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 1fgj_1_B DATA FIRST_RESID 1 DATA SEQUENCE DISTVPDETY DALKLDRGKA TPKETYEALV KRYKDPAHGA GKGTMGDYWE DATA SEQUENCE PIAISIYMDP NTFYKPPVSP KEVAERKDCV ECHSDETPVW VRAWKRSTHA DATA SEQUENCE NLDKIRNLKS DDPLYYKKGK LEEVENNLRS MGKLGEKETL KEVGCIDCHV DATA SEQUENCE DVNKKDKADH TKDIRMPTAD TCGTCHLREF AERESERDTM VWPNGQWPAG DATA SEQUENCE RPSHALDYTA NIETTVWATM PQREVAEGCT MCHTNQNKCD NCHTRHEFSA DATA SEQUENCE AESRKPEACA TCHSGVDHNN WEAYTMSKHG KLAEMNRDKW NWEVRLKDAF DATA SEQUENCE SKGGQNAPTC AACHMEYEGE YTHNITRKTR WANYPFVPGI AENITSDWSE DATA SEQUENCE ARLDSWVLTC TQCHSERFAR SYLDLMDKGT LEGLAKYQEA NAIVHKMYED DATA SEQUENCE GTLTGQKTNR PNPPEPEKPG FGIFTQLFWS KGNNPASLEL KVLEMGENNL DATA SEQUENCE AKMHVGLAHV NPGGWTYTEG WGPMNRAYVE IQDEYTKMQE LSALQARVN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.331 176.300 0.052 0.000 2.045 1 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 1 D CB 0.000 40.735 40.800 -0.109 0.000 0.688 2 I N 3.752 124.405 120.570 0.139 0.000 2.355 2 I HA 0.208 4.382 4.170 0.006 0.000 0.288 2 I C 1.501 177.671 176.117 0.088 0.000 0.999 2 I CA -0.536 60.831 61.300 0.112 0.000 1.163 2 I CB 1.860 39.936 38.000 0.127 0.000 1.316 2 I HN 0.574 nan 8.210 nan 0.000 0.454 3 S N 1.909 117.632 115.700 0.038 0.000 2.442 3 S HA -0.167 4.306 4.470 0.006 0.000 0.236 3 S C 1.572 176.191 174.600 0.032 0.000 1.007 3 S CA 1.470 59.683 58.200 0.021 0.000 0.965 3 S CB -0.634 62.570 63.200 0.007 0.000 0.773 3 S HN 0.797 nan 8.310 nan 0.000 0.504 4 T N -0.924 113.654 114.554 0.041 0.000 3.065 4 T HA 0.309 4.663 4.350 0.006 0.000 0.252 4 T C 0.451 175.170 174.700 0.032 0.000 1.099 4 T CA -0.194 61.926 62.100 0.033 0.000 1.063 4 T CB -0.269 68.616 68.868 0.029 0.000 0.948 4 T HN 0.194 nan 8.240 nan 0.000 0.506 5 V N 5.286 125.239 119.914 0.066 0.000 2.406 5 V HA 0.345 4.469 4.120 0.006 0.000 0.272 5 V C -1.990 174.175 176.094 0.117 0.000 1.043 5 V CA -2.238 60.101 62.300 0.064 0.000 0.915 5 V CB 1.030 32.894 31.823 0.068 0.000 0.988 5 V HN 0.312 nan 8.190 nan 0.000 0.466 6 P HA 0.171 nan 4.420 nan 0.000 0.274 6 P C 0.074 177.447 177.300 0.122 0.000 1.231 6 P CA -0.274 62.856 63.100 0.051 0.000 0.790 6 P CB 1.121 32.808 31.700 -0.022 0.000 0.951 7 D N 1.317 121.778 120.400 0.101 0.000 2.172 7 D HA -0.197 4.446 4.640 0.006 0.000 0.196 7 D C 1.667 178.031 176.300 0.107 0.000 0.999 7 D CA 1.386 55.458 54.000 0.120 0.000 0.856 7 D CB -0.180 40.644 40.800 0.040 0.000 0.934 7 D HN 0.486 nan 8.370 nan 0.000 0.453 8 E N 0.352 120.578 120.200 0.044 0.000 2.114 8 E HA -0.178 4.175 4.350 0.006 0.000 0.199 8 E C 2.127 178.728 176.600 0.002 0.000 1.008 8 E CA 1.370 57.778 56.400 0.013 0.000 0.810 8 E CB -0.651 29.038 29.700 -0.019 0.000 0.739 8 E HN 0.367 nan 8.360 nan 0.000 0.456 9 T N 0.616 115.157 114.554 -0.021 0.000 2.737 9 T HA -0.134 4.219 4.350 0.006 0.000 0.265 9 T C 1.874 176.495 174.700 -0.131 0.000 1.038 9 T CA 1.225 63.258 62.100 -0.113 0.000 1.144 9 T CB -0.543 68.201 68.868 -0.205 0.000 0.866 9 T HN 0.170 nan 8.240 nan 0.000 0.434 10 Y N 2.034 122.305 120.300 -0.049 0.000 2.128 10 Y HA -0.156 4.398 4.550 0.006 0.000 0.284 10 Y C 2.564 178.446 175.900 -0.030 0.000 1.154 10 Y CA 1.243 59.319 58.100 -0.039 0.000 1.149 10 Y CB -0.456 37.985 38.460 -0.032 0.000 0.976 10 Y HN 0.180 nan 8.280 nan 0.000 0.505 11 D N -0.340 120.137 120.400 0.129 0.000 2.092 11 D HA -0.209 4.434 4.640 0.006 0.000 0.193 11 D C 2.310 178.629 176.300 0.031 0.000 0.994 11 D CA 1.544 55.584 54.000 0.067 0.000 0.828 11 D CB -0.728 40.101 40.800 0.049 0.000 0.963 11 D HN 0.338 nan 8.370 nan 0.000 0.450 12 A N 0.713 123.538 122.820 0.008 0.000 1.917 12 A HA -0.147 4.176 4.320 0.006 0.000 0.219 12 A C 2.357 179.925 177.584 -0.027 0.000 1.182 12 A CA 1.134 53.165 52.037 -0.010 0.000 0.633 12 A CB -0.757 18.226 19.000 -0.029 0.000 0.819 12 A HN 0.249 nan 8.150 nan 0.000 0.448 13 L N -2.021 119.170 121.223 -0.053 0.000 2.492 13 L HA 0.057 4.400 4.340 0.006 0.000 0.223 13 L C 0.248 177.108 176.870 -0.017 0.000 1.132 13 L CA 0.303 55.102 54.840 -0.067 0.000 0.850 13 L CB -0.198 41.783 42.059 -0.130 0.000 0.966 13 L HN 0.324 nan 8.230 nan 0.000 0.454 14 K N 1.246 121.656 120.400 0.016 0.000 3.393 14 K HA -0.152 4.171 4.320 0.006 0.000 0.272 14 K C -0.818 175.815 176.600 0.055 0.000 1.004 14 K CA 0.335 56.645 56.287 0.038 0.000 0.764 14 K CB -1.486 31.029 32.500 0.024 0.000 1.373 14 K HN 0.252 nan 8.250 nan 0.000 0.458 15 L N -0.077 121.209 121.223 0.105 0.000 2.341 15 L HA 0.386 4.730 4.340 0.006 0.000 0.267 15 L C 0.352 177.321 176.870 0.164 0.000 1.009 15 L CA -1.090 53.835 54.840 0.142 0.000 0.819 15 L CB 1.512 43.689 42.059 0.197 0.000 1.323 15 L HN 0.085 nan 8.230 nan 0.000 0.425 16 D N 1.684 122.136 120.400 0.086 0.000 2.317 16 D HA 0.070 4.713 4.640 0.006 0.000 0.252 16 D C 0.911 177.159 176.300 -0.086 0.000 1.174 16 D CA 0.028 54.030 54.000 0.004 0.000 0.866 16 D CB 1.473 42.267 40.800 -0.010 0.000 1.127 16 D HN 0.476 nan 8.370 nan 0.000 0.467 17 R N 2.651 122.967 120.500 -0.305 0.000 2.132 17 R HA -0.127 4.217 4.340 0.006 0.000 0.233 17 R C 1.077 177.125 176.300 -0.419 0.000 1.125 17 R CA 1.732 57.356 56.100 -0.793 0.000 0.914 17 R CB -0.415 29.461 30.300 -0.706 0.000 0.845 17 R HN 0.429 nan 8.270 nan 0.000 0.431 18 G N -0.386 108.269 108.800 -0.241 0.000 2.977 18 G HA2 0.279 4.243 3.960 0.006 0.000 0.306 18 G HA3 0.279 4.243 3.960 0.006 0.000 0.306 18 G C -0.162 174.689 174.900 -0.082 0.000 0.885 18 G CA -0.226 44.791 45.100 -0.138 0.000 1.649 18 G HN 0.314 nan 8.290 nan 0.000 0.514 19 K N 0.387 120.753 120.400 -0.056 0.000 1.927 19 K HA 0.109 4.432 4.320 0.006 0.000 0.127 19 K C 1.032 177.638 176.600 0.009 0.000 2.420 19 K CA 0.402 56.677 56.287 -0.020 0.000 1.187 19 K CB -0.705 31.784 32.500 -0.019 0.000 2.694 19 K HN 0.548 nan 8.250 nan 0.000 0.406 20 A N 2.009 124.848 122.820 0.033 0.000 2.546 20 A HA 0.380 4.703 4.320 0.006 0.000 0.243 20 A C 0.422 178.054 177.584 0.079 0.000 1.063 20 A CA 0.929 53.016 52.037 0.084 0.000 0.757 20 A CB -0.416 18.692 19.000 0.180 0.000 0.991 20 A HN 0.408 nan 8.150 nan 0.000 0.503 21 T N 0.854 115.447 114.554 0.064 0.000 2.902 21 T HA 0.496 4.849 4.350 0.006 0.000 0.280 21 T C -1.922 172.818 174.700 0.067 0.000 0.992 21 T CA -1.641 60.491 62.100 0.052 0.000 1.015 21 T CB 1.097 69.985 68.868 0.033 0.000 1.044 21 T HN 0.286 nan 8.240 nan 0.000 0.520 22 P HA -0.120 nan 4.420 nan 0.000 0.216 22 P C 1.524 178.869 177.300 0.074 0.000 1.153 22 P CA 1.229 64.364 63.100 0.058 0.000 0.858 22 P CB 0.109 31.820 31.700 0.018 0.000 0.789 23 K N 0.008 120.436 120.400 0.046 0.000 2.057 23 K HA -0.163 4.160 4.320 0.006 0.000 0.206 23 K C 1.962 178.627 176.600 0.109 0.000 1.050 23 K CA 1.427 57.748 56.287 0.057 0.000 0.935 23 K CB -0.193 32.318 32.500 0.019 0.000 0.715 23 K HN 0.107 nan 8.250 nan 0.000 0.439 24 E N -0.394 119.855 120.200 0.080 0.000 2.077 24 E HA -0.132 4.221 4.350 0.006 0.000 0.193 24 E C 1.909 178.554 176.600 0.075 0.000 0.989 24 E CA 1.681 58.125 56.400 0.073 0.000 0.800 24 E CB 0.004 29.739 29.700 0.058 0.000 0.746 24 E HN 0.350 nan 8.360 nan 0.000 0.452 25 T N 0.433 115.039 114.554 0.086 0.000 2.777 25 T HA -0.180 4.173 4.350 0.006 0.000 0.266 25 T C 1.644 176.368 174.700 0.039 0.000 1.040 25 T CA 1.182 63.309 62.100 0.044 0.000 1.141 25 T CB -0.445 68.458 68.868 0.059 0.000 0.868 25 T HN 0.278 nan 8.240 nan 0.000 0.444 26 Y N 2.082 122.382 120.300 -0.000 0.000 2.181 26 Y HA -0.139 4.414 4.550 0.004 0.000 0.288 26 Y C 2.298 178.221 175.900 0.039 0.000 1.146 26 Y CA 1.476 59.598 58.100 0.037 0.000 1.164 26 Y CB -0.244 38.243 38.460 0.046 0.000 0.982 26 Y HN 0.268 nan 8.280 nan 0.000 0.515 27 E N 0.194 120.495 120.200 0.168 0.000 2.077 27 E HA -0.220 4.133 4.350 0.006 0.000 0.193 27 E C 2.394 178.971 176.600 -0.037 0.000 0.989 27 E CA 0.978 57.423 56.400 0.074 0.000 0.800 27 E CB -0.358 29.413 29.700 0.120 0.000 0.746 27 E HN 0.600 nan 8.360 nan 0.000 0.452 28 A N 1.428 124.226 122.820 -0.038 0.000 1.851 28 A HA -0.197 4.126 4.320 0.006 0.000 0.216 28 A C 2.244 179.752 177.584 -0.127 0.000 1.195 28 A CA 1.276 53.271 52.037 -0.070 0.000 0.622 28 A CB -0.885 18.073 19.000 -0.070 0.000 0.831 28 A HN 0.138 nan 8.150 nan 0.000 0.444 29 L N -0.374 120.737 121.223 -0.186 0.000 2.043 29 L HA -0.208 4.135 4.340 0.006 0.000 0.212 29 L C 2.402 179.168 176.870 -0.173 0.000 1.075 29 L CA 1.333 56.020 54.840 -0.254 0.000 0.752 29 L CB -0.515 41.309 42.059 -0.392 0.000 0.891 29 L HN 0.269 nan 8.230 nan 0.000 0.432 30 V N -0.878 118.920 119.914 -0.194 0.000 2.970 30 V HA -0.159 3.965 4.120 0.006 0.000 0.260 30 V C 2.424 178.525 176.094 0.012 0.000 1.100 30 V CA 1.071 63.323 62.300 -0.079 0.000 1.122 30 V CB -0.544 31.115 31.823 -0.274 0.000 0.721 30 V HN 0.349 nan 8.190 nan 0.000 0.483 31 K N 0.609 120.988 120.400 -0.035 0.000 2.001 31 K HA -0.121 4.202 4.320 0.006 0.000 0.208 31 K C 2.192 178.780 176.600 -0.020 0.000 1.048 31 K CA 1.347 57.624 56.287 -0.015 0.000 0.932 31 K CB -0.529 31.954 32.500 -0.028 0.000 0.715 31 K HN 0.360 nan 8.250 nan 0.000 0.437 32 R N 0.090 120.540 120.500 -0.084 0.000 2.070 32 R HA -0.186 4.157 4.340 0.006 0.000 0.233 32 R C 2.328 178.598 176.300 -0.050 0.000 1.137 32 R CA 1.502 57.489 56.100 -0.189 0.000 0.945 32 R CB -0.602 29.497 30.300 -0.334 0.000 0.845 32 R HN 0.195 nan 8.270 nan 0.000 0.430 33 Y N 1.444 121.688 120.300 -0.094 0.000 2.241 33 Y HA -0.206 4.347 4.550 0.005 0.000 0.286 33 Y C 1.614 177.528 175.900 0.023 0.000 1.166 33 Y CA 1.757 59.853 58.100 -0.007 0.000 1.203 33 Y CB 0.161 38.661 38.460 0.067 0.000 0.977 33 Y HN -0.024 nan 8.280 nan 0.000 0.529 34 K N 0.147 120.558 120.400 0.019 0.000 2.379 34 K HA 0.009 4.333 4.320 0.006 0.000 0.194 34 K C -0.187 176.399 176.600 -0.023 0.000 1.031 34 K CA 0.318 56.580 56.287 -0.042 0.000 1.037 34 K CB -0.226 32.295 32.500 0.035 0.000 0.824 34 K HN 0.270 nan 8.250 nan 0.000 0.516 35 D N 1.776 122.187 120.400 0.019 0.000 2.343 35 D HA 0.056 4.700 4.640 0.006 0.000 0.255 35 D C -1.845 174.504 176.300 0.081 0.000 1.187 35 D CA -2.148 51.897 54.000 0.075 0.000 0.875 35 D CB 1.567 42.468 40.800 0.168 0.000 1.136 35 D HN -0.161 nan 8.370 nan 0.000 0.469 36 P HA -0.140 nan 4.420 nan 0.000 0.216 36 P C 0.886 178.201 177.300 0.025 0.000 1.150 36 P CA 1.540 64.659 63.100 0.030 0.000 0.843 36 P CB 0.110 31.822 31.700 0.019 0.000 0.787 37 A N -1.265 121.562 122.820 0.011 0.000 2.186 37 A HA -0.211 4.113 4.320 0.006 0.000 0.219 37 A C 1.654 179.097 177.584 -0.235 0.000 1.159 37 A CA 1.462 53.441 52.037 -0.096 0.000 0.680 37 A CB -1.278 17.650 19.000 -0.120 0.000 0.787 37 A HN 0.330 nan 8.150 nan 0.000 0.467 38 H N -2.612 116.460 119.070 0.003 0.000 2.755 38 H HA 0.289 4.848 4.556 0.005 0.000 0.273 38 H C 1.475 176.806 175.328 0.005 0.000 1.055 38 H CA 0.831 56.882 56.048 0.005 0.000 1.191 38 H CB 0.857 30.620 29.762 0.002 0.000 1.536 38 H HN 0.599 nan 8.280 nan 0.000 0.529 39 G N 0.419 109.267 108.800 0.080 0.000 2.425 39 G HA2 -0.108 3.855 3.960 0.006 0.000 0.177 39 G HA3 -0.108 3.855 3.960 0.006 0.000 0.177 39 G C 0.356 175.283 174.900 0.045 0.000 0.999 39 G CA -0.068 45.067 45.100 0.058 0.000 0.723 39 G HN 0.510 nan 8.290 nan 0.000 0.491 40 A N 0.070 122.898 122.820 0.013 0.000 2.304 40 A HA 0.965 5.288 4.320 0.006 0.000 0.271 40 A C 1.380 178.980 177.584 0.026 0.000 1.091 40 A CA 1.470 53.494 52.037 -0.022 0.000 0.812 40 A CB 0.588 19.532 19.000 -0.092 0.000 1.056 40 A HN 2.340 nan 8.150 nan 0.000 0.489 41 G N 0.443 109.259 108.800 0.027 0.000 2.464 41 G HA2 -0.145 3.818 3.960 0.006 0.000 0.216 41 G HA3 -0.145 3.818 3.960 0.006 0.000 0.216 41 G C 0.255 175.258 174.900 0.172 0.000 1.186 41 G CA 0.227 45.355 45.100 0.047 0.000 1.010 41 G HN 0.773 nan 8.290 nan 0.000 0.585 42 K N 1.136 121.661 120.400 0.208 0.000 2.374 42 K HA 0.476 4.800 4.320 0.006 0.000 0.202 42 K C 1.001 177.859 176.600 0.430 0.000 1.040 42 K CA 0.779 57.319 56.287 0.422 0.000 1.085 42 K CB 0.864 33.474 32.500 0.184 0.000 0.873 42 K HN 1.992 nan 8.250 nan 0.000 0.539 43 G N 1.151 110.095 108.800 0.240 0.000 2.760 43 G HA2 -0.341 3.622 3.960 0.006 0.000 0.246 43 G HA3 -0.341 3.622 3.960 0.006 0.000 0.246 43 G C 0.792 175.797 174.900 0.174 0.000 1.359 43 G CA -0.064 45.147 45.100 0.185 0.000 0.861 43 G HN 0.135 nan 8.290 nan 0.000 0.541 44 T N -2.314 112.326 114.554 0.145 0.000 2.746 44 T HA -0.037 4.316 4.350 0.006 0.000 0.267 44 T C 2.195 177.012 174.700 0.195 0.000 1.039 44 T CA 2.124 64.303 62.100 0.131 0.000 1.142 44 T CB -0.137 68.790 68.868 0.099 0.000 0.866 44 T HN 0.576 nan 8.240 nan 0.000 0.444 45 M N 1.634 121.405 119.600 0.284 0.000 2.652 45 M HA 0.355 4.838 4.480 0.006 0.000 0.226 45 M C 2.089 178.671 176.300 0.469 0.000 1.244 45 M CA -0.119 55.436 55.300 0.425 0.000 0.986 45 M CB 0.053 32.889 32.600 0.393 0.000 1.666 45 M HN 0.453 nan 8.290 nan 0.000 0.460 46 G N 0.412 109.363 108.800 0.252 0.000 2.462 46 G HA2 -0.201 3.763 3.960 0.006 0.000 0.220 46 G HA3 -0.201 3.763 3.960 0.006 0.000 0.220 46 G C 1.163 175.896 174.900 -0.279 0.000 1.121 46 G CA 0.747 45.798 45.100 -0.081 0.000 0.758 46 G HN 0.391 nan 8.290 nan 0.000 0.559 47 D N -0.739 119.565 120.400 -0.160 0.000 2.378 47 D HA -0.009 4.634 4.640 0.006 0.000 0.222 47 D C 1.009 177.043 176.300 -0.444 0.000 0.980 47 D CA 0.507 54.303 54.000 -0.341 0.000 0.907 47 D CB 0.085 40.633 40.800 -0.421 0.000 0.899 47 D HN 0.523 nan 8.370 nan 0.000 0.527 48 Y N -1.156 119.136 120.300 -0.013 0.000 2.444 48 Y HA 0.131 4.685 4.550 0.006 0.000 0.249 48 Y C 0.820 176.777 175.900 0.095 0.000 1.134 48 Y CA -0.509 57.616 58.100 0.042 0.000 1.261 48 Y CB 0.399 38.907 38.460 0.081 0.000 1.143 48 Y HN -0.005 nan 8.280 nan 0.000 0.523 49 W N 0.031 121.356 121.300 0.040 0.000 3.033 49 W HA 0.746 5.410 4.660 0.007 0.000 0.336 49 W C -1.459 175.030 176.519 -0.050 0.000 1.173 49 W CA -1.143 56.166 57.345 -0.059 0.000 1.185 49 W CB 1.358 30.700 29.460 -0.196 0.000 1.425 49 W HN -0.222 nan 8.180 nan 0.000 0.536 50 E N 3.042 123.335 120.200 0.155 0.000 2.238 50 E HA 0.480 4.833 4.350 0.006 0.000 0.267 50 E C -2.271 174.425 176.600 0.159 0.000 0.887 50 E CA -1.926 54.463 56.400 -0.019 0.000 0.769 50 E CB 1.958 31.627 29.700 -0.052 0.000 1.187 50 E HN 0.086 nan 8.360 nan 0.000 0.416 51 P HA 0.193 nan 4.420 nan 0.000 0.272 51 P C -0.380 176.882 177.300 -0.063 0.000 1.223 51 P CA -0.260 62.771 63.100 -0.114 0.000 0.784 51 P CB 0.716 31.865 31.700 -0.918 0.000 0.923 52 I N -2.008 118.571 120.570 0.016 0.000 2.947 52 I HA 0.611 4.784 4.170 0.006 0.000 0.314 52 I C 1.442 177.588 176.117 0.049 0.000 1.028 52 I CA -1.156 60.165 61.300 0.036 0.000 1.077 52 I CB 1.268 39.310 38.000 0.070 0.000 1.274 52 I HN 0.296 nan 8.210 nan 0.000 0.485 53 A N 2.294 125.154 122.820 0.065 0.000 1.896 53 A HA -0.256 4.067 4.320 0.006 0.000 0.220 53 A C 2.034 179.716 177.584 0.165 0.000 1.206 53 A CA 2.619 54.713 52.037 0.094 0.000 0.647 53 A CB -1.074 17.994 19.000 0.112 0.000 0.828 53 A HN 0.838 nan 8.150 nan 0.000 0.455 54 I N -0.042 120.660 120.570 0.220 0.000 2.756 54 I HA -0.128 4.045 4.170 0.006 0.000 0.262 54 I C 2.187 178.496 176.117 0.319 0.000 1.225 54 I CA 1.346 62.850 61.300 0.339 0.000 1.472 54 I CB -0.069 38.090 38.000 0.265 0.000 1.094 54 I HN 0.220 nan 8.210 nan 0.000 0.454 55 S N 0.616 116.451 115.700 0.226 0.000 2.442 55 S HA -0.116 4.357 4.470 0.006 0.000 0.236 55 S C 2.008 176.797 174.600 0.314 0.000 1.007 55 S CA 1.469 59.836 58.200 0.278 0.000 0.965 55 S CB -0.568 62.757 63.200 0.208 0.000 0.773 55 S HN 0.699 nan 8.310 nan 0.000 0.504 56 I N -1.934 118.715 120.570 0.131 0.000 2.493 56 I HA -0.143 4.031 4.170 0.006 0.000 0.254 56 I C 1.656 177.785 176.117 0.021 0.000 1.160 56 I CA 1.494 62.836 61.300 0.069 0.000 1.445 56 I CB -0.579 37.316 38.000 -0.175 0.000 1.086 56 I HN 0.167 nan 8.210 nan 0.000 0.433 57 Y N 0.437 120.906 120.300 0.281 0.000 2.397 57 Y HA 0.149 4.703 4.550 0.007 0.000 0.292 57 Y C 2.617 178.595 175.900 0.130 0.000 1.115 57 Y CA 0.522 58.737 58.100 0.192 0.000 1.208 57 Y CB -0.421 38.143 38.460 0.174 0.000 1.046 57 Y HN 0.036 nan 8.280 nan 0.000 0.552 58 M N -0.383 119.383 119.600 0.277 0.000 2.123 58 M HA -0.088 4.395 4.480 0.006 0.000 0.263 58 M C 0.074 176.368 176.300 -0.011 0.000 1.069 58 M CA 1.425 56.823 55.300 0.163 0.000 1.133 58 M CB -0.700 32.039 32.600 0.231 0.000 1.356 58 M HN 0.182 nan 8.290 nan 0.000 0.415 59 D N 0.635 121.062 120.400 0.045 0.000 2.613 59 D HA 0.194 4.837 4.640 0.006 0.000 0.312 59 D C -1.844 174.436 176.300 -0.035 0.000 1.202 59 D CA -1.787 52.123 54.000 -0.150 0.000 0.825 59 D CB 0.858 41.522 40.800 -0.226 0.000 1.113 59 D HN -0.038 nan 8.370 nan 0.000 0.502 60 P HA -0.168 nan 4.420 nan 0.000 0.218 60 P C 0.756 178.062 177.300 0.011 0.000 1.148 60 P CA 0.881 64.027 63.100 0.077 0.000 0.822 60 P CB 0.331 32.044 31.700 0.022 0.000 0.784 61 N N -0.191 118.466 118.700 -0.072 0.000 2.132 61 N HA -0.134 4.609 4.740 0.006 0.000 0.191 61 N C 1.494 176.912 175.510 -0.153 0.000 1.015 61 N CA 2.290 55.283 53.050 -0.095 0.000 0.864 61 N CB -1.366 37.039 38.487 -0.137 0.000 1.006 61 N HN 0.247 nan 8.380 nan 0.000 0.430 62 T N -1.734 112.624 114.554 -0.327 0.000 2.978 62 T HA 0.242 4.595 4.350 0.006 0.000 0.248 62 T C 0.521 174.918 174.700 -0.505 0.000 1.018 62 T CA 0.106 61.895 62.100 -0.518 0.000 1.026 62 T CB 0.154 68.505 68.868 -0.863 0.000 1.032 62 T HN 0.104 nan 8.240 nan 0.000 0.485 63 F N -0.520 119.478 119.950 0.080 0.000 2.746 63 F HA 0.451 4.979 4.527 0.003 0.000 0.313 63 F C 0.396 176.199 175.800 0.005 0.000 1.095 63 F CA -1.934 56.094 58.000 0.048 0.000 1.224 63 F CB -0.344 38.699 39.000 0.073 0.000 1.060 63 F HN 0.070 nan 8.300 nan 0.000 0.584 64 Y N 2.627 122.967 120.300 0.067 0.000 2.497 64 Y HA 0.370 4.924 4.550 0.007 0.000 0.334 64 Y C 0.104 176.010 175.900 0.010 0.000 1.199 64 Y CA -0.205 57.897 58.100 0.005 0.000 1.425 64 Y CB 0.418 38.864 38.460 -0.024 0.000 1.291 64 Y HN -0.107 nan 8.280 nan 0.000 0.562 65 K N 7.693 127.505 120.400 -0.981 0.000 2.588 65 K HA 0.369 4.692 4.320 0.006 0.000 0.250 65 K C -3.093 173.053 176.600 -0.757 0.000 0.972 65 K CA -2.296 53.661 56.287 -0.550 0.000 0.821 65 K CB 1.383 33.724 32.500 -0.264 0.000 1.249 65 K HN 0.283 nan 8.250 nan 0.000 0.442 66 P HA 0.029 nan 4.420 nan 0.000 0.260 66 P C -2.387 174.876 177.300 -0.062 0.000 1.172 66 P CA -0.692 62.380 63.100 -0.047 0.000 0.760 66 P CB -0.297 31.436 31.700 0.055 0.000 0.773 67 P HA -0.032 nan 4.420 nan 0.000 0.264 67 P C 0.990 178.349 177.300 0.099 0.000 1.229 67 P CA 0.081 63.215 63.100 0.057 0.000 0.780 67 P CB 0.665 32.448 31.700 0.139 0.000 0.808 68 V N 3.566 123.513 119.914 0.056 0.000 3.330 68 V HA -0.204 3.919 4.120 0.006 0.000 0.273 68 V C 1.965 178.104 176.094 0.075 0.000 1.179 68 V CA 1.825 64.164 62.300 0.065 0.000 1.174 68 V CB -0.957 30.886 31.823 0.033 0.000 0.794 68 V HN 0.514 nan 8.190 nan 0.000 0.527 69 S N 1.548 117.299 115.700 0.085 0.000 2.414 69 S HA -0.129 4.345 4.470 0.006 0.000 0.238 69 S C -1.134 173.496 174.600 0.051 0.000 1.055 69 S CA 1.784 60.026 58.200 0.070 0.000 1.174 69 S CB -1.372 61.881 63.200 0.089 0.000 1.087 69 S HN 0.736 nan 8.310 nan 0.000 0.428 70 P HA 0.522 nan 4.420 nan 0.000 0.304 70 P C -1.723 175.572 177.300 -0.009 0.000 1.360 70 P CA -0.561 62.522 63.100 -0.027 0.000 0.869 70 P CB 1.246 32.860 31.700 -0.144 0.000 0.988 71 K N 2.664 123.060 120.400 -0.006 0.000 2.250 71 K HA 0.474 4.798 4.320 0.006 0.000 0.280 71 K C -0.174 176.424 176.600 -0.004 0.000 1.098 71 K CA 0.000 56.297 56.287 0.017 0.000 0.916 71 K CB 0.414 32.925 32.500 0.018 0.000 1.209 71 K HN 0.370 nan 8.250 nan 0.000 0.461 72 E N 0.331 120.539 120.200 0.012 0.000 2.390 72 E HA 0.427 4.780 4.350 0.006 0.000 0.277 72 E C -1.328 175.307 176.600 0.059 0.000 0.939 72 E CA -0.856 55.547 56.400 0.005 0.000 0.769 72 E CB 2.156 31.821 29.700 -0.059 0.000 1.251 72 E HN 0.085 nan 8.360 nan 0.000 0.450 73 V N 1.454 121.393 119.914 0.043 0.000 2.326 73 V HA 0.813 4.937 4.120 0.006 0.000 0.281 73 V C -0.383 175.738 176.094 0.045 0.000 1.015 73 V CA -0.635 61.696 62.300 0.052 0.000 0.823 73 V CB 0.904 32.749 31.823 0.035 0.000 1.009 73 V HN 0.758 nan 8.190 nan 0.000 0.436 74 A N 4.305 127.162 122.820 0.063 0.000 2.322 74 A HA 0.929 5.252 4.320 0.006 0.000 0.327 74 A C -0.396 177.212 177.584 0.039 0.000 1.134 74 A CA -0.710 51.358 52.037 0.051 0.000 0.831 74 A CB 1.433 20.476 19.000 0.072 0.000 1.288 74 A HN 0.738 nan 8.150 nan 0.000 0.472 75 E N -0.511 119.705 120.200 0.027 0.000 2.299 75 E HA 0.351 4.704 4.350 0.006 0.000 0.265 75 E C 0.550 177.155 176.600 0.008 0.000 0.911 75 E CA -0.932 55.478 56.400 0.016 0.000 0.789 75 E CB 1.937 31.645 29.700 0.013 0.000 1.246 75 E HN 0.704 nan 8.360 nan 0.000 0.427 76 R N 1.772 122.270 120.500 -0.003 0.000 2.224 76 R HA -0.304 4.039 4.340 0.006 0.000 0.255 76 R C 1.945 178.232 176.300 -0.020 0.000 1.130 76 R CA 2.754 58.842 56.100 -0.019 0.000 0.957 76 R CB -0.181 30.114 30.300 -0.009 0.000 0.907 76 R HN 0.454 nan 8.270 nan 0.000 0.446 77 K N -0.483 119.920 120.400 0.004 0.000 2.057 77 K HA -0.140 4.183 4.320 0.006 0.000 0.206 77 K C 1.388 177.997 176.600 0.015 0.000 1.050 77 K CA 1.759 58.055 56.287 0.016 0.000 0.935 77 K CB -0.325 32.190 32.500 0.026 0.000 0.715 77 K HN 0.322 nan 8.250 nan 0.000 0.439 78 D N 1.449 121.859 120.400 0.017 0.000 2.178 78 D HA -0.074 4.569 4.640 0.006 0.000 0.202 78 D C 2.149 178.477 176.300 0.045 0.000 0.974 78 D CA 1.054 55.070 54.000 0.026 0.000 0.841 78 D CB -0.286 40.529 40.800 0.025 0.000 0.953 78 D HN 0.269 nan 8.370 nan 0.000 0.478 79 C N 0.585 119.903 119.300 0.029 0.000 2.413 79 C HA -0.105 4.359 4.460 0.006 0.000 0.276 79 C C 2.984 177.993 174.990 0.032 0.000 1.236 79 C CA 0.259 59.299 59.018 0.037 0.000 1.735 79 C CB -1.020 26.670 27.740 -0.082 0.000 2.031 79 C HN 0.171 nan 8.230 nan 0.000 0.474 80 V N 0.535 120.418 119.914 -0.052 0.000 2.379 80 V HA -0.175 3.949 4.120 0.006 0.000 0.245 80 V C 2.437 178.562 176.094 0.051 0.000 1.044 80 V CA 1.968 64.241 62.300 -0.045 0.000 1.036 80 V CB -0.808 30.972 31.823 -0.072 0.000 0.664 80 V HN 0.586 nan 8.190 nan 0.000 0.453 81 E N -0.491 119.736 120.200 0.045 0.000 2.038 81 E HA -0.312 4.041 4.350 0.006 0.000 0.195 81 E C 2.328 178.951 176.600 0.038 0.000 1.000 81 E CA 2.128 58.554 56.400 0.045 0.000 0.803 81 E CB -0.251 29.468 29.700 0.031 0.000 0.750 81 E HN 0.629 nan 8.360 nan 0.000 0.448 82 C N 0.575 119.895 119.300 0.033 0.000 2.466 82 C HA -0.047 4.417 4.460 0.006 0.000 0.278 82 C C 2.554 177.509 174.990 -0.059 0.000 1.288 82 C CA 0.574 59.578 59.018 -0.024 0.000 1.722 82 C CB -1.205 26.497 27.740 -0.063 0.000 2.017 82 C HN 0.508 nan 8.230 nan 0.000 0.488 83 H N 0.331 119.395 119.070 -0.009 0.000 2.543 83 H HA -0.062 4.496 4.556 0.004 0.000 0.286 83 H C 2.343 177.685 175.328 0.023 0.000 1.037 83 H CA 1.412 57.464 56.048 0.007 0.000 1.250 83 H CB -0.019 29.745 29.762 0.003 0.000 1.373 83 H HN 0.512 nan 8.280 nan 0.000 0.580 84 S N 0.030 115.788 115.700 0.096 0.000 2.474 84 S HA -0.088 4.385 4.470 0.006 0.000 0.235 84 S C 1.383 176.004 174.600 0.034 0.000 0.997 84 S CA 0.877 59.125 58.200 0.079 0.000 0.949 84 S CB 0.173 63.417 63.200 0.074 0.000 0.766 84 S HN 0.479 nan 8.310 nan 0.000 0.517 85 D N 0.221 120.618 120.400 -0.004 0.000 2.394 85 D HA 0.068 4.711 4.640 0.006 0.000 0.226 85 D C 1.919 178.187 176.300 -0.054 0.000 0.990 85 D CA 0.435 54.418 54.000 -0.028 0.000 0.902 85 D CB 0.058 40.835 40.800 -0.039 0.000 1.038 85 D HN 0.191 nan 8.370 nan 0.000 0.499 86 E N 0.594 120.734 120.200 -0.099 0.000 2.016 86 E HA -0.038 4.316 4.350 0.006 0.000 0.190 86 E C 1.050 177.607 176.600 -0.071 0.000 0.985 86 E CA 1.052 57.375 56.400 -0.129 0.000 0.802 86 E CB -0.162 29.364 29.700 -0.289 0.000 0.762 86 E HN 0.248 nan 8.360 nan 0.000 0.448 87 T N -1.049 113.502 114.554 -0.005 0.000 3.401 87 T HA 0.356 4.709 4.350 0.006 0.000 0.341 87 T C -2.493 172.235 174.700 0.047 0.000 1.674 87 T CA -1.884 60.210 62.100 -0.010 0.000 1.600 87 T CB 1.560 70.477 68.868 0.083 0.000 0.974 87 T HN -0.262 nan 8.240 nan 0.000 0.672 88 P HA -0.178 nan 4.420 nan 0.000 0.213 88 P C 1.823 179.181 177.300 0.097 0.000 1.176 88 P CA 0.821 63.951 63.100 0.049 0.000 0.919 88 P CB 0.009 31.714 31.700 0.008 0.000 0.791 89 V N -1.956 117.979 119.914 0.036 0.000 2.546 89 V HA -0.239 3.885 4.120 0.006 0.000 0.254 89 V C 2.230 178.541 176.094 0.361 0.000 1.076 89 V CA 1.545 63.910 62.300 0.107 0.000 1.087 89 V CB -1.425 30.383 31.823 -0.025 0.000 0.674 89 V HN 0.266 nan 8.190 nan 0.000 0.470 90 W N -0.408 120.936 121.300 0.073 0.000 2.358 90 W HA -0.160 4.503 4.660 0.004 0.000 0.303 90 W C 2.330 178.882 176.519 0.056 0.000 1.208 90 W CA 0.725 58.089 57.345 0.031 0.000 1.274 90 W CB -0.090 29.319 29.460 -0.085 0.000 1.138 90 W HN 0.112 nan 8.180 nan 0.000 0.515 91 V N 0.604 120.724 119.914 0.344 0.000 2.270 91 V HA -0.283 3.840 4.120 0.006 0.000 0.245 91 V C 2.150 178.470 176.094 0.377 0.000 1.043 91 V CA 1.754 64.247 62.300 0.322 0.000 1.014 91 V CB -0.954 31.015 31.823 0.243 0.000 0.645 91 V HN 0.149 nan 8.190 nan 0.000 0.447 92 R N 0.713 121.377 120.500 0.274 0.000 2.112 92 R HA -0.226 4.117 4.340 0.006 0.000 0.242 92 R C 2.458 178.883 176.300 0.207 0.000 1.137 92 R CA 1.798 58.022 56.100 0.207 0.000 0.944 92 R CB -0.892 29.502 30.300 0.156 0.000 0.857 92 R HN 0.529 nan 8.270 nan 0.000 0.435 93 A N 0.530 123.508 122.820 0.263 0.000 1.940 93 A HA -0.215 4.109 4.320 0.006 0.000 0.219 93 A C 1.942 179.663 177.584 0.227 0.000 1.176 93 A CA 1.440 53.618 52.037 0.235 0.000 0.631 93 A CB -0.846 18.341 19.000 0.311 0.000 0.814 93 A HN 0.664 nan 8.150 nan 0.000 0.446 94 W N 0.766 122.141 121.300 0.126 0.000 2.381 94 W HA -0.099 4.567 4.660 0.008 0.000 0.301 94 W C 1.985 178.562 176.519 0.098 0.000 1.205 94 W CA 1.848 59.264 57.345 0.119 0.000 1.285 94 W CB -0.071 29.436 29.460 0.079 0.000 1.133 94 W HN 0.224 nan 8.180 nan 0.000 0.521 95 K N -0.074 120.291 120.400 -0.059 0.000 2.103 95 K HA -0.191 4.132 4.320 0.006 0.000 0.207 95 K C 1.915 178.365 176.600 -0.250 0.000 1.048 95 K CA 1.358 57.474 56.287 -0.285 0.000 0.930 95 K CB -0.250 32.248 32.500 -0.003 0.000 0.716 95 K HN -0.129 nan 8.250 nan 0.000 0.444 96 R N 1.139 121.573 120.500 -0.108 0.000 2.323 96 R HA 0.023 4.367 4.340 0.006 0.000 0.198 96 R C 0.314 176.549 176.300 -0.109 0.000 0.988 96 R CA 0.167 56.219 56.100 -0.080 0.000 1.041 96 R CB -0.101 30.192 30.300 -0.011 0.000 0.926 96 R HN 0.165 nan 8.270 nan 0.000 0.476 97 S N -2.305 113.290 115.700 -0.175 0.000 2.616 97 S HA 0.137 4.610 4.470 0.006 0.000 0.277 97 S C 0.983 175.467 174.600 -0.193 0.000 1.234 97 S CA -0.573 57.535 58.200 -0.153 0.000 1.028 97 S CB 1.799 64.957 63.200 -0.071 0.000 0.988 97 S HN 0.097 nan 8.310 nan 0.000 0.522 98 T N 1.525 115.978 114.554 -0.168 0.000 2.881 98 T HA -0.102 4.251 4.350 0.006 0.000 0.270 98 T C 1.299 175.953 174.700 -0.077 0.000 1.068 98 T CA 1.813 63.829 62.100 -0.140 0.000 1.131 98 T CB -0.684 68.095 68.868 -0.148 0.000 0.871 98 T HN 0.807 nan 8.240 nan 0.000 0.479 99 H N 0.381 119.399 119.070 -0.087 0.000 2.421 99 H HA 0.089 4.648 4.556 0.006 0.000 0.298 99 H C 2.168 177.427 175.328 -0.115 0.000 1.087 99 H CA 0.795 56.814 56.048 -0.049 0.000 1.330 99 H CB 0.081 29.880 29.762 0.061 0.000 1.388 99 H HN 0.362 nan 8.280 nan 0.000 0.526 100 A N -0.126 122.557 122.820 -0.227 0.000 2.345 100 A HA 0.073 4.397 4.320 0.006 0.000 0.225 100 A C 0.562 177.989 177.584 -0.263 0.000 1.243 100 A CA -0.056 51.711 52.037 -0.451 0.000 0.875 100 A CB 0.329 18.571 19.000 -1.264 0.000 0.929 100 A HN 0.367 nan 8.150 nan 0.000 0.502 101 N N 0.708 119.313 118.700 -0.158 0.000 2.646 101 N HA 0.145 4.889 4.740 0.006 0.000 0.303 101 N C 0.065 175.533 175.510 -0.070 0.000 1.921 101 N CA -0.279 52.705 53.050 -0.111 0.000 0.872 101 N CB 0.944 39.360 38.487 -0.119 0.000 1.327 101 N HN 0.088 nan 8.380 nan 0.000 0.492 102 L N 0.468 121.663 121.223 -0.048 0.000 2.131 102 L HA -0.112 4.232 4.340 0.006 0.000 0.210 102 L C 1.698 178.544 176.870 -0.039 0.000 1.092 102 L CA 1.627 56.444 54.840 -0.038 0.000 0.759 102 L CB -0.730 41.314 42.059 -0.025 0.000 0.903 102 L HN 0.179 nan 8.230 nan 0.000 0.435 103 D N 0.121 120.501 120.400 -0.035 0.000 2.133 103 D HA -0.240 4.404 4.640 0.006 0.000 0.195 103 D C 2.208 178.491 176.300 -0.028 0.000 0.997 103 D CA 1.176 55.160 54.000 -0.027 0.000 0.840 103 D CB 0.074 40.860 40.800 -0.023 0.000 0.947 103 D HN 0.280 nan 8.370 nan 0.000 0.452 104 K N 0.132 120.509 120.400 -0.037 0.000 2.147 104 K HA -0.118 4.205 4.320 0.006 0.000 0.205 104 K C 1.881 178.459 176.600 -0.037 0.000 1.049 104 K CA 0.719 56.984 56.287 -0.036 0.000 0.936 104 K CB 0.121 32.593 32.500 -0.047 0.000 0.722 104 K HN 0.024 nan 8.250 nan 0.000 0.446 105 I N 1.076 121.615 120.570 -0.051 0.000 2.193 105 I HA -0.164 4.009 4.170 0.006 0.000 0.240 105 I C 2.212 178.301 176.117 -0.047 0.000 1.084 105 I CA 1.270 62.528 61.300 -0.069 0.000 1.365 105 I CB -1.150 36.795 38.000 -0.092 0.000 1.064 105 I HN 0.184 nan 8.210 nan 0.000 0.410 106 R N 1.089 121.568 120.500 -0.035 0.000 2.105 106 R HA -0.121 4.222 4.340 0.006 0.000 0.239 106 R C 1.036 177.346 176.300 0.017 0.000 1.135 106 R CA 1.197 57.288 56.100 -0.016 0.000 0.967 106 R CB -0.296 29.995 30.300 -0.016 0.000 0.861 106 R HN 0.422 nan 8.270 nan 0.000 0.442 107 N N 0.921 119.628 118.700 0.012 0.000 2.375 107 N HA 0.060 4.803 4.740 0.006 0.000 0.220 107 N C -0.370 175.164 175.510 0.040 0.000 1.170 107 N CA 0.272 53.336 53.050 0.023 0.000 0.833 107 N CB 0.185 38.675 38.487 0.007 0.000 1.069 107 N HN 0.155 nan 8.380 nan 0.000 0.479 108 L N 0.869 122.138 121.223 0.077 0.000 2.367 108 L HA 0.126 4.470 4.340 0.006 0.000 0.275 108 L C 0.855 177.802 176.870 0.127 0.000 1.129 108 L CA -0.448 54.462 54.840 0.118 0.000 0.839 108 L CB 0.632 42.794 42.059 0.173 0.000 1.133 108 L HN -0.147 nan 8.230 nan 0.000 0.453 109 K N 1.263 121.677 120.400 0.023 0.000 2.295 109 K HA 0.041 4.364 4.320 0.006 0.000 0.270 109 K C 1.090 177.512 176.600 -0.295 0.000 1.011 109 K CA 0.296 56.529 56.287 -0.091 0.000 0.953 109 K CB 1.099 33.556 32.500 -0.072 0.000 0.956 109 K HN 0.578 nan 8.250 nan 0.000 0.477 110 S N 1.348 116.725 115.700 -0.538 0.000 2.507 110 S HA -0.134 4.340 4.470 0.006 0.000 0.235 110 S C 0.864 175.154 174.600 -0.517 0.000 0.988 110 S CA 1.056 58.657 58.200 -0.999 0.000 0.944 110 S CB -0.327 62.439 63.200 -0.724 0.000 0.762 110 S HN 0.797 nan 8.310 nan 0.000 0.526 111 D N 0.856 121.104 120.400 -0.254 0.000 2.369 111 D HA 0.070 4.713 4.640 0.006 0.000 0.211 111 D C -0.183 176.086 176.300 -0.051 0.000 1.077 111 D CA -0.311 53.616 54.000 -0.122 0.000 0.842 111 D CB -0.420 40.328 40.800 -0.087 0.000 0.947 111 D HN 0.403 nan 8.370 nan 0.000 0.509 112 D N 1.725 122.104 120.400 -0.035 0.000 2.304 112 D HA 0.077 4.720 4.640 0.006 0.000 0.250 112 D C -1.078 175.280 176.300 0.096 0.000 1.107 112 D CA -1.737 52.283 54.000 0.033 0.000 0.885 112 D CB 1.779 42.607 40.800 0.046 0.000 1.192 112 D HN -0.191 nan 8.370 nan 0.000 0.436 113 P HA -0.156 nan 4.420 nan 0.000 0.218 113 P C 0.878 178.302 177.300 0.207 0.000 1.148 113 P CA 0.677 63.849 63.100 0.120 0.000 0.822 113 P CB 0.216 31.962 31.700 0.078 0.000 0.784 114 L N -1.602 119.705 121.223 0.140 0.000 2.682 114 L HA 0.072 4.415 4.340 0.006 0.000 0.240 114 L C 2.052 178.870 176.870 -0.087 0.000 1.178 114 L CA 0.207 55.062 54.840 0.025 0.000 0.970 114 L CB -1.894 40.138 42.059 -0.046 0.000 1.179 114 L HN -0.112 nan 8.230 nan 0.000 0.435 115 Y N 0.060 120.344 120.300 -0.027 0.000 2.352 115 Y HA -0.313 4.240 4.550 0.006 0.000 0.292 115 Y C 2.413 178.278 175.900 -0.058 0.000 1.136 115 Y CA 1.373 59.448 58.100 -0.042 0.000 1.227 115 Y CB -0.424 38.043 38.460 0.012 0.000 0.991 115 Y HN 0.503 nan 8.280 nan 0.000 0.545 116 Y N -0.562 119.646 120.300 -0.153 0.000 2.315 116 Y HA -0.173 4.380 4.550 0.005 0.000 0.288 116 Y C 1.897 177.671 175.900 -0.210 0.000 1.154 116 Y CA 1.389 59.369 58.100 -0.199 0.000 1.229 116 Y CB -1.106 37.300 38.460 -0.090 0.000 0.980 116 Y HN -0.048 nan 8.280 nan 0.000 0.540 117 K N 0.888 120.792 120.400 -0.826 0.000 2.152 117 K HA -0.190 4.134 4.320 0.006 0.000 0.206 117 K C 2.132 178.542 176.600 -0.317 0.000 1.048 117 K CA 1.671 57.623 56.287 -0.558 0.000 0.933 117 K CB -0.210 31.950 32.500 -0.567 0.000 0.721 117 K HN 0.388 nan 8.250 nan 0.000 0.447 118 K N 0.712 120.892 120.400 -0.368 0.000 2.097 118 K HA -0.133 4.191 4.320 0.006 0.000 0.206 118 K C 2.194 178.654 176.600 -0.233 0.000 1.049 118 K CA 1.501 57.616 56.287 -0.285 0.000 0.933 118 K CB -0.209 32.074 32.500 -0.363 0.000 0.717 118 K HN 0.254 nan 8.250 nan 0.000 0.442 119 G N 1.334 109.969 108.800 -0.275 0.000 2.418 119 G HA2 -0.236 3.727 3.960 0.006 0.000 0.217 119 G HA3 -0.236 3.727 3.960 0.006 0.000 0.217 119 G C 1.253 176.103 174.900 -0.082 0.000 1.158 119 G CA 0.690 45.697 45.100 -0.156 0.000 0.771 119 G HN 0.293 nan 8.290 nan 0.000 0.545 120 K N -0.264 120.096 120.400 -0.066 0.000 2.097 120 K HA -0.017 4.306 4.320 0.006 0.000 0.206 120 K C 2.348 178.936 176.600 -0.021 0.000 1.049 120 K CA 0.953 57.232 56.287 -0.012 0.000 0.933 120 K CB -0.288 32.224 32.500 0.021 0.000 0.717 120 K HN 0.301 nan 8.250 nan 0.000 0.442 121 L N 2.099 123.288 121.223 -0.056 0.000 1.994 121 L HA -0.170 4.174 4.340 0.006 0.000 0.208 121 L C 1.818 178.655 176.870 -0.055 0.000 1.071 121 L CA 1.844 56.652 54.840 -0.053 0.000 0.745 121 L CB -0.474 41.545 42.059 -0.068 0.000 0.892 121 L HN 0.114 nan 8.230 nan 0.000 0.431 122 E N -0.505 119.661 120.200 -0.057 0.000 2.118 122 E HA -0.295 4.058 4.350 0.006 0.000 0.195 122 E C 2.090 178.665 176.600 -0.041 0.000 0.992 122 E CA 1.464 57.835 56.400 -0.048 0.000 0.804 122 E CB -0.164 29.508 29.700 -0.046 0.000 0.741 122 E HN 0.683 nan 8.360 nan 0.000 0.458 123 E N 0.496 120.675 120.200 -0.034 0.000 2.077 123 E HA -0.178 4.176 4.350 0.006 0.000 0.193 123 E C 2.102 178.679 176.600 -0.037 0.000 0.989 123 E CA 1.077 57.463 56.400 -0.023 0.000 0.800 123 E CB 0.179 29.876 29.700 -0.005 0.000 0.746 123 E HN 0.054 nan 8.360 nan 0.000 0.452 124 V N 1.354 121.237 119.914 -0.051 0.000 2.295 124 V HA -0.263 3.860 4.120 0.006 0.000 0.246 124 V C 2.120 178.151 176.094 -0.104 0.000 1.049 124 V CA 2.250 64.490 62.300 -0.099 0.000 1.024 124 V CB -0.530 31.209 31.823 -0.140 0.000 0.648 124 V HN 0.306 nan 8.190 nan 0.000 0.447 125 E N 0.052 120.202 120.200 -0.083 0.000 2.085 125 E HA -0.255 4.098 4.350 0.006 0.000 0.194 125 E C 2.182 178.742 176.600 -0.067 0.000 0.994 125 E CA 1.322 57.676 56.400 -0.076 0.000 0.801 125 E CB -0.278 29.386 29.700 -0.059 0.000 0.743 125 E HN 0.532 nan 8.360 nan 0.000 0.453 126 N N 1.399 120.066 118.700 -0.055 0.000 2.025 126 N HA -0.201 4.543 4.740 0.006 0.000 0.194 126 N C 1.308 176.787 175.510 -0.052 0.000 1.044 126 N CA 1.883 54.907 53.050 -0.043 0.000 0.851 126 N CB -0.400 38.068 38.487 -0.031 0.000 1.036 126 N HN 0.179 nan 8.380 nan 0.000 0.422 127 N N 0.081 118.745 118.700 -0.060 0.000 2.036 127 N HA -0.131 4.612 4.740 0.006 0.000 0.195 127 N C 1.893 177.339 175.510 -0.108 0.000 1.037 127 N CA 1.326 54.331 53.050 -0.075 0.000 0.855 127 N CB -0.228 38.206 38.487 -0.087 0.000 1.033 127 N HN 0.209 nan 8.380 nan 0.000 0.423 128 L N 0.790 121.938 121.223 -0.125 0.000 2.127 128 L HA -0.167 4.176 4.340 0.006 0.000 0.211 128 L C 2.398 179.207 176.870 -0.102 0.000 1.089 128 L CA 1.155 55.914 54.840 -0.136 0.000 0.757 128 L CB -0.343 41.636 42.059 -0.134 0.000 0.899 128 L HN 0.211 nan 8.230 nan 0.000 0.434 129 R N -0.938 119.515 120.500 -0.077 0.000 2.081 129 R HA -0.149 4.194 4.340 0.006 0.000 0.235 129 R C 2.602 178.870 176.300 -0.053 0.000 1.131 129 R CA 1.534 57.599 56.100 -0.057 0.000 0.960 129 R CB -0.485 29.789 30.300 -0.044 0.000 0.856 129 R HN 0.185 nan 8.270 nan 0.000 0.436 130 S N 0.707 116.375 115.700 -0.053 0.000 2.356 130 S HA -0.096 4.378 4.470 0.006 0.000 0.223 130 S C 1.763 176.331 174.600 -0.053 0.000 1.032 130 S CA 1.231 59.406 58.200 -0.041 0.000 1.005 130 S CB -0.006 63.176 63.200 -0.030 0.000 0.867 130 S HN 0.187 nan 8.310 nan 0.000 0.449 131 M N 0.735 120.281 119.600 -0.090 0.000 2.686 131 M HA 0.116 4.599 4.480 0.006 0.000 0.246 131 M C 1.075 177.324 176.300 -0.086 0.000 1.096 131 M CA 0.617 55.850 55.300 -0.111 0.000 1.076 131 M CB -0.205 32.267 32.600 -0.213 0.000 1.504 131 M HN 0.464 nan 8.290 nan 0.000 0.524 132 G N 1.512 110.271 108.800 -0.067 0.000 2.295 132 G HA2 -0.287 3.676 3.960 0.006 0.000 0.287 132 G HA3 -0.287 3.676 3.960 0.006 0.000 0.287 132 G C 0.387 175.251 174.900 -0.061 0.000 1.055 132 G CA 0.451 45.519 45.100 -0.053 0.000 0.922 132 G HN 0.549 nan 8.290 nan 0.000 0.503 133 K N -1.451 118.903 120.400 -0.077 0.000 2.483 133 K HA 0.483 4.806 4.320 0.006 0.000 0.206 133 K C -0.142 176.414 176.600 -0.073 0.000 1.086 133 K CA -0.334 55.905 56.287 -0.080 0.000 1.052 133 K CB 1.030 33.465 32.500 -0.108 0.000 0.904 133 K HN 0.294 nan 8.250 nan 0.000 0.557 134 L N -0.024 121.160 121.223 -0.064 0.000 2.493 134 L HA 0.479 4.822 4.340 0.006 0.000 0.265 134 L C -0.536 176.308 176.870 -0.044 0.000 0.954 134 L CA -0.504 54.302 54.840 -0.056 0.000 0.844 134 L CB 1.676 43.696 42.059 -0.065 0.000 1.302 134 L HN 0.086 nan 8.230 nan 0.000 0.405 135 G N 2.105 110.884 108.800 -0.036 0.000 2.353 135 G HA2 0.121 4.084 3.960 0.006 0.000 0.239 135 G HA3 0.121 4.084 3.960 0.006 0.000 0.239 135 G C 0.592 175.475 174.900 -0.028 0.000 1.295 135 G CA 0.304 45.387 45.100 -0.028 0.000 0.884 135 G HN 0.899 nan 8.290 nan 0.000 0.537 136 E N 1.200 121.386 120.200 -0.025 0.000 2.169 136 E HA -0.212 4.142 4.350 0.006 0.000 0.202 136 E C 1.961 178.548 176.600 -0.021 0.000 1.016 136 E CA 1.745 58.132 56.400 -0.023 0.000 0.817 136 E CB 0.150 29.840 29.700 -0.018 0.000 0.736 136 E HN 0.532 nan 8.360 nan 0.000 0.462 137 K N 0.150 120.539 120.400 -0.019 0.000 2.355 137 K HA 0.100 4.424 4.320 0.006 0.000 0.198 137 K C 0.258 176.847 176.600 -0.019 0.000 1.039 137 K CA -0.094 56.182 56.287 -0.017 0.000 1.075 137 K CB 0.470 32.962 32.500 -0.014 0.000 0.870 137 K HN 0.238 nan 8.250 nan 0.000 0.540 138 E N 2.391 122.578 120.200 -0.022 0.000 2.398 138 E HA -0.003 4.351 4.350 0.006 0.000 0.263 138 E C -0.591 175.993 176.600 -0.027 0.000 1.046 138 E CA 0.165 56.551 56.400 -0.023 0.000 0.908 138 E CB 0.679 30.364 29.700 -0.025 0.000 0.963 138 E HN 0.050 nan 8.360 nan 0.000 0.431 139 T N 1.652 116.191 114.554 -0.025 0.000 2.925 139 T HA 0.318 4.671 4.350 0.006 0.000 0.285 139 T C -0.061 174.621 174.700 -0.031 0.000 1.021 139 T CA -1.026 61.056 62.100 -0.028 0.000 1.042 139 T CB 1.093 69.948 68.868 -0.023 0.000 1.037 139 T HN 0.351 nan 8.240 nan 0.000 0.481 140 L N 2.457 123.657 121.223 -0.039 0.000 2.565 140 L HA 0.282 4.626 4.340 0.006 0.000 0.275 140 L C 1.514 178.368 176.870 -0.026 0.000 1.137 140 L CA 0.022 54.837 54.840 -0.042 0.000 0.915 140 L CB 0.101 42.126 42.059 -0.057 0.000 1.232 140 L HN 0.846 nan 8.230 nan 0.000 0.473 141 K N 4.341 124.731 120.400 -0.018 0.000 2.009 141 K HA -0.104 4.219 4.320 0.006 0.000 0.210 141 K C 0.076 176.684 176.600 0.014 0.000 1.049 141 K CA 2.089 58.376 56.287 -0.000 0.000 0.929 141 K CB 0.160 32.664 32.500 0.006 0.000 0.714 141 K HN 0.854 nan 8.250 nan 0.000 0.440 142 E N -3.424 116.789 120.200 0.021 0.000 2.429 142 E HA 0.305 4.659 4.350 0.006 0.000 0.277 142 E C -1.483 175.146 176.600 0.048 0.000 1.130 142 E CA -0.990 55.444 56.400 0.057 0.000 0.875 142 E CB 0.981 30.759 29.700 0.131 0.000 1.443 142 E HN -0.216 nan 8.360 nan 0.000 0.444 143 V N 1.310 121.287 119.914 0.105 0.000 2.276 143 V HA 0.608 4.732 4.120 0.006 0.000 0.268 143 V C 0.287 176.552 176.094 0.285 0.000 1.032 143 V CA 0.125 62.441 62.300 0.028 0.000 0.810 143 V CB 0.415 32.109 31.823 -0.215 0.000 1.060 143 V HN 0.739 nan 8.190 nan 0.000 0.446 144 G N 0.872 109.782 108.800 0.183 0.000 2.568 144 G HA2 0.358 4.321 3.960 0.006 0.000 0.293 144 G HA3 0.358 4.321 3.960 0.006 0.000 0.293 144 G C 1.166 175.927 174.900 -0.232 0.000 1.347 144 G CA 0.124 45.243 45.100 0.032 0.000 1.039 144 G HN 0.619 nan 8.290 nan 0.000 0.523 145 C N -0.803 118.211 119.300 -0.477 0.000 2.398 145 C HA -0.123 4.340 4.460 0.006 0.000 0.276 145 C C 2.692 177.619 174.990 -0.105 0.000 1.222 145 C CA 0.623 59.475 59.018 -0.277 0.000 1.746 145 C CB -1.280 26.244 27.740 -0.360 0.000 2.039 145 C HN 0.601 nan 8.230 nan 0.000 0.470 146 I N 1.287 121.786 120.570 -0.118 0.000 2.530 146 I HA -0.201 3.972 4.170 0.006 0.000 0.257 146 I C 1.836 177.906 176.117 -0.078 0.000 1.179 146 I CA 1.637 62.898 61.300 -0.066 0.000 1.440 146 I CB -0.315 37.653 38.000 -0.054 0.000 1.087 146 I HN 0.355 nan 8.210 nan 0.000 0.440 147 D N -0.086 120.249 120.400 -0.108 0.000 2.137 147 D HA -0.115 4.528 4.640 0.006 0.000 0.202 147 D C 2.209 178.400 176.300 -0.181 0.000 0.970 147 D CA 1.205 55.126 54.000 -0.132 0.000 0.837 147 D CB -0.254 40.464 40.800 -0.136 0.000 0.981 147 D HN 0.398 nan 8.370 nan 0.000 0.475 148 C N 0.004 119.162 119.300 -0.236 0.000 2.507 148 C HA 0.027 4.490 4.460 0.006 0.000 0.280 148 C C 2.159 176.903 174.990 -0.409 0.000 1.345 148 C CA 0.134 58.940 59.018 -0.354 0.000 1.736 148 C CB -0.716 26.751 27.740 -0.455 0.000 2.060 148 C HN 0.424 nan 8.230 nan 0.000 0.498 149 H N -0.583 118.411 119.070 -0.128 0.000 2.553 149 H HA 0.240 4.798 4.556 0.005 0.000 0.265 149 H C 1.481 176.749 175.328 -0.099 0.000 0.964 149 H CA 0.862 56.838 56.048 -0.121 0.000 1.156 149 H CB 0.557 30.239 29.762 -0.134 0.000 1.411 149 H HN 0.352 nan 8.280 nan 0.000 0.558 150 V N -0.948 118.957 119.914 -0.015 0.000 4.178 150 V HA 0.125 4.248 4.120 0.006 0.000 0.173 150 V C -0.356 175.713 176.094 -0.042 0.000 1.265 150 V CA -0.004 62.286 62.300 -0.016 0.000 1.269 150 V CB 1.357 33.175 31.823 -0.008 0.000 1.466 150 V HN 0.089 nan 8.190 nan 0.000 0.573 151 D N -0.350 120.015 120.400 -0.058 0.000 2.886 151 D HA 0.332 4.976 4.640 0.006 0.000 0.216 151 D C -1.009 175.238 176.300 -0.089 0.000 1.256 151 D CA -0.112 53.846 54.000 -0.070 0.000 0.844 151 D CB 2.740 43.510 40.800 -0.049 0.000 1.669 151 D HN -0.013 nan 8.370 nan 0.000 0.513 152 V N 4.097 123.943 119.914 -0.114 0.000 2.617 152 V HA 0.037 4.160 4.120 0.006 0.000 0.304 152 V C 1.246 177.279 176.094 -0.103 0.000 1.040 152 V CA 0.513 62.734 62.300 -0.132 0.000 1.149 152 V CB 0.428 32.151 31.823 -0.168 0.000 0.914 152 V HN 0.873 nan 8.190 nan 0.000 0.487 153 N N 1.853 120.498 118.700 -0.092 0.000 2.776 153 N HA -0.193 4.551 4.740 0.006 0.000 0.249 153 N C 0.025 175.504 175.510 -0.052 0.000 1.111 153 N CA 1.102 54.111 53.050 -0.068 0.000 0.711 153 N CB -0.955 37.488 38.487 -0.073 0.000 1.065 153 N HN 0.778 nan 8.380 nan 0.000 0.556 154 K N 1.117 121.487 120.400 -0.050 0.000 2.436 154 K HA 0.083 4.407 4.320 0.006 0.000 0.282 154 K C 1.017 177.602 176.600 -0.024 0.000 1.044 154 K CA 0.492 56.758 56.287 -0.036 0.000 1.028 154 K CB 0.437 32.916 32.500 -0.035 0.000 0.919 154 K HN 0.296 nan 8.250 nan 0.000 0.474 155 K N 2.111 122.500 120.400 -0.019 0.000 2.244 155 K HA 0.011 4.334 4.320 0.006 0.000 0.200 155 K C 0.157 176.753 176.600 -0.006 0.000 1.052 155 K CA 0.502 56.781 56.287 -0.012 0.000 0.980 155 K CB 0.148 32.640 32.500 -0.013 0.000 0.838 155 K HN 0.810 nan 8.250 nan 0.000 0.481 156 D N 1.810 122.207 120.400 -0.006 0.000 2.432 156 D HA 0.044 4.687 4.640 0.006 0.000 0.258 156 D C -0.215 176.087 176.300 0.003 0.000 1.146 156 D CA -0.490 53.509 54.000 -0.000 0.000 1.015 156 D CB 0.717 41.517 40.800 0.000 0.000 1.107 156 D HN -0.037 nan 8.370 nan 0.000 0.529 157 K N -0.886 119.518 120.400 0.008 0.000 2.159 157 K HA 0.503 4.826 4.320 0.006 0.000 0.242 157 K C -0.425 176.186 176.600 0.018 0.000 1.043 157 K CA -0.827 55.469 56.287 0.015 0.000 0.856 157 K CB 0.182 32.693 32.500 0.018 0.000 1.072 157 K HN 0.545 nan 8.250 nan 0.000 0.514 158 A N 0.425 123.263 122.820 0.030 0.000 2.549 158 A HA 0.285 4.608 4.320 0.006 0.000 0.297 158 A C -1.873 175.747 177.584 0.059 0.000 1.061 158 A CA -0.807 51.252 52.037 0.037 0.000 0.690 158 A CB 1.784 20.803 19.000 0.032 0.000 1.287 158 A HN 0.780 nan 8.150 nan 0.000 0.402 159 D N -0.041 120.394 120.400 0.059 0.000 2.317 159 D HA 0.234 4.878 4.640 0.006 0.000 0.234 159 D C 1.023 177.390 176.300 0.110 0.000 1.112 159 D CA 0.042 54.090 54.000 0.081 0.000 0.840 159 D CB 0.408 41.243 40.800 0.058 0.000 1.078 159 D HN 0.587 nan 8.370 nan 0.000 0.486 160 H N 2.500 121.596 119.070 0.042 0.000 2.460 160 H HA -0.132 4.425 4.556 0.003 0.000 0.297 160 H C 1.042 176.409 175.328 0.065 0.000 1.103 160 H CA 1.833 57.916 56.048 0.058 0.000 1.292 160 H CB 0.526 30.323 29.762 0.058 0.000 1.376 160 H HN 0.518 nan 8.280 nan 0.000 0.531 161 T N -2.237 112.406 114.554 0.148 0.000 3.086 161 T HA 0.078 4.431 4.350 0.006 0.000 0.250 161 T C 1.306 176.035 174.700 0.049 0.000 1.074 161 T CA 0.305 62.462 62.100 0.094 0.000 0.988 161 T CB 0.110 69.033 68.868 0.091 0.000 0.988 161 T HN 0.551 nan 8.240 nan 0.000 0.530 162 K N -0.878 119.549 120.400 0.044 0.000 2.618 162 K HA 0.241 4.564 4.320 0.006 0.000 0.205 162 K C -0.023 176.600 176.600 0.038 0.000 1.445 162 K CA -0.245 56.063 56.287 0.035 0.000 1.034 162 K CB 0.602 33.120 32.500 0.031 0.000 1.209 162 K HN 0.006 nan 8.250 nan 0.000 0.627 163 D N 0.771 121.191 120.400 0.035 0.000 2.474 163 D HA 0.159 4.803 4.640 0.006 0.000 0.213 163 D C 0.154 176.473 176.300 0.031 0.000 1.120 163 D CA -0.150 53.869 54.000 0.031 0.000 0.836 163 D CB 0.925 41.739 40.800 0.025 0.000 1.019 163 D HN 0.090 nan 8.370 nan 0.000 0.507 164 I N 3.028 123.612 120.570 0.022 0.000 2.588 164 I HA 0.117 4.291 4.170 0.006 0.000 0.283 164 I C 0.996 177.188 176.117 0.125 0.000 1.119 164 I CA 0.177 61.490 61.300 0.022 0.000 1.419 164 I CB 0.411 38.356 38.000 -0.090 0.000 1.394 164 I HN -0.009 nan 8.210 nan 0.000 0.562 165 R N 5.778 126.308 120.500 0.049 0.000 2.836 165 R HA 0.702 5.046 4.340 0.006 0.000 0.269 165 R C -1.392 174.811 176.300 -0.162 0.000 1.010 165 R CA -0.987 55.085 56.100 -0.046 0.000 0.930 165 R CB 1.794 32.086 30.300 -0.013 0.000 1.218 165 R HN 0.254 nan 8.270 nan 0.000 0.473 166 M N 1.515 120.911 119.600 -0.339 0.000 2.180 166 M HA 0.360 4.843 4.480 0.006 0.000 0.350 166 M C -2.350 173.861 176.300 -0.149 0.000 1.125 166 M CA -2.772 52.392 55.300 -0.227 0.000 1.031 166 M CB 1.169 33.580 32.600 -0.315 0.000 1.623 166 M HN 0.422 nan 8.290 nan 0.000 0.451 167 P HA 0.074 nan 4.420 nan 0.000 0.263 167 P C -0.250 176.984 177.300 -0.110 0.000 1.247 167 P CA 0.184 63.173 63.100 -0.186 0.000 0.876 167 P CB -0.152 31.390 31.700 -0.263 0.000 0.928 168 T N -0.178 114.321 114.554 -0.092 0.000 2.847 168 T HA 0.461 4.815 4.350 0.006 0.000 0.279 168 T C 1.597 176.224 174.700 -0.121 0.000 0.984 168 T CA -0.321 61.751 62.100 -0.046 0.000 0.988 168 T CB 0.948 69.835 68.868 0.031 0.000 1.040 168 T HN 0.171 nan 8.240 nan 0.000 0.528 169 A N 1.404 124.168 122.820 -0.093 0.000 1.940 169 A HA -0.242 4.082 4.320 0.006 0.000 0.221 169 A C 2.078 179.190 177.584 -0.787 0.000 1.190 169 A CA 2.272 54.147 52.037 -0.271 0.000 0.647 169 A CB -1.209 17.733 19.000 -0.098 0.000 0.821 169 A HN 1.013 nan 8.150 nan 0.000 0.457 170 D N -1.515 118.368 120.400 -0.860 0.000 2.178 170 D HA -0.108 4.536 4.640 0.006 0.000 0.202 170 D C 1.657 177.672 176.300 -0.476 0.000 0.974 170 D CA 1.669 55.047 54.000 -1.036 0.000 0.841 170 D CB -1.036 39.430 40.800 -0.557 0.000 0.953 170 D HN 0.350 nan 8.370 nan 0.000 0.478 171 T N 0.600 114.975 114.554 -0.299 0.000 2.737 171 T HA -0.115 4.238 4.350 0.006 0.000 0.265 171 T C 2.246 176.797 174.700 -0.248 0.000 1.038 171 T CA 1.525 63.498 62.100 -0.210 0.000 1.144 171 T CB -0.492 68.264 68.868 -0.186 0.000 0.866 171 T HN 0.325 nan 8.240 nan 0.000 0.434 172 C N 1.474 120.617 119.300 -0.261 0.000 2.422 172 C HA 0.093 4.556 4.460 0.006 0.000 0.279 172 C C 3.020 177.910 174.990 -0.166 0.000 1.305 172 C CA 0.113 59.021 59.018 -0.184 0.000 1.757 172 C CB -1.607 26.077 27.740 -0.094 0.000 1.962 172 C HN 0.693 nan 8.230 nan 0.000 0.499 173 G N 0.685 109.294 108.800 -0.318 0.000 2.471 173 G HA2 -0.143 3.820 3.960 0.006 0.000 0.219 173 G HA3 -0.143 3.820 3.960 0.006 0.000 0.219 173 G C 1.554 176.456 174.900 0.002 0.000 1.125 173 G CA 1.504 46.479 45.100 -0.209 0.000 0.775 173 G HN 0.527 nan 8.290 nan 0.000 0.548 174 T N 0.195 114.649 114.554 -0.167 0.000 2.720 174 T HA -0.195 4.159 4.350 0.006 0.000 0.268 174 T C 2.420 176.904 174.700 -0.359 0.000 1.037 174 T CA 1.467 63.288 62.100 -0.465 0.000 1.144 174 T CB -0.372 68.259 68.868 -0.395 0.000 0.864 174 T HN 0.411 nan 8.240 nan 0.000 0.444 175 C N 0.142 119.251 119.300 -0.318 0.000 2.568 175 C HA 0.104 4.567 4.460 0.006 0.000 0.284 175 C C 1.695 176.504 174.990 -0.301 0.000 1.338 175 C CA -0.341 58.458 59.018 -0.365 0.000 1.724 175 C CB -0.838 26.581 27.740 -0.536 0.000 2.131 175 C HN 0.554 nan 8.230 nan 0.000 0.513 176 H N 1.974 120.995 119.070 -0.082 0.000 2.989 176 H HA 0.112 4.671 4.556 0.006 0.000 0.284 176 H C 1.311 176.660 175.328 0.036 0.000 1.440 176 H CA -0.097 55.928 56.048 -0.038 0.000 1.209 176 H CB -0.397 29.334 29.762 -0.052 0.000 1.453 176 H HN 0.270 nan 8.280 nan 0.000 0.550 177 L N 1.045 122.352 121.223 0.140 0.000 2.129 177 L HA -0.184 4.160 4.340 0.006 0.000 0.212 177 L C 2.550 179.506 176.870 0.144 0.000 1.087 177 L CA 1.579 56.544 54.840 0.209 0.000 0.757 177 L CB -0.339 41.818 42.059 0.162 0.000 0.896 177 L HN 0.228 nan 8.230 nan 0.000 0.434 178 R N -0.525 120.028 120.500 0.087 0.000 2.075 178 R HA -0.141 4.203 4.340 0.006 0.000 0.232 178 R C 1.978 178.265 176.300 -0.022 0.000 1.126 178 R CA 1.627 57.746 56.100 0.031 0.000 0.963 178 R CB -0.163 30.149 30.300 0.021 0.000 0.858 178 R HN 0.552 nan 8.270 nan 0.000 0.435 179 E N -0.018 120.147 120.200 -0.059 0.000 2.216 179 E HA -0.165 4.188 4.350 0.006 0.000 0.192 179 E C 1.809 178.395 176.600 -0.023 0.000 0.988 179 E CA 0.520 56.778 56.400 -0.237 0.000 0.834 179 E CB -0.570 28.808 29.700 -0.536 0.000 0.772 179 E HN 0.312 nan 8.360 nan 0.000 0.479 180 F N 2.834 122.736 119.950 -0.080 0.000 2.084 180 F HA 0.024 4.554 4.527 0.006 0.000 0.296 180 F C 2.398 178.151 175.800 -0.078 0.000 1.111 180 F CA 1.179 59.138 58.000 -0.068 0.000 1.224 180 F CB -0.756 38.211 39.000 -0.056 0.000 0.991 180 F HN 0.035 nan 8.300 nan 0.000 0.471 181 A N 0.186 122.879 122.820 -0.212 0.000 1.877 181 A HA -0.212 4.111 4.320 0.006 0.000 0.216 181 A C 2.162 179.619 177.584 -0.211 0.000 1.186 181 A CA 1.832 53.675 52.037 -0.324 0.000 0.620 181 A CB -1.021 17.858 19.000 -0.200 0.000 0.822 181 A HN 0.548 nan 8.150 nan 0.000 0.443 182 E N -1.011 119.127 120.200 -0.103 0.000 2.118 182 E HA -0.215 4.138 4.350 0.006 0.000 0.195 182 E C 2.334 178.925 176.600 -0.014 0.000 0.992 182 E CA 0.963 57.337 56.400 -0.044 0.000 0.804 182 E CB -0.140 29.559 29.700 -0.001 0.000 0.741 182 E HN 0.392 nan 8.360 nan 0.000 0.458 183 R N 0.985 121.491 120.500 0.010 0.000 2.073 183 R HA -0.097 4.246 4.340 0.006 0.000 0.229 183 R C 1.762 178.044 176.300 -0.030 0.000 1.120 183 R CA 0.981 57.119 56.100 0.064 0.000 0.967 183 R CB 0.017 30.414 30.300 0.161 0.000 0.862 183 R HN 0.127 nan 8.270 nan 0.000 0.436 184 E N 0.619 120.718 120.200 -0.170 0.000 2.204 184 E HA -0.095 4.258 4.350 0.006 0.000 0.194 184 E C 1.665 178.171 176.600 -0.158 0.000 0.989 184 E CA 1.313 57.584 56.400 -0.214 0.000 0.824 184 E CB -0.076 29.349 29.700 -0.458 0.000 0.756 184 E HN 0.398 nan 8.360 nan 0.000 0.477 185 S N 0.430 116.039 115.700 -0.151 0.000 2.500 185 S HA -0.102 4.371 4.470 0.006 0.000 0.239 185 S C 1.609 176.149 174.600 -0.100 0.000 0.989 185 S CA 0.615 58.738 58.200 -0.129 0.000 0.951 185 S CB -0.183 62.944 63.200 -0.121 0.000 0.759 185 S HN 0.251 nan 8.310 nan 0.000 0.523 186 E N 1.452 121.606 120.200 -0.077 0.000 2.153 186 E HA -0.109 4.245 4.350 0.006 0.000 0.194 186 E C 2.277 178.846 176.600 -0.051 0.000 0.988 186 E CA 0.911 57.270 56.400 -0.068 0.000 0.811 186 E CB -0.137 29.539 29.700 -0.040 0.000 0.746 186 E HN 0.609 nan 8.360 nan 0.000 0.466 187 R N 0.758 121.238 120.500 -0.034 0.000 2.120 187 R HA -0.114 4.229 4.340 0.006 0.000 0.234 187 R C 1.595 177.888 176.300 -0.012 0.000 1.123 187 R CA 1.408 57.505 56.100 -0.004 0.000 0.975 187 R CB -0.023 30.275 30.300 -0.002 0.000 0.866 187 R HN 0.239 nan 8.270 nan 0.000 0.446 188 D N -0.581 119.792 120.400 -0.045 0.000 2.197 188 D HA -0.071 4.573 4.640 0.006 0.000 0.212 188 D C 1.959 178.225 176.300 -0.058 0.000 0.963 188 D CA 1.738 55.711 54.000 -0.044 0.000 0.864 188 D CB -0.250 40.514 40.800 -0.061 0.000 1.009 188 D HN 0.277 nan 8.370 nan 0.000 0.479 189 T N -0.486 114.010 114.554 -0.095 0.000 2.857 189 T HA -0.083 4.271 4.350 0.006 0.000 0.266 189 T C 1.290 175.902 174.700 -0.147 0.000 1.048 189 T CA 0.381 62.397 62.100 -0.139 0.000 1.139 189 T CB -0.129 68.615 68.868 -0.207 0.000 0.874 189 T HN -0.132 nan 8.240 nan 0.000 0.455 190 M N 4.074 123.595 119.600 -0.131 0.000 3.213 190 M HA 0.376 4.860 4.480 0.006 0.000 0.275 190 M C -0.684 175.543 176.300 -0.122 0.000 1.424 190 M CA -2.019 53.181 55.300 -0.166 0.000 1.561 190 M CB -0.826 31.704 32.600 -0.117 0.000 1.109 190 M HN 0.257 nan 8.290 nan 0.000 0.552 191 V N 0.938 120.780 119.914 -0.120 0.000 2.444 191 V HA 0.641 4.764 4.120 0.006 0.000 0.294 191 V C -0.965 175.074 176.094 -0.092 0.000 1.022 191 V CA -0.980 61.308 62.300 -0.021 0.000 0.850 191 V CB 0.616 32.463 31.823 0.040 0.000 0.992 191 V HN 0.626 nan 8.190 nan 0.000 0.426 192 W N 5.968 127.312 121.300 0.073 0.000 2.238 192 W HA 0.441 5.104 4.660 0.005 0.000 0.321 192 W C -0.781 175.587 176.519 -0.251 0.000 1.293 192 W CA -1.429 55.856 57.345 -0.099 0.000 1.204 192 W CB 0.708 30.142 29.460 -0.043 0.000 1.167 192 W HN 0.459 nan 8.180 nan 0.000 0.553 193 P HA -0.232 nan 4.420 nan 0.000 0.216 193 P C 0.139 177.341 177.300 -0.163 0.000 1.150 193 P CA 1.866 64.713 63.100 -0.422 0.000 0.843 193 P CB 0.394 31.610 31.700 -0.808 0.000 0.787 194 N N -1.323 117.315 118.700 -0.103 0.000 2.416 194 N HA 0.175 4.919 4.740 0.006 0.000 0.267 194 N C 0.716 176.220 175.510 -0.010 0.000 1.294 194 N CA 0.432 53.449 53.050 -0.055 0.000 0.891 194 N CB 0.697 39.136 38.487 -0.080 0.000 1.238 194 N HN 0.139 nan 8.380 nan 0.000 0.508 195 G N 1.801 110.644 108.800 0.072 0.000 2.258 195 G HA2 -0.355 3.608 3.960 0.006 0.000 0.274 195 G HA3 -0.355 3.608 3.960 0.006 0.000 0.274 195 G C 0.956 175.857 174.900 0.001 0.000 1.021 195 G CA 0.517 45.677 45.100 0.099 0.000 0.798 195 G HN 0.299 nan 8.290 nan 0.000 0.507 196 Q N -2.099 117.665 119.800 -0.061 0.000 2.325 196 Q HA 0.009 4.352 4.340 0.006 0.000 0.211 196 Q C 0.821 176.461 176.000 -0.599 0.000 0.988 196 Q CA 1.841 57.425 55.803 -0.365 0.000 0.887 196 Q CB 0.021 28.462 28.738 -0.495 0.000 0.915 196 Q HN 0.826 nan 8.270 nan 0.000 0.440 197 W N -2.312 118.676 121.300 -0.520 0.000 3.075 197 W HA 0.381 5.044 4.660 0.005 0.000 0.334 197 W C -2.373 174.155 176.519 0.015 0.000 1.243 197 W CA -2.377 54.781 57.345 -0.312 0.000 1.170 197 W CB 0.794 29.990 29.460 -0.440 0.000 1.452 197 W HN -0.319 nan 8.180 nan 0.000 0.572 198 P HA 0.216 nan 4.420 nan 0.000 0.269 198 P C -0.542 176.938 177.300 0.300 0.000 1.209 198 P CA -0.099 63.142 63.100 0.235 0.000 0.776 198 P CB 0.401 32.210 31.700 0.182 0.000 0.876 199 A N 2.612 125.561 122.820 0.216 0.000 2.546 199 A HA 0.397 4.720 4.320 0.006 0.000 0.243 199 A C 1.514 179.194 177.584 0.161 0.000 1.063 199 A CA 0.793 52.944 52.037 0.190 0.000 0.757 199 A CB -1.452 17.623 19.000 0.125 0.000 0.991 199 A HN 0.899 nan 8.150 nan 0.000 0.503 200 G N 2.093 110.976 108.800 0.137 0.000 2.159 200 G HA2 -0.203 3.760 3.960 0.006 0.000 0.256 200 G HA3 -0.203 3.760 3.960 0.006 0.000 0.256 200 G C 0.216 175.179 174.900 0.104 0.000 0.977 200 G CA 0.434 45.588 45.100 0.089 0.000 0.652 200 G HN 0.939 nan 8.290 nan 0.000 0.531 201 R N -0.014 120.599 120.500 0.189 0.000 2.686 201 R HA 0.511 4.855 4.340 0.006 0.000 0.286 201 R C -3.065 173.325 176.300 0.149 0.000 0.969 201 R CA -1.920 54.268 56.100 0.147 0.000 0.898 201 R CB 2.166 32.590 30.300 0.206 0.000 1.183 201 R HN 0.058 nan 8.270 nan 0.000 0.456 202 P HA 0.220 nan 4.420 nan 0.000 0.277 202 P C -0.603 176.631 177.300 -0.111 0.000 1.240 202 P CA -0.169 62.823 63.100 -0.180 0.000 0.798 202 P CB 1.200 32.704 31.700 -0.327 0.000 0.979 203 S N -0.222 115.407 115.700 -0.118 0.000 2.656 203 S HA 0.287 4.760 4.470 0.006 0.000 0.265 203 S C -0.037 174.481 174.600 -0.138 0.000 1.132 203 S CA -0.527 57.570 58.200 -0.172 0.000 0.819 203 S CB 0.339 63.500 63.200 -0.065 0.000 1.119 203 S HN 0.480 nan 8.310 nan 0.000 0.476 204 H N -0.123 118.964 119.070 0.028 0.000 2.547 204 H HA 0.418 4.978 4.556 0.006 0.000 0.272 204 H C 2.176 177.553 175.328 0.082 0.000 0.971 204 H CA 0.642 56.716 56.048 0.043 0.000 1.245 204 H CB 0.122 29.903 29.762 0.032 0.000 1.440 204 H HN 0.709 nan 8.280 nan 0.000 0.540 205 A N 0.820 123.746 122.820 0.177 0.000 1.930 205 A HA -0.059 4.264 4.320 0.006 0.000 0.217 205 A C 1.333 179.016 177.584 0.166 0.000 1.175 205 A CA 1.108 53.247 52.037 0.169 0.000 0.627 205 A CB 0.131 19.195 19.000 0.106 0.000 0.815 205 A HN 0.219 nan 8.150 nan 0.000 0.443 206 L N 0.948 122.249 121.223 0.130 0.000 3.110 206 L HA 0.108 4.451 4.340 0.006 0.000 0.266 206 L C 1.135 178.081 176.870 0.128 0.000 1.257 206 L CA 0.628 55.541 54.840 0.121 0.000 1.038 206 L CB 0.009 42.126 42.059 0.096 0.000 1.395 206 L HN 0.611 nan 8.230 nan 0.000 0.566 207 D N -1.001 119.500 120.400 0.168 0.000 2.178 207 D HA -0.291 4.352 4.640 0.006 0.000 0.202 207 D C 1.848 178.298 176.300 0.250 0.000 0.974 207 D CA 1.137 55.266 54.000 0.215 0.000 0.841 207 D CB -0.062 40.855 40.800 0.195 0.000 0.953 207 D HN 0.353 nan 8.370 nan 0.000 0.478 208 Y N 1.566 121.908 120.300 0.070 0.000 2.286 208 Y HA -0.033 4.520 4.550 0.006 0.000 0.293 208 Y C 2.387 178.225 175.900 -0.104 0.000 1.124 208 Y CA 1.636 59.724 58.100 -0.020 0.000 1.178 208 Y CB -0.320 38.135 38.460 -0.009 0.000 1.010 208 Y HN -0.074 nan 8.280 nan 0.000 0.536 209 T N 0.612 115.145 114.554 -0.035 0.000 2.708 209 T HA -0.217 4.136 4.350 0.006 0.000 0.266 209 T C 2.151 176.739 174.700 -0.187 0.000 1.037 209 T CA 1.577 63.614 62.100 -0.105 0.000 1.146 209 T CB -0.799 68.078 68.868 0.015 0.000 0.865 209 T HN 0.464 nan 8.240 nan 0.000 0.435 210 A N 2.053 124.805 122.820 -0.114 0.000 1.917 210 A HA -0.233 4.090 4.320 0.006 0.000 0.219 210 A C 2.235 179.608 177.584 -0.351 0.000 1.182 210 A CA 2.015 53.973 52.037 -0.132 0.000 0.633 210 A CB -0.952 18.045 19.000 -0.005 0.000 0.819 210 A HN 0.598 nan 8.150 nan 0.000 0.448 211 N N 0.407 118.756 118.700 -0.585 0.000 2.013 211 N HA -0.162 4.581 4.740 0.006 0.000 0.195 211 N C 1.853 176.769 175.510 -0.990 0.000 1.051 211 N CA 2.120 54.590 53.050 -0.967 0.000 0.851 211 N CB -0.277 37.520 38.487 -1.150 0.000 1.044 211 N HN 0.652 nan 8.380 nan 0.000 0.422 212 I N -1.598 118.325 120.570 -1.077 0.000 3.083 212 I HA 0.014 4.188 4.170 0.006 0.000 0.273 212 I C 0.199 176.198 176.117 -0.197 0.000 1.297 212 I CA 1.126 61.947 61.300 -0.798 0.000 1.452 212 I CB -0.087 37.533 38.000 -0.634 0.000 1.078 212 I HN -0.058 nan 8.210 nan 0.000 0.484 213 E N 1.639 121.708 120.200 -0.219 0.000 2.585 213 E HA 0.229 4.582 4.350 0.006 0.000 0.206 213 E C -0.319 176.221 176.600 -0.101 0.000 1.007 213 E CA 0.047 56.396 56.400 -0.084 0.000 1.028 213 E CB 0.655 30.314 29.700 -0.068 0.000 1.087 213 E HN 0.308 nan 8.360 nan 0.000 0.455 214 T N 0.960 115.443 114.554 -0.117 0.000 2.947 214 T HA 0.132 4.486 4.350 0.006 0.000 0.337 214 T C 1.335 176.041 174.700 0.010 0.000 1.139 214 T CA -0.261 61.764 62.100 -0.126 0.000 0.992 214 T CB 1.264 69.988 68.868 -0.240 0.000 1.043 214 T HN -0.011 nan 8.240 nan 0.000 0.498 215 T N 2.457 117.010 114.554 -0.002 0.000 2.635 215 T HA -0.225 4.128 4.350 0.006 0.000 0.265 215 T C 2.259 176.966 174.700 0.012 0.000 1.058 215 T CA 1.912 64.010 62.100 -0.004 0.000 1.162 215 T CB -0.522 68.323 68.868 -0.038 0.000 0.859 215 T HN 0.492 nan 8.240 nan 0.000 0.449 216 V N -0.068 119.893 119.914 0.078 0.000 2.252 216 V HA -0.244 3.879 4.120 0.006 0.000 0.249 216 V C 2.015 178.123 176.094 0.023 0.000 1.056 216 V CA 2.125 64.481 62.300 0.093 0.000 1.022 216 V CB -1.136 30.839 31.823 0.254 0.000 0.641 216 V HN 0.650 nan 8.190 nan 0.000 0.445 217 W N 1.059 122.278 121.300 -0.134 0.000 2.321 217 W HA -0.260 4.402 4.660 0.004 0.000 0.306 217 W C 2.442 178.838 176.519 -0.205 0.000 1.217 217 W CA 2.571 59.785 57.345 -0.219 0.000 1.257 217 W CB -0.304 28.968 29.460 -0.313 0.000 1.145 217 W HN 0.219 nan 8.180 nan 0.000 0.509 218 A N -0.847 121.907 122.820 -0.110 0.000 1.970 218 A HA -0.086 4.237 4.320 0.006 0.000 0.216 218 A C 1.975 179.500 177.584 -0.097 0.000 1.170 218 A CA 2.185 54.138 52.037 -0.140 0.000 0.645 218 A CB -1.378 17.755 19.000 0.222 0.000 0.816 218 A HN 0.405 nan 8.150 nan 0.000 0.447 219 T N -1.400 113.076 114.554 -0.130 0.000 2.894 219 T HA 0.078 4.431 4.350 0.006 0.000 0.258 219 T C 1.199 175.829 174.700 -0.117 0.000 1.043 219 T CA 0.594 62.606 62.100 -0.147 0.000 1.141 219 T CB -0.819 67.914 68.868 -0.225 0.000 0.873 219 T HN 0.550 nan 8.240 nan 0.000 0.449 220 M N 2.651 122.189 119.600 -0.103 0.000 2.327 220 M HA 0.232 4.716 4.480 0.006 0.000 0.353 220 M C -1.542 174.739 176.300 -0.032 0.000 1.539 220 M CA -1.254 54.034 55.300 -0.019 0.000 1.039 220 M CB 0.260 32.887 32.600 0.046 0.000 1.967 220 M HN -0.089 nan 8.290 nan 0.000 0.459 221 P HA -0.202 nan 4.420 nan 0.000 0.218 221 P C 0.001 177.310 177.300 0.014 0.000 1.148 221 P CA 1.390 64.505 63.100 0.026 0.000 0.822 221 P CB -0.215 31.524 31.700 0.065 0.000 0.784 222 Q N 0.409 120.228 119.800 0.032 0.000 2.837 222 Q HA 0.125 4.468 4.340 0.006 0.000 0.235 222 Q C 0.856 176.850 176.000 -0.010 0.000 1.348 222 Q CA -0.164 55.656 55.803 0.027 0.000 0.990 222 Q CB 0.143 28.916 28.738 0.058 0.000 1.570 222 Q HN 0.058 nan 8.270 nan 0.000 0.575 223 R N 1.890 122.365 120.500 -0.041 0.000 2.113 223 R HA -0.196 4.148 4.340 0.006 0.000 0.244 223 R C 1.326 177.613 176.300 -0.021 0.000 1.142 223 R CA 1.670 57.720 56.100 -0.083 0.000 0.953 223 R CB -0.458 29.810 30.300 -0.053 0.000 0.860 223 R HN 0.480 nan 8.270 nan 0.000 0.438 224 E N 0.155 120.370 120.200 0.024 0.000 2.085 224 E HA -0.112 4.242 4.350 0.006 0.000 0.194 224 E C 2.066 178.712 176.600 0.078 0.000 0.994 224 E CA 1.181 57.616 56.400 0.058 0.000 0.801 224 E CB -0.264 29.471 29.700 0.059 0.000 0.743 224 E HN 0.076 nan 8.360 nan 0.000 0.453 225 V N 0.545 120.505 119.914 0.076 0.000 2.515 225 V HA -0.221 3.902 4.120 0.006 0.000 0.250 225 V C 2.128 178.293 176.094 0.119 0.000 1.058 225 V CA 1.657 64.027 62.300 0.117 0.000 1.064 225 V CB -0.768 31.141 31.823 0.143 0.000 0.675 225 V HN 0.332 nan 8.190 nan 0.000 0.461 226 A N -0.154 122.693 122.820 0.045 0.000 2.014 226 A HA -0.163 4.160 4.320 0.006 0.000 0.218 226 A C 2.150 179.883 177.584 0.248 0.000 1.163 226 A CA 1.555 53.608 52.037 0.027 0.000 0.652 226 A CB -0.357 18.425 19.000 -0.363 0.000 0.808 226 A HN 0.501 nan 8.150 nan 0.000 0.449 227 E N 0.056 120.369 120.200 0.188 0.000 2.347 227 E HA 0.007 4.361 4.350 0.006 0.000 0.196 227 E C 1.810 178.539 176.600 0.215 0.000 1.008 227 E CA 0.922 57.468 56.400 0.243 0.000 0.852 227 E CB -0.504 29.308 29.700 0.185 0.000 0.783 227 E HN 0.442 nan 8.360 nan 0.000 0.505 228 G N -0.878 108.033 108.800 0.185 0.000 2.598 228 G HA2 -0.189 3.774 3.960 0.006 0.000 0.215 228 G HA3 -0.189 3.774 3.960 0.006 0.000 0.215 228 G C 1.491 176.503 174.900 0.187 0.000 1.131 228 G CA 0.735 45.938 45.100 0.171 0.000 0.785 228 G HN 0.369 nan 8.290 nan 0.000 0.539 229 C N 0.160 119.580 119.300 0.200 0.000 2.504 229 C HA 0.094 4.558 4.460 0.006 0.000 0.279 229 C C 3.080 178.167 174.990 0.162 0.000 1.358 229 C CA 1.189 60.312 59.018 0.175 0.000 1.747 229 C CB -0.489 27.306 27.740 0.092 0.000 2.037 229 C HN 0.426 nan 8.230 nan 0.000 0.503 230 T N 1.364 116.005 114.554 0.145 0.000 2.821 230 T HA -0.114 4.239 4.350 0.006 0.000 0.267 230 T C 1.718 176.541 174.700 0.206 0.000 1.046 230 T CA 1.192 63.375 62.100 0.140 0.000 1.139 230 T CB -0.270 68.737 68.868 0.232 0.000 0.871 230 T HN 0.478 nan 8.240 nan 0.000 0.454 231 M N 0.493 120.201 119.600 0.180 0.000 2.346 231 M HA -0.077 4.406 4.480 0.006 0.000 0.263 231 M C 1.699 178.056 176.300 0.095 0.000 1.064 231 M CA 0.933 56.315 55.300 0.137 0.000 1.083 231 M CB -0.585 32.088 32.600 0.122 0.000 1.399 231 M HN 0.325 nan 8.290 nan 0.000 0.435 232 C N -1.356 118.009 119.300 0.108 0.000 2.906 232 C HA 0.100 4.563 4.460 0.006 0.000 0.274 232 C C 1.233 176.113 174.990 -0.184 0.000 1.257 232 C CA -0.170 58.831 59.018 -0.027 0.000 1.695 232 C CB -0.969 26.753 27.740 -0.031 0.000 1.958 232 C HN 0.406 nan 8.230 nan 0.000 0.619 233 H N 0.227 119.322 119.070 0.042 0.000 2.528 233 H HA 0.122 4.681 4.556 0.005 0.000 0.256 233 H C 1.100 176.526 175.328 0.164 0.000 1.204 233 H CA 0.412 56.498 56.048 0.064 0.000 0.955 233 H CB 0.238 29.980 29.762 -0.033 0.000 1.817 233 H HN 0.531 nan 8.280 nan 0.000 0.579 234 T N -4.059 110.592 114.554 0.161 0.000 3.023 234 T HA 0.004 4.358 4.350 0.006 0.000 0.253 234 T C 1.462 176.201 174.700 0.066 0.000 1.038 234 T CA -0.134 62.029 62.100 0.106 0.000 0.962 234 T CB 0.205 69.111 68.868 0.063 0.000 1.018 234 T HN 0.226 nan 8.240 nan 0.000 0.521 235 N N 2.088 120.824 118.700 0.059 0.000 2.247 235 N HA -0.237 4.506 4.740 0.006 0.000 0.189 235 N C 2.055 177.633 175.510 0.113 0.000 1.009 235 N CA 1.544 54.616 53.050 0.037 0.000 0.872 235 N CB -0.216 38.257 38.487 -0.022 0.000 0.980 235 N HN 0.716 nan 8.380 nan 0.000 0.436 236 Q N 0.251 120.151 119.800 0.166 0.000 2.311 236 Q HA -0.033 4.311 4.340 0.006 0.000 0.203 236 Q C 0.966 177.109 176.000 0.238 0.000 0.954 236 Q CA 0.969 56.911 55.803 0.232 0.000 0.885 236 Q CB 0.220 29.099 28.738 0.233 0.000 0.963 236 Q HN 0.294 nan 8.270 nan 0.000 0.471 237 N N 1.217 119.976 118.700 0.098 0.000 2.305 237 N HA 0.020 4.763 4.740 0.006 0.000 0.179 237 N C -0.197 175.353 175.510 0.066 0.000 1.019 237 N CA 1.141 54.213 53.050 0.037 0.000 0.869 237 N CB 0.298 38.693 38.487 -0.153 0.000 1.000 237 N HN 0.416 nan 8.380 nan 0.000 0.431 238 K N -1.109 119.320 120.400 0.048 0.000 2.477 238 K HA 0.467 4.790 4.320 0.006 0.000 0.255 238 K C -0.675 175.947 176.600 0.037 0.000 0.952 238 K CA -0.657 55.653 56.287 0.037 0.000 0.826 238 K CB 1.625 34.143 32.500 0.031 0.000 1.331 238 K HN -0.209 nan 8.250 nan 0.000 0.437 239 C N 1.579 120.909 119.300 0.051 0.000 2.614 239 C HA 0.086 4.550 4.460 0.006 0.000 0.299 239 C C 0.220 175.255 174.990 0.074 0.000 1.293 239 C CA -0.164 58.892 59.018 0.063 0.000 1.713 239 C CB -1.850 25.956 27.740 0.111 0.000 1.890 239 C HN 0.909 nan 8.230 nan 0.000 0.602 240 D N -0.571 119.870 120.400 0.068 0.000 2.894 240 D HA 0.048 4.692 4.640 0.006 0.000 0.248 240 D C 0.494 176.728 176.300 -0.110 0.000 1.291 240 D CA -0.054 53.962 54.000 0.027 0.000 0.840 240 D CB -0.901 39.914 40.800 0.025 0.000 1.044 240 D HN 0.377 nan 8.370 nan 0.000 0.484 241 N N -1.044 117.558 118.700 -0.164 0.000 2.439 241 N HA 0.039 4.782 4.740 0.006 0.000 0.176 241 N C 0.937 176.321 175.510 -0.210 0.000 1.029 241 N CA 0.336 53.285 53.050 -0.169 0.000 0.886 241 N CB 0.269 38.661 38.487 -0.158 0.000 1.057 241 N HN 0.157 nan 8.380 nan 0.000 0.437 242 C N 0.048 119.161 119.300 -0.312 0.000 2.564 242 C HA 0.072 4.536 4.460 0.006 0.000 0.281 242 C C 0.437 175.311 174.990 -0.193 0.000 1.314 242 C CA 0.227 59.082 59.018 -0.271 0.000 1.706 242 C CB -1.174 26.381 27.740 -0.307 0.000 2.109 242 C HN 0.541 nan 8.230 nan 0.000 0.502 243 H N 0.891 119.939 119.070 -0.036 0.000 2.680 243 H HA 0.457 5.016 4.556 0.005 0.000 0.260 243 H C 0.349 175.605 175.328 -0.120 0.000 1.328 243 H CA -0.471 55.554 56.048 -0.038 0.000 1.269 243 H CB -0.703 29.086 29.762 0.044 0.000 1.446 243 H HN 0.263 nan 8.280 nan 0.000 0.527 244 T N 0.390 114.861 114.554 -0.137 0.000 2.854 244 T HA -0.069 4.285 4.350 0.006 0.000 0.336 244 T C 0.756 175.039 174.700 -0.694 0.000 1.095 244 T CA -0.694 61.232 62.100 -0.290 0.000 1.118 244 T CB 0.732 69.477 68.868 -0.205 0.000 1.025 244 T HN 0.882 nan 8.240 nan 0.000 0.549 245 R N 0.183 120.181 120.500 -0.838 0.000 2.738 245 R HA 0.143 4.487 4.340 0.006 0.000 0.268 245 R C -0.267 175.295 176.300 -1.231 0.000 1.062 245 R CA -0.302 54.913 56.100 -1.476 0.000 1.158 245 R CB -0.576 29.085 30.300 -1.066 0.000 1.046 245 R HN 0.979 nan 8.270 nan 0.000 0.493 246 H N -0.723 117.831 119.070 -0.860 0.000 2.672 246 H HA -0.215 4.344 4.556 0.005 0.000 0.325 246 H C 0.106 175.350 175.328 -0.140 0.000 1.158 246 H CA 0.854 56.741 56.048 -0.269 0.000 1.134 246 H CB -0.781 28.668 29.762 -0.522 0.000 1.553 246 H HN 0.979 nan 8.280 nan 0.000 0.419 247 E N -0.900 119.292 120.200 -0.015 0.000 1.306 247 E HA -0.061 4.292 4.350 0.006 0.000 0.217 247 E C -0.221 176.407 176.600 0.047 0.000 1.057 247 E CA 0.334 56.743 56.400 0.016 0.000 1.133 247 E CB -0.356 29.316 29.700 -0.047 0.000 4.662 247 E HN 0.174 nan 8.360 nan 0.000 0.697 248 F N 2.055 121.982 119.950 -0.038 0.000 2.871 248 F HA -0.225 4.305 4.527 0.005 0.000 0.226 248 F C 0.248 175.950 175.800 -0.164 0.000 1.026 248 F CA 1.141 59.103 58.000 -0.065 0.000 0.828 248 F CB -1.620 37.328 39.000 -0.086 0.000 0.683 248 F HN -0.003 nan 8.300 nan 0.000 0.831 249 S N 0.413 116.123 115.700 0.017 0.000 2.510 249 S HA 0.581 5.055 4.470 0.006 0.000 0.279 249 S C 1.234 175.840 174.600 0.010 0.000 1.284 249 S CA -0.100 58.093 58.200 -0.011 0.000 1.059 249 S CB 1.277 64.475 63.200 -0.003 0.000 0.901 249 S HN 0.493 nan 8.310 nan 0.000 0.491 250 A N 5.256 128.058 122.820 -0.029 0.000 2.015 250 A HA 0.172 4.495 4.320 0.006 0.000 0.219 250 A C 2.306 179.949 177.584 0.098 0.000 1.163 250 A CA 1.452 53.500 52.037 0.018 0.000 0.646 250 A CB -1.065 17.942 19.000 0.011 0.000 0.806 250 A HN 1.164 nan 8.150 nan 0.000 0.448 251 A N -0.203 122.677 122.820 0.101 0.000 1.972 251 A HA -0.172 4.152 4.320 0.006 0.000 0.219 251 A C 2.006 179.645 177.584 0.091 0.000 1.169 251 A CA 1.694 53.827 52.037 0.161 0.000 0.635 251 A CB -0.429 18.673 19.000 0.170 0.000 0.810 251 A HN 0.679 nan 8.150 nan 0.000 0.446 252 E N 0.581 120.800 120.200 0.032 0.000 2.028 252 E HA -0.161 4.192 4.350 0.006 0.000 0.191 252 E C 2.008 178.599 176.600 -0.016 0.000 0.988 252 E CA 1.523 57.902 56.400 -0.034 0.000 0.799 252 E CB -0.138 29.552 29.700 -0.017 0.000 0.755 252 E HN 0.687 nan 8.360 nan 0.000 0.447 253 S N 0.136 115.878 115.700 0.070 0.000 2.584 253 S HA -0.047 4.426 4.470 0.006 0.000 0.240 253 S C 1.597 176.238 174.600 0.067 0.000 0.975 253 S CA 0.465 58.705 58.200 0.068 0.000 0.949 253 S CB -0.230 63.086 63.200 0.194 0.000 0.761 253 S HN 0.234 nan 8.310 nan 0.000 0.536 254 R N 0.815 121.381 120.500 0.110 0.000 2.290 254 R HA 0.230 4.574 4.340 0.006 0.000 0.197 254 R C 0.066 176.515 176.300 0.249 0.000 0.913 254 R CA 0.187 56.414 56.100 0.211 0.000 1.040 254 R CB 0.160 30.662 30.300 0.337 0.000 0.992 254 R HN 0.392 nan 8.270 nan 0.000 0.500 255 K N 1.165 121.551 120.400 -0.022 0.000 2.218 255 K HA 0.123 4.447 4.320 0.006 0.000 0.276 255 K C -1.958 174.653 176.600 0.018 0.000 1.022 255 K CA -1.735 54.422 56.287 -0.215 0.000 0.946 255 K CB 0.859 33.042 32.500 -0.528 0.000 1.000 255 K HN -0.259 nan 8.250 nan 0.000 0.468 256 P HA -0.188 nan 4.420 nan 0.000 0.216 256 P C 0.398 177.806 177.300 0.179 0.000 1.150 256 P CA 1.244 64.521 63.100 0.295 0.000 0.843 256 P CB 0.276 32.338 31.700 0.604 0.000 0.787 257 E N -0.247 119.975 120.200 0.036 0.000 2.171 257 E HA -0.186 4.167 4.350 0.006 0.000 0.197 257 E C 2.071 178.482 176.600 -0.314 0.000 0.997 257 E CA 1.518 57.720 56.400 -0.329 0.000 0.810 257 E CB -1.145 28.443 29.700 -0.187 0.000 0.738 257 E HN 0.183 nan 8.360 nan 0.000 0.467 258 A N -0.193 122.524 122.820 -0.172 0.000 2.076 258 A HA -0.198 4.125 4.320 0.006 0.000 0.220 258 A C 2.033 179.530 177.584 -0.145 0.000 1.160 258 A CA 1.473 53.421 52.037 -0.149 0.000 0.653 258 A CB -0.518 18.420 19.000 -0.103 0.000 0.801 258 A HN 0.451 nan 8.150 nan 0.000 0.455 259 C N -1.982 117.241 119.300 -0.129 0.000 2.865 259 C HA 0.491 4.955 4.460 0.006 0.000 0.280 259 C C 2.942 177.892 174.990 -0.067 0.000 1.255 259 C CA -0.405 58.572 59.018 -0.068 0.000 1.705 259 C CB -0.881 26.824 27.740 -0.059 0.000 2.080 259 C HN 0.703 nan 8.230 nan 0.000 0.591 260 A N 2.177 124.826 122.820 -0.285 0.000 1.884 260 A HA -0.262 4.062 4.320 0.006 0.000 0.219 260 A C 2.184 179.609 177.584 -0.265 0.000 1.197 260 A CA 2.944 54.686 52.037 -0.492 0.000 0.637 260 A CB -1.428 16.723 19.000 -1.415 0.000 0.827 260 A HN 0.537 nan 8.150 nan 0.000 0.450 261 T N -1.308 113.111 114.554 -0.225 0.000 2.778 261 T HA -0.197 4.157 4.350 0.006 0.000 0.269 261 T C 1.766 176.437 174.700 -0.047 0.000 1.050 261 T CA 1.612 63.642 62.100 -0.116 0.000 1.137 261 T CB -0.574 68.234 68.868 -0.099 0.000 0.860 261 T HN 0.634 nan 8.240 nan 0.000 0.468 262 C N -0.426 118.843 119.300 -0.051 0.000 2.469 262 C HA 0.136 4.599 4.460 0.006 0.000 0.309 262 C C 1.390 176.267 174.990 -0.188 0.000 1.385 262 C CA -0.528 58.427 59.018 -0.104 0.000 1.890 262 C CB -0.531 27.120 27.740 -0.148 0.000 2.245 262 C HN 0.541 nan 8.230 nan 0.000 0.530 263 H N 2.201 121.220 119.070 -0.085 0.000 2.855 263 H HA 0.299 4.859 4.556 0.005 0.000 0.238 263 H C 0.193 175.594 175.328 0.123 0.000 1.847 263 H CA 0.578 56.584 56.048 -0.071 0.000 1.368 263 H CB -0.160 29.571 29.762 -0.052 0.000 1.758 263 H HN 0.611 nan 8.280 nan 0.000 0.546 264 S N -0.339 115.533 115.700 0.287 0.000 2.661 264 S HA 0.703 5.176 4.470 0.006 0.000 0.268 264 S C 0.177 174.997 174.600 0.367 0.000 1.162 264 S CA -0.380 58.029 58.200 0.348 0.000 0.817 264 S CB 2.507 65.881 63.200 0.290 0.000 1.141 264 S HN 0.698 nan 8.310 nan 0.000 0.477 265 G N -0.573 108.371 108.800 0.240 0.000 2.610 265 G HA2 0.057 4.020 3.960 0.006 0.000 0.304 265 G HA3 0.057 4.020 3.960 0.006 0.000 0.304 265 G C 0.548 175.482 174.900 0.058 0.000 1.309 265 G CA 0.339 45.523 45.100 0.140 0.000 0.906 265 G HN 2.041 nan 8.290 nan 0.000 0.521 266 V N -2.351 117.568 119.914 0.008 0.000 2.490 266 V HA 0.036 4.159 4.120 0.006 0.000 0.250 266 V C 1.808 177.894 176.094 -0.014 0.000 1.061 266 V CA 2.773 65.074 62.300 0.001 0.000 1.064 266 V CB -0.557 31.265 31.823 -0.001 0.000 0.670 266 V HN 1.027 nan 8.190 nan 0.000 0.461 267 D N 0.442 120.755 120.400 -0.145 0.000 2.424 267 D HA 0.126 4.769 4.640 0.006 0.000 0.220 267 D C 0.156 176.372 176.300 -0.140 0.000 1.150 267 D CA 0.210 54.193 54.000 -0.029 0.000 0.831 267 D CB -0.459 40.482 40.800 0.235 0.000 0.981 267 D HN 0.910 nan 8.370 nan 0.000 0.500 268 H N -1.050 118.100 119.070 0.134 0.000 5.810 268 H HA 0.128 4.688 4.556 0.006 0.000 0.852 268 H C -1.197 174.194 175.328 0.106 0.000 1.981 268 H CA -1.146 54.950 56.048 0.080 0.000 1.496 268 H CB -1.849 27.933 29.762 0.034 0.000 4.253 268 H HN -0.099 nan 8.280 nan 0.000 0.653 269 N N 1.446 120.277 118.700 0.218 0.000 3.259 269 N HA 0.046 4.790 4.740 0.006 0.000 0.308 269 N C -0.313 175.289 175.510 0.154 0.000 1.334 269 N CA -0.259 52.912 53.050 0.203 0.000 1.202 269 N CB -0.181 38.395 38.487 0.148 0.000 1.485 269 N HN 0.655 nan 8.380 nan 0.000 0.549 270 N N 0.170 118.964 118.700 0.156 0.000 2.120 270 N HA -0.138 4.605 4.740 0.006 0.000 0.188 270 N C 1.198 176.790 175.510 0.136 0.000 1.024 270 N CA 1.356 54.399 53.050 -0.012 0.000 0.852 270 N CB -0.133 38.370 38.487 0.026 0.000 1.003 270 N HN 0.534 nan 8.380 nan 0.000 0.424 271 W N 1.889 123.238 121.300 0.083 0.000 2.358 271 W HA -0.203 4.460 4.660 0.006 0.000 0.303 271 W C 1.212 177.827 176.519 0.159 0.000 1.208 271 W CA 1.343 58.773 57.345 0.141 0.000 1.274 271 W CB 0.048 29.584 29.460 0.126 0.000 1.138 271 W HN 0.115 nan 8.180 nan 0.000 0.515 272 E N 0.762 121.017 120.200 0.091 0.000 2.028 272 E HA -0.153 4.200 4.350 0.006 0.000 0.191 272 E C 2.431 178.998 176.600 -0.055 0.000 0.988 272 E CA 2.028 58.402 56.400 -0.043 0.000 0.799 272 E CB -0.994 28.751 29.700 0.075 0.000 0.755 272 E HN 0.222 nan 8.360 nan 0.000 0.447 273 A N 0.333 123.168 122.820 0.026 0.000 1.883 273 A HA -0.235 4.088 4.320 0.006 0.000 0.217 273 A C 2.209 179.839 177.584 0.076 0.000 1.186 273 A CA 1.778 53.858 52.037 0.070 0.000 0.624 273 A CB -0.990 18.086 19.000 0.127 0.000 0.822 273 A HN 0.433 nan 8.150 nan 0.000 0.444 274 Y N 1.170 121.452 120.300 -0.031 0.000 2.114 274 Y HA -0.189 4.364 4.550 0.006 0.000 0.284 274 Y C 2.585 178.430 175.900 -0.091 0.000 1.143 274 Y CA 2.475 60.589 58.100 0.025 0.000 1.135 274 Y CB -0.896 37.610 38.460 0.076 0.000 0.980 274 Y HN 0.280 nan 8.280 nan 0.000 0.499 275 T N 1.130 115.425 114.554 -0.431 0.000 2.822 275 T HA -0.176 4.177 4.350 0.006 0.000 0.270 275 T C 1.607 176.060 174.700 -0.411 0.000 1.064 275 T CA 1.650 63.379 62.100 -0.619 0.000 1.131 275 T CB -0.193 68.163 68.868 -0.854 0.000 0.858 275 T HN 0.306 nan 8.240 nan 0.000 0.483 276 M N 1.338 120.770 119.600 -0.280 0.000 2.510 276 M HA 0.208 4.691 4.480 0.006 0.000 0.256 276 M C 1.384 177.586 176.300 -0.164 0.000 1.132 276 M CA 0.159 55.348 55.300 -0.184 0.000 1.105 276 M CB -0.847 31.682 32.600 -0.118 0.000 1.375 276 M HN 0.239 nan 8.290 nan 0.000 0.477 277 S N 0.036 115.625 115.700 -0.185 0.000 2.624 277 S HA 0.198 4.672 4.470 0.006 0.000 0.263 277 S C 1.168 175.658 174.600 -0.184 0.000 1.287 277 S CA -0.380 57.724 58.200 -0.160 0.000 0.990 277 S CB 1.676 64.799 63.200 -0.127 0.000 0.950 277 S HN 0.035 nan 8.310 nan 0.000 0.561 278 K N 0.503 120.806 120.400 -0.161 0.000 2.026 278 K HA -0.082 4.242 4.320 0.006 0.000 0.208 278 K C 1.936 178.532 176.600 -0.006 0.000 1.048 278 K CA 1.883 58.118 56.287 -0.086 0.000 0.929 278 K CB -0.960 31.505 32.500 -0.057 0.000 0.713 278 K HN 0.833 nan 8.250 nan 0.000 0.439 279 H N -2.046 117.002 119.070 -0.037 0.000 2.362 279 H HA -0.163 4.396 4.556 0.006 0.000 0.294 279 H C 1.836 177.098 175.328 -0.110 0.000 1.113 279 H CA 0.942 57.006 56.048 0.027 0.000 1.253 279 H CB -0.051 29.799 29.762 0.147 0.000 1.363 279 H HN 0.427 nan 8.280 nan 0.000 0.494 280 G N 0.281 108.836 108.800 -0.409 0.000 2.453 280 G HA2 -0.135 3.828 3.960 0.006 0.000 0.215 280 G HA3 -0.135 3.828 3.960 0.006 0.000 0.215 280 G C 1.597 176.315 174.900 -0.303 0.000 1.147 280 G CA 0.083 44.706 45.100 -0.796 0.000 0.802 280 G HN 0.131 nan 8.290 nan 0.000 0.535 281 K N 0.395 120.675 120.400 -0.200 0.000 2.103 281 K HA 0.159 4.483 4.320 0.006 0.000 0.204 281 K C 2.453 179.021 176.600 -0.055 0.000 1.052 281 K CA 0.412 56.628 56.287 -0.117 0.000 0.945 281 K CB -0.457 31.983 32.500 -0.100 0.000 0.722 281 K HN 0.342 nan 8.250 nan 0.000 0.443 282 L N 0.321 121.543 121.223 -0.001 0.000 2.056 282 L HA -0.087 4.256 4.340 0.006 0.000 0.207 282 L C 2.503 179.384 176.870 0.018 0.000 1.078 282 L CA 1.125 55.993 54.840 0.047 0.000 0.749 282 L CB -0.658 41.486 42.059 0.141 0.000 0.901 282 L HN 0.034 nan 8.230 nan 0.000 0.433 283 A N 1.002 123.889 122.820 0.110 0.000 1.940 283 A HA -0.235 4.088 4.320 0.006 0.000 0.219 283 A C 2.183 179.726 177.584 -0.069 0.000 1.176 283 A CA 1.989 54.097 52.037 0.117 0.000 0.631 283 A CB -0.510 18.760 19.000 0.450 0.000 0.814 283 A HN 0.663 nan 8.150 nan 0.000 0.446 284 E N -1.314 118.869 120.200 -0.028 0.000 2.442 284 E HA 0.067 4.421 4.350 0.006 0.000 0.195 284 E C 1.771 178.320 176.600 -0.085 0.000 1.030 284 E CA 0.565 56.947 56.400 -0.030 0.000 0.869 284 E CB -0.213 29.486 29.700 -0.001 0.000 0.857 284 E HN 0.625 nan 8.360 nan 0.000 0.505 285 M N 0.961 120.491 119.600 -0.116 0.000 2.287 285 M HA 0.031 4.514 4.480 0.006 0.000 0.266 285 M C 0.984 177.174 176.300 -0.184 0.000 1.079 285 M CA 1.336 56.571 55.300 -0.110 0.000 1.146 285 M CB 0.073 32.630 32.600 -0.071 0.000 1.374 285 M HN 0.116 nan 8.290 nan 0.000 0.435 286 N N -0.278 118.211 118.700 -0.351 0.000 2.236 286 N HA 0.031 4.775 4.740 0.006 0.000 0.196 286 N C 1.273 176.214 175.510 -0.949 0.000 1.114 286 N CA -0.205 52.496 53.050 -0.582 0.000 0.859 286 N CB 0.089 38.226 38.487 -0.584 0.000 0.982 286 N HN 0.300 nan 8.380 nan 0.000 0.493 287 R N 0.902 121.041 120.500 -0.602 0.000 2.133 287 R HA -0.124 4.219 4.340 0.006 0.000 0.247 287 R C -0.152 176.163 176.300 0.026 0.000 1.151 287 R CA 1.447 57.429 56.100 -0.196 0.000 0.971 287 R CB -0.400 29.950 30.300 0.083 0.000 0.866 287 R HN 0.088 nan 8.270 nan 0.000 0.447 288 D N 0.605 120.972 120.400 -0.053 0.000 3.060 288 D HA 0.134 4.777 4.640 0.006 0.000 0.245 288 D C 0.091 176.390 176.300 -0.002 0.000 1.274 288 D CA 0.259 54.279 54.000 0.033 0.000 0.864 288 D CB 0.834 41.650 40.800 0.027 0.000 1.073 288 D HN 0.421 nan 8.370 nan 0.000 0.473 289 K N -0.940 119.435 120.400 -0.041 0.000 2.603 289 K HA 0.068 4.391 4.320 0.006 0.000 0.216 289 K C -0.123 176.602 176.600 0.209 0.000 1.562 289 K CA -0.366 55.947 56.287 0.043 0.000 1.012 289 K CB 1.093 33.602 32.500 0.015 0.000 1.280 289 K HN -0.030 nan 8.250 nan 0.000 0.620 290 W N 1.884 123.119 121.300 -0.109 0.000 2.449 290 W HA 0.367 5.030 4.660 0.005 0.000 0.331 290 W C 0.305 176.612 176.519 -0.353 0.000 1.119 290 W CA -1.429 55.722 57.345 -0.323 0.000 1.240 290 W CB 0.189 29.261 29.460 -0.647 0.000 1.251 290 W HN -0.120 nan 8.180 nan 0.000 0.576 291 N N 1.666 120.311 118.700 -0.091 0.000 2.558 291 N HA 0.055 4.798 4.740 0.006 0.000 0.233 291 N C 0.130 175.592 175.510 -0.079 0.000 1.038 291 N CA -0.429 52.602 53.050 -0.032 0.000 0.934 291 N CB 0.173 38.657 38.487 -0.006 0.000 1.175 291 N HN 0.418 nan 8.380 nan 0.000 0.512 292 W N 1.438 122.816 121.300 0.130 0.000 2.961 292 W HA 0.113 4.776 4.660 0.006 0.000 0.240 292 W C 1.506 178.064 176.519 0.065 0.000 1.305 292 W CA -0.294 57.114 57.345 0.105 0.000 1.465 292 W CB 0.518 30.049 29.460 0.118 0.000 1.135 292 W HN 0.452 nan 8.180 nan 0.000 0.688 293 E N -0.136 120.199 120.200 0.225 0.000 2.318 293 E HA 0.011 4.364 4.350 0.006 0.000 0.193 293 E C 0.572 177.261 176.600 0.149 0.000 0.998 293 E CA 0.365 56.866 56.400 0.169 0.000 0.859 293 E CB -0.215 29.564 29.700 0.132 0.000 0.812 293 E HN -0.029 nan 8.360 nan 0.000 0.492 294 V N 4.240 124.201 119.914 0.077 0.000 2.572 294 V HA -0.000 4.123 4.120 0.006 0.000 0.291 294 V C 0.856 176.896 176.094 -0.090 0.000 1.039 294 V CA -0.158 62.147 62.300 0.008 0.000 1.055 294 V CB 0.490 32.275 31.823 -0.064 0.000 0.969 294 V HN 0.217 nan 8.190 nan 0.000 0.482 295 R N 4.339 124.713 120.500 -0.210 0.000 2.679 295 R HA 0.121 4.465 4.340 0.006 0.000 0.268 295 R C 0.773 176.814 176.300 -0.431 0.000 1.044 295 R CA -0.730 55.151 56.100 -0.365 0.000 1.105 295 R CB 0.183 30.068 30.300 -0.691 0.000 0.989 295 R HN 0.386 nan 8.270 nan 0.000 0.447 296 L N 2.210 123.123 121.223 -0.516 0.000 2.103 296 L HA -0.276 4.068 4.340 0.006 0.000 0.215 296 L C 2.326 178.548 176.870 -1.081 0.000 1.080 296 L CA 2.304 56.639 54.840 -0.843 0.000 0.764 296 L CB -0.977 40.427 42.059 -1.093 0.000 0.890 296 L HN 0.869 nan 8.230 nan 0.000 0.435 297 K N -2.020 117.870 120.400 -0.850 0.000 2.288 297 K HA -0.076 4.247 4.320 0.006 0.000 0.201 297 K C 0.931 177.322 176.600 -0.348 0.000 1.048 297 K CA 1.425 57.413 56.287 -0.499 0.000 0.956 297 K CB -0.141 32.212 32.500 -0.245 0.000 0.746 297 K HN 0.279 nan 8.250 nan 0.000 0.461 298 D N 0.722 120.905 120.400 -0.363 0.000 2.407 298 D HA 0.155 4.799 4.640 0.006 0.000 0.208 298 D C 1.704 177.834 176.300 -0.284 0.000 1.083 298 D CA 0.459 54.307 54.000 -0.253 0.000 0.844 298 D CB 0.573 41.260 40.800 -0.188 0.000 0.967 298 D HN 0.290 nan 8.370 nan 0.000 0.506 299 A N 1.234 123.796 122.820 -0.431 0.000 1.884 299 A HA -0.239 4.084 4.320 0.006 0.000 0.219 299 A C 1.665 179.053 177.584 -0.327 0.000 1.197 299 A CA 1.415 53.169 52.037 -0.470 0.000 0.637 299 A CB -0.926 17.664 19.000 -0.682 0.000 0.827 299 A HN 0.138 nan 8.150 nan 0.000 0.450 300 F N 0.747 120.541 119.950 -0.261 0.000 2.558 300 F HA -0.017 4.513 4.527 0.006 0.000 0.298 300 F C 2.546 178.230 175.800 -0.194 0.000 1.119 300 F CA 0.469 58.319 58.000 -0.250 0.000 1.451 300 F CB -0.920 37.963 39.000 -0.195 0.000 1.091 300 F HN 0.383 nan 8.300 nan 0.000 0.563 301 S N 1.279 116.968 115.700 -0.020 0.000 2.400 301 S HA -0.037 4.436 4.470 0.006 0.000 0.170 301 S C 1.764 176.329 174.600 -0.059 0.000 0.917 301 S CA 0.287 58.466 58.200 -0.035 0.000 1.028 301 S CB -0.812 62.362 63.200 -0.042 0.000 0.810 301 S HN 0.373 nan 8.310 nan 0.000 0.504 302 K N 1.554 121.912 120.400 -0.070 0.000 2.486 302 K HA 0.183 4.507 4.320 0.006 0.000 0.194 302 K C 1.889 178.442 176.600 -0.079 0.000 1.033 302 K CA 0.925 57.176 56.287 -0.059 0.000 1.004 302 K CB -0.642 31.834 32.500 -0.040 0.000 0.798 302 K HN 0.468 nan 8.250 nan 0.000 0.495 303 G N 1.174 109.896 108.800 -0.131 0.000 2.464 303 G HA2 0.032 3.995 3.960 0.006 0.000 0.217 303 G HA3 0.032 3.995 3.960 0.006 0.000 0.217 303 G C 1.125 175.906 174.900 -0.198 0.000 1.138 303 G CA 0.408 45.399 45.100 -0.181 0.000 0.793 303 G HN 0.539 nan 8.290 nan 0.000 0.539 304 G N -0.862 107.831 108.800 -0.179 0.000 2.148 304 G HA2 -0.301 3.662 3.960 0.006 0.000 0.254 304 G HA3 -0.301 3.662 3.960 0.006 0.000 0.254 304 G C 0.283 174.938 174.900 -0.408 0.000 0.981 304 G CA 0.556 45.557 45.100 -0.164 0.000 0.670 304 G HN 0.825 nan 8.290 nan 0.000 0.528 305 Q N 0.636 120.032 119.800 -0.673 0.000 2.295 305 Q HA 0.429 4.772 4.340 0.006 0.000 0.259 305 Q C 1.174 176.757 176.000 -0.695 0.000 0.976 305 Q CA 0.070 55.075 55.803 -1.332 0.000 0.923 305 Q CB 0.250 28.297 28.738 -1.152 0.000 1.185 305 Q HN 0.453 nan 8.270 nan 0.000 0.410 306 N N 2.681 121.000 118.700 -0.634 0.000 2.200 306 N HA 0.195 4.938 4.740 0.006 0.000 0.224 306 N C -1.221 174.142 175.510 -0.246 0.000 1.179 306 N CA -0.097 52.745 53.050 -0.348 0.000 0.877 306 N CB 1.067 39.475 38.487 -0.131 0.000 1.072 306 N HN 0.350 nan 8.380 nan 0.000 0.519 307 A N 1.328 124.021 122.820 -0.212 0.000 2.422 307 A HA 0.639 4.962 4.320 0.006 0.000 0.302 307 A C -2.919 174.703 177.584 0.064 0.000 1.041 307 A CA -1.360 50.715 52.037 0.062 0.000 0.708 307 A CB 1.937 21.224 19.000 0.478 0.000 1.257 307 A HN 0.056 nan 8.150 nan 0.000 0.414 308 P HA 0.314 nan 4.420 nan 0.000 0.275 308 P C -0.043 177.465 177.300 0.347 0.000 1.227 308 P CA 0.329 63.517 63.100 0.146 0.000 0.781 308 P CB 1.176 32.839 31.700 -0.061 0.000 0.906 309 T N -0.839 113.888 114.554 0.290 0.000 2.938 309 T HA 0.264 4.617 4.350 0.006 0.000 0.285 309 T C 1.378 176.107 174.700 0.049 0.000 1.028 309 T CA -0.549 61.695 62.100 0.241 0.000 1.005 309 T CB 0.255 69.352 68.868 0.381 0.000 1.157 309 T HN 0.429 nan 8.240 nan 0.000 0.550 310 C N 0.666 119.919 119.300 -0.079 0.000 2.413 310 C HA 0.091 4.554 4.460 0.006 0.000 0.276 310 C C 3.283 178.354 174.990 0.135 0.000 1.236 310 C CA 0.939 59.965 59.018 0.012 0.000 1.735 310 C CB -1.982 25.753 27.740 -0.009 0.000 2.031 310 C HN 1.012 nan 8.230 nan 0.000 0.474 311 A N 0.855 123.750 122.820 0.125 0.000 1.898 311 A HA 0.154 4.478 4.320 0.006 0.000 0.216 311 A C 2.416 180.097 177.584 0.162 0.000 1.181 311 A CA 2.004 54.121 52.037 0.134 0.000 0.620 311 A CB -1.007 18.061 19.000 0.114 0.000 0.819 311 A HN 0.583 nan 8.150 nan 0.000 0.442 312 A N -0.856 122.056 122.820 0.154 0.000 1.883 312 A HA -0.223 4.101 4.320 0.006 0.000 0.217 312 A C 2.355 180.050 177.584 0.186 0.000 1.186 312 A CA 1.860 54.008 52.037 0.186 0.000 0.624 312 A CB -1.327 17.763 19.000 0.151 0.000 0.822 312 A HN 0.591 nan 8.150 nan 0.000 0.444 313 C N -1.747 117.611 119.300 0.097 0.000 2.462 313 C HA -0.031 4.432 4.460 0.006 0.000 0.278 313 C C 2.659 177.559 174.990 -0.150 0.000 1.253 313 C CA 1.033 60.051 59.018 -0.000 0.000 1.713 313 C CB -1.365 26.364 27.740 -0.018 0.000 2.049 313 C HN 0.678 nan 8.230 nan 0.000 0.477 314 H N -0.244 118.910 119.070 0.141 0.000 2.448 314 H HA 0.102 4.662 4.556 0.006 0.000 0.292 314 H C 2.258 177.571 175.328 -0.025 0.000 1.035 314 H CA 0.972 57.059 56.048 0.066 0.000 1.349 314 H CB -0.334 29.498 29.762 0.116 0.000 1.425 314 H HN 0.467 nan 8.280 nan 0.000 0.539 315 M N 0.367 120.037 119.600 0.117 0.000 2.394 315 M HA -0.022 4.461 4.480 0.006 0.000 0.264 315 M C 1.063 177.320 176.300 -0.072 0.000 1.073 315 M CA 0.618 55.973 55.300 0.091 0.000 1.111 315 M CB -0.103 32.624 32.600 0.211 0.000 1.401 315 M HN 0.115 nan 8.290 nan 0.000 0.448 316 E N -0.126 119.891 120.200 -0.306 0.000 2.343 316 E HA 0.021 4.374 4.350 0.006 0.000 0.269 316 E C -0.801 175.574 176.600 -0.375 0.000 1.047 316 E CA 0.113 56.071 56.400 -0.737 0.000 0.874 316 E CB 1.338 30.484 29.700 -0.925 0.000 1.033 316 E HN 0.154 nan 8.360 nan 0.000 0.409 317 Y N 2.456 122.460 120.300 -0.492 0.000 2.977 317 Y HA 0.194 4.747 4.550 0.006 0.000 0.130 317 Y C 0.032 175.734 175.900 -0.330 0.000 0.885 317 Y CA 0.058 57.929 58.100 -0.382 0.000 1.879 317 Y CB 0.534 38.825 38.460 -0.282 0.000 1.258 317 Y HN 0.389 nan 8.280 nan 0.000 0.284 318 E N 1.133 120.967 120.200 -0.610 0.000 3.012 318 E HA 0.365 4.718 4.350 0.006 0.000 0.228 318 E C 0.657 177.084 176.600 -0.288 0.000 1.184 318 E CA 0.326 56.400 56.400 -0.544 0.000 1.407 318 E CB 0.230 29.604 29.700 -0.544 0.000 1.438 318 E HN 0.840 nan 8.360 nan 0.000 0.435 319 G N 1.852 110.483 108.800 -0.282 0.000 2.299 319 G HA2 -0.312 3.651 3.960 0.006 0.000 0.237 319 G HA3 -0.312 3.651 3.960 0.006 0.000 0.237 319 G C 0.412 175.222 174.900 -0.151 0.000 1.027 319 G CA 0.462 45.453 45.100 -0.182 0.000 0.619 319 G HN 0.471 nan 8.290 nan 0.000 0.513 320 E N -0.332 119.777 120.200 -0.152 0.000 2.280 320 E HA 0.666 5.019 4.350 0.006 0.000 0.261 320 E C -1.049 175.449 176.600 -0.170 0.000 1.088 320 E CA -0.992 55.381 56.400 -0.046 0.000 0.915 320 E CB 1.048 30.749 29.700 0.002 0.000 1.141 320 E HN 0.341 nan 8.360 nan 0.000 0.433 321 Y N -0.085 120.197 120.300 -0.030 0.000 2.406 321 Y HA 0.374 4.927 4.550 0.005 0.000 0.340 321 Y C 0.092 176.005 175.900 0.021 0.000 0.975 321 Y CA -0.386 57.703 58.100 -0.018 0.000 1.056 321 Y CB 2.452 40.880 38.460 -0.053 0.000 1.210 321 Y HN 0.802 nan 8.280 nan 0.000 0.448 322 T N -2.924 111.732 114.554 0.170 0.000 2.716 322 T HA 0.304 4.658 4.350 0.006 0.000 0.286 322 T C -0.266 174.585 174.700 0.251 0.000 1.052 322 T CA -0.683 61.522 62.100 0.175 0.000 1.024 322 T CB 1.247 70.161 68.868 0.077 0.000 1.349 322 T HN 0.560 nan 8.240 nan 0.000 0.525 323 H N 0.170 119.267 119.070 0.045 0.000 2.526 323 H HA 0.416 4.975 4.556 0.005 0.000 0.274 323 H C 0.390 175.747 175.328 0.048 0.000 0.999 323 H CA -0.238 55.848 56.048 0.062 0.000 1.157 323 H CB -0.141 29.663 29.762 0.069 0.000 1.407 323 H HN 0.430 nan 8.280 nan 0.000 0.568 324 N N 1.845 120.602 118.700 0.096 0.000 2.462 324 N HA -0.006 4.737 4.740 0.006 0.000 0.242 324 N C 0.844 176.332 175.510 -0.037 0.000 1.010 324 N CA -0.097 52.955 53.050 0.004 0.000 0.939 324 N CB 0.404 38.852 38.487 -0.065 0.000 1.127 324 N HN 0.223 nan 8.380 nan 0.000 0.509 325 I N 0.873 121.427 120.570 -0.027 0.000 3.793 325 I HA 0.074 4.248 4.170 0.006 0.000 0.315 325 I C 0.493 176.553 176.117 -0.094 0.000 1.275 325 I CA 0.139 61.416 61.300 -0.039 0.000 1.214 325 I CB -1.488 36.499 38.000 -0.022 0.000 1.018 325 I HN 0.327 nan 8.210 nan 0.000 0.439 326 T N -0.532 113.940 114.554 -0.136 0.000 3.316 326 T HA 0.510 4.863 4.350 0.006 0.000 0.341 326 T C 0.615 175.168 174.700 -0.245 0.000 1.397 326 T CA -0.491 61.512 62.100 -0.162 0.000 1.085 326 T CB 0.966 69.745 68.868 -0.148 0.000 1.160 326 T HN 0.388 nan 8.240 nan 0.000 0.694 327 R N 0.452 120.791 120.500 -0.268 0.000 2.517 327 R HA 0.178 4.521 4.340 0.006 0.000 0.228 327 R C 0.923 177.029 176.300 -0.322 0.000 0.950 327 R CA -0.101 55.740 56.100 -0.432 0.000 1.314 327 R CB 0.567 30.395 30.300 -0.788 0.000 1.739 327 R HN 0.302 nan 8.270 nan 0.000 0.481 328 K N 0.758 121.053 120.400 -0.175 0.000 2.506 328 K HA 0.221 4.544 4.320 0.006 0.000 0.204 328 K C -0.589 176.145 176.600 0.223 0.000 1.045 328 K CA 0.042 56.265 56.287 -0.107 0.000 1.074 328 K CB 1.849 34.026 32.500 -0.537 0.000 0.842 328 K HN -0.092 nan 8.250 nan 0.000 0.514 329 T N 1.258 115.873 114.554 0.102 0.000 2.870 329 T HA 0.208 4.562 4.350 0.006 0.000 0.300 329 T C 0.952 175.810 174.700 0.263 0.000 0.989 329 T CA 0.064 62.309 62.100 0.242 0.000 1.139 329 T CB 1.374 70.349 68.868 0.178 0.000 0.920 329 T HN 0.209 nan 8.240 nan 0.000 0.537 330 R N 1.358 122.101 120.500 0.405 0.000 2.580 330 R HA 0.142 4.485 4.340 0.006 0.000 0.169 330 R C -0.238 176.281 176.300 0.365 0.000 1.399 330 R CA -0.234 56.094 56.100 0.380 0.000 1.206 330 R CB 0.250 30.672 30.300 0.203 0.000 1.215 330 R HN 0.486 nan 8.270 nan 0.000 0.486 331 W N 1.635 123.100 121.300 0.275 0.000 2.335 331 W HA 0.418 5.081 4.660 0.005 0.000 0.306 331 W C 0.046 176.665 176.519 0.167 0.000 1.216 331 W CA -0.498 56.900 57.345 0.089 0.000 1.237 331 W CB 1.098 30.366 29.460 -0.320 0.000 1.243 331 W HN 0.314 nan 8.180 nan 0.000 0.493 332 A N 4.399 127.428 122.820 0.348 0.000 3.168 332 A HA 0.145 4.468 4.320 0.006 0.000 0.260 332 A C 1.221 178.868 177.584 0.105 0.000 1.598 332 A CA 0.477 52.630 52.037 0.193 0.000 1.285 332 A CB -0.891 18.067 19.000 -0.070 0.000 1.149 332 A HN 0.942 nan 8.150 nan 0.000 0.630 333 N N -0.924 117.878 118.700 0.170 0.000 3.158 333 N HA -0.273 4.470 4.740 0.006 0.000 0.224 333 N C -0.607 174.890 175.510 -0.022 0.000 0.158 333 N CA 2.052 55.129 53.050 0.044 0.000 3.883 333 N CB -1.225 37.064 38.487 -0.329 0.000 1.031 333 N HN 0.501 nan 8.380 nan 0.000 0.236 334 Y N 2.348 122.754 120.300 0.177 0.000 2.531 334 Y HA 0.280 4.833 4.550 0.005 0.000 0.347 334 Y C -1.505 174.350 175.900 -0.076 0.000 1.024 334 Y CA -1.445 56.677 58.100 0.037 0.000 1.306 334 Y CB 0.715 39.062 38.460 -0.187 0.000 1.149 334 Y HN 0.288 nan 8.280 nan 0.000 0.527 335 P HA -0.124 nan 4.420 nan 0.000 0.225 335 P C 1.131 178.551 177.300 0.199 0.000 1.156 335 P CA 0.984 64.171 63.100 0.145 0.000 0.787 335 P CB -0.023 31.629 31.700 -0.081 0.000 0.802 336 F N -1.802 118.229 119.950 0.136 0.000 2.558 336 F HA 0.114 4.644 4.527 0.005 0.000 0.298 336 F C 0.540 176.389 175.800 0.083 0.000 1.119 336 F CA -0.334 57.724 58.000 0.096 0.000 1.451 336 F CB -1.615 37.345 39.000 -0.066 0.000 1.091 336 F HN -0.403 nan 8.300 nan 0.000 0.563 337 V N 4.924 124.498 119.914 -0.566 0.000 2.644 337 V HA -0.015 4.109 4.120 0.006 0.000 0.305 337 V C -1.547 174.434 176.094 -0.188 0.000 1.053 337 V CA -1.401 60.636 62.300 -0.438 0.000 1.186 337 V CB -0.233 31.312 31.823 -0.464 0.000 0.895 337 V HN 0.114 nan 8.190 nan 0.000 0.490 338 P HA 0.131 nan 4.420 nan 0.000 0.265 338 P C 0.905 178.116 177.300 -0.148 0.000 1.193 338 P CA 1.183 64.223 63.100 -0.099 0.000 0.765 338 P CB 0.868 32.509 31.700 -0.098 0.000 0.823 339 G N 3.059 111.804 108.800 -0.091 0.000 2.336 339 G HA2 -0.301 3.662 3.960 0.006 0.000 0.233 339 G HA3 -0.301 3.662 3.960 0.006 0.000 0.233 339 G C 1.030 175.862 174.900 -0.112 0.000 1.053 339 G CA 0.228 45.264 45.100 -0.108 0.000 0.625 339 G HN 0.421 nan 8.290 nan 0.000 0.511 340 I N 2.005 122.502 120.570 -0.121 0.000 2.069 340 I HA -0.163 4.011 4.170 0.006 0.000 0.237 340 I C 3.406 179.410 176.117 -0.187 0.000 1.053 340 I CA 2.549 63.772 61.300 -0.128 0.000 1.311 340 I CB -1.795 36.185 38.000 -0.034 0.000 1.030 340 I HN 0.496 nan 8.210 nan 0.000 0.398 341 A N 0.373 123.158 122.820 -0.057 0.000 1.948 341 A HA -0.242 4.081 4.320 0.006 0.000 0.220 341 A C 2.170 179.714 177.584 -0.065 0.000 1.177 341 A CA 2.051 54.069 52.037 -0.031 0.000 0.636 341 A CB -0.682 18.432 19.000 0.191 0.000 0.815 341 A HN 0.490 nan 8.150 nan 0.000 0.449 342 E N -0.459 119.716 120.200 -0.043 0.000 2.106 342 E HA -0.157 4.196 4.350 0.006 0.000 0.192 342 E C 1.880 178.445 176.600 -0.058 0.000 0.984 342 E CA 1.304 57.684 56.400 -0.034 0.000 0.806 342 E CB -0.291 29.393 29.700 -0.026 0.000 0.750 342 E HN 0.769 nan 8.360 nan 0.000 0.458 343 N N 0.074 118.718 118.700 -0.092 0.000 2.409 343 N HA -0.082 4.661 4.740 0.006 0.000 0.179 343 N C 1.260 176.737 175.510 -0.056 0.000 1.032 343 N CA 0.397 53.397 53.050 -0.083 0.000 0.898 343 N CB 0.056 38.474 38.487 -0.115 0.000 0.971 343 N HN 0.003 nan 8.380 nan 0.000 0.441 344 I N 0.815 121.292 120.570 -0.155 0.000 2.399 344 I HA -0.226 3.947 4.170 0.006 0.000 0.254 344 I C 1.432 177.528 176.117 -0.034 0.000 1.146 344 I CA 1.459 62.651 61.300 -0.180 0.000 1.412 344 I CB -1.687 36.081 38.000 -0.386 0.000 1.076 344 I HN 0.396 nan 8.210 nan 0.000 0.432 345 T N -2.376 112.173 114.554 -0.008 0.000 3.122 345 T HA 0.144 4.497 4.350 0.006 0.000 0.250 345 T C 0.863 175.592 174.700 0.047 0.000 1.067 345 T CA -0.085 62.030 62.100 0.025 0.000 0.966 345 T CB -0.436 68.444 68.868 0.020 0.000 1.002 345 T HN 0.342 nan 8.240 nan 0.000 0.542 346 S N 0.993 116.734 115.700 0.070 0.000 2.614 346 S HA 0.227 4.701 4.470 0.006 0.000 0.265 346 S C 0.565 175.249 174.600 0.139 0.000 1.303 346 S CA -0.597 57.662 58.200 0.098 0.000 1.000 346 S CB 0.894 64.157 63.200 0.107 0.000 0.935 346 S HN 0.041 nan 8.310 nan 0.000 0.551 347 D N 0.426 120.905 120.400 0.132 0.000 2.092 347 D HA -0.124 4.519 4.640 0.006 0.000 0.193 347 D C 1.392 177.795 176.300 0.172 0.000 0.994 347 D CA 1.449 55.521 54.000 0.120 0.000 0.828 347 D CB -0.526 40.334 40.800 0.100 0.000 0.963 347 D HN 0.836 nan 8.370 nan 0.000 0.450 348 W N 1.649 122.948 121.300 -0.001 0.000 2.290 348 W HA -0.302 4.361 4.660 0.005 0.000 0.318 348 W C 2.511 179.026 176.519 -0.005 0.000 1.248 348 W CA 2.506 59.846 57.345 -0.009 0.000 1.263 348 W CB -0.218 29.236 29.460 -0.010 0.000 1.147 348 W HN -0.145 nan 8.180 nan 0.000 0.494 349 S N -0.026 115.957 115.700 0.472 0.000 2.414 349 S HA -0.137 4.337 4.470 0.006 0.000 0.227 349 S C 1.479 176.140 174.600 0.102 0.000 1.022 349 S CA 1.214 59.588 58.200 0.290 0.000 0.958 349 S CB -0.317 63.066 63.200 0.304 0.000 0.797 349 S HN 0.260 nan 8.310 nan 0.000 0.493 350 E N 1.756 122.012 120.200 0.093 0.000 2.150 350 E HA 0.037 4.390 4.350 0.006 0.000 0.193 350 E C 2.217 178.829 176.600 0.021 0.000 0.985 350 E CA 0.889 57.323 56.400 0.057 0.000 0.814 350 E CB -0.436 29.297 29.700 0.054 0.000 0.752 350 E HN 0.474 nan 8.360 nan 0.000 0.466 351 A N 1.506 124.316 122.820 -0.017 0.000 1.855 351 A HA -0.155 4.168 4.320 0.006 0.000 0.215 351 A C 2.152 179.682 177.584 -0.090 0.000 1.191 351 A CA 1.287 53.285 52.037 -0.065 0.000 0.613 351 A CB -0.467 18.471 19.000 -0.104 0.000 0.829 351 A HN 0.111 nan 8.150 nan 0.000 0.442 352 R N -1.040 119.371 120.500 -0.148 0.000 2.200 352 R HA -0.100 4.243 4.340 0.006 0.000 0.234 352 R C 1.928 178.270 176.300 0.070 0.000 1.127 352 R CA 1.173 57.200 56.100 -0.121 0.000 0.989 352 R CB -0.454 29.695 30.300 -0.251 0.000 0.869 352 R HN 0.486 nan 8.270 nan 0.000 0.459 353 L N 1.070 122.354 121.223 0.102 0.000 2.072 353 L HA -0.091 4.253 4.340 0.006 0.000 0.205 353 L C 1.215 178.174 176.870 0.148 0.000 1.079 353 L CA 1.887 56.840 54.840 0.189 0.000 0.752 353 L CB -0.301 41.834 42.059 0.126 0.000 0.906 353 L HN -0.025 nan 8.230 nan 0.000 0.436 354 D N -0.802 119.628 120.400 0.051 0.000 2.117 354 D HA -0.144 4.499 4.640 0.006 0.000 0.197 354 D C 2.291 178.569 176.300 -0.035 0.000 0.987 354 D CA 1.462 55.468 54.000 0.010 0.000 0.829 354 D CB -0.147 40.636 40.800 -0.029 0.000 0.961 354 D HN 0.295 nan 8.370 nan 0.000 0.460 355 S N -0.306 115.328 115.700 -0.109 0.000 2.383 355 S HA -0.172 4.301 4.470 0.006 0.000 0.229 355 S C 1.763 176.220 174.600 -0.238 0.000 1.030 355 S CA 0.839 58.878 58.200 -0.270 0.000 1.002 355 S CB -0.378 62.613 63.200 -0.348 0.000 0.829 355 S HN 0.444 nan 8.310 nan 0.000 0.467 356 W N 1.021 122.296 121.300 -0.042 0.000 2.418 356 W HA -0.011 4.652 4.660 0.005 0.000 0.292 356 W C 2.224 178.743 176.519 -0.001 0.000 1.213 356 W CA 0.193 57.532 57.345 -0.010 0.000 1.283 356 W CB -0.486 28.991 29.460 0.028 0.000 1.119 356 W HN 0.018 nan 8.180 nan 0.000 0.542 357 V N 0.543 120.594 119.914 0.228 0.000 2.392 357 V HA -0.326 3.798 4.120 0.006 0.000 0.249 357 V C 2.058 178.212 176.094 0.100 0.000 1.059 357 V CA 1.547 63.940 62.300 0.155 0.000 1.051 357 V CB -1.104 30.781 31.823 0.103 0.000 0.658 357 V HN 0.134 nan 8.190 nan 0.000 0.455 358 L N 0.088 121.327 121.223 0.027 0.000 1.989 358 L HA -0.203 4.141 4.340 0.006 0.000 0.211 358 L C 2.596 179.464 176.870 -0.004 0.000 1.071 358 L CA 2.640 57.461 54.840 -0.031 0.000 0.749 358 L CB -0.878 41.101 42.059 -0.133 0.000 0.890 358 L HN 0.353 nan 8.230 nan 0.000 0.431 359 T N -1.402 113.154 114.554 0.002 0.000 2.720 359 T HA -0.228 4.125 4.350 0.006 0.000 0.268 359 T C 1.907 176.680 174.700 0.122 0.000 1.037 359 T CA 1.688 63.816 62.100 0.046 0.000 1.144 359 T CB -0.705 68.197 68.868 0.056 0.000 0.864 359 T HN 0.510 nan 8.240 nan 0.000 0.444 360 C N 2.060 121.465 119.300 0.177 0.000 2.457 360 C HA -0.018 4.446 4.460 0.006 0.000 0.278 360 C C 2.986 178.066 174.990 0.149 0.000 1.309 360 C CA 1.015 60.155 59.018 0.203 0.000 1.735 360 C CB -1.630 26.271 27.740 0.269 0.000 1.992 360 C HN 0.727 nan 8.230 nan 0.000 0.493 361 T N -0.618 114.003 114.554 0.112 0.000 3.155 361 T HA -0.120 4.233 4.350 0.006 0.000 0.264 361 T C 1.313 176.015 174.700 0.004 0.000 1.160 361 T CA 0.863 63.004 62.100 0.068 0.000 1.075 361 T CB -0.571 68.333 68.868 0.060 0.000 0.921 361 T HN 0.657 nan 8.240 nan 0.000 0.533 362 Q N -0.557 119.236 119.800 -0.012 0.000 2.436 362 Q HA 0.066 4.409 4.340 0.006 0.000 0.209 362 Q C 1.623 177.530 176.000 -0.155 0.000 0.965 362 Q CA 0.966 56.746 55.803 -0.038 0.000 0.910 362 Q CB -0.140 28.627 28.738 0.049 0.000 0.980 362 Q HN 0.733 nan 8.270 nan 0.000 0.491 363 C N -2.007 117.164 119.300 -0.215 0.000 2.794 363 C HA 0.225 4.688 4.460 0.006 0.000 0.443 363 C C 0.991 175.778 174.990 -0.339 0.000 1.484 363 C CA -0.517 58.282 59.018 -0.364 0.000 2.501 363 C CB -0.362 27.028 27.740 -0.583 0.000 2.715 363 C HN 0.376 nan 8.230 nan 0.000 0.570 364 H N 2.079 121.085 119.070 -0.107 0.000 2.544 364 H HA 0.371 4.931 4.556 0.006 0.000 0.365 364 H C 0.446 175.755 175.328 -0.031 0.000 1.268 364 H CA 0.872 56.849 56.048 -0.119 0.000 1.400 364 H CB 0.593 30.309 29.762 -0.077 0.000 1.538 364 H HN 0.458 nan 8.280 nan 0.000 0.597 365 S N -0.554 115.232 115.700 0.142 0.000 2.617 365 S HA 0.026 4.499 4.470 0.006 0.000 0.269 365 S C 1.211 175.916 174.600 0.175 0.000 1.292 365 S CA -0.663 57.609 58.200 0.120 0.000 1.010 365 S CB 1.663 64.923 63.200 0.100 0.000 0.944 365 S HN 0.795 nan 8.310 nan 0.000 0.536 366 E N 1.035 121.308 120.200 0.122 0.000 2.153 366 E HA -0.186 4.168 4.350 0.006 0.000 0.194 366 E C 2.189 178.864 176.600 0.125 0.000 0.988 366 E CA 0.750 57.220 56.400 0.117 0.000 0.811 366 E CB -0.055 29.690 29.700 0.074 0.000 0.746 366 E HN 0.737 nan 8.360 nan 0.000 0.466 367 R N -0.405 120.169 120.500 0.123 0.000 2.080 367 R HA -0.185 4.159 4.340 0.006 0.000 0.236 367 R C 2.284 178.668 176.300 0.140 0.000 1.137 367 R CA 1.793 57.959 56.100 0.109 0.000 0.943 367 R CB -0.437 29.925 30.300 0.104 0.000 0.846 367 R HN 0.242 nan 8.270 nan 0.000 0.431 368 F N 0.916 120.886 119.950 0.033 0.000 2.102 368 F HA -0.160 4.370 4.527 0.005 0.000 0.298 368 F C 2.184 177.992 175.800 0.014 0.000 1.105 368 F CA 1.601 59.609 58.000 0.013 0.000 1.239 368 F CB -0.541 38.455 39.000 -0.007 0.000 0.991 368 F HN 0.113 nan 8.300 nan 0.000 0.474 369 A N 0.693 123.699 122.820 0.310 0.000 1.892 369 A HA -0.243 4.080 4.320 0.006 0.000 0.218 369 A C 2.340 179.983 177.584 0.098 0.000 1.188 369 A CA 2.053 54.216 52.037 0.211 0.000 0.631 369 A CB -0.790 18.344 19.000 0.224 0.000 0.822 369 A HN 0.492 nan 8.150 nan 0.000 0.447 370 R N -0.572 119.973 120.500 0.076 0.000 2.115 370 R HA -0.026 4.318 4.340 0.006 0.000 0.226 370 R C 2.495 178.785 176.300 -0.017 0.000 1.100 370 R CA 1.237 57.360 56.100 0.039 0.000 0.980 370 R CB -0.330 29.996 30.300 0.043 0.000 0.875 370 R HN 0.510 nan 8.270 nan 0.000 0.445 371 S N 0.309 115.972 115.700 -0.061 0.000 2.370 371 S HA -0.194 4.279 4.470 0.006 0.000 0.226 371 S C 1.552 176.056 174.600 -0.160 0.000 1.033 371 S CA 1.295 59.422 58.200 -0.122 0.000 1.011 371 S CB -0.299 62.792 63.200 -0.182 0.000 0.852 371 S HN 0.372 nan 8.310 nan 0.000 0.457 372 Y N 1.940 122.062 120.300 -0.297 0.000 2.153 372 Y HA 0.040 4.593 4.550 0.005 0.000 0.289 372 Y C 1.959 177.744 175.900 -0.191 0.000 1.127 372 Y CA 1.116 59.051 58.100 -0.276 0.000 1.131 372 Y CB -0.394 37.872 38.460 -0.323 0.000 0.995 372 Y HN 0.103 nan 8.280 nan 0.000 0.505 373 L N 0.158 121.372 121.223 -0.015 0.000 2.081 373 L HA -0.283 4.060 4.340 0.006 0.000 0.212 373 L C 2.126 178.932 176.870 -0.108 0.000 1.080 373 L CA 1.954 56.769 54.840 -0.042 0.000 0.754 373 L CB -0.709 41.375 42.059 0.041 0.000 0.893 373 L HN 0.310 nan 8.230 nan 0.000 0.433 374 D N 0.397 120.732 120.400 -0.108 0.000 2.104 374 D HA -0.260 4.383 4.640 0.006 0.000 0.194 374 D C 2.285 178.482 176.300 -0.172 0.000 0.994 374 D CA 1.147 55.091 54.000 -0.093 0.000 0.830 374 D CB -0.043 40.709 40.800 -0.080 0.000 0.959 374 D HN 0.272 nan 8.370 nan 0.000 0.452 375 L N -0.197 120.843 121.223 -0.304 0.000 2.127 375 L HA -0.139 4.204 4.340 0.006 0.000 0.211 375 L C 2.287 178.853 176.870 -0.506 0.000 1.089 375 L CA 1.185 55.776 54.840 -0.415 0.000 0.757 375 L CB -0.315 41.409 42.059 -0.558 0.000 0.899 375 L HN 0.297 nan 8.230 nan 0.000 0.434 376 M N -0.300 118.985 119.600 -0.524 0.000 2.064 376 M HA -0.219 4.265 4.480 0.006 0.000 0.260 376 M C 1.708 177.864 176.300 -0.239 0.000 1.073 376 M CA 2.279 57.307 55.300 -0.454 0.000 1.124 376 M CB -0.306 32.108 32.600 -0.312 0.000 1.326 376 M HN 0.254 nan 8.290 nan 0.000 0.410 377 D N 0.675 121.066 120.400 -0.015 0.000 2.123 377 D HA -0.164 4.479 4.640 0.006 0.000 0.196 377 D C 1.937 178.291 176.300 0.090 0.000 0.992 377 D CA 1.451 55.592 54.000 0.236 0.000 0.833 377 D CB -0.361 40.649 40.800 0.351 0.000 0.954 377 D HN 0.472 nan 8.370 nan 0.000 0.455 378 K N 0.337 120.722 120.400 -0.025 0.000 2.001 378 K HA -0.041 4.283 4.320 0.006 0.000 0.208 378 K C 2.286 178.808 176.600 -0.130 0.000 1.048 378 K CA 1.174 57.429 56.287 -0.053 0.000 0.932 378 K CB -0.419 32.033 32.500 -0.080 0.000 0.715 378 K HN 0.106 nan 8.250 nan 0.000 0.437 379 G N 0.671 109.323 108.800 -0.246 0.000 2.450 379 G HA2 -0.250 3.713 3.960 0.006 0.000 0.220 379 G HA3 -0.250 3.713 3.960 0.006 0.000 0.220 379 G C 1.450 176.198 174.900 -0.253 0.000 1.130 379 G CA 1.368 46.281 45.100 -0.313 0.000 0.760 379 G HN 0.235 nan 8.290 nan 0.000 0.557 380 T N 1.090 115.472 114.554 -0.286 0.000 2.812 380 T HA 0.042 4.395 4.350 0.006 0.000 0.264 380 T C 2.408 176.986 174.700 -0.202 0.000 1.042 380 T CA 0.622 62.508 62.100 -0.357 0.000 1.140 380 T CB -0.147 68.213 68.868 -0.847 0.000 0.870 380 T HN 0.154 nan 8.240 nan 0.000 0.445 381 L N 0.791 121.970 121.223 -0.074 0.000 2.141 381 L HA -0.074 4.269 4.340 0.006 0.000 0.209 381 L C 2.640 179.552 176.870 0.071 0.000 1.094 381 L CA 1.328 56.213 54.840 0.076 0.000 0.763 381 L CB -0.563 41.584 42.059 0.148 0.000 0.908 381 L HN 0.365 nan 8.230 nan 0.000 0.437 382 E N -0.047 120.163 120.200 0.017 0.000 2.150 382 E HA -0.144 4.209 4.350 0.006 0.000 0.193 382 E C 2.210 178.920 176.600 0.183 0.000 0.985 382 E CA 1.006 57.427 56.400 0.036 0.000 0.814 382 E CB -0.233 29.403 29.700 -0.107 0.000 0.752 382 E HN 0.550 nan 8.360 nan 0.000 0.466 383 G N 1.245 110.154 108.800 0.183 0.000 2.430 383 G HA2 -0.178 3.785 3.960 0.006 0.000 0.216 383 G HA3 -0.178 3.785 3.960 0.006 0.000 0.216 383 G C 1.552 176.617 174.900 0.275 0.000 1.146 383 G CA 0.140 45.455 45.100 0.358 0.000 0.793 383 G HN 0.116 nan 8.290 nan 0.000 0.537 384 L N 1.381 122.724 121.223 0.201 0.000 2.027 384 L HA 0.241 4.585 4.340 0.006 0.000 0.206 384 L C 3.005 180.033 176.870 0.264 0.000 1.074 384 L CA 2.091 57.079 54.840 0.247 0.000 0.745 384 L CB -0.677 41.511 42.059 0.214 0.000 0.898 384 L HN 0.193 nan 8.230 nan 0.000 0.433 385 A N -0.464 122.476 122.820 0.200 0.000 1.908 385 A HA -0.280 4.044 4.320 0.006 0.000 0.218 385 A C 2.352 180.020 177.584 0.140 0.000 1.181 385 A CA 2.055 54.185 52.037 0.155 0.000 0.627 385 A CB -0.647 18.429 19.000 0.127 0.000 0.818 385 A HN 0.448 nan 8.150 nan 0.000 0.445 386 K N -1.069 119.436 120.400 0.174 0.000 2.026 386 K HA -0.188 4.136 4.320 0.006 0.000 0.208 386 K C 1.819 178.481 176.600 0.103 0.000 1.048 386 K CA 1.883 58.218 56.287 0.080 0.000 0.929 386 K CB -0.700 31.816 32.500 0.027 0.000 0.713 386 K HN 0.516 nan 8.250 nan 0.000 0.439 387 Y N 1.550 121.887 120.300 0.061 0.000 2.165 387 Y HA -0.227 4.326 4.550 0.006 0.000 0.286 387 Y C 1.808 177.749 175.900 0.069 0.000 1.155 387 Y CA 2.002 60.135 58.100 0.055 0.000 1.164 387 Y CB -0.308 38.188 38.460 0.060 0.000 0.978 387 Y HN 0.238 nan 8.280 nan 0.000 0.513 388 Q N -0.072 119.678 119.800 -0.084 0.000 2.124 388 Q HA -0.251 4.093 4.340 0.006 0.000 0.202 388 Q C 2.238 178.171 176.000 -0.112 0.000 0.977 388 Q CA 1.847 57.559 55.803 -0.151 0.000 0.850 388 Q CB -0.292 28.461 28.738 0.025 0.000 0.901 388 Q HN 0.675 nan 8.270 nan 0.000 0.429 389 E N 0.557 120.747 120.200 -0.016 0.000 2.077 389 E HA -0.194 4.159 4.350 0.006 0.000 0.193 389 E C 1.907 178.529 176.600 0.037 0.000 0.989 389 E CA 1.031 57.459 56.400 0.047 0.000 0.800 389 E CB -0.042 29.731 29.700 0.122 0.000 0.746 389 E HN 0.340 nan 8.360 nan 0.000 0.452 390 A N 1.185 124.031 122.820 0.043 0.000 1.897 390 A HA -0.166 4.157 4.320 0.006 0.000 0.215 390 A C 2.065 179.565 177.584 -0.141 0.000 1.181 390 A CA 1.336 53.361 52.037 -0.019 0.000 0.620 390 A CB -0.702 18.342 19.000 0.074 0.000 0.821 390 A HN 0.358 nan 8.150 nan 0.000 0.443 391 N N 0.269 118.791 118.700 -0.297 0.000 2.309 391 N HA -0.115 4.628 4.740 0.006 0.000 0.182 391 N C 1.880 177.338 175.510 -0.086 0.000 1.018 391 N CA 1.095 53.981 53.050 -0.275 0.000 0.876 391 N CB -0.130 37.978 38.487 -0.632 0.000 0.972 391 N HN 0.398 nan 8.380 nan 0.000 0.434 392 A N 1.522 124.283 122.820 -0.099 0.000 1.877 392 A HA -0.103 4.220 4.320 0.006 0.000 0.216 392 A C 2.221 179.757 177.584 -0.080 0.000 1.186 392 A CA 0.892 52.901 52.037 -0.047 0.000 0.620 392 A CB -0.575 18.396 19.000 -0.048 0.000 0.822 392 A HN 0.293 nan 8.150 nan 0.000 0.443 393 I N -0.282 120.202 120.570 -0.143 0.000 2.099 393 I HA -0.227 3.947 4.170 0.006 0.000 0.239 393 I C 2.293 178.276 176.117 -0.223 0.000 1.066 393 I CA 1.499 62.633 61.300 -0.277 0.000 1.324 393 I CB -0.566 37.205 38.000 -0.382 0.000 1.037 393 I HN 0.148 nan 8.210 nan 0.000 0.401 394 V N 0.208 120.063 119.914 -0.098 0.000 2.594 394 V HA -0.278 3.845 4.120 0.006 0.000 0.253 394 V C 2.445 178.617 176.094 0.129 0.000 1.069 394 V CA 1.926 64.256 62.300 0.051 0.000 1.082 394 V CB -1.068 30.841 31.823 0.144 0.000 0.680 394 V HN 0.455 nan 8.190 nan 0.000 0.469 395 H N 1.528 120.559 119.070 -0.066 0.000 2.470 395 H HA -0.066 4.493 4.556 0.006 0.000 0.289 395 H C 2.230 177.411 175.328 -0.244 0.000 1.033 395 H CA 1.730 57.596 56.048 -0.303 0.000 1.331 395 H CB 0.030 29.688 29.762 -0.174 0.000 1.414 395 H HN 0.595 nan 8.280 nan 0.000 0.545 396 K N -0.250 120.037 120.400 -0.190 0.000 2.062 396 K HA -0.098 4.225 4.320 0.006 0.000 0.205 396 K C 2.066 178.575 176.600 -0.151 0.000 1.051 396 K CA 1.394 57.552 56.287 -0.215 0.000 0.941 396 K CB -0.274 32.138 32.500 -0.148 0.000 0.719 396 K HN 0.207 nan 8.250 nan 0.000 0.440 397 M N 0.495 120.045 119.600 -0.084 0.000 2.082 397 M HA -0.229 4.254 4.480 0.006 0.000 0.258 397 M C 2.414 178.697 176.300 -0.029 0.000 1.071 397 M CA 2.179 57.475 55.300 -0.007 0.000 1.103 397 M CB -0.674 31.961 32.600 0.059 0.000 1.307 397 M HN 0.211 nan 8.290 nan 0.000 0.409 398 Y N 1.122 121.318 120.300 -0.172 0.000 2.193 398 Y HA -0.266 4.288 4.550 0.006 0.000 0.285 398 Y C 2.121 177.899 175.900 -0.203 0.000 1.166 398 Y CA 1.968 59.946 58.100 -0.202 0.000 1.181 398 Y CB -0.292 37.846 38.460 -0.536 0.000 0.976 398 Y HN 0.282 nan 8.280 nan 0.000 0.520 399 E N -0.380 119.631 120.200 -0.314 0.000 2.077 399 E HA -0.203 4.150 4.350 0.006 0.000 0.193 399 E C 1.509 177.948 176.600 -0.269 0.000 0.989 399 E CA 1.305 57.504 56.400 -0.335 0.000 0.800 399 E CB -0.102 29.411 29.700 -0.312 0.000 0.746 399 E HN 0.570 nan 8.360 nan 0.000 0.452 400 D N -0.863 119.420 120.400 -0.194 0.000 2.312 400 D HA -0.021 4.622 4.640 0.006 0.000 0.211 400 D C 1.140 177.355 176.300 -0.141 0.000 0.964 400 D CA 1.034 54.955 54.000 -0.132 0.000 0.877 400 D CB 0.156 40.912 40.800 -0.073 0.000 0.924 400 D HN 0.322 nan 8.370 nan 0.000 0.515 401 G N 0.681 109.360 108.800 -0.201 0.000 2.160 401 G HA2 -0.295 3.669 3.960 0.006 0.000 0.244 401 G HA3 -0.295 3.669 3.960 0.006 0.000 0.244 401 G C 0.967 175.820 174.900 -0.078 0.000 1.022 401 G CA 0.899 45.887 45.100 -0.186 0.000 0.741 401 G HN 0.401 nan 8.290 nan 0.000 0.508 402 T N -1.363 113.168 114.554 -0.039 0.000 3.107 402 T HA 0.529 4.882 4.350 0.006 0.000 0.249 402 T C 1.243 175.971 174.700 0.047 0.000 1.096 402 T CA -0.097 62.008 62.100 0.008 0.000 1.012 402 T CB 0.445 69.328 68.868 0.024 0.000 0.977 402 T HN 0.461 nan 8.240 nan 0.000 0.527 403 L N 2.150 123.417 121.223 0.073 0.000 2.452 403 L HA 0.223 4.566 4.340 0.006 0.000 0.267 403 L C 0.668 177.586 176.870 0.080 0.000 1.188 403 L CA -0.514 54.394 54.840 0.112 0.000 0.821 403 L CB 0.053 42.231 42.059 0.198 0.000 1.102 403 L HN 0.071 nan 8.230 nan 0.000 0.470 404 T N 1.936 116.532 114.554 0.070 0.000 2.871 404 T HA 0.126 4.479 4.350 0.006 0.000 0.296 404 T C 1.109 175.838 174.700 0.048 0.000 0.998 404 T CA 0.990 63.118 62.100 0.046 0.000 1.162 404 T CB 0.436 69.323 68.868 0.033 0.000 0.947 404 T HN 1.011 nan 8.240 nan 0.000 0.536 405 G N 3.137 111.959 108.800 0.036 0.000 2.175 405 G HA2 -0.383 3.580 3.960 0.006 0.000 0.265 405 G HA3 -0.383 3.580 3.960 0.006 0.000 0.265 405 G C 0.864 175.795 174.900 0.052 0.000 0.979 405 G CA 0.919 46.041 45.100 0.036 0.000 0.663 405 G HN 0.783 nan 8.290 nan 0.000 0.533 406 Q N 0.299 120.138 119.800 0.065 0.000 2.234 406 Q HA -0.172 4.171 4.340 0.006 0.000 0.206 406 Q C 2.423 178.454 176.000 0.052 0.000 0.980 406 Q CA 1.899 57.752 55.803 0.083 0.000 0.869 406 Q CB -0.075 28.710 28.738 0.079 0.000 0.912 406 Q HN 0.661 nan 8.270 nan 0.000 0.436 407 K N -1.706 118.711 120.400 0.028 0.000 2.435 407 K HA 0.086 4.410 4.320 0.006 0.000 0.199 407 K C 1.566 178.179 176.600 0.021 0.000 1.153 407 K CA 1.084 57.380 56.287 0.016 0.000 0.974 407 K CB 0.095 32.592 32.500 -0.004 0.000 0.997 407 K HN 0.200 nan 8.250 nan 0.000 0.547 408 T N -1.826 112.742 114.554 0.023 0.000 3.000 408 T HA 0.142 4.495 4.350 0.006 0.000 0.248 408 T C 0.688 175.405 174.700 0.028 0.000 1.034 408 T CA 0.228 62.341 62.100 0.021 0.000 1.060 408 T CB -0.091 68.785 68.868 0.014 0.000 0.983 408 T HN 0.116 nan 8.240 nan 0.000 0.482 409 N N 0.993 119.713 118.700 0.034 0.000 2.664 409 N HA 0.235 4.979 4.740 0.006 0.000 0.287 409 N C -0.849 174.692 175.510 0.051 0.000 1.869 409 N CA -0.402 52.669 53.050 0.036 0.000 0.832 409 N CB 0.531 39.030 38.487 0.020 0.000 1.293 409 N HN 0.261 nan 8.380 nan 0.000 0.498 410 R N 1.414 121.958 120.500 0.074 0.000 2.587 410 R HA 0.428 4.771 4.340 0.006 0.000 0.283 410 R C -2.491 173.893 176.300 0.141 0.000 1.472 410 R CA -1.509 54.656 56.100 0.108 0.000 1.578 410 R CB 0.440 30.815 30.300 0.125 0.000 1.130 410 R HN 0.120 nan 8.270 nan 0.000 0.602 411 P HA 0.011 nan 4.420 nan 0.000 0.264 411 P C -0.806 176.685 177.300 0.318 0.000 1.193 411 P CA -0.081 63.153 63.100 0.222 0.000 0.763 411 P CB 0.480 32.327 31.700 0.245 0.000 0.810 412 N N 4.188 122.995 118.700 0.179 0.000 2.395 412 N HA 0.047 4.791 4.740 0.006 0.000 0.246 412 N C -2.028 173.402 175.510 -0.134 0.000 1.246 412 N CA -0.889 52.202 53.050 0.068 0.000 0.879 412 N CB -0.577 37.915 38.487 0.008 0.000 1.098 412 N HN 0.360 nan 8.380 nan 0.000 0.444 413 P HA 0.263 nan 4.420 nan 0.000 0.274 413 P C -2.599 174.245 177.300 -0.761 0.000 1.237 413 P CA -1.091 61.430 63.100 -0.965 0.000 0.793 413 P CB -0.143 31.271 31.700 -0.476 0.000 0.977 414 P HA 0.063 nan 4.420 nan 0.000 0.268 414 P C -0.100 176.985 177.300 -0.358 0.000 1.205 414 P CA 0.061 62.845 63.100 -0.526 0.000 0.771 414 P CB 0.147 31.532 31.700 -0.524 0.000 0.858 415 E N 4.722 124.772 120.200 -0.250 0.000 2.413 415 E HA 0.072 4.425 4.350 0.006 0.000 0.263 415 E C -1.937 174.333 176.600 -0.550 0.000 1.015 415 E CA -1.564 54.667 56.400 -0.280 0.000 0.916 415 E CB -0.071 29.572 29.700 -0.095 0.000 0.947 415 E HN 0.336 nan 8.360 nan 0.000 0.440 416 P HA 0.125 nan 4.420 nan 0.000 0.218 416 P C -0.855 176.288 177.300 -0.262 0.000 1.826 416 P CA -0.189 62.626 63.100 -0.474 0.000 0.946 416 P CB 0.196 31.566 31.700 -0.551 0.000 1.728 417 E N 1.686 121.741 120.200 -0.242 0.000 2.200 417 E HA 0.201 4.554 4.350 0.006 0.000 0.283 417 E C -0.123 176.401 176.600 -0.126 0.000 1.015 417 E CA -0.579 55.718 56.400 -0.171 0.000 0.819 417 E CB 0.554 30.140 29.700 -0.189 0.000 1.081 417 E HN -0.131 nan 8.360 nan 0.000 0.397 418 K N 5.912 126.268 120.400 -0.073 0.000 2.298 418 K HA 0.257 4.580 4.320 0.006 0.000 0.280 418 K C -2.175 174.417 176.600 -0.015 0.000 1.032 418 K CA -1.829 54.437 56.287 -0.035 0.000 0.958 418 K CB 0.728 33.219 32.500 -0.014 0.000 0.978 418 K HN 0.556 nan 8.250 nan 0.000 0.472 419 P HA 0.163 nan 4.420 nan 0.000 0.271 419 P C -0.119 177.232 177.300 0.085 0.000 1.218 419 P CA -0.122 63.009 63.100 0.052 0.000 0.780 419 P CB 1.162 32.909 31.700 0.078 0.000 0.901 420 G N 0.951 109.810 108.800 0.097 0.000 2.694 420 G HA2 0.525 4.489 3.960 0.006 0.000 0.246 420 G HA3 0.525 4.489 3.960 0.006 0.000 0.246 420 G C -2.197 172.716 174.900 0.022 0.000 1.205 420 G CA -0.521 44.635 45.100 0.094 0.000 0.891 420 G HN 0.483 nan 8.290 nan 0.000 0.515 421 F N 0.293 120.060 119.950 -0.306 0.000 2.569 421 F HA 0.543 5.073 4.527 0.006 0.000 0.312 421 F C 0.624 176.238 175.800 -0.309 0.000 1.109 421 F CA 0.519 58.200 58.000 -0.532 0.000 0.919 421 F CB 2.021 40.311 39.000 -1.183 0.000 1.211 421 F HN 1.611 nan 8.300 nan 0.000 0.446 422 G N 6.169 114.369 108.800 -1.000 0.000 2.366 422 G HA2 -0.267 3.696 3.960 0.006 0.000 0.299 422 G HA3 -0.267 3.696 3.960 0.006 0.000 0.299 422 G C -0.185 174.511 174.900 -0.340 0.000 1.020 422 G CA 0.569 45.201 45.100 -0.779 0.000 1.026 422 G HN 1.148 nan 8.290 nan 0.000 0.512 423 I N -4.027 116.423 120.570 -0.201 0.000 2.664 423 I HA 0.738 4.911 4.170 0.006 0.000 0.308 423 I C 1.554 177.683 176.117 0.019 0.000 0.984 423 I CA -1.368 59.903 61.300 -0.048 0.000 1.213 423 I CB 0.913 38.911 38.000 -0.004 0.000 1.379 423 I HN -0.072 nan 8.210 nan 0.000 0.501 424 F N 2.667 122.600 119.950 -0.029 0.000 2.120 424 F HA -0.226 4.304 4.527 0.005 0.000 0.300 424 F C 2.310 178.178 175.800 0.114 0.000 1.095 424 F CA 2.539 60.560 58.000 0.035 0.000 1.249 424 F CB -0.221 38.802 39.000 0.037 0.000 0.995 424 F HN 0.678 nan 8.300 nan 0.000 0.480 425 T N -0.049 114.630 114.554 0.209 0.000 2.803 425 T HA -0.276 4.077 4.350 0.006 0.000 0.269 425 T C 1.751 176.546 174.700 0.158 0.000 1.052 425 T CA 1.723 63.936 62.100 0.190 0.000 1.136 425 T CB -0.372 68.578 68.868 0.136 0.000 0.864 425 T HN 0.451 nan 8.240 nan 0.000 0.467 426 Q N 0.120 119.961 119.800 0.068 0.000 2.364 426 Q HA 0.067 4.410 4.340 0.006 0.000 0.209 426 Q C 2.090 178.028 176.000 -0.102 0.000 0.977 426 Q CA 0.737 56.554 55.803 0.023 0.000 0.885 426 Q CB -0.310 28.397 28.738 -0.051 0.000 0.941 426 Q HN 0.506 nan 8.270 nan 0.000 0.464 427 L N -1.619 119.478 121.223 -0.209 0.000 2.270 427 L HA -0.031 4.313 4.340 0.006 0.000 0.210 427 L C 1.174 177.749 176.870 -0.492 0.000 1.104 427 L CA 0.766 55.368 54.840 -0.396 0.000 0.804 427 L CB 0.139 41.840 42.059 -0.596 0.000 0.937 427 L HN 0.165 nan 8.230 nan 0.000 0.450 428 F N -2.649 117.187 119.950 -0.189 0.000 2.706 428 F HA 0.151 4.682 4.527 0.006 0.000 0.308 428 F C 0.310 176.158 175.800 0.081 0.000 1.095 428 F CA -0.471 57.495 58.000 -0.057 0.000 1.244 428 F CB 0.630 39.615 39.000 -0.025 0.000 1.063 428 F HN -0.039 nan 8.300 nan 0.000 0.582 429 W N 1.091 122.405 121.300 0.024 0.000 2.957 429 W HA 0.554 5.218 4.660 0.006 0.000 0.336 429 W C -1.155 175.346 176.519 -0.029 0.000 1.087 429 W CA -1.126 56.226 57.345 0.011 0.000 1.235 429 W CB 1.599 31.076 29.460 0.027 0.000 1.399 429 W HN -0.166 nan 8.180 nan 0.000 0.480 430 S N 4.709 119.798 115.700 -1.019 0.000 2.546 430 S HA 0.712 5.185 4.470 0.006 0.000 0.272 430 S C -1.443 172.475 174.600 -1.137 0.000 1.140 430 S CA -1.089 56.552 58.200 -0.931 0.000 0.920 430 S CB 2.108 65.042 63.200 -0.442 0.000 1.083 430 S HN 0.531 nan 8.310 nan 0.000 0.476 431 K N 1.362 121.198 120.400 -0.940 0.000 2.565 431 K HA 0.554 4.878 4.320 0.006 0.000 0.251 431 K C 0.810 177.266 176.600 -0.240 0.000 0.956 431 K CA 0.179 56.142 56.287 -0.539 0.000 0.809 431 K CB 1.054 33.280 32.500 -0.458 0.000 1.267 431 K HN 1.379 nan 8.250 nan 0.000 0.438 432 G N 3.695 112.408 108.800 -0.145 0.000 2.665 432 G HA2 -0.398 3.565 3.960 0.006 0.000 0.326 432 G HA3 -0.398 3.565 3.960 0.006 0.000 0.326 432 G C 0.051 174.909 174.900 -0.069 0.000 1.231 432 G CA 0.809 45.866 45.100 -0.071 0.000 0.992 432 G HN 0.742 nan 8.290 nan 0.000 0.549 433 N N 1.624 120.308 118.700 -0.025 0.000 2.453 433 N HA 0.346 5.089 4.740 0.006 0.000 0.270 433 N C -0.419 175.101 175.510 0.018 0.000 1.195 433 N CA -0.046 52.999 53.050 -0.008 0.000 0.902 433 N CB 0.523 39.020 38.487 0.017 0.000 1.186 433 N HN 0.379 nan 8.380 nan 0.000 0.510 434 N N 1.428 120.122 118.700 -0.011 0.000 2.531 434 N HA 0.284 5.028 4.740 0.006 0.000 0.268 434 N C -2.720 172.759 175.510 -0.051 0.000 1.023 434 N CA -2.035 51.043 53.050 0.046 0.000 0.896 434 N CB 1.930 40.526 38.487 0.181 0.000 1.233 434 N HN 0.023 nan 8.380 nan 0.000 0.512 435 P HA 0.371 nan 4.420 nan 0.000 0.323 435 P C -0.992 176.299 177.300 -0.013 0.000 1.309 435 P CA -0.443 62.651 63.100 -0.009 0.000 0.739 435 P CB 0.885 32.546 31.700 -0.066 0.000 1.454 436 A N -0.802 122.021 122.820 0.006 0.000 2.322 436 A HA 0.505 4.828 4.320 0.006 0.000 0.327 436 A C 1.610 179.186 177.584 -0.013 0.000 1.134 436 A CA -0.321 51.726 52.037 0.017 0.000 0.831 436 A CB 0.336 19.381 19.000 0.075 0.000 1.288 436 A HN 0.418 nan 8.150 nan 0.000 0.472 437 S N -0.006 115.687 115.700 -0.013 0.000 2.378 437 S HA -0.175 4.298 4.470 0.006 0.000 0.221 437 S C 1.932 176.519 174.600 -0.023 0.000 1.037 437 S CA 1.965 60.149 58.200 -0.027 0.000 1.069 437 S CB -0.766 62.422 63.200 -0.020 0.000 1.006 437 S HN 0.575 nan 8.310 nan 0.000 0.423 438 L N 1.190 122.417 121.223 0.007 0.000 2.089 438 L HA -0.243 4.100 4.340 0.006 0.000 0.213 438 L C 2.698 179.569 176.870 0.002 0.000 1.079 438 L CA 1.708 56.557 54.840 0.015 0.000 0.758 438 L CB -0.621 41.470 42.059 0.052 0.000 0.891 438 L HN 0.475 nan 8.230 nan 0.000 0.433 439 E N 0.397 120.595 120.200 -0.003 0.000 2.047 439 E HA -0.224 4.129 4.350 0.006 0.000 0.191 439 E C 2.393 178.866 176.600 -0.212 0.000 0.987 439 E CA 0.853 57.177 56.400 -0.128 0.000 0.799 439 E CB 0.021 29.654 29.700 -0.112 0.000 0.752 439 E HN 0.426 nan 8.360 nan 0.000 0.449 440 L N 0.924 122.058 121.223 -0.148 0.000 2.056 440 L HA -0.169 4.174 4.340 0.006 0.000 0.207 440 L C 2.630 179.420 176.870 -0.133 0.000 1.078 440 L CA 1.477 56.223 54.840 -0.157 0.000 0.749 440 L CB -0.315 41.665 42.059 -0.131 0.000 0.901 440 L HN 0.149 nan 8.230 nan 0.000 0.433 441 K N -0.736 119.609 120.400 -0.092 0.000 2.063 441 K HA -0.209 4.114 4.320 0.006 0.000 0.208 441 K C 1.877 178.446 176.600 -0.051 0.000 1.048 441 K CA 1.631 57.879 56.287 -0.065 0.000 0.928 441 K CB -0.062 32.413 32.500 -0.043 0.000 0.713 441 K HN 0.211 nan 8.250 nan 0.000 0.442 442 V N 0.991 120.874 119.914 -0.052 0.000 3.041 442 V HA -0.105 4.018 4.120 0.006 0.000 0.260 442 V C 1.893 177.980 176.094 -0.011 0.000 1.105 442 V CA 0.882 63.190 62.300 0.014 0.000 1.125 442 V CB -0.076 31.750 31.823 0.005 0.000 0.730 442 V HN 0.335 nan 8.190 nan 0.000 0.479 443 L N -0.535 120.596 121.223 -0.152 0.000 2.022 443 L HA -0.097 4.246 4.340 0.006 0.000 0.204 443 L C 2.531 179.257 176.870 -0.240 0.000 1.076 443 L CA 1.766 56.464 54.840 -0.238 0.000 0.749 443 L CB -0.376 41.532 42.059 -0.252 0.000 0.903 443 L HN 0.294 nan 8.230 nan 0.000 0.439 444 E N -0.439 119.656 120.200 -0.174 0.000 2.219 444 E HA -0.331 4.023 4.350 0.006 0.000 0.198 444 E C 2.038 178.564 176.600 -0.123 0.000 0.998 444 E CA 1.509 57.826 56.400 -0.138 0.000 0.818 444 E CB -0.183 29.452 29.700 -0.108 0.000 0.741 444 E HN 0.473 nan 8.360 nan 0.000 0.477 445 M N 0.039 119.574 119.600 -0.108 0.000 2.159 445 M HA -0.112 4.371 4.480 0.006 0.000 0.263 445 M C 1.975 178.135 176.300 -0.234 0.000 1.063 445 M CA 1.921 57.180 55.300 -0.068 0.000 1.110 445 M CB 0.039 32.690 32.600 0.084 0.000 1.374 445 M HN 0.131 nan 8.290 nan 0.000 0.411 446 G N -1.031 107.445 108.800 -0.539 0.000 2.497 446 G HA2 -0.139 3.824 3.960 0.006 0.000 0.210 446 G HA3 -0.139 3.824 3.960 0.006 0.000 0.210 446 G C 1.164 175.786 174.900 -0.464 0.000 1.177 446 G CA 0.467 45.001 45.100 -0.943 0.000 0.822 446 G HN 0.443 nan 8.290 nan 0.000 0.550 447 E N 0.815 120.772 120.200 -0.406 0.000 2.118 447 E HA -0.070 4.283 4.350 0.006 0.000 0.195 447 E C 2.103 178.812 176.600 0.183 0.000 0.992 447 E CA 1.735 58.137 56.400 0.003 0.000 0.804 447 E CB -0.148 29.518 29.700 -0.056 0.000 0.741 447 E HN 0.643 nan 8.360 nan 0.000 0.458 448 N N -1.222 117.509 118.700 0.052 0.000 2.530 448 N HA 0.033 4.777 4.740 0.006 0.000 0.216 448 N C 1.460 177.022 175.510 0.086 0.000 1.031 448 N CA 0.377 53.472 53.050 0.075 0.000 1.063 448 N CB -0.119 38.377 38.487 0.015 0.000 1.346 448 N HN -0.011 nan 8.380 nan 0.000 0.515 449 N N 1.710 120.437 118.700 0.044 0.000 2.149 449 N HA -0.118 4.625 4.740 0.006 0.000 0.188 449 N C 1.674 177.244 175.510 0.100 0.000 1.019 449 N CA 0.690 53.779 53.050 0.065 0.000 0.857 449 N CB -0.308 38.201 38.487 0.037 0.000 0.997 449 N HN 0.241 nan 8.380 nan 0.000 0.426 450 L N 0.370 121.642 121.223 0.081 0.000 2.109 450 L HA -0.020 4.323 4.340 0.006 0.000 0.207 450 L C 2.108 179.085 176.870 0.179 0.000 1.086 450 L CA 0.778 55.689 54.840 0.117 0.000 0.760 450 L CB -0.316 41.782 42.059 0.064 0.000 0.910 450 L HN 0.094 nan 8.230 nan 0.000 0.437 451 A N 0.227 123.188 122.820 0.235 0.000 1.845 451 A HA -0.225 4.098 4.320 0.006 0.000 0.215 451 A C 2.163 179.856 177.584 0.181 0.000 1.195 451 A CA 1.572 53.755 52.037 0.243 0.000 0.616 451 A CB -0.420 18.765 19.000 0.308 0.000 0.832 451 A HN 0.323 nan 8.150 nan 0.000 0.443 452 K N -1.032 119.463 120.400 0.158 0.000 2.360 452 K HA -0.090 4.233 4.320 0.006 0.000 0.201 452 K C 1.978 178.676 176.600 0.163 0.000 1.046 452 K CA 1.279 57.653 56.287 0.145 0.000 0.945 452 K CB -0.237 32.338 32.500 0.126 0.000 0.750 452 K HN 0.627 nan 8.250 nan 0.000 0.464 453 M N 0.031 119.735 119.600 0.174 0.000 2.134 453 M HA -0.161 4.323 4.480 0.006 0.000 0.262 453 M C 2.414 178.791 176.300 0.129 0.000 1.076 453 M CA 1.447 56.867 55.300 0.201 0.000 1.143 453 M CB -0.217 32.508 32.600 0.208 0.000 1.346 453 M HN 0.239 nan 8.290 nan 0.000 0.421 454 H N -0.343 118.718 119.070 -0.015 0.000 2.352 454 H HA -0.129 4.430 4.556 0.005 0.000 0.299 454 H C 1.757 177.080 175.328 -0.009 0.000 1.097 454 H CA 2.051 58.016 56.048 -0.139 0.000 1.311 454 H CB 0.012 29.638 29.762 -0.228 0.000 1.377 454 H HN 0.265 nan 8.280 nan 0.000 0.504 455 V N 0.808 120.667 119.914 -0.092 0.000 2.295 455 V HA -0.218 3.905 4.120 0.006 0.000 0.246 455 V C 3.026 179.229 176.094 0.181 0.000 1.049 455 V CA 1.799 64.116 62.300 0.029 0.000 1.024 455 V CB -1.182 30.702 31.823 0.101 0.000 0.648 455 V HN 0.664 nan 8.190 nan 0.000 0.447 456 G N -0.484 108.430 108.800 0.189 0.000 2.442 456 G HA2 -0.228 3.735 3.960 0.006 0.000 0.219 456 G HA3 -0.228 3.735 3.960 0.006 0.000 0.219 456 G C 1.620 176.756 174.900 0.394 0.000 1.141 456 G CA 1.053 46.347 45.100 0.324 0.000 0.763 456 G HN 0.456 nan 8.290 nan 0.000 0.554 457 L N 0.562 121.836 121.223 0.084 0.000 2.027 457 L HA 0.026 4.369 4.340 0.006 0.000 0.206 457 L C 3.364 180.134 176.870 -0.166 0.000 1.074 457 L CA 1.152 55.776 54.840 -0.360 0.000 0.745 457 L CB -0.324 41.373 42.059 -0.605 0.000 0.898 457 L HN 0.275 nan 8.230 nan 0.000 0.433 458 A N -0.975 121.699 122.820 -0.244 0.000 2.019 458 A HA -0.197 4.127 4.320 0.006 0.000 0.219 458 A C 1.349 178.678 177.584 -0.425 0.000 1.164 458 A CA 1.425 53.250 52.037 -0.354 0.000 0.644 458 A CB -0.745 17.917 19.000 -0.562 0.000 0.805 458 A HN 0.561 nan 8.150 nan 0.000 0.449 459 H N -1.715 117.384 119.070 0.048 0.000 2.487 459 H HA 0.367 4.926 4.556 0.006 0.000 0.290 459 H C 0.265 175.666 175.328 0.122 0.000 1.081 459 H CA 0.160 56.288 56.048 0.134 0.000 1.116 459 H CB 0.169 30.045 29.762 0.190 0.000 1.560 459 H HN 0.102 nan 8.280 nan 0.000 0.548 460 V N 1.094 121.116 119.914 0.179 0.000 5.691 460 V HA -0.320 3.803 4.120 0.006 0.000 0.288 460 V C 0.325 176.582 176.094 0.272 0.000 0.615 460 V CA 1.356 63.774 62.300 0.197 0.000 0.619 460 V CB -1.861 29.771 31.823 -0.318 0.000 0.296 460 V HN 0.838 nan 8.190 nan 0.000 0.834 461 N N 0.955 119.912 118.700 0.429 0.000 2.706 461 N HA 0.325 5.068 4.740 0.006 0.000 0.240 461 N C -1.345 174.133 175.510 -0.055 0.000 1.039 461 N CA -1.993 51.154 53.050 0.161 0.000 0.888 461 N CB 2.083 40.651 38.487 0.136 0.000 1.128 461 N HN 0.090 nan 8.380 nan 0.000 0.512 462 P HA -0.164 nan 4.420 nan 0.000 0.216 462 P C 1.320 178.127 177.300 -0.823 0.000 1.167 462 P CA 1.563 63.989 63.100 -1.124 0.000 0.914 462 P CB 0.076 31.448 31.700 -0.546 0.000 0.793 463 G N -1.074 107.517 108.800 -0.349 0.000 2.448 463 G HA2 -0.187 3.776 3.960 0.006 0.000 0.219 463 G HA3 -0.187 3.776 3.960 0.006 0.000 0.219 463 G C 1.698 176.555 174.900 -0.071 0.000 1.127 463 G CA 0.837 45.845 45.100 -0.154 0.000 0.766 463 G HN 0.412 nan 8.290 nan 0.000 0.552 464 G N -0.115 108.663 108.800 -0.037 0.000 2.509 464 G HA2 -0.039 3.924 3.960 0.006 0.000 0.218 464 G HA3 -0.039 3.924 3.960 0.006 0.000 0.218 464 G C 1.270 176.318 174.900 0.247 0.000 1.124 464 G CA 0.904 46.076 45.100 0.121 0.000 0.776 464 G HN 0.726 nan 8.290 nan 0.000 0.547 465 W N 0.585 121.934 121.300 0.082 0.000 2.499 465 W HA 0.425 5.089 4.660 0.005 0.000 0.362 465 W C 0.989 177.561 176.519 0.087 0.000 0.945 465 W CA 0.419 57.810 57.345 0.076 0.000 1.721 465 W CB -0.178 29.297 29.460 0.024 0.000 1.156 465 W HN 0.054 nan 8.180 nan 0.000 0.547 466 T N -3.430 111.089 114.554 -0.058 0.000 2.964 466 T HA 0.181 4.535 4.350 0.006 0.000 0.161 466 T C 1.273 176.001 174.700 0.048 0.000 0.859 466 T CA 0.749 62.820 62.100 -0.048 0.000 1.015 466 T CB -0.215 68.522 68.868 -0.218 0.000 2.138 466 T HN -0.045 nan 8.240 nan 0.000 0.367 467 Y N 2.176 122.458 120.300 -0.030 0.000 2.070 467 Y HA -0.031 4.523 4.550 0.005 0.000 0.279 467 Y C 3.379 179.290 175.900 0.017 0.000 1.134 467 Y CA 2.291 60.393 58.100 0.003 0.000 1.113 467 Y CB -1.120 37.320 38.460 -0.033 0.000 0.981 467 Y HN 0.407 nan 8.280 nan 0.000 0.487 468 T N -0.920 113.738 114.554 0.174 0.000 2.812 468 T HA -0.044 4.309 4.350 0.006 0.000 0.264 468 T C 0.593 175.350 174.700 0.095 0.000 1.042 468 T CA 1.120 63.283 62.100 0.104 0.000 1.140 468 T CB -0.025 68.880 68.868 0.061 0.000 0.870 468 T HN 0.067 nan 8.240 nan 0.000 0.445 469 E N -1.563 118.703 120.200 0.111 0.000 2.450 469 E HA 0.537 4.890 4.350 0.006 0.000 0.272 469 E C 0.816 177.521 176.600 0.175 0.000 0.967 469 E CA 0.099 56.574 56.400 0.124 0.000 0.818 469 E CB 1.591 31.364 29.700 0.122 0.000 1.401 469 E HN 0.222 nan 8.360 nan 0.000 0.450 470 G N 1.700 110.606 108.800 0.177 0.000 2.675 470 G HA2 -0.371 3.592 3.960 0.006 0.000 0.312 470 G HA3 -0.371 3.592 3.960 0.006 0.000 0.312 470 G C 1.159 176.216 174.900 0.263 0.000 1.186 470 G CA 0.570 45.811 45.100 0.235 0.000 0.965 470 G HN 0.582 nan 8.290 nan 0.000 0.548 471 W N 2.130 123.477 121.300 0.078 0.000 2.292 471 W HA -0.178 4.485 4.660 0.005 0.000 0.330 471 W C 2.766 179.287 176.519 0.003 0.000 1.264 471 W CA 2.929 60.294 57.345 0.034 0.000 1.235 471 W CB -1.000 28.471 29.460 0.018 0.000 1.164 471 W HN 0.734 nan 8.180 nan 0.000 0.461 472 G N 0.798 109.675 108.800 0.127 0.000 2.631 472 G HA2 -0.318 3.645 3.960 0.006 0.000 0.219 472 G HA3 -0.318 3.645 3.960 0.006 0.000 0.219 472 G C -0.931 173.930 174.900 -0.064 0.000 1.214 472 G CA 1.809 46.901 45.100 -0.013 0.000 0.785 472 G HN 0.236 nan 8.290 nan 0.000 0.596 473 P HA -0.066 nan 4.420 nan 0.000 0.215 473 P C 2.249 179.513 177.300 -0.059 0.000 1.153 473 P CA 1.244 64.333 63.100 -0.018 0.000 0.853 473 P CB -0.106 31.605 31.700 0.020 0.000 0.788 474 M N -1.685 117.859 119.600 -0.092 0.000 2.213 474 M HA -0.180 4.303 4.480 0.006 0.000 0.263 474 M C 1.959 178.117 176.300 -0.236 0.000 1.062 474 M CA 1.597 56.815 55.300 -0.138 0.000 1.105 474 M CB -0.833 31.676 32.600 -0.151 0.000 1.385 474 M HN -0.050 nan 8.290 nan 0.000 0.417 475 N N 0.512 118.985 118.700 -0.377 0.000 2.106 475 N HA -0.140 4.603 4.740 0.006 0.000 0.188 475 N C 1.704 177.146 175.510 -0.114 0.000 1.029 475 N CA 1.253 54.086 53.050 -0.361 0.000 0.848 475 N CB -0.061 38.171 38.487 -0.425 0.000 1.007 475 N HN 0.158 nan 8.380 nan 0.000 0.423 476 R N -0.024 120.423 120.500 -0.088 0.000 2.080 476 R HA -0.110 4.233 4.340 0.006 0.000 0.236 476 R C 2.003 178.298 176.300 -0.009 0.000 1.137 476 R CA 1.531 57.611 56.100 -0.033 0.000 0.943 476 R CB -0.479 29.803 30.300 -0.029 0.000 0.846 476 R HN 0.300 nan 8.270 nan 0.000 0.431 477 A N -0.002 122.812 122.820 -0.010 0.000 1.917 477 A HA -0.255 4.068 4.320 0.006 0.000 0.219 477 A C 2.042 179.640 177.584 0.024 0.000 1.182 477 A CA 1.620 53.659 52.037 0.003 0.000 0.633 477 A CB -0.934 18.071 19.000 0.008 0.000 0.819 477 A HN 0.653 nan 8.150 nan 0.000 0.448 478 Y N 0.279 120.526 120.300 -0.088 0.000 2.163 478 Y HA -0.149 4.404 4.550 0.005 0.000 0.288 478 Y C 2.375 178.239 175.900 -0.060 0.000 1.136 478 Y CA 1.925 59.975 58.100 -0.083 0.000 1.147 478 Y CB -0.312 38.074 38.460 -0.124 0.000 0.987 478 Y HN 0.057 nan 8.280 nan 0.000 0.509 479 V N 0.890 120.865 119.914 0.101 0.000 2.332 479 V HA -0.310 3.813 4.120 0.006 0.000 0.248 479 V C 2.023 178.086 176.094 -0.052 0.000 1.055 479 V CA 2.442 64.760 62.300 0.029 0.000 1.038 479 V CB -0.543 31.311 31.823 0.052 0.000 0.651 479 V HN 0.482 nan 8.190 nan 0.000 0.450 480 E N -0.519 119.656 120.200 -0.043 0.000 2.216 480 E HA -0.084 4.269 4.350 0.006 0.000 0.192 480 E C 2.174 178.738 176.600 -0.061 0.000 0.988 480 E CA 0.898 57.273 56.400 -0.042 0.000 0.834 480 E CB -0.058 29.626 29.700 -0.027 0.000 0.772 480 E HN 0.554 nan 8.360 nan 0.000 0.479 481 I N 1.302 121.807 120.570 -0.107 0.000 2.202 481 I HA -0.269 3.904 4.170 0.006 0.000 0.242 481 I C 2.570 178.618 176.117 -0.115 0.000 1.091 481 I CA 1.026 62.255 61.300 -0.118 0.000 1.368 481 I CB -0.127 37.774 38.000 -0.165 0.000 1.058 481 I HN 0.106 nan 8.210 nan 0.000 0.410 482 Q N 0.205 119.873 119.800 -0.219 0.000 2.050 482 Q HA -0.259 4.084 4.340 0.006 0.000 0.202 482 Q C 1.845 177.842 176.000 -0.005 0.000 0.980 482 Q CA 1.647 57.375 55.803 -0.125 0.000 0.840 482 Q CB -0.572 28.019 28.738 -0.245 0.000 0.898 482 Q HN 0.556 nan 8.270 nan 0.000 0.424 483 D N 0.953 121.329 120.400 -0.039 0.000 2.127 483 D HA -0.241 4.402 4.640 0.006 0.000 0.190 483 D C 1.757 178.058 176.300 0.002 0.000 1.000 483 D CA 1.487 55.477 54.000 -0.016 0.000 0.839 483 D CB 0.104 40.891 40.800 -0.021 0.000 0.955 483 D HN 0.329 nan 8.370 nan 0.000 0.446 484 E N -1.194 119.012 120.200 0.011 0.000 2.153 484 E HA -0.227 4.127 4.350 0.006 0.000 0.194 484 E C 2.184 178.821 176.600 0.062 0.000 0.988 484 E CA 0.662 57.077 56.400 0.025 0.000 0.811 484 E CB -0.271 29.443 29.700 0.025 0.000 0.746 484 E HN 0.370 nan 8.360 nan 0.000 0.466 485 Y N 1.354 121.621 120.300 -0.055 0.000 2.114 485 Y HA -0.192 4.362 4.550 0.006 0.000 0.284 485 Y C 2.356 178.231 175.900 -0.042 0.000 1.143 485 Y CA 2.176 60.247 58.100 -0.049 0.000 1.135 485 Y CB -0.734 37.686 38.460 -0.066 0.000 0.980 485 Y HN -0.018 nan 8.280 nan 0.000 0.499 486 T N 0.903 115.387 114.554 -0.116 0.000 2.720 486 T HA -0.194 4.159 4.350 0.006 0.000 0.268 486 T C 1.840 176.444 174.700 -0.161 0.000 1.037 486 T CA 1.950 63.933 62.100 -0.195 0.000 1.144 486 T CB -0.192 68.631 68.868 -0.076 0.000 0.864 486 T HN 0.314 nan 8.240 nan 0.000 0.444 487 K N 0.624 120.970 120.400 -0.091 0.000 2.057 487 K HA 0.056 4.380 4.320 0.006 0.000 0.207 487 K C 2.330 178.878 176.600 -0.086 0.000 1.049 487 K CA 1.164 57.409 56.287 -0.070 0.000 0.931 487 K CB -0.227 32.251 32.500 -0.037 0.000 0.714 487 K HN 0.355 nan 8.250 nan 0.000 0.440 488 M N 0.667 120.209 119.600 -0.096 0.000 2.374 488 M HA -0.181 4.302 4.480 0.006 0.000 0.264 488 M C 1.955 178.170 176.300 -0.142 0.000 1.067 488 M CA 1.504 56.752 55.300 -0.087 0.000 1.103 488 M CB -0.098 32.483 32.600 -0.031 0.000 1.402 488 M HN 0.199 nan 8.290 nan 0.000 0.444 489 Q N -0.192 119.466 119.800 -0.236 0.000 2.096 489 Q HA -0.151 4.193 4.340 0.006 0.000 0.197 489 Q C 1.837 177.753 176.000 -0.139 0.000 0.964 489 Q CA 1.067 56.730 55.803 -0.233 0.000 0.838 489 Q CB 0.028 28.562 28.738 -0.340 0.000 0.906 489 Q HN 0.395 nan 8.270 nan 0.000 0.444 490 E N 0.833 120.960 120.200 -0.121 0.000 2.049 490 E HA -0.209 4.144 4.350 0.006 0.000 0.198 490 E C 1.822 178.384 176.600 -0.063 0.000 1.007 490 E CA 0.926 57.278 56.400 -0.080 0.000 0.809 490 E CB -0.202 29.458 29.700 -0.067 0.000 0.749 490 E HN 0.147 nan 8.360 nan 0.000 0.450 491 L N 0.714 121.901 121.223 -0.060 0.000 2.043 491 L HA -0.205 4.138 4.340 0.006 0.000 0.212 491 L C 2.290 179.134 176.870 -0.043 0.000 1.075 491 L CA 2.554 57.367 54.840 -0.045 0.000 0.752 491 L CB -1.230 40.806 42.059 -0.039 0.000 0.891 491 L HN 0.301 nan 8.230 nan 0.000 0.432 492 S N -0.628 115.040 115.700 -0.054 0.000 2.406 492 S HA -0.064 4.409 4.470 0.006 0.000 0.228 492 S C 2.174 176.748 174.600 -0.044 0.000 1.020 492 S CA 0.806 58.977 58.200 -0.047 0.000 0.965 492 S CB -0.423 62.745 63.200 -0.053 0.000 0.798 492 S HN 0.445 nan 8.310 nan 0.000 0.488 493 A N 1.990 124.779 122.820 -0.052 0.000 1.877 493 A HA 0.068 4.391 4.320 0.006 0.000 0.216 493 A C 2.240 179.803 177.584 -0.034 0.000 1.186 493 A CA 1.619 53.630 52.037 -0.044 0.000 0.620 493 A CB -0.993 17.977 19.000 -0.050 0.000 0.822 493 A HN 0.532 nan 8.150 nan 0.000 0.443 494 L N -0.542 120.661 121.223 -0.034 0.000 2.083 494 L HA -0.174 4.169 4.340 0.006 0.000 0.209 494 L C 2.454 179.310 176.870 -0.024 0.000 1.083 494 L CA 1.947 56.771 54.840 -0.027 0.000 0.752 494 L CB -0.557 41.486 42.059 -0.026 0.000 0.899 494 L HN 0.398 nan 8.230 nan 0.000 0.433 495 Q N -0.577 119.208 119.800 -0.025 0.000 2.050 495 Q HA -0.184 4.159 4.340 0.006 0.000 0.202 495 Q C 2.240 178.227 176.000 -0.021 0.000 0.980 495 Q CA 1.848 57.638 55.803 -0.022 0.000 0.840 495 Q CB -0.345 28.379 28.738 -0.023 0.000 0.898 495 Q HN 0.678 nan 8.270 nan 0.000 0.424 496 A N 0.818 123.624 122.820 -0.023 0.000 1.902 496 A HA -0.181 4.142 4.320 0.006 0.000 0.217 496 A C 2.107 179.680 177.584 -0.019 0.000 1.181 496 A CA 1.353 53.377 52.037 -0.021 0.000 0.623 496 A CB -0.465 18.520 19.000 -0.024 0.000 0.818 496 A HN 0.247 nan 8.150 nan 0.000 0.443 497 R N -0.626 119.863 120.500 -0.019 0.000 2.159 497 R HA -0.034 4.310 4.340 0.006 0.000 0.237 497 R C 0.121 176.412 176.300 -0.015 0.000 1.131 497 R CA 0.653 56.743 56.100 -0.017 0.000 0.982 497 R CB -0.397 29.892 30.300 -0.018 0.000 0.868 497 R HN 0.299 nan 8.270 nan 0.000 0.453 498 V N 2.623 122.528 119.914 -0.015 0.000 2.416 498 V HA -0.047 4.076 4.120 0.006 0.000 0.260 498 V C -0.012 176.075 176.094 -0.012 0.000 1.018 498 V CA 0.804 63.096 62.300 -0.013 0.000 1.120 498 V CB -0.418 31.397 31.823 -0.013 0.000 1.081 498 V HN 0.343 nan 8.190 nan 0.000 0.474 499 N N 0.000 118.693 118.700 -0.011 0.000 1.763 499 N HA 0.000 4.743 4.740 0.006 0.000 0.220 499 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 499 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 499 N HN 0.000 nan 8.380 nan 0.000 0.667