.091 29.634 29.700 0.042 0.000 1.117 233 E HN 0.341 nan 8.360 nan 0.000 0.726 234 L N 1.104 122.221 121.223 -0.176 0.000 2.456 234 L HA 0.043 4.385 4.340 0.004 0.000 0.266 234 L C -0.043 176.473 176.870 -0.591 0.000 1.258 234 L CA 1.122 55.817 54.840 -0.241 0.000 0.823 234 L CB -0.018 42.074 42.059 0.054 0.000 1.100 234 L HN 0.414 nan 8.230 nan 0.000 0.531 235 H N -0.355 118.685 119.070 -0.051 0.000 3.021 235 H HA 0.212 4.770 4.556 0.004 0.000 0.293 235 H C -2.038 172.869 175.328 -0.701 0.000 1.244 235 H CA -1.543 54.361 56.048 -0.239 0.000 1.596 235 H CB 1.206 30.894 29.762 -0.123 0.000 1.720 235 H HN 0.346 nan 8.280 nan 0.000 0.537 236 P HA -0.196 nan 4.420 nan 0.000 0.206 236 P C 0.171 176.757 177.300 -1.190 0.000 1.142 236 P CA 1.500 63.907 63.100 -1.155 0.000 0.946 236 P CB 0.344 31.722 31.700 -0.538 0.000 0.777 237 D N -0.945 119.125 120.400 -0.551 0.000 2.500 237 D HA 0.197 4.840 4.640 0.004 0.000 0.219 237 D C 0.485 176.669 176.300 -0.195 0.000 1.137 237 D CA 0.195 54.007 54.000 -0.314 0.000 0.946 237 D CB -0.291 40.412 40.800 -0.162 0.000 1.022 237 D HN -0.018 nan 8.370 nan 0.000 0.518 238 K N 1.214 121.511 120.400 -0.172 0.000 2.614 238 K HA 0.105 4.427 4.320 0.004 0.000 0.190 238 K C -0.919 175.814 176.600 0.222 0.000 1.255 238 K CA -0.421 55.869 56.287 0.004 0.000 1.099 238 K CB 0.847 33.342 32.500 -0.007 0.000 1.023 238 K HN 0.266 nan 8.250 nan 0.000 0.576 239 W N 2.608 123.945 121.300 0.062 0.000 2.347 239 W HA 0.298 4.960 4.660 0.004 0.000 0.321 239 W C -0.272 176.284 176.519 0.062 0.000 0.971 239 W CA -0.889 56.501 57.345 0.075 0.000 1.508 239 W CB 0.234 29.738 29.460 0.073 0.000 1.299 239 W HN -0.100 nan 8.180 nan 0.000 0.399 240 T N -1.442 113.267 114.554 0.259 0.000 2.797 240 T HA 0.439 4.791 4.350 0.004 0.000 0.279 240 T C -0.236 174.556 174.700 0.154 0.000 0.991 240 T CA -0.822 61.384 62.100 0.178 0.000 0.979 240 T CB 2.265 71.208 68.868 0.125 0.000 0.943 240 T HN -0.063 nan 8.240 nan 0.000 0.444 241 V N 4.230 124.233 119.914 0.148 0.000 2.393 241 V HA 0.031 4.153 4.120 0.004 0.000 0.257 241 V C 0.879 177.042 176.094 0.116 0.000 1.040 241 V CA 0.073 62.452 62.300 0.131 0.000 1.097 241 V CB -0.839 31.078 31.823 0.155 0.000 1.101 241 V HN 0.825 nan 8.190 nan 0.000 0.479 242 Q N 7.371 127.224 119.800 0.088 0.000 2.332 242 Q HA 0.247 4.590 4.340 0.004 0.000 0.263 242 Q C -1.871 174.175 176.000 0.077 0.000 0.979 242 Q CA -1.368 54.479 55.803 0.073 0.000 0.885 242 Q CB 1.040 29.806 28.738 0.048 0.000 1.218 242 Q HN 0.512 nan 8.270 nan 0.000 0.405 243 P HA 0.139 nan 4.420 nan 0.000 0.275 243 P C -0.552 176.743 177.300 -0.009 0.000 1.270 243 P CA -0.261 62.881 63.100 0.071 0.000 0.791 243 P CB 0.771 32.510 31.700 0.064 0.000 1.089 244 I N 0.367 120.898 120.570 -0.066 0.000 2.336 244 I HA 0.240 4.412 4.170 0.004 0.000 0.292 244 I C 0.483 176.475 176.117 -0.207 0.000 0.991 244 I CA -0.772 60.370 61.300 -0.264 0.000 1.227 244 I CB 1.011 38.654 38.000 -0.595 0.000 1.366 244 I HN 0.052 nan 8.210 nan 0.000 0.466 245 V N 7.976 127.776 119.914 -0.190 0.000 2.472 245 V HA 0.500 4.622 4.120 0.004 0.000 0.290 245 V C -0.192 175.838 176.094 -0.108 0.000 1.037 245 V CA -0.591 61.643 62.300 -0.109 0.000 0.908 245 V CB 1.992 33.776 31.823 -0.065 0.000 0.985 245 V HN 0.534 nan 8.190 nan 0.000 0.454 246 L N 8.579 129.782 121.223 -0.034 0.000 2.307 246 L HA 0.554 4.896 4.340 0.004 0.000 0.282 246 L C -1.888 175.027 176.870 0.076 0.000 1.051 246 L CA -1.703 53.156 54.840 0.032 0.000 0.804 246 L CB 1.594 43.701 42.059 0.079 0.000 1.197 246 L HN 0.552 nan 8.230 nan 0.000 0.431 247 P HA 0.152 nan 4.420 nan 0.000 0.272 247 P C -1.102 176.285 177.300 0.145 0.000 1.230 247 P CA -0.294 62.840 63.100 0.057 0.000 0.788 247 P CB 1.002 32.691 31.700 -0.018 0.000 0.949 248 E N 1.052 121.251 120.200 -0.003 0.000 2.272 248 E HA 0.378 4.730 4.350 0.004 0.000 0.269 248 E C -0.453 176.013 176.600 -0.224 0.000 0.877 248 E CA -0.894 55.535 56.400 0.049 0.000 0.755 248 E CB 1.920 31.673 29.700 0.088 0.000 1.192 248 E HN 0.339 nan 8.360 nan 0.000 0.422 249 K N 1.680 121.857 120.400 -0.372 0.000 2.444 249 K HA 0.316 4.638 4.320 0.004 0.000 0.252 249 K C -0.085 176.406 176.600 -0.182 0.000 0.993 249 K CA -0.764 55.231 56.287 -0.487 0.000 0.847 249 K CB 1.356 33.231 32.500 -1.042 0.000 1.340 249 K HN 0.367 nan 8.250 nan 0.000 0.446 250 D N 0.546 120.867 120.400 -0.131 0.000 2.162 250 D HA -0.052 4.590 4.640 0.004 0.000 0.203 250 D C 0.245 176.569 176.300 0.041 0.000 0.967 250 D CA 1.192 55.182 54.000 -0.016 0.000 0.840 250 D CB 0.397 41.181 40.800 -0.027 0.000 0.972 250 D HN 0.530 nan 8.370 nan 0.000 0.482 251 S N -0.865 114.820 115.700 -0.025 0.000 2.540 251 S HA 0.530 5.002 4.470 0.004 0.000 0.275 251 S C -1.460 173.142 174.600 0.003 0.000 1.123 251 S CA -1.067 57.184 58.200 0.085 0.000 0.907 251 S CB 1.328 64.556 63.200 0.046 0.000 1.081 251 S HN 0.045 nan 8.310 nan 0.000 0.476 252 W N 1.521 122.818 121.300 -0.004 0.000 2.627 252 W HA 0.657 5.319 4.660 0.004 0.000 0.339 252 W C 0.560 177.077 176.519 -0.004 0.000 1.058 252 W CA -0.471 56.871 57.345 -0.004 0.000 1.223 252 W CB 1.664 31.122 29.460 -0.003 0.000 1.389 252 W HN 0.869 nan 8.180 nan 0.000 0.541 253 T N -2.176 112.500 114.554 0.203 0.000 2.927 253 T HA 0.330 4.682 4.350 0.004 0.000 0.281 253 T C 0.822 175.601 174.700 0.133 0.000 0.998 253 T CA -0.746 61.426 62.100 0.121 0.000 1.019 253 T CB 1.202 70.106 68.868 0.061 0.000 1.061 253 T HN 0.228 nan 8.240 nan 0.000 0.518 254 V N 1.770 121.735 119.914 0.084 0.000 2.282 254 V HA -0.261 3.861 4.120 0.004 0.000 0.249 254 V C 2.878 179.015 176.094 0.072 0.000 1.057 254 V CA 2.440 64.779 62.300 0.066 0.000 1.032 254 V CB -1.262 30.586 31.823 0.041 0.000 0.645 254 V HN 1.049 nan 8.190 nan 0.000 0.447 255 N N 0.021 118.760 118.700 0.065 0.000 2.043 255 N HA -0.250 4.493 4.740 0.004 0.000 0.193 255 N C 1.567 177.133 175.510 0.092 0.000 1.037 255 N CA 1.972 55.059 53.050 0.060 0.000 0.851 255 N CB -0.144 38.367 38.487 0.040 0.000 1.027 255 N HN 0.495 nan 8.380 nan 0.000 0.422 256 D N 1.260 121.740 120.400 0.133 0.000 2.103 256 D HA -0.170 4.472 4.640 0.004 0.000 0.190 256 D C 2.125 178.593 176.300 0.280 0.000 0.997 256 D CA 0.886 55.020 54.000 0.224 0.000 0.833 256 D CB -0.477 40.511 40.800 0.314 0.000 0.961 256 D HN 0.337 nan 8.370 nan 0.000 0.447 257 I N 1.190 121.909 120.570 0.248 0.000 2.194 257 I HA -0.253 3.920 4.170 0.004 0.000 0.246 257 I C 2.390 178.544 176.117 0.063 0.000 1.093 257 I CA 1.202 62.562 61.300 0.100 0.000 1.355 257 I CB -1.213 36.800 38.000 0.021 0.000 1.046 257 I HN 0.162 nan 8.210 nan 0.000 0.413 258 Q N 0.627 120.467 119.800 0.067 0.000 2.061 258 Q HA -0.228 4.114 4.340 0.004 0.000 0.204 258 Q C 2.280 178.312 176.000 0.053 0.000 0.984 258 Q CA 1.670 57.500 55.803 0.045 0.000 0.846 258 Q CB -0.137 28.625 28.738 0.040 0.000 0.902 258 Q HN 0.521 nan 8.270 nan 0.000 0.421 259 K N 0.342 120.787 120.400 0.076 0.000 2.002 259 K HA -0.173 4.149 4.320 0.004 0.000 0.209 259 K C 2.088 178.746 176.600 0.097 0.000 1.048 259 K CA 1.099 57.432 56.287 0.077 0.000 0.930 259 K CB -0.325 32.225 32.500 0.083 0.000 0.714 259 K HN 0.047 nan 8.250 nan 0.000 0.438 260 L N 1.282 122.582 121.223 0.130 0.000 1.990 260 L HA -0.217 4.125 4.340 0.004 0.000 0.213 260 L C 2.086 179.001 176.870 0.075 0.000 1.072 260 L CA 1.631 56.547 54.840 0.126 0.000 0.755 260 L CB -0.498 41.627 42.059 0.109 0.000 0.889 260 L HN -0.038 nan 8.230 nan 0.000 0.432 261 V N 0.153 120.087 119.914 0.033 0.000 2.332 261 V HA -0.265 3.858 4.120 0.004 0.000 0.248 261 V C 2.632 178.743 176.094 0.028 0.000 1.055 261 V CA 1.875 64.181 62.300 0.010 0.000 1.038 261 V CB -1.706 30.112 31.823 -0.007 0.000 0.651 261 V HN 0.674 nan 8.190 nan 0.000 0.450 262 G N -0.689 108.136 108.800 0.042 0.000 2.440 262 G HA2 -0.313 3.649 3.960 0.004 0.000 0.218 262 G HA3 -0.313 3.649 3.960 0.004 0.000 0.218 262 G C 1.690 176.633 174.900 0.071 0.000 1.154 262 G CA 1.210 46.338 45.100 0.046 0.000 0.767 262 G HN 0.463 nan 8.290 nan 0.000 0.552 263 K N -0.313 120.151 120.400 0.106 0.000 2.001 263 K HA 0.113 4.435 4.320 0.004 0.000 0.208 263 K C 2.600 179.259 176.600 0.099 0.000 1.048 263 K CA 0.788 57.188 56.287 0.189 0.000 0.932 263 K CB -0.321 32.383 32.500 0.340 0.000 0.715 263 K HN 0.266 nan 8.250 nan 0.000 0.437 264 L N 0.912 122.183 121.223 0.080 0.000 1.997 264 L HA -0.310 4.032 4.340 0.004 0.000 0.216 264 L C 2.310 179.114 176.870 -0.110 0.000 1.074 264 L CA 1.784 56.605 54.840 -0.031 0.000 0.763 264 L CB -0.793 41.262 42.059 -0.006 0.000 0.890 264 L HN 0.351 nan 8.230 nan 0.000 0.434 265 N N -0.658 118.011 118.700 -0.051 0.000 2.091 265 N HA -0.295 4.448 4.740 0.004 0.000 0.193 265 N C 1.672 177.120 175.510 -0.104 0.000 1.021 265 N CA 1.890 54.901 53.050 -0.066 0.000 0.862 265 N CB -0.322 38.154 38.487 -0.018 0.000 1.018 265 N HN 0.401 nan 8.380 nan 0.000 0.429 266 W N 0.743 121.880 121.300 -0.272 0.000 2.407 266 W HA 0.147 4.809 4.660 0.005 0.000 0.305 266 W C 2.340 178.524 176.519 -0.559 0.000 1.196 266 W CA 1.772 58.907 57.345 -0.349 0.000 1.311 266 W CB -0.687 28.603 29.460 -0.282 0.000 1.135 266 W HN 0.151 nan 8.180 nan 0.000 0.514 267 A N 0.353 122.850 122.820 -0.539 0.000 2.032 267 A HA -0.279 4.043 4.320 0.004 0.000 0.221 267 A C 2.039 179.264 177.584 -0.599 0.000 1.165 267 A CA 2.536 54.016 52.037 -0.929 0.000 0.645 267 A CB -1.554 16.677 19.000 -1.282 0.000 0.807 267 A HN 0.435 nan 8.150 nan 0.000 0.453 268 S N -0.369 115.063 115.700 -0.447 0.000 2.440 268 S HA -0.278 4.194 4.470 0.004 0.000 0.238 268 S C 1.766 176.106 174.600 -0.433 0.000 1.010 268 S CA 1.454 59.460 58.200 -0.324 0.000 0.972 268 S CB -0.586 62.465 63.200 -0.248 0.000 0.774 268 S HN 0.729 nan 8.310 nan 0.000 0.501 269 Q N 0.449 119.814 119.800 -0.725 0.000 2.170 269 Q HA 0.064 4.406 4.340 0.004 0.000 0.203 269 Q C 2.057 177.569 176.000 -0.813 0.000 0.976 269 Q CA 1.609 56.845 55.803 -0.944 0.000 0.858 269 Q CB -0.321 27.393 28.738 -1.707 0.000 0.907 269 Q HN 0.682 nan 8.270 nan 0.000 0.433 270 I N -1.595 118.573 120.570 -0.669 0.000 2.731 270 I HA -0.072 4.100 4.170 0.004 0.000 0.260 270 I C -0.049 175.828 176.117 -0.400 0.000 1.138 270 I CA 0.405 61.461 61.300 -0.407 0.000 1.461 270 I CB 0.467 38.363 38.000 -0.174 0.000 1.128 270 I HN 0.033 nan 8.210 nan 0.000 0.438 271 Y N 0.820 120.953 120.300 -0.279 0.000 2.686 271 Y HA 0.337 4.889 4.550 0.004 0.000 0.331 271 Y C -1.990 173.789 175.900 -0.201 0.000 0.996 271 Y CA -2.644 55.343 58.100 -0.189 0.000 1.293 271 Y CB 0.285 38.669 38.460 -0.126 0.000 1.092 271 Y HN -0.109 nan 8.280 nan 0.000 0.524 272 P HA -0.129 nan 4.420 nan 0.000 0.223 272 P C 1.558 178.820 177.300 -0.063 0.000 1.144 272 P CA 1.480 64.517 63.100 -0.105 0.000 0.783 272 P CB 0.396 32.028 31.700 -0.113 0.000 0.771 273 G N -1.019 107.769 108.800 -0.021 0.000 2.744 273 G HA2 -0.032 3.930 3.960 0.004 0.000 0.211 273 G HA3 -0.032 3.930 3.960 0.004 0.000 0.211 273 G C 0.545 175.431 174.900 -0.023 0.000 1.143 273 G CA -0.155 44.936 45.100 -0.015 0.000 0.788 273 G HN 0.247 nan 8.290 nan 0.000 0.534 274 I N 0.999 121.549 120.570 -0.034 0.000 2.533 274 I HA 0.196 4.368 4.170 0.004 0.000 0.284 274 I C 0.122 176.199 176.117 -0.067 0.000 1.109 274 I CA 0.298 61.564 61.300 -0.057 0.000 1.412 274 I CB 0.959 38.905 38.000 -0.089 0.000 1.396 274 I HN -0.058 nan 8.210 nan 0.000 0.543 275 K N 4.550 124.915 120.400 -0.058 0.000 2.328 275 K HA 0.543 4.865 4.320 0.004 0.000 0.246 275 K C -0.213 176.351 176.600 -0.059 0.000 0.955 275 K CA -0.634 55.618 56.287 -0.058 0.000 0.817 275 K CB 3.018 35.488 32.500 -0.049 0.000 1.208 275 K HN 0.303 nan 8.250 nan 0.000 0.432 276 V N 2.409 122.289 119.914 -0.058 0.000 3.432 276 V HA 0.065 4.187 4.120 0.004 0.000 0.290 276 V C 1.189 177.250 176.094 -0.055 0.000 1.591 276 V CA 0.183 62.448 62.300 -0.059 0.000 1.069 276 V CB 0.006 31.797 31.823 -0.054 0.000 0.892 276 V HN 0.691 nan 8.190 nan 0.000 0.436 277 R N -0.078 120.392 120.500 -0.050 0.000 2.094 277 R HA -0.203 4.139 4.340 0.004 0.000 0.239 277 R C 2.134 178.405 176.300 -0.047 0.000 1.137 277 R CA 2.178 58.251 56.100 -0.044 0.000 0.943 277 R CB -0.230 30.047 30.300 -0.039 0.000 0.850 277 R HN 0.444 nan 8.270 nan 0.000 0.433 278 Q N 0.586 120.354 119.800 -0.053 0.000 2.135 278 Q HA -0.142 4.200 4.340 0.004 0.000 0.204 278 Q C 2.269 178.227 176.000 -0.070 0.000 0.981 278 Q CA 1.410 57.179 55.803 -0.057 0.000 0.856 278 Q CB -0.256 28.445 28.738 -0.061 0.000 0.902 278 Q HN 0.439 nan 8.270 nan 0.000 0.425 279 L N -0.791 120.382 121.223 -0.083 0.000 2.072 279 L HA -0.164 4.179 4.340 0.004 0.000 0.205 279 L C 2.617 179.446 176.870 -0.070 0.000 1.079 279 L CA 0.671 55.450 54.840 -0.101 0.000 0.752 279 L CB -0.488 41.497 42.059 -0.123 0.000 0.906 279 L HN 0.219 nan 8.230 nan 0.000 0.436 280 C N 0.084 119.352 119.300 -0.054 0.000 2.413 280 C HA -0.159 4.303 4.460 0.004 0.000 0.277 280 C C 2.819 177.789 174.990 -0.033 0.000 1.265 280 C CA 0.770 59.766 59.018 -0.038 0.000 1.752 280 C CB -0.688 27.032 27.740 -0.033 0.000 1.998 280 C HN 0.411 nan 8.230 nan 0.000 0.489 281 K N 0.468 120.846 120.400 -0.036 0.000 2.097 281 K HA -0.075 4.248 4.320 0.004 0.000 0.206 281 K C 1.728 178.311 176.600 -0.028 0.000 1.049 281 K CA 1.144 57.413 56.287 -0.030 0.000 0.933 281 K CB -0.243 32.238 32.500 -0.031 0.000 0.717 281 K HN 0.526 nan 8.250 nan 0.000 0.442 282 L N 0.382 121.583 121.223 -0.037 0.000 2.291 282 L HA -0.112 4.230 4.340 0.004 0.000 0.214 282 L C 1.562 178.419 176.870 -0.021 0.000 1.120 282 L CA 0.261 55.082 54.840 -0.032 0.000 0.799 282 L CB -0.126 41.903 42.059 -0.051 0.000 0.925 282 L HN 0.100 nan 8.230 nan 0.000 0.446 283 L N -0.063 121.147 121.223 -0.022 0.000 2.688 283 L HA 0.181 4.524 4.340 0.004 0.000 0.234 283 L C 0.744 177.610 176.870 -0.007 0.000 1.192 283 L CA 0.462 55.296 54.840 -0.010 0.000 0.984 283 L CB -0.502 41.550 42.059 -0.012 0.000 1.232 283 L HN 0.015 nan 8.230 nan 0.000 0.465 284 R N -0.110 120.384 120.500 -0.009 0.000 2.265 284 R HA 0.603 4.945 4.340 0.004 0.000 0.319 284 R C -0.394 175.904 176.300 -0.004 0.000 1.006 284 R CA 0.219 56.315 56.100 -0.007 0.000 0.880 284 R CB 0.872 31.166 30.300 -0.010 0.000 1.077 284 R HN 0.212 nan 8.270 nan 0.000 0.454 285 G N 2.010 110.809 108.800 -0.001 0.000 3.326 285 G HA2 -0.185 3.777 3.960 0.004 0.000 0.681 285 G HA3 -0.185 3.777 3.960 0.004 0.000 0.681 285 G C -0.327 174.575 174.900 0.003 0.000 1.255 285 G CA -0.544 44.556 45.100 0.000 0.000 0.976 285 G HN 0.604 nan 8.290 nan 0.000 0.563 286 T N -0.078 114.478 114.554 0.003 0.000 3.333 286 T HA 0.418 4.770 4.350 0.004 0.000 0.240 286 T C 0.580 175.283 174.700 0.006 0.000 0.961 286 T CA 0.527 62.630 62.100 0.004 0.000 1.215 286 T CB -0.262 68.608 68.868 0.003 0.000 1.031 286 T HN 0.866 nan 8.240 nan 0.000 0.709 287 K N 0.972 121.377 120.400 0.008 0.000 2.281 287 K HA 0.768 5.090 4.320 0.004 0.000 0.242 287 K C -0.208 176.399 176.600 0.012 0.000 0.971 287 K CA -1.313 54.980 56.287 0.010 0.000 0.834 287 K CB 1.745 34.251 32.500 0.011 0.000 1.181 287 K HN 0.286 nan 8.250 nan 0.000 0.435 288 A N 1.836 124.663 122.820 0.012 0.000 2.540 288 A HA 0.048 4.370 4.320 0.004 0.000 0.239 288 A C 0.977 178.571 177.584 0.017 0.000 1.061 288 A CA -0.440 51.605 52.037 0.012 0.000 0.758 288 A CB -0.176 18.830 19.000 0.010 0.000 0.991 288 A HN 0.660 nan 8.150 nan 0.000 0.502 289 L N 2.710 123.943 121.223 0.016 0.000 2.127 289 L HA -0.140 4.202 4.340 0.004 0.000 0.211 289 L C 2.798 179.682 176.870 0.024 0.000 1.089 289 L CA 2.710 57.563 54.840 0.021 0.000 0.757 289 L CB -1.309 40.761 42.059 0.018 0.000 0.899 289 L HN 0.928 nan 8.230 nan 0.000 0.434 290 T N -3.251 111.313 114.554 0.017 0.000 3.055 290 T HA -0.069 4.283 4.350 0.004 0.000 0.265 290 T C 0.898 175.609 174.700 0.019 0.000 1.111 290 T CA -0.045 62.064 62.100 0.014 0.000 1.118 290 T CB -0.374 68.498 68.868 0.007 0.000 0.909 290 T HN 0.225 nan 8.240 nan 0.000 0.501 291 E N 2.037 122.250 120.200 0.022 0.000 2.480 291 E HA 0.196 4.548 4.350 0.004 0.000 0.258 291 E C -0.574 176.049 176.600 0.038 0.000 0.984 291 E CA -0.187 56.228 56.400 0.025 0.000 0.930 291 E CB 0.367 30.080 29.700 0.022 0.000 0.936 291 E HN 0.167 nan 8.360 nan 0.000 0.466 292 V N 6.289 126.226 119.914 0.039 0.000 2.607 292 V HA 0.305 4.427 4.120 0.004 0.000 0.289 292 V C 0.461 176.591 176.094 0.060 0.000 1.053 292 V CA -0.354 61.981 62.300 0.058 0.000 0.996 292 V CB 0.886 32.739 31.823 0.049 0.000 0.995 292 V HN 0.644 nan 8.190 nan 0.000 0.476 293 I N 6.005 126.625 120.570 0.084 0.000 2.466 293 I HA 0.387 4.559 4.170 0.004 0.000 0.289 293 I C -2.307 173.852 176.117 0.070 0.000 1.026 293 I CA -1.864 59.472 61.300 0.061 0.000 1.078 293 I CB 2.597 40.623 38.000 0.044 0.000 1.249 293 I HN 0.481 nan 8.210 nan 0.000 0.429 294 P HA 0.152 nan 4.420 nan 0.000 0.276 294 P C -0.738 176.569 177.300 0.013 0.000 1.235 294 P CA -0.469 62.658 63.100 0.044 0.000 0.772 294 P CB 1.326 33.044 31.700 0.030 0.000 0.871 295 L N 4.373 125.598 121.223 0.003 0.000 2.418 295 L HA 0.136 4.478 4.340 0.004 0.000 0.274 295 L C 1.115 177.962 176.870 -0.039 0.000 1.135 295 L CA 0.627 55.433 54.840 -0.057 0.000 0.870 295 L CB 0.109 42.102 42.059 -0.109 0.000 1.154 295 L HN 0.490 nan 8.230 nan 0.000 0.462 296 T N 0.047 114.573 114.554 -0.047 0.000 2.898 296 T HA 0.094 4.446 4.350 0.004 0.000 0.301 296 T C 1.069 175.747 174.700 -0.037 0.000 1.049 296 T CA -0.477 61.602 62.100 -0.034 0.000 1.095 296 T CB 0.844 69.691 68.868 -0.034 0.000 0.976 296 T HN 0.630 nan 8.240 nan 0.000 0.539 297 E N 0.976 121.161 120.200 -0.025 0.000 2.086 297 E HA -0.210 4.142 4.350 0.004 0.000 0.200 297 E C 1.878 178.460 176.600 -0.031 0.000 1.012 297 E CA 1.805 58.191 56.400 -0.023 0.000 0.812 297 E CB -0.296 29.395 29.700 -0.015 0.000 0.743 297 E HN 0.828 nan 8.360 nan 0.000 0.453 298 E N -0.507 119.673 120.200 -0.033 0.000 2.150 298 E HA -0.075 4.277 4.350 0.004 0.000 0.193 298 E C 1.773 178.343 176.600 -0.051 0.000 0.985 298 E CA 1.186 57.564 56.400 -0.036 0.000 0.814 298 E CB -0.323 29.357 29.700 -0.033 0.000 0.752 298 E HN 0.387 nan 8.360 nan 0.000 0.466 299 A N 0.947 123.728 122.820 -0.064 0.000 1.930 299 A HA -0.138 4.184 4.320 0.004 0.000 0.215 299 A C 1.908 179.428 177.584 -0.106 0.000 1.176 299 A CA 0.974 52.955 52.037 -0.094 0.000 0.632 299 A CB -0.225 18.706 19.000 -0.114 0.000 0.819 299 A HN 0.078 nan 8.150 nan 0.000 0.445 300 E N -0.283 119.865 120.200 -0.086 0.000 2.058 300 E HA -0.228 4.124 4.350 0.004 0.000 0.194 300 E C 1.986 178.552 176.600 -0.057 0.000 0.997 300 E CA 1.465 57.821 56.400 -0.073 0.000 0.801 300 E CB -0.477 29.200 29.700 -0.040 0.000 0.746 300 E HN 0.528 nan 8.360 nan 0.000 0.450 301 L N 1.684 122.880 121.223 -0.045 0.000 1.976 301 L HA -0.190 4.152 4.340 0.004 0.000 0.209 301 L C 2.436 179.281 176.870 -0.042 0.000 1.071 301 L CA 2.168 56.988 54.840 -0.034 0.000 0.746 301 L CB -0.642 41.400 42.059 -0.028 0.000 0.890 301 L HN 0.094 nan 8.230 nan 0.000 0.432 302 E N -0.531 119.637 120.200 -0.052 0.000 2.086 302 E HA -0.293 4.060 4.350 0.004 0.000 0.200 302 E C 2.307 178.869 176.600 -0.063 0.000 1.012 302 E CA 2.034 58.400 56.400 -0.056 0.000 0.812 302 E CB -0.342 29.318 29.700 -0.066 0.000 0.743 302 E HN 0.610 nan 8.360 nan 0.000 0.453 303 L N 0.136 121.307 121.223 -0.085 0.000 1.976 303 L HA -0.201 4.141 4.340 0.004 0.000 0.209 303 L C 2.623 179.464 176.870 -0.048 0.000 1.071 303 L CA 1.471 56.256 54.840 -0.092 0.000 0.746 303 L CB -0.527 41.441 42.059 -0.152 0.000 0.890 303 L HN 0.280 nan 8.230 nan 0.000 0.432 304 A N -0.406 122.392 122.820 -0.036 0.000 1.903 304 A HA -0.346 3.976 4.320 0.004 0.000 0.219 304 A C 2.133 179.710 177.584 -0.012 0.000 1.191 304 A CA 2.284 54.313 52.037 -0.013 0.000 0.638 304 A CB -0.805 18.190 19.000 -0.009 0.000 0.823 304 A HN 0.609 nan 8.150 nan 0.000 0.451 305 E N -0.316 119.873 120.200 -0.018 0.000 2.058 305 E HA -0.248 4.104 4.350 0.004 0.000 0.194 305 E C 1.819 178.408 176.600 -0.018 0.000 0.997 305 E CA 1.436 57.828 56.400 -0.015 0.000 0.801 305 E CB -0.154 29.535 29.700 -0.019 0.000 0.746 305 E HN 0.595 nan 8.360 nan 0.000 0.450 306 N N 0.516 119.200 118.700 -0.027 0.000 2.149 306 N HA -0.156 4.587 4.740 0.004 0.000 0.188 306 N C 1.751 177.242 175.510 -0.033 0.000 1.019 306 N CA 1.067 54.097 53.050 -0.033 0.000 0.857 306 N CB -0.254 38.214 38.487 -0.030 0.000 0.997 306 N HN 0.214 nan 8.380 nan 0.000 0.426 307 R N 0.858 121.349 120.500 -0.016 0.000 2.091 307 R HA -0.056 4.287 4.340 0.004 0.000 0.238 307 R C 1.862 178.154 176.300 -0.013 0.000 1.136 307 R CA 0.869 56.963 56.100 -0.009 0.000 0.959 307 R CB -0.096 30.208 30.300 0.007 0.000 0.856 307 R HN 0.254 nan 8.270 nan 0.000 0.437 308 E N 0.944 121.142 120.200 -0.004 0.000 2.038 308 E HA -0.188 4.164 4.350 0.004 0.000 0.195 308 E C 2.115 178.721 176.600 0.010 0.000 1.000 308 E CA 1.288 57.693 56.400 0.010 0.000 0.803 308 E CB -0.238 29.471 29.700 0.015 0.000 0.750 308 E HN 0.363 nan 8.360 nan 0.000 0.448 309 I N 1.025 121.590 120.570 -0.008 0.000 2.194 309 I HA -0.295 3.877 4.170 0.004 0.000 0.246 309 I C 2.403 178.470 176.117 -0.084 0.000 1.093 309 I CA 1.093 62.391 61.300 -0.003 0.000 1.355 309 I CB -0.399 37.590 38.000 -0.018 0.000 1.046 309 I HN 0.046 nan 8.210 nan 0.000 0.413 310 L N 0.353 121.459 121.223 -0.195 0.000 2.465 310 L HA -0.103 4.239 4.340 0.004 0.000 0.224 310 L C 2.289 179.125 176.870 -0.056 0.000 1.145 310 L CA 0.719 55.395 54.840 -0.274 0.000 0.834 310 L CB -0.549 41.404 42.059 -0.176 0.000 0.944 310 L HN 0.192 nan 8.230 nan 0.000 0.451 311 K N 0.274 120.677 120.400 0.006 0.000 2.360 311 K HA -0.056 4.266 4.320 0.004 0.000 0.201 311 K C 0.194 176.853 176.600 0.099 0.000 1.046 311 K CA 0.925 57.242 56.287 0.049 0.000 0.945 311 K CB 0.162 32.691 32.500 0.049 0.000 0.750 311 K HN 0.414 nan 8.250 nan 0.000 0.464 312 E N -0.425 119.867 120.200 0.154 0.000 2.408 312 E HA 0.245 4.597 4.350 0.004 0.000 0.275 312 E C -2.708 174.066 176.600 0.290 0.000 0.935 312 E CA -2.211 54.309 56.400 0.200 0.000 0.775 312 E CB 2.257 32.075 29.700 0.197 0.000 1.277 312 E HN -0.095 nan 8.360 nan 0.000 0.455 313 P HA -0.020 nan 4.420 nan 0.000 0.269 313 P C -0.060 177.326 177.300 0.144 0.000 1.209 313 P CA -0.193 63.053 63.100 0.243 0.000 0.776 313 P CB 0.698 32.522 31.700 0.206 0.000 0.876 314 V N 4.370 124.252 119.914 -0.054 0.000 2.788 314 V HA -0.051 4.072 4.120 0.004 0.000 0.307 314 V C 0.561 176.650 176.094 -0.007 0.000 1.069 314 V CA 0.254 62.400 62.300 -0.256 0.000 1.173 314 V CB -0.694 30.851 31.823 -0.463 0.000 0.925 314 V HN 0.530 nan 8.190 nan 0.000 0.492 315 H N 4.671 123.725 119.070 -0.027 0.000 2.607 315 H HA 0.514 5.072 4.556 0.004 0.000 0.367 315 H C 1.329 176.668 175.328 0.018 0.000 1.181 315 H CA -0.205 55.855 56.048 0.020 0.000 1.402 315 H CB 0.973 30.752 29.762 0.029 0.000 1.474 315 H HN 1.045 nan 8.280 nan 0.000 0.596 316 G N 0.271 109.196 108.800 0.208 0.000 2.253 316 G HA2 -0.341 3.621 3.960 0.004 0.000 0.251 316 G HA3 -0.341 3.621 3.960 0.004 0.000 0.251 316 G C 0.371 175.342 174.900 0.118 0.000 0.998 316 G CA 0.216 45.421 45.100 0.176 0.000 0.621 316 G HN 0.750 nan 8.290 nan 0.000 0.524 317 V N 0.398 120.356 119.914 0.073 0.000 2.403 317 V HA 0.619 4.741 4.120 0.004 0.000 0.265 317 V C 0.014 176.181 176.094 0.122 0.000 1.034 317 V CA -0.399 61.903 62.300 0.004 0.000 1.036 317 V CB -0.883 30.965 31.823 0.042 0.000 1.032 317 V HN 1.116 nan 8.190 nan 0.000 0.478 318 Y N 3.228 123.587 120.300 0.099 0.000 2.425 318 Y HA 0.665 5.217 4.550 0.004 0.000 0.344 318 Y C -0.617 175.371 175.900 0.146 0.000 0.969 318 Y CA -2.648 55.531 58.100 0.131 0.000 1.052 318 Y CB 0.953 39.467 38.460 0.089 0.000 1.215 318 Y HN 0.604 nan 8.280 nan 0.000 0.451 319 Y N 3.860 124.329 120.300 0.283 0.000 2.605 319 Y HA 0.153 4.705 4.550 0.004 0.000 0.336 319 Y C -0.158 175.857 175.900 0.191 0.000 1.111 319 Y CA -0.202 58.005 58.100 0.178 0.000 1.422 319 Y CB 0.318 38.956 38.460 0.297 0.000 1.193 319 Y HN 0.803 nan 8.280 nan 0.000 0.526 320 D N 9.139 129.261 120.400 -0.464 0.000 2.396 320 D HA 0.200 4.843 4.640 0.004 0.000 0.225 320 D C -1.983 173.784 176.300 -0.888 0.000 1.121 320 D CA -2.112 51.627 54.000 -0.435 0.000 0.853 320 D CB 1.892 42.580 40.800 -0.187 0.000 1.043 320 D HN 0.380 nan 8.370 nan 0.000 0.500 321 P HA -0.182 nan 4.420 nan 0.000 0.216 321 P C 1.381 178.541 177.300 -0.233 0.000 1.153 321 P CA 1.325 64.113 63.100 -0.520 0.000 0.858 321 P CB 0.202 31.817 31.700 -0.141 0.000 0.789 322 S N -1.921 113.671 115.700 -0.179 0.000 2.423 322 S HA -0.038 4.434 4.470 0.004 0.000 0.231 322 S C 0.910 175.449 174.600 -0.101 0.000 1.014 322 S CA 0.744 58.884 58.200 -0.099 0.000 0.965 322 S CB -0.648 62.509 63.200 -0.072 0.000 0.785 322 S HN 0.120 nan 8.310 nan 0.000 0.495 323 K N 1.959 122.270 120.400 -0.149 0.000 2.118 323 K HA 0.301 4.623 4.320 0.004 0.000 0.267 323 K C -0.662 175.874 176.600 -0.108 0.000 0.991 323 K CA -0.598 55.617 56.287 -0.120 0.000 0.916 323 K CB 0.540 32.964 32.500 -0.126 0.000 1.041 323 K HN 0.281 nan 8.250 nan 0.000 0.455 324 D N 1.583 121.928 120.400 -0.092 0.000 2.362 324 D HA 0.075 4.717 4.640 0.004 0.000 0.242 324 D C -0.174 176.035 176.300 -0.151 0.000 1.132 324 D CA -0.145 53.795 54.000 -0.100 0.000 0.907 324 D CB 0.863 41.604 40.800 -0.098 0.000 1.195 324 D HN -0.018 nan 8.370 nan 0.000 0.429 325 L N 1.542 122.645 121.223 -0.201 0.000 2.325 325 L HA 0.423 4.765 4.340 0.004 0.000 0.279 325 L C 0.094 176.723 176.870 -0.403 0.000 1.054 325 L CA -0.329 54.309 54.840 -0.335 0.000 0.804 325 L CB 1.186 42.986 42.059 -0.433 0.000 1.200 325 L HN 0.253 nan 8.230 nan 0.000 0.436 326 I N 2.043 122.264 120.570 -0.582 0.000 2.646 326 I HA 0.718 4.890 4.170 0.004 0.000 0.299 326 I C -0.490 175.106 176.117 -0.868 0.000 1.036 326 I CA -0.809 60.065 61.300 -0.711 0.000 1.074 326 I CB 2.089 39.586 38.000 -0.840 0.000 1.258 326 I HN 0.633 nan 8.210 nan 0.000 0.430 327 A N 5.000 127.366 122.820 -0.756 0.000 2.385 327 A HA 0.570 4.892 4.320 0.004 0.000 0.290 327 A C -0.840 176.452 177.584 -0.486 0.000 1.094 327 A CA -0.557 51.052 52.037 -0.715 0.000 0.729 327 A CB 0.822 19.163 19.000 -1.099 0.000 1.194 327 A HN 0.731 nan 8.150 nan 0.000 0.442 328 E N 1.944 122.014 120.200 -0.218 0.000 2.216 328 E HA 0.557 4.910 4.350 0.004 0.000 0.279 328 E C -0.898 175.730 176.600 0.047 0.000 0.997 328 E CA -0.341 56.039 56.400 -0.034 0.000 0.817 328 E CB 1.892 31.653 29.700 0.101 0.000 1.096 328 E HN 0.632 nan 8.360 nan 0.000 0.393 329 I N 2.284 122.921 120.570 0.110 0.000 2.530 329 I HA 0.239 4.411 4.170 0.004 0.000 0.297 329 I C -0.611 175.660 176.117 0.256 0.000 1.011 329 I CA -0.848 60.589 61.300 0.228 0.000 1.107 329 I CB 1.781 39.934 38.000 0.256 0.000 1.285 329 I HN 0.341 nan 8.210 nan 0.000 0.436 330 Q N 4.363 124.342 119.800 0.299 0.000 2.337 330 Q HA 0.352 4.694 4.340 0.004 0.000 0.270 330 Q C -0.835 175.251 176.000 0.144 0.000 1.043 330 Q CA -0.785 55.141 55.803 0.204 0.000 0.794 330 Q CB 2.643 31.462 28.738 0.135 0.000 1.281 330 Q HN 0.343 nan 8.270 nan 0.000 0.446 331 K N 1.961 122.309 120.400 -0.087 0.000 2.312 331 K HA 0.094 4.416 4.320 0.004 0.000 0.287 331 K C 0.081 176.417 176.600 -0.440 0.000 1.062 331 K CA 0.024 55.889 56.287 -0.702 0.000 0.934 331 K CB 0.689 32.760 32.500 -0.715 0.000 1.027 331 K HN 0.575 nan 8.250 nan 0.000 0.478 332 Q N 2.485 121.991 119.800 -0.489 0.000 2.384 332 Q HA 0.130 4.472 4.340 0.004 0.000 0.207 332 Q C 0.570 176.414 176.000 -0.260 0.000 0.904 332 Q CA 0.615 56.261 55.803 -0.261 0.000 0.933 332 Q CB 0.890 29.532 28.738 -0.160 0.000 1.077 332 Q HN 1.029 nan 8.270 nan 0.000 0.522 333 G N 1.263 109.837 108.800 -0.378 0.000 2.795 333 G HA2 -0.247 3.715 3.960 0.004 0.000 0.664 333 G HA3 -0.247 3.715 3.960 0.004 0.000 0.664 333 G C -0.292 174.502 174.900 -0.178 0.000 1.381 333 G CA -0.224 44.728 45.100 -0.245 0.000 0.853 333 G HN 0.137 nan 8.290 nan 0.000 0.545 334 Q N -1.742 117.998 119.800 -0.101 0.000 2.450 334 Q HA -0.266 4.077 4.340 0.004 0.000 0.255 334 Q C 2.041 178.021 176.000 -0.033 0.000 1.003 334 Q CA 3.122 58.892 55.803 -0.055 0.000 1.097 334 Q CB -1.915 26.791 28.738 -0.053 0.000 1.544 334 Q HN 2.976 nan 8.270 nan 0.000 0.531 335 G N -1.356 107.425 108.800 -0.032 0.000 2.199 335 G HA2 -0.330 3.632 3.960 0.004 0.000 0.254 335 G HA3 -0.330 3.632 3.960 0.004 0.000 0.254 335 G C 0.103 175.060 174.900 0.095 0.000 0.982 335 G CA 0.640 45.788 45.100 0.081 0.000 0.632 335 G HN 0.377 nan 8.290 nan 0.000 0.529 336 Q N -0.902 118.855 119.800 -0.072 0.000 2.260 336 Q HA 0.687 5.029 4.340 0.004 0.000 0.242 336 Q C -0.501 175.386 176.000 -0.188 0.000 0.932 336 Q CA 0.078 55.874 55.803 -0.011 0.000 0.891 336 Q CB 0.788 29.507 28.738 -0.032 0.000 1.222 336 Q HN 0.463 nan 8.270 nan 0.000 0.453 337 W N -0.240 121.142 121.300 0.136 0.000 3.138 337 W HA 0.538 5.200 4.660 0.003 0.000 0.331 337 W C -0.814 175.818 176.519 0.189 0.000 1.166 337 W CA -0.701 56.762 57.345 0.197 0.000 1.212 337 W CB 1.481 31.134 29.460 0.323 0.000 1.399 337 W HN 0.567 nan 8.180 nan 0.000 0.514 338 T N -0.273 114.479 114.554 0.331 0.000 2.887 338 T HA 0.831 5.183 4.350 0.004 0.000 0.288 338 T C -1.178 173.631 174.700 0.182 0.000 1.021 338 T CA -0.719 61.472 62.100 0.153 0.000 1.000 338 T CB 1.860 70.763 68.868 0.058 0.000 1.034 338 T HN 0.458 nan 8.240 nan 0.000 0.467 339 Y N -0.598 119.707 120.300 0.008 0.000 2.615 339 Y HA 0.831 5.383 4.550 0.003 0.000 0.341 339 Y C -1.481 174.334 175.900 -0.142 0.000 1.089 339 Y CA -1.488 56.579 58.100 -0.055 0.000 1.049 339 Y CB 1.547 39.993 38.460 -0.023 0.000 1.296 339 Y HN 0.614 nan 8.280 nan 0.000 0.470 340 Q N 1.841 121.698 119.800 0.095 0.000 2.289 340 Q HA 0.589 4.931 4.340 0.004 0.000 0.270 340 Q C -1.924 174.105 176.000 0.048 0.000 1.038 340 Q CA -0.467 55.371 55.803 0.059 0.000 0.812 340 Q CB 2.934 31.692 28.738 0.033 0.000 1.300 340 Q HN 0.694 nan 8.270 nan 0.000 0.427 341 I N 3.794 124.385 120.570 0.036 0.000 2.354 341 I HA 0.559 4.731 4.170 0.004 0.000 0.292 341 I C -0.820 175.230 176.117 -0.111 0.000 0.989 341 I CA -0.535 60.645 61.300 -0.200 0.000 1.188 341 I CB 0.477 38.349 38.000 -0.213 0.000 1.342 341 I HN 0.584 nan 8.210 nan 0.000 0.457 342 Y N 3.023 123.193 120.300 -0.217 0.000 2.853 342 Y HA 0.593 5.145 4.550 0.003 0.000 0.326 342 Y C -0.137 175.642 175.900 -0.202 0.000 1.384 342 Y CA -0.922 57.071 58.100 -0.179 0.000 1.077 342 Y CB 0.878 39.262 38.460 -0.127 0.000 1.395 342 Y HN 0.454 nan 8.280 nan 0.000 0.451 343 Q N -0.395 119.491 119.800 0.143 0.000 2.384 343 Q HA 0.313 4.655 4.340 0.004 0.000 0.264 343 Q C -0.908 175.165 176.000 0.123 0.000 0.825 343 Q CA 0.122 55.941 55.803 0.026 0.000 0.984 343 Q CB 1.728 30.427 28.738 -0.066 0.000 1.183 343 Q HN 0.725 nan 8.270 nan 0.000 0.537 344 E N 2.345 122.612 120.200 0.112 0.000 2.224 344 E HA 0.284 4.636 4.350 0.004 0.000 0.265 344 E C -2.656 173.808 176.600 -0.227 0.000 0.878 344 E CA -2.325 54.057 56.400 -0.030 0.000 0.759 344 E CB 2.154 31.807 29.700 -0.079 0.000 1.164 344 E HN -0.058 nan 8.360 nan 0.000 0.414 345 P HA -0.139 nan 4.420 nan 0.000 0.263 345 P C -0.099 176.779 177.300 -0.703 0.000 1.168 345 P CA 0.625 63.145 63.100 -0.967 0.000 0.759 345 P CB 0.261 31.444 31.700 -0.862 0.000 0.782 346 F N -0.189 119.515 119.950 -0.410 0.000 2.558 346 F HA -0.234 4.295 4.527 0.003 0.000 0.554 346 F C 1.015 176.713 175.800 -0.169 0.000 0.517 346 F CA 1.443 59.297 58.000 -0.242 0.000 1.084 346 F CB -2.004 36.820 39.000 -0.293 0.000 1.821 346 F HN 0.348 nan 8.300 nan 0.000 0.262 347 K N 1.833 122.202 120.400 -0.053 0.000 2.758 347 K HA 0.189 4.511 4.320 0.004 0.000 0.250 347 K C -0.127 176.490 176.600 0.029 0.000 1.268 347 K CA -0.292 55.978 56.287 -0.029 0.000 1.228 347 K CB -0.152 32.305 32.500 -0.071 0.000 1.715 347 K HN 0.129 nan 8.250 nan 0.000 0.334 348 N N 1.545 120.297 118.700 0.087 0.000 2.513 348 N HA 0.029 4.771 4.740 0.004 0.000 0.268 348 N C 0.988 176.591 175.510 0.156 0.000 1.180 348 N CA 0.086 53.235 53.050 0.165 0.000 0.948 348 N CB 0.940 39.549 38.487 0.204 0.000 1.083 348 N HN 0.232 nan 8.380 nan 0.000 0.455 349 L N 0.523 121.837 121.223 0.152 0.000 2.307 349 L HA 0.160 4.502 4.340 0.004 0.000 0.211 349 L C 0.982 178.028 176.870 0.293 0.000 1.099 349 L CA 0.777 55.747 54.840 0.217 0.000 0.816 349 L CB 0.007 42.157 42.059 0.153 0.000 0.952 349 L HN 0.493 nan 8.230 nan 0.000 0.455 350 K N -0.226 120.321 120.400 0.245 0.000 2.587 350 K HA 0.372 4.694 4.320 0.004 0.000 0.276 350 K C -1.384 175.316 176.600 0.165 0.000 0.956 350 K CA -0.432 56.004 56.287 0.250 0.000 0.857 350 K CB 2.153 34.871 32.500 0.363 0.000 1.431 350 K HN -0.060 nan 8.250 nan 0.000 0.420 351 T N -0.917 113.688 114.554 0.083 0.000 2.916 351 T HA 0.854 5.206 4.350 0.004 0.000 0.305 351 T C -0.341 174.169 174.700 -0.317 0.000 1.119 351 T CA -0.666 61.367 62.100 -0.113 0.000 1.008 351 T CB 1.916 70.778 68.868 -0.011 0.000 1.129 351 T HN 0.710 nan 8.240 nan 0.000 0.480 352 G N 0.592 108.867 108.800 -0.875 0.000 2.646 352 G HA2 0.588 4.550 3.960 0.004 0.000 0.291 352 G HA3 0.588 4.550 3.960 0.004 0.000 0.291 352 G C -1.979 172.506 174.900 -0.691 0.000 1.445 352 G CA -1.039 43.567 45.100 -0.824 0.000 0.814 352 G HN 0.824 nan 8.290 nan 0.000 0.495 353 K N 0.496 120.786 120.400 -0.182 0.000 2.425 353 K HA 0.486 4.808 4.320 0.004 0.000 0.259 353 K C -1.597 175.135 176.600 0.221 0.000 0.978 353 K CA -0.834 55.470 56.287 0.030 0.000 0.883 353 K CB 1.317 33.831 32.500 0.022 0.000 1.110 353 K HN 0.512 nan 8.250 nan 0.000 0.436 354 Y N 3.293 123.741 120.300 0.247 0.000 2.313 354 Y HA 0.493 5.045 4.550 0.003 0.000 0.332 354 Y C -0.768 175.287 175.900 0.259 0.000 1.071 354 Y CA -0.589 57.673 58.100 0.269 0.000 1.169 354 Y CB 1.155 39.796 38.460 0.302 0.000 1.192 354 Y HN 0.651 nan 8.280 nan 0.000 0.487 355 A N 7.024 129.575 122.820 -0.448 0.000 2.306 355 A HA 0.536 4.858 4.320 0.004 0.000 0.330 355 A C -0.357 176.793 177.584 -0.724 0.000 1.146 355 A CA -1.060 50.756 52.037 -0.368 0.000 0.827 355 A CB 0.582 19.480 19.000 -0.170 0.000 1.178 355 A HN 0.923 nan 8.150 nan 0.000 0.490 356 R N 1.130 121.463 120.500 -0.278 0.000 2.585 356 R HA 0.141 4.483 4.340 0.004 0.000 0.275 356 R C -0.236 175.970 176.300 -0.157 0.000 1.018 356 R CA -0.052 55.958 56.100 -0.151 0.000 1.072 356 R CB 0.102 30.423 30.300 0.036 0.000 0.953 356 R HN 0.688 nan 8.270 nan 0.000 0.419 357 M N 4.974 124.534 119.600 -0.066 0.000 2.200 357 M HA 0.076 4.558 4.480 0.004 0.000 0.355 357 M C 0.026 176.310 176.300 -0.025 0.000 1.283 357 M CA 0.108 55.401 55.300 -0.011 0.000 1.124 357 M CB 0.717 33.353 32.600 0.060 0.000 1.625 357 M HN 0.487 nan 8.290 nan 0.000 0.463 358 R N 3.899 124.391 120.500 -0.014 0.000 2.936 358 R HA 0.219 4.562 4.340 0.004 0.000 0.361 358 R C 0.532 176.806 176.300 -0.044 0.000 0.873 358 R CA 0.726 56.822 56.100 -0.007 0.000 1.041 358 R CB -1.267 29.040 30.300 0.012 0.000 0.924 358 R HN 1.008 nan 8.270 nan 0.000 0.401 359 G N 1.919 110.653 108.800 -0.109 0.000 2.905 359 G HA2 -0.241 3.722 3.960 0.004 0.000 0.196 359 G HA3 -0.241 3.722 3.960 0.004 0.000 0.196 359 G C 0.501 175.029 174.900 -0.621 0.000 1.044 359 G CA -0.227 44.691 45.100 -0.304 0.000 0.778 359 G HN 0.782 nan 8.290 nan 0.000 0.474 360 A N 2.165 124.790 122.820 -0.325 0.000 2.478 360 A HA 0.441 4.764 4.320 0.004 0.000 0.239 360 A C 1.466 178.945 177.584 -0.174 0.000 1.480 360 A CA 1.094 52.970 52.037 -0.268 0.000 1.308 360 A CB -1.384 17.521 19.000 -0.158 0.000 0.899 360 A HN 0.865 nan 8.150 nan 0.000 0.600 361 H N -1.974 117.097 119.070 0.001 0.000 2.357 361 H HA -0.084 4.475 4.556 0.004 0.000 0.301 361 H C 1.347 176.680 175.328 0.009 0.000 1.082 361 H CA 1.604 57.659 56.048 0.012 0.000 1.342 361 H CB -0.646 29.121 29.762 0.007 0.000 1.389 361 H HN 0.401 nan 8.280 nan 0.000 0.511 362 T N 0.894 115.594 114.554 0.245 0.000 2.995 362 T HA -0.085 4.267 4.350 0.004 0.000 0.269 362 T C 0.679 175.404 174.700 0.041 0.000 1.091 362 T CA 1.077 63.256 62.100 0.133 0.000 1.128 362 T CB -0.373 68.573 68.868 0.130 0.000 0.891 362 T HN 0.637 nan 8.240 nan 0.000 0.492 363 N N 0.092 118.792 118.700 0.000 0.000 2.235 363 N HA 0.265 5.008 4.740 0.004 0.000 0.293 363 N C -0.455 175.065 175.510 0.017 0.000 1.083 363 N CA -0.690 52.343 53.050 -0.027 0.000 0.801 363 N CB 1.567 39.986 38.487 -0.113 0.000 1.559 363 N HN -0.326 nan 8.380 nan 0.000 0.472 364 D N 1.194 121.659 120.400 0.107 0.000 2.149 364 D HA -0.086 4.556 4.640 0.004 0.000 0.201 364 D C 1.688 178.060 176.300 0.120 0.000 0.972 364 D CA 1.039 55.197 54.000 0.264 0.000 0.835 364 D CB 0.026 41.072 40.800 0.410 0.000 0.966 364 D HN 0.390 nan 8.370 nan 0.000 0.476 365 V N 1.758 121.719 119.914 0.079 0.000 2.324 365 V HA -0.245 3.877 4.120 0.004 0.000 0.250 365 V C 2.510 178.568 176.094 -0.060 0.000 1.060 365 V CA 1.429 63.797 62.300 0.113 0.000 1.042 365 V CB -0.473 31.460 31.823 0.182 0.000 0.650 365 V HN 0.104 nan 8.190 nan 0.000 0.450 366 K N 0.217 120.399 120.400 -0.362 0.000 1.991 366 K HA -0.215 4.108 4.320 0.004 0.000 0.212 366 K C 2.310 178.772 176.600 -0.231 0.000 1.049 366 K CA 1.970 57.901 56.287 -0.593 0.000 0.932 366 K CB -0.458 31.655 32.500 -0.646 0.000 0.717 366 K HN 0.613 nan 8.250 nan 0.000 0.441 367 Q N 0.434 120.145 119.800 -0.149 0.000 2.096 367 Q HA -0.124 4.218 4.340 0.004 0.000 0.204 367 Q C 2.305 178.058 176.000 -0.411 0.000 0.982 367 Q CA 1.228 56.960 55.803 -0.118 0.000 0.850 367 Q CB -0.109 28.649 28.738 0.034 0.000 0.901 367 Q HN 0.271 nan 8.270 nan 0.000 0.422 368 L N 0.604 121.534 121.223 -0.489 0.000 1.976 368 L HA -0.211 4.131 4.340 0.004 0.000 0.209 368 L C 2.651 179.440 176.870 -0.136 0.000 1.071 368 L CA 1.927 56.467 54.840 -0.500 0.000 0.746 368 L CB -0.734 41.199 42.059 -0.211 0.000 0.890 368 L HN 0.465 nan 8.230 nan 0.000 0.432 369 T N -2.899 111.749 114.554 0.155 0.000 2.635 369 T HA -0.282 4.070 4.350 0.004 0.000 0.267 369 T C 1.553 176.313 174.700 0.099 0.000 1.040 369 T CA 1.658 63.965 62.100 0.344 0.000 1.156 369 T CB -0.715 68.394 68.868 0.402 0.000 0.863 369 T HN 0.419 nan 8.240 nan 0.000 0.430 370 E N 1.847 122.022 120.200 -0.042 0.000 2.086 370 E HA -0.146 4.206 4.350 0.004 0.000 0.200 370 E C 2.697 179.085 176.600 -0.353 0.000 1.012 370 E CA 1.241 57.559 56.400 -0.138 0.000 0.812 370 E CB -0.518 29.149 29.700 -0.055 0.000 0.743 370 E HN 0.694 nan 8.360 nan 0.000 0.453 371 A N 0.994 123.442 122.820 -0.620 0.000 1.883 371 A HA -0.181 4.141 4.320 0.004 0.000 0.217 371 A C 2.570 179.931 177.584 -0.371 0.000 1.186 371 A CA 1.558 53.088 52.037 -0.846 0.000 0.624 371 A CB -0.886 17.621 19.000 -0.822 0.000 0.822 371 A HN 0.132 nan 8.150 nan 0.000 0.444 372 V N 0.183 119.965 119.914 -0.219 0.000 2.252 372 V HA -0.401 3.721 4.120 0.004 0.000 0.249 372 V C 2.703 178.775 176.094 -0.037 0.000 1.056 372 V CA 2.515 64.662 62.300 -0.254 0.000 1.022 372 V CB -1.130 30.530 31.823 -0.272 0.000 0.641 372 V HN 0.676 nan 8.190 nan 0.000 0.445 373 Q N -0.502 119.310 119.800 0.020 0.000 2.020 373 Q HA -0.212 4.130 4.340 0.004 0.000 0.202 373 Q C 2.481 178.550 176.000 0.116 0.000 0.982 373 Q CA 1.366 57.244 55.803 0.124 0.000 0.838 373 Q CB -0.314 28.327 28.738 -0.161 0.000 0.899 373 Q HN 0.489 nan 8.270 nan 0.000 0.423 374 K N 0.750 121.113 120.400 -0.060 0.000 2.044 374 K HA -0.166 4.156 4.320 0.004 0.000 0.210 374 K C 2.079 178.580 176.600 -0.166 0.000 1.049 374 K CA 1.258 57.485 56.287 -0.101 0.000 0.927 374 K CB -0.404 31.985 32.500 -0.185 0.000 0.713 374 K HN 0.286 nan 8.250 nan 0.000 0.443 375 I N 0.810 121.250 120.570 -0.216 0.000 2.142 375 I HA -0.267 3.905 4.170 0.004 0.000 0.240 375 I C 2.242 178.280 176.117 -0.132 0.000 1.078 375 I CA 1.465 62.594 61.300 -0.284 0.000 1.343 375 I CB -0.725 37.091 38.000 -0.306 0.000 1.046 375 I HN 0.148 nan 8.210 nan 0.000 0.405 376 T N 0.075 114.633 114.554 0.007 0.000 2.720 376 T HA -0.196 4.156 4.350 0.004 0.000 0.268 376 T C 1.892 176.428 174.700 -0.274 0.000 1.037 376 T CA 2.105 64.116 62.100 -0.149 0.000 1.144 376 T CB -0.625 68.037 68.868 -0.343 0.000 0.864 376 T HN 0.379 nan 8.240 nan 0.000 0.444 377 T N 2.353 116.833 114.554 -0.125 0.000 2.635 377 T HA -0.166 4.186 4.350 0.004 0.000 0.267 377 T C 1.944 176.586 174.700 -0.097 0.000 1.040 377 T CA 1.583 63.674 62.100 -0.015 0.000 1.156 377 T CB -0.411 68.551 68.868 0.156 0.000 0.863 377 T HN 0.581 nan 8.240 nan 0.000 0.430 378 E N 0.943 121.053 120.200 -0.150 0.000 2.110 378 E HA -0.086 4.267 4.350 0.004 0.000 0.193 378 E C 2.595 179.150 176.600 -0.075 0.000 0.988 378 E CA 1.236 57.517 56.400 -0.199 0.000 0.804 378 E CB -0.170 29.198 29.700 -0.553 0.000 0.745 378 E HN 0.393 nan 8.360 nan 0.000 0.458 379 S N 0.983 116.657 115.700 -0.042 0.000 2.382 379 S HA -0.125 4.347 4.470 0.004 0.000 0.228 379 S C 2.058 176.639 174.600 -0.032 0.000 1.027 379 S CA 0.811 59.089 58.200 0.129 0.000 0.991 379 S CB -0.162 63.006 63.200 -0.053 0.000 0.823 379 S HN 0.203 nan 8.310 nan 0.000 0.469 380 I N 1.112 121.530 120.570 -0.253 0.000 2.163 380 I HA -0.139 4.033 4.170 0.004 0.000 0.240 380 I C 2.264 178.242 176.117 -0.232 0.000 1.081 380 I CA 0.858 61.914 61.300 -0.406 0.000 1.353 380 I CB -0.683 36.943 38.000 -0.624 0.000 1.054 380 I HN 0.128 nan 8.210 nan 0.000 0.407 381 V N 1.545 121.331 119.914 -0.213 0.000 2.231 381 V HA -0.322 3.800 4.120 0.004 0.000 0.248 381 V C 2.287 178.322 176.094 -0.097 0.000 1.054 381 V CA 2.202 64.432 62.300 -0.117 0.000 1.015 381 V CB -0.498 31.355 31.823 0.051 0.000 0.638 381 V HN 0.308 nan 8.190 nan 0.000 0.444 382 I N -1.522 118.898 120.570 -0.249 0.000 2.094 382 I HA -0.210 3.962 4.170 0.004 0.000 0.234 382 I C 2.357 178.047 176.117 -0.712 0.000 1.063 382 I CA 1.957 62.886 61.300 -0.618 0.000 1.328 382 I CB -0.408 36.801 38.000 -1.318 0.000 1.058 382 I HN 0.376 nan 8.210 nan 0.000 0.400 383 W N 0.426 121.473 121.300 -0.422 0.000 2.996 383 W HA 0.301 4.964 4.660 0.004 0.000 0.270 383 W C 1.274 177.297 176.519 -0.827 0.000 1.280 383 W CA 0.695 57.620 57.345 -0.699 0.000 1.549 383 W CB -0.488 28.474 29.460 -0.832 0.000 1.079 383 W HN 0.386 nan 8.180 nan 0.000 0.629 384 G N 2.420 110.956 108.800 -0.439 0.000 2.272 384 G HA2 -0.308 3.654 3.960 0.004 0.000 0.280 384 G HA3 -0.308 3.654 3.960 0.004 0.000 0.280 384 G C -0.171 174.626 174.900 -0.170 0.000 1.067 384 G CA 0.817 45.759 45.100 -0.263 0.000 0.902 384 G HN 0.277 nan 8.290 nan 0.000 0.500 385 K N -0.456 119.813 120.400 -0.218 0.000 2.551 385 K HA 0.621 4.944 4.320 0.004 0.000 0.269 385 K C 0.040 176.529 176.600 -0.185 0.000 0.949 385 K CA -0.274 55.945 56.287 -0.113 0.000 0.849 385 K CB 1.236 33.725 32.500 -0.017 0.000 1.411 385 K HN 0.240 nan 8.250 nan 0.000 0.432 386 T N 1.571 116.070 114.554 -0.091 0.000 2.743 386 T HA 0.407 4.759 4.350 0.004 0.000 0.293 386 T C -2.257 172.389 174.700 -0.089 0.000 0.945 386 T CA -1.490 60.554 62.100 -0.094 0.000 1.030 386 T CB 0.897 69.772 68.868 0.013 0.000 0.912 386 T HN 0.312 nan 8.240 nan 0.000 0.483 387 P HA 0.300 nan 4.420 nan 0.000 0.284 387 P C -0.556 176.653 177.300 -0.153 0.000 1.253 387 P CA -0.775 62.183 63.100 -0.237 0.000 0.800 387 P CB 1.041 32.496 31.700 -0.408 0.000 0.961 388 K N 2.465 122.741 120.400 -0.208 0.000 2.339 388 K HA 0.265 4.587 4.320 0.004 0.000 0.286 388 K C -0.252 176.232 176.600 -0.193 0.000 1.050 388 K CA -0.179 56.036 56.287 -0.120 0.000 0.956 388 K CB 0.174 32.585 32.500 -0.148 0.000 0.990 388 K HN 0.385 nan 8.250 nan 0.000 0.475 389 F N 2.132 121.999 119.950 -0.138 0.000 2.394 389 F HA 0.206 4.735 4.527 0.003 0.000 0.340 389 F C 0.862 176.542 175.800 -0.200 0.000 1.105 389 F CA -0.282 57.624 58.000 -0.156 0.000 1.124 389 F CB 1.027 39.955 39.000 -0.120 0.000 1.145 389 F HN 0.173 nan 8.300 nan 0.000 0.505 390 K N 4.987 125.346 120.400 -0.068 0.000 2.357 390 K HA 0.388 4.711 4.320 0.004 0.000 0.251 390 K C -1.046 175.521 176.600 -0.055 0.000 1.069 390 K CA -0.262 55.975 56.287 -0.082 0.000 0.994 390 K CB 0.568 33.037 32.500 -0.053 0.000 1.411 390 K HN 0.508 nan 8.250 nan 0.000 0.450 391 L N 5.046 126.169 121.223 -0.167 0.000 2.319 391 L HA 0.243 4.586 4.340 0.004 0.000 0.280 391 L C -1.701 175.175 176.870 0.009 0.000 1.099 391 L CA -1.826 52.911 54.840 -0.172 0.000 0.828 391 L CB 0.615 42.340 42.059 -0.555 0.000 1.150 391 L HN 0.317 nan 8.230 nan 0.000 0.442 392 P HA 0.230 nan 4.420 nan 0.000 0.225 392 P C -0.570 176.826 177.300 0.160 0.000 1.813 392 P CA 0.327 63.513 63.100 0.143 0.000 1.013 392 P CB 0.457 32.273 31.700 0.194 0.000 1.961 393 I N -0.632 120.029 120.570 0.150 0.000 2.908 393 I HA 0.208 4.380 4.170 0.004 0.000 0.300 393 I C -1.052 175.087 176.117 0.038 0.000 1.385 393 I CA -1.079 60.298 61.300 0.128 0.000 1.004 393 I CB 3.029 41.120 38.000 0.152 0.000 1.309 393 I HN -0.089 nan 8.210 nan 0.000 0.449 394 Q N 5.590 125.382 119.800 -0.014 0.000 2.297 394 Q HA 0.071 4.413 4.340 0.004 0.000 0.267 394 Q C 0.956 176.737 176.000 -0.366 0.000 1.006 394 Q CA 0.195 55.922 55.803 -0.126 0.000 0.896 394 Q CB 1.368 30.087 28.738 -0.032 0.000 1.186 394 Q HN 0.661 nan 8.270 nan 0.000 0.392 395 K N 3.617 123.591 120.400 -0.710 0.000 2.032 395 K HA -0.329 3.993 4.320 0.004 0.000 0.218 395 K C 1.032 177.381 176.600 -0.418 0.000 1.054 395 K CA 2.423 58.095 56.287 -1.025 0.000 0.941 395 K CB 0.045 32.161 32.500 -0.641 0.000 0.720 395 K HN 0.660 nan 8.250 nan 0.000 0.449 396 E N 0.147 120.212 120.200 -0.225 0.000 2.086 396 E HA -0.193 4.159 4.350 0.004 0.000 0.200 396 E C 2.062 178.612 176.600 -0.084 0.000 1.012 396 E CA 2.380 58.705 56.400 -0.126 0.000 0.812 396 E CB -0.636 29.021 29.700 -0.071 0.000 0.743 396 E HN 0.504 nan 8.360 nan 0.000 0.453 397 T N 0.106 114.674 114.554 0.023 0.000 2.674 397 T HA -0.177 4.175 4.350 0.004 0.000 0.265 397 T C 1.396 176.254 174.700 0.263 0.000 1.039 397 T CA 1.177 63.420 62.100 0.238 0.000 1.150 397 T CB -0.555 68.486 68.868 0.288 0.000 0.864 397 T HN 0.391 nan 8.240 nan 0.000 0.427 398 W N 2.440 123.705 121.300 -0.058 0.000 2.333 398 W HA -0.176 4.486 4.660 0.003 0.000 0.316 398 W C 2.030 178.537 176.519 -0.020 0.000 1.215 398 W CA 1.448 58.752 57.345 -0.068 0.000 1.278 398 W CB -0.135 29.193 29.460 -0.220 0.000 1.154 398 W HN 0.295 nan 8.180 nan 0.000 0.486 399 E N -0.382 119.770 120.200 -0.080 0.000 2.130 399 E HA -0.203 4.149 4.350 0.004 0.000 0.196 399 E C 1.916 178.338 176.600 -0.296 0.000 0.998 399 E CA 2.197 58.499 56.400 -0.163 0.000 0.806 399 E CB -0.842 28.765 29.700 -0.156 0.000 0.738 399 E HN 0.288 nan 8.360 nan 0.000 0.459 400 T N -0.437 113.893 114.554 -0.374 0.000 2.904 400 T HA -0.074 4.278 4.350 0.004 0.000 0.267 400 T C 1.080 175.316 174.700 -0.774 0.000 1.059 400 T CA 0.748 62.433 62.100 -0.691 0.000 1.137 400 T CB 0.005 68.206 68.868 -1.112 0.000 0.879 400 T HN 0.321 nan 8.240 nan 0.000 0.467 401 W N -0.068 121.106 121.300 -0.212 0.000 2.725 401 W HA 0.259 4.921 4.660 0.003 0.000 0.336 401 W C 1.748 178.074 176.519 -0.322 0.000 1.012 401 W CA -1.016 56.194 57.345 -0.225 0.000 1.566 401 W CB -0.451 28.987 29.460 -0.037 0.000 1.068 401 W HN 0.373 nan 8.180 nan 0.000 0.546 402 W N 2.258 123.261 121.300 -0.496 0.000 2.325 402 W HA -0.271 4.391 4.660 0.003 0.000 0.299 402 W C 1.662 177.993 176.519 -0.314 0.000 1.215 402 W CA 2.548 59.452 57.345 -0.736 0.000 1.244 402 W CB -1.746 26.658 29.460 -1.760 0.000 1.140 402 W HN -0.163 nan 8.180 nan 0.000 0.523 403 T N -0.548 113.312 114.554 -1.158 0.000 2.720 403 T HA -0.269 4.083 4.350 0.004 0.000 0.268 403 T C 1.564 176.104 174.700 -0.266 0.000 1.037 403 T CA 1.764 63.355 62.100 -0.849 0.000 1.144 403 T CB -0.771 67.619 68.868 -0.796 0.000 0.864 403 T HN 0.060 nan 8.240 nan 0.000 0.444 404 E N 0.987 120.972 120.200 -0.358 0.000 2.219 404 E HA -0.125 4.227 4.350 0.004 0.000 0.198 404 E C 1.002 177.242 176.600 -0.599 0.000 0.998 404 E CA 1.253 57.357 56.400 -0.494 0.000 0.818 404 E CB -0.224 29.020 29.700 -0.760 0.000 0.741 404 E HN 0.859 nan 8.360 nan 0.000 0.477 405 Y N -2.742 117.607 120.300 0.081 0.000 2.527 405 Y HA 0.165 4.717 4.550 0.003 0.000 0.247 405 Y C 0.641 176.636 175.900 0.159 0.000 1.138 405 Y CA -0.998 57.154 58.100 0.087 0.000 1.228 405 Y CB -0.107 38.395 38.460 0.070 0.000 1.252 405 Y HN 0.015 nan 8.280 nan 0.000 0.531 406 W N 3.948 125.306 121.300 0.097 0.000 2.253 406 W HA 0.208 4.870 4.660 0.003 0.000 0.322 406 W C -0.397 176.149 176.519 0.044 0.000 1.342 406 W CA 0.586 58.019 57.345 0.147 0.000 1.218 406 W CB 0.768 30.385 29.460 0.263 0.000 1.205 406 W HN 0.174 nan 8.180 nan 0.000 0.551 407 Q N 4.418 123.942 119.800 -0.461 0.000 2.366 407 Q HA 0.367 4.709 4.340 0.004 0.000 0.356 407 Q C -0.606 175.003 176.000 -0.653 0.000 0.866 407 Q CA -0.242 55.323 55.803 -0.396 0.000 1.109 407 Q CB 1.126 29.709 28.738 -0.257 0.000 1.361 407 Q HN 0.363 nan 8.270 nan 0.000 0.404 408 A N -0.131 122.106 122.820 -0.972 0.000 2.475 408 A HA 0.507 4.829 4.320 0.004 0.000 0.301 408 A C 0.862 178.124 177.584 -0.537 0.000 1.059 408 A CA -0.512 50.864 52.037 -1.100 0.000 0.710 408 A CB 1.091 18.819 19.000 -2.120 0.000 1.288 408 A HN 0.252 nan 8.150 nan 0.000 0.408 409 T N -1.053 113.183 114.554 -0.530 0.000 2.962 409 T HA -0.001 4.351 4.350 0.004 0.000 0.270 409 T C 0.616 175.394 174.700 0.131 0.000 1.088 409 T CA 0.863 62.884 62.100 -0.132 0.000 1.127 409 T CB -0.459 68.361 68.868 -0.080 0.000 0.883 409 T HN 0.714 nan 8.240 nan 0.000 0.493 410 W N 0.569 122.114 121.300 0.409 0.000 2.497 410 W HA 0.737 5.399 4.660 0.003 0.000 0.359 410 W C -0.994 175.942 176.519 0.695 0.000 1.131 410 W CA -1.784 55.835 57.345 0.457 0.000 1.280 410 W CB 0.688 30.393 29.460 0.408 0.000 1.319 410 W HN -0.082 nan 8.180 nan 0.000 0.626 411 I N 3.441 124.515 120.570 0.839 0.000 2.468 411 I HA 0.192 4.364 4.170 0.004 0.000 0.284 411 I C -2.083 174.185 176.117 0.252 0.000 1.038 411 I CA -2.192 59.419 61.300 0.519 0.000 1.083 411 I CB 2.014 40.152 38.000 0.231 0.000 1.223 411 I HN -0.023 nan 8.210 nan 0.000 0.443 412 P HA 0.209 nan 4.420 nan 0.000 0.276 412 P C -0.608 176.547 177.300 -0.241 0.000 1.244 412 P CA -0.391 62.766 63.100 0.095 0.000 0.801 412 P CB 1.087 32.944 31.700 0.261 0.000 1.006 413 E N 0.833 120.926 120.200 -0.177 0.000 2.390 413 E HA 0.208 4.560 4.350 0.004 0.000 0.261 413 E C -0.418 176.075 176.600 -0.178 0.000 1.076 413 E CA 0.540 56.740 56.400 -0.333 0.000 0.905 413 E CB 0.330 29.924 29.700 -0.177 0.000 0.984 413 E HN 0.486 nan 8.360 nan 0.000 0.427 414 W N 0.244 121.430 121.300 -0.190 0.000 3.146 414 W HA 0.490 5.153 4.660 0.005 0.000 0.319 414 W C -1.119 175.089 176.519 -0.517 0.000 1.258 414 W CA -1.025 56.113 57.345 -0.345 0.000 1.189 414 W CB 0.111 29.260 29.460 -0.517 0.000 1.412 414 W HN 0.479 nan 8.180 nan 0.000 0.567 415 E N 0.624 120.630 120.200 -0.323 0.000 2.408 415 E HA 0.745 5.097 4.350 0.004 0.000 0.275 415 E C -1.842 174.332 176.600 -0.709 0.000 0.935 415 E CA -1.059 55.064 56.400 -0.460 0.000 0.775 415 E CB 2.454 32.058 29.700 -0.160 0.000 1.277 415 E HN 0.263 nan 8.360 nan 0.000 0.455 416 F N 0.737 120.681 119.950 -0.009 0.000 2.469 416 F HA 0.576 5.105 4.527 0.005 0.000 0.332 416 F C 0.165 175.960 175.800 -0.008 0.000 1.103 416 F CA -0.855 57.115 58.000 -0.050 0.000 0.979 416 F CB 1.990 40.953 39.000 -0.061 0.000 1.137 416 F HN 0.465 nan 8.300 nan 0.000 0.463 417 V N -0.619 119.382 119.914 0.145 0.000 3.141 417 V HA 0.650 4.772 4.120 0.004 0.000 0.312 417 V C -1.089 175.065 176.094 0.100 0.000 1.157 417 V CA -1.108 61.254 62.300 0.104 0.000 1.041 417 V CB 2.203 34.067 31.823 0.068 0.000 1.071 417 V HN 0.614 nan 8.190 nan 0.000 0.441 418 N N 1.318 120.068 118.700 0.083 0.000 2.678 418 N HA 0.361 5.103 4.740 0.004 0.000 0.231 418 N C -0.211 175.341 175.510 0.070 0.000 1.038 418 N CA -0.204 52.890 53.050 0.072 0.000 0.932 418 N CB 0.727 39.251 38.487 0.062 0.000 1.176 418 N HN 0.855 nan 8.380 nan 0.000 0.511 419 T N 3.138 117.736 114.554 0.074 0.000 2.750 419 T HA 0.040 4.392 4.350 0.004 0.000 0.277 419 T C -2.040 172.696 174.700 0.060 0.000 0.996 419 T CA -0.282 61.863 62.100 0.074 0.000 1.195 419 T CB -0.158 68.755 68.868 0.075 0.000 0.963 419 T HN 0.227 nan 8.240 nan 0.000 0.516 420 P HA 0.151 nan 4.420 nan 0.000 0.271 420 P C -1.432 175.878 177.300 0.018 0.000 1.226 420 P CA -1.467 61.667 63.100 0.057 0.000 0.765 420 P CB 0.503 32.261 31.700 0.097 0.000 0.835 421 P HA -0.190 nan 4.420 nan 0.000 0.216 421 P C 1.423 178.653 177.300 -0.115 0.000 1.153 421 P CA 1.365 64.440 63.100 -0.042 0.000 0.858 421 P CB 0.187 31.869 31.700 -0.029 0.000 0.789 422 L N 0.061 121.179 121.223 -0.175 0.000 1.989 422 L HA -0.167 4.175 4.340 0.004 0.000 0.211 422 L C 2.878 179.299 176.870 -0.749 0.000 1.071 422 L CA 2.020 56.603 54.840 -0.428 0.000 0.749 422 L CB -1.124 40.651 42.059 -0.473 0.000 0.890 422 L HN -0.083 nan 8.230 nan 0.000 0.431 423 V N -2.550 117.008 119.914 -0.593 0.000 2.392 423 V HA -0.281 3.841 4.120 0.004 0.000 0.249 423 V C 2.581 178.602 176.094 -0.122 0.000 1.059 423 V CA 1.815 63.828 62.300 -0.478 0.000 1.051 423 V CB -0.737 31.203 31.823 0.195 0.000 0.658 423 V HN 0.400 nan 8.190 nan 0.000 0.455 424 K N -0.022 120.350 120.400 -0.047 0.000 2.002 424 K HA -0.120 4.202 4.320 0.004 0.000 0.209 424 K C 2.196 178.780 176.600 -0.026 0.000 1.048 424 K CA 1.872 58.176 56.287 0.028 0.000 0.930 424 K CB -0.485 32.012 32.500 -0.005 0.000 0.714 424 K HN 0.469 nan 8.250 nan 0.000 0.438 425 L N 0.473 121.635 121.223 -0.101 0.000 2.042 425 L HA -0.227 4.115 4.340 0.004 0.000 0.210 425 L C 2.355 179.179 176.870 -0.076 0.000 1.076 425 L CA 1.501 56.291 54.840 -0.083 0.000 0.749 425 L CB -1.706 40.304 42.059 -0.082 0.000 0.893 425 L HN 0.456 nan 8.230 nan 0.000 0.432 426 W N 0.216 121.285 121.300 -0.384 0.000 2.329 426 W HA -0.316 4.346 4.660 0.003 0.000 0.324 426 W C 2.544 178.894 176.519 -0.280 0.000 1.222 426 W CA 1.567 58.672 57.345 -0.400 0.000 1.270 426 W CB -0.539 28.498 29.460 -0.705 0.000 1.167 426 W HN 0.141 nan 8.180 nan 0.000 0.467 427 Y N 1.123 121.363 120.300 -0.099 0.000 2.403 427 Y HA -0.250 4.302 4.550 0.003 0.000 0.291 427 Y C 2.710 178.501 175.900 -0.180 0.000 1.143 427 Y CA 1.906 59.910 58.100 -0.159 0.000 1.257 427 Y CB -1.345 37.126 38.460 0.018 0.000 0.984 427 Y HN 0.219 nan 8.280 nan 0.000 0.550 428 Q N 0.083 119.860 119.800 -0.039 0.000 2.234 428 Q HA -0.192 4.151 4.340 0.004 0.000 0.206 428 Q C 1.009 176.937 176.000 -0.121 0.000 0.980 428 Q CA 1.102 56.868 55.803 -0.061 0.000 0.869 428 Q CB -0.177 28.522 28.738 -0.064 0.000 0.912 428 Q HN 0.407 nan 8.270 nan 0.000 0.436 429 L N 1.748 122.830 121.223 -0.234 0.000 2.660 429 L HA 0.109 4.451 4.340 0.004 0.000 0.238 429 L C 0.178 176.889 176.870 -0.265 0.000 1.161 429 L CA 0.702 55.376 54.840 -0.277 0.000 0.937 429 L CB -0.259 41.548 42.059 -0.421 0.000 1.122 429 L HN 0.068 nan 8.230 nan 0.000 0.435 430 E N 0.885 120.978 120.200 -0.178 0.000 2.414 430 E HA -0.030 4.323 4.350 0.004 0.000 0.263 430 E C 0.398 176.950 176.600 -0.079 0.000 1.000 430 E CA 0.006 56.339 56.400 -0.112 0.000 0.914 430 E CB 0.750 30.426 29.700 -0.040 0.000 0.948 430 E HN 0.112 nan 8.360 nan 0.000 0.444 431 K N 2.608 122.972 120.400 -0.060 0.000 2.414 431 K HA -0.019 4.303 4.320 0.004 0.000 0.272 431 K C -0.468 176.123 176.600 -0.015 0.000 0.993 431 K CA 0.587 56.853 56.287 -0.035 0.000 0.964 431 K CB 0.486 32.976 32.500 -0.018 0.000 0.925 431 K HN 0.424 nan 8.250 nan 0.000 0.487 432 E N 3.780 123.973 120.200 -0.012 0.000 2.272 432 E HA 0.293 4.645 4.350 0.004 0.000 0.269 432 E C -2.366 174.237 176.600 0.005 0.000 0.877 432 E CA -2.084 54.315 56.400 -0.000 0.000 0.755 432 E CB 1.762 31.458 29.700 -0.007 0.000 1.192 432 E HN 0.546 nan 8.360 nan 0.000 0.422 433 P HA 0.044 nan 4.420 nan 0.000 0.268 433 P C 0.967 178.272 177.300 0.009 0.000 1.205 433 P CA -0.014 63.096 63.100 0.016 0.000 0.771 433 P CB 0.771 32.486 31.700 0.025 0.000 0.858 434 I N 0.815 121.389 120.570 0.007 0.000 2.335 434 I HA -0.110 4.062 4.170 0.004 0.000 0.251 434 I C 0.588 176.708 176.117 0.005 0.000 1.129 434 I CA 0.909 62.211 61.300 0.003 0.000 1.402 434 I CB -0.623 37.379 38.000 0.003 0.000 1.069 434 I HN 0.091 nan 8.210 nan 0.000 0.424 435 V N -1.991 117.929 119.914 0.010 0.000 2.697 435 V HA 0.690 4.812 4.120 0.004 0.000 0.300 435 V C 0.841 176.946 176.094 0.018 0.000 1.115 435 V CA -0.266 62.041 62.300 0.012 0.000 0.912 435 V CB 0.781 32.610 31.823 0.010 0.000 1.024 435 V HN 0.150 nan 8.190 nan 0.000 0.431 436 G N 3.010 111.823 108.800 0.022 0.000 2.433 436 G HA2 0.434 4.396 3.960 0.004 0.000 0.216 436 G HA3 0.434 4.396 3.960 0.004 0.000 0.216 436 G C 0.540 175.459 174.900 0.031 0.000 1.186 436 G CA 1.347 46.465 45.100 0.031 0.000 0.779 436 G HN 1.849 nan 8.290 nan 0.000 0.543 437 A N 0.000 122.836 122.820 0.026 0.000 2.254 437 A HA 0.000 4.322 4.320 0.004 0.000 0.244 437 A CA 0.000 52.050 52.037 0.022 0.000 0.836 437 A CB 0.000 19.016 19.000 0.026 0.000 0.831 437 A HN 0.000 nan 8.150 nan 0.000 0.486