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 2vr0_1_B DATA FIRST_RESID 25 DATA SEQUENCE AGCSDVSTEL KTPVYKTKLT AEEIRNSAFK PEFPKQYASY ERNDETTVMT DATA SEQUENCE EYKGSVPFNK NDNVNPLPEG YRHAQPYLKN LWLGYPFMYE YREARGHTYA DATA SEQUENCE IQDFLHIDRI NRYAEKGGLP ATCWNCKTPK MMEWVKESGD GFWAKDVNEF DATA SEQUENCE RDKIDMKDHT IGCATCHDPQ TMELRITSVP LTDYLVSQGK DPKKLPRNEM DATA SEQUENCE RALVCGQCHV EYYFNGPTMG VNKKPVFPWA EGFDPADMYR YYDKHGDLQV DATA SEQUENCE KGFEGKFADW THPASKTPMI KAQHPEYETW INGTHGAAGV TCADCHMSYT DATA SEQUENCE RSDDKKKISS HWWTSPMKDP EMRACRQCHS DKTPDYLKSR VLFTQKRTFD DATA SEQUENCE LLLAAQEVSV KAHEAVRLAN EYQGAKAAGY DDLMIQAREM VRKGQFFWDY DATA SEQUENCE VSAENSVGFH NPAKALDTLA QSQQFSQKAI DLAMEATQYG IGKDLSGDIK DATA SEQUENCE TIVPPILKMN RKLQQDPEFM KTHKWFQYLP VLPKADQVWD GQKRLVSA 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.584 177.584 0.001 0.000 1.274 25 A CA 0.000 52.038 52.037 0.001 0.000 0.836 25 A CB 0.000 19.000 19.000 0.001 0.000 0.831 26 G N -1.234 107.566 108.800 0.000 0.000 2.691 26 G HA2 0.561 4.521 3.960 0.000 0.000 0.298 26 G HA3 0.561 4.521 3.960 0.000 0.000 0.298 26 G C -0.003 174.897 174.900 0.000 0.000 1.471 26 G CA 0.419 45.519 45.100 0.000 0.000 0.912 26 G HN 1.683 nan 8.290 nan 0.000 0.553 27 C N -0.302 118.998 119.300 -0.000 0.000 4.260 27 C HA 0.658 5.119 4.460 0.000 0.000 0.363 27 C C 0.845 175.835 174.990 -0.000 0.000 1.765 27 C CA 0.581 59.599 59.018 -0.000 0.000 1.877 27 C CB -0.309 27.431 27.740 0.000 0.000 3.089 27 C HN 1.374 nan 8.230 nan 0.000 0.652 28 S N 1.021 116.721 115.700 -0.001 0.000 2.651 28 S HA 0.592 5.062 4.470 0.000 0.000 0.291 28 S C -0.946 173.654 174.600 -0.001 0.000 1.141 28 S CA 0.059 58.259 58.200 -0.001 0.000 1.027 28 S CB 1.459 64.659 63.200 -0.001 0.000 1.043 28 S HN 0.369 nan 8.310 nan 0.000 0.530 29 D N 0.655 121.055 120.400 -0.000 0.000 2.329 29 D HA 0.381 5.022 4.640 0.000 0.000 0.246 29 D C 0.332 176.631 176.300 -0.001 0.000 1.111 29 D CA -0.447 53.553 54.000 -0.000 0.000 0.941 29 D CB 1.118 41.918 40.800 0.001 0.000 1.169 29 D HN 0.557 nan 8.370 nan 0.000 0.441 30 V N 0.553 120.466 119.914 -0.001 0.000 3.237 30 V HA 0.243 4.363 4.120 0.000 0.000 0.305 30 V C 0.557 176.650 176.094 -0.001 0.000 1.096 30 V CA -0.649 61.650 62.300 -0.002 0.000 1.130 30 V CB 0.982 32.804 31.823 -0.003 0.000 1.048 30 V HN 0.478 nan 8.190 nan 0.000 0.484 31 S N 0.471 116.171 115.700 -0.001 0.000 2.442 31 S HA 0.282 4.752 4.470 0.000 0.000 0.297 31 S C 1.014 175.616 174.600 0.003 0.000 1.131 31 S CA -0.134 58.067 58.200 0.001 0.000 1.092 31 S CB 1.206 64.406 63.200 0.000 0.000 0.998 31 S HN 0.889 nan 8.310 nan 0.000 0.478 32 T N 4.121 118.679 114.554 0.005 0.000 3.007 32 T HA -0.046 4.304 4.350 0.000 0.000 0.270 32 T C 1.497 176.203 174.700 0.011 0.000 1.107 32 T CA 1.031 63.136 62.100 0.008 0.000 1.118 32 T CB -0.129 68.744 68.868 0.009 0.000 0.889 32 T HN 0.633 nan 8.240 nan 0.000 0.506 33 E N 0.887 121.093 120.200 0.010 0.000 2.106 33 E HA 0.016 4.366 4.350 0.000 0.000 0.192 33 E C 1.046 177.657 176.600 0.017 0.000 0.984 33 E CA 0.320 56.728 56.400 0.014 0.000 0.806 33 E CB -0.263 29.444 29.700 0.011 0.000 0.750 33 E HN 0.462 nan 8.360 nan 0.000 0.458 34 L N 1.437 122.668 121.223 0.013 0.000 3.664 34 L HA -0.181 4.159 4.340 0.000 0.000 0.560 34 L C 0.345 177.227 176.870 0.021 0.000 1.285 34 L CA 0.099 54.948 54.840 0.015 0.000 0.864 34 L CB -0.982 41.091 42.059 0.024 0.000 1.512 34 L HN 0.018 nan 8.230 nan 0.000 0.853 35 K N 2.160 122.568 120.400 0.012 0.000 2.349 35 K HA 0.199 4.519 4.320 0.000 0.000 0.289 35 K C 0.498 177.105 176.600 0.012 0.000 1.064 35 K CA 0.131 56.425 56.287 0.012 0.000 0.947 35 K CB 0.548 33.048 32.500 0.001 0.000 1.007 35 K HN 0.346 nan 8.250 nan 0.000 0.478 36 T N 3.601 118.173 114.554 0.031 0.000 2.928 36 T HA 0.176 4.527 4.350 0.000 0.000 0.305 36 T C -2.224 172.469 174.700 -0.012 0.000 1.035 36 T CA -1.366 60.762 62.100 0.046 0.000 1.145 36 T CB 0.235 69.160 68.868 0.094 0.000 0.963 36 T HN 0.396 nan 8.240 nan 0.000 0.545 37 P HA 0.266 nan 4.420 nan 0.000 0.267 37 P C -0.762 176.266 177.300 -0.454 0.000 1.200 37 P CA -0.478 62.484 63.100 -0.230 0.000 0.772 37 P CB 0.409 31.973 31.700 -0.226 0.000 0.855 38 V N 3.385 123.005 119.914 -0.491 0.000 2.581 38 V HA 0.400 4.520 4.120 0.000 0.000 0.303 38 V C -0.564 175.221 176.094 -0.516 0.000 1.041 38 V CA -0.293 61.779 62.300 -0.380 0.000 0.907 38 V CB 0.891 32.636 31.823 -0.131 0.000 0.994 38 V HN 0.422 nan 8.190 nan 0.000 0.442 39 Y N 2.659 123.022 120.300 0.104 0.000 2.524 39 Y HA 0.740 5.290 4.550 0.000 0.000 0.344 39 Y C -0.017 175.949 175.900 0.111 0.000 1.012 39 Y CA -1.168 57.016 58.100 0.140 0.000 1.068 39 Y CB 1.980 40.580 38.460 0.234 0.000 1.249 39 Y HN 0.451 nan 8.280 nan 0.000 0.468 40 K N 1.813 122.369 120.400 0.259 0.000 2.723 40 K HA 0.265 4.585 4.320 0.000 0.000 0.229 40 K C -0.690 175.982 176.600 0.121 0.000 1.022 40 K CA -0.392 55.987 56.287 0.154 0.000 1.045 40 K CB 0.380 32.931 32.500 0.085 0.000 1.227 40 K HN 0.743 nan 8.250 nan 0.000 0.516 41 T N -0.231 114.402 114.554 0.132 0.000 2.766 41 T HA 0.207 4.557 4.350 0.000 0.000 0.295 41 T C 0.788 175.481 174.700 -0.011 0.000 1.024 41 T CA -0.226 61.902 62.100 0.047 0.000 1.018 41 T CB 0.779 69.681 68.868 0.057 0.000 1.002 41 T HN 0.553 nan 8.240 nan 0.000 0.532 42 K N 0.207 120.568 120.400 -0.065 0.000 2.487 42 K HA 0.233 4.553 4.320 0.000 0.000 0.192 42 K C 0.315 176.864 176.600 -0.085 0.000 1.027 42 K CA -0.004 56.240 56.287 -0.071 0.000 1.054 42 K CB -0.273 32.174 32.500 -0.089 0.000 0.824 42 K HN 0.502 nan 8.250 nan 0.000 0.510 43 L N 1.566 122.726 121.223 -0.106 0.000 2.436 43 L HA 0.083 4.423 4.340 0.000 0.000 0.265 43 L C 1.037 177.856 176.870 -0.085 0.000 1.168 43 L CA -0.526 54.230 54.840 -0.140 0.000 0.815 43 L CB 0.384 42.289 42.059 -0.255 0.000 1.109 43 L HN 0.087 nan 8.230 nan 0.000 0.462 44 T N -1.069 113.436 114.554 -0.082 0.000 2.868 44 T HA 0.307 4.657 4.350 0.000 0.000 0.292 44 T C 1.210 175.889 174.700 -0.034 0.000 1.028 44 T CA -0.172 61.898 62.100 -0.049 0.000 1.059 44 T CB 1.479 70.320 68.868 -0.045 0.000 0.991 44 T HN 0.675 nan 8.240 nan 0.000 0.531 45 A N 1.077 123.886 122.820 -0.018 0.000 2.032 45 A HA -0.084 4.236 4.320 0.000 0.000 0.221 45 A C 1.969 179.549 177.584 -0.007 0.000 1.165 45 A CA 1.850 53.883 52.037 -0.006 0.000 0.645 45 A CB -0.839 18.157 19.000 -0.006 0.000 0.807 45 A HN 0.930 nan 8.150 nan 0.000 0.453 46 E N -0.763 119.425 120.200 -0.021 0.000 2.501 46 E HA 0.146 4.496 4.350 0.000 0.000 0.201 46 E C -0.111 176.474 176.600 -0.025 0.000 1.016 46 E CA -0.262 56.121 56.400 -0.029 0.000 0.920 46 E CB 0.274 29.948 29.700 -0.044 0.000 1.023 46 E HN 0.466 nan 8.360 nan 0.000 0.474 47 E N 0.759 120.946 120.200 -0.022 0.000 2.493 47 E HA -0.078 4.272 4.350 0.000 0.000 0.255 47 E C 0.576 177.221 176.600 0.074 0.000 0.999 47 E CA 0.394 56.781 56.400 -0.022 0.000 0.934 47 E CB 0.291 29.911 29.700 -0.132 0.000 0.940 47 E HN 0.420 nan 8.360 nan 0.000 0.473 48 I N 0.936 121.565 120.570 0.099 0.000 4.439 48 I HA 0.308 4.478 4.170 0.000 0.000 0.331 48 I C 0.131 176.413 176.117 0.274 0.000 1.345 48 I CA -0.569 60.828 61.300 0.163 0.000 1.193 48 I CB 0.409 38.409 38.000 -0.001 0.000 1.221 48 I HN 0.071 nan 8.210 nan 0.000 0.429 49 R N 3.093 123.741 120.500 0.248 0.000 2.343 49 R HA 0.179 4.519 4.340 0.000 0.000 0.326 49 R C 0.659 177.135 176.300 0.294 0.000 1.055 49 R CA -0.200 56.019 56.100 0.199 0.000 0.961 49 R CB 0.014 30.363 30.300 0.081 0.000 0.978 49 R HN 0.302 nan 8.270 nan 0.000 0.443 50 N N 1.384 120.238 118.700 0.258 0.000 2.069 50 N HA -0.232 4.508 4.740 0.000 0.000 0.196 50 N C 1.468 177.236 175.510 0.431 0.000 1.024 50 N CA 2.301 55.536 53.050 0.309 0.000 0.869 50 N CB -0.190 38.413 38.487 0.195 0.000 1.035 50 N HN 0.568 nan 8.380 nan 0.000 0.434 51 S N -0.270 115.574 115.700 0.241 0.000 2.603 51 S HA 0.197 4.667 4.470 0.000 0.000 0.229 51 S C 1.789 176.367 174.600 -0.037 0.000 0.972 51 S CA 0.566 58.803 58.200 0.062 0.000 0.935 51 S CB 0.037 63.259 63.200 0.036 0.000 0.769 51 S HN 0.375 nan 8.310 nan 0.000 0.536 52 A N 0.710 123.552 122.820 0.036 0.000 2.067 52 A HA 0.332 4.652 4.320 0.000 0.000 0.217 52 A C 1.491 178.960 177.584 -0.191 0.000 1.156 52 A CA 0.406 52.373 52.037 -0.116 0.000 0.683 52 A CB -0.726 18.163 19.000 -0.184 0.000 0.808 52 A HN 0.547 nan 8.150 nan 0.000 0.455 53 F N 0.094 120.018 119.950 -0.043 0.000 2.615 53 F HA 0.093 4.621 4.527 0.000 0.000 0.297 53 F C 2.023 177.774 175.800 -0.082 0.000 1.124 53 F CA 1.020 59.037 58.000 0.029 0.000 1.451 53 F CB -0.068 39.001 39.000 0.114 0.000 1.103 53 F HN 0.147 nan 8.300 nan 0.000 0.569 54 K N 0.961 121.240 120.400 -0.201 0.000 2.001 54 K HA -0.185 4.135 4.320 0.000 0.000 0.214 54 K C -0.764 175.683 176.600 -0.255 0.000 1.050 54 K CA 1.882 57.867 56.287 -0.503 0.000 0.934 54 K CB -1.155 30.828 32.500 -0.861 0.000 0.718 54 K HN 0.104 nan 8.250 nan 0.000 0.443 55 P HA -0.083 nan 4.420 nan 0.000 0.223 55 P C 0.205 177.361 177.300 -0.240 0.000 1.151 55 P CA 1.191 64.172 63.100 -0.198 0.000 0.787 55 P CB 0.146 31.741 31.700 -0.175 0.000 0.788 56 E N -1.818 118.172 120.200 -0.350 0.000 2.340 56 E HA 0.084 4.434 4.350 0.000 0.000 0.194 56 E C 0.020 176.050 176.600 -0.950 0.000 0.996 56 E CA 0.451 56.456 56.400 -0.658 0.000 0.869 56 E CB 0.073 29.261 29.700 -0.853 0.000 0.835 56 E HN 0.316 nan 8.360 nan 0.000 0.493 57 F N 0.576 120.487 119.950 -0.066 0.000 2.577 57 F HA 0.238 4.765 4.527 0.000 0.000 0.342 57 F C -1.854 173.931 175.800 -0.024 0.000 1.479 57 F CA -1.751 56.209 58.000 -0.068 0.000 1.110 57 F CB 1.246 40.177 39.000 -0.115 0.000 1.306 57 F HN -0.070 nan 8.300 nan 0.000 0.554 58 P HA -0.169 nan 4.420 nan 0.000 0.218 58 P C 1.091 178.455 177.300 0.106 0.000 1.149 58 P CA 1.521 64.660 63.100 0.064 0.000 0.817 58 P CB 0.328 32.032 31.700 0.006 0.000 0.785 59 K N -0.283 120.171 120.400 0.090 0.000 2.062 59 K HA -0.117 4.203 4.320 0.000 0.000 0.205 59 K C 2.428 179.053 176.600 0.043 0.000 1.051 59 K CA 1.282 57.610 56.287 0.069 0.000 0.941 59 K CB -0.312 32.231 32.500 0.072 0.000 0.719 59 K HN 0.061 nan 8.250 nan 0.000 0.440 60 Q N -0.122 119.681 119.800 0.005 0.000 2.079 60 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 60 Q C 1.831 177.765 176.000 -0.109 0.000 0.974 60 Q CA 1.429 57.123 55.803 -0.182 0.000 0.840 60 Q CB -0.333 28.126 28.738 -0.464 0.000 0.898 60 Q HN 0.316 nan 8.270 nan 0.000 0.430 61 Y N 0.603 120.857 120.300 -0.077 0.000 2.097 61 Y HA -0.289 4.261 4.550 0.000 0.000 0.282 61 Y C 2.208 178.146 175.900 0.063 0.000 1.152 61 Y CA 1.531 59.644 58.100 0.020 0.000 1.136 61 Y CB -0.549 37.936 38.460 0.041 0.000 0.975 61 Y HN 0.143 nan 8.280 nan 0.000 0.498 62 A N -1.109 121.817 122.820 0.177 0.000 1.903 62 A HA -0.316 4.004 4.320 0.000 0.000 0.219 62 A C 2.489 180.038 177.584 -0.058 0.000 1.191 62 A CA 2.429 54.501 52.037 0.058 0.000 0.638 62 A CB -1.508 17.515 19.000 0.038 0.000 0.823 62 A HN 0.493 nan 8.150 nan 0.000 0.451 63 S N -2.285 113.383 115.700 -0.053 0.000 2.383 63 S HA -0.171 4.299 4.470 0.000 0.000 0.227 63 S C 1.864 176.374 174.600 -0.149 0.000 1.026 63 S CA 1.469 59.612 58.200 -0.095 0.000 0.981 63 S CB -0.535 62.653 63.200 -0.019 0.000 0.818 63 S HN 0.695 nan 8.310 nan 0.000 0.472 64 Y N 2.074 122.212 120.300 -0.271 0.000 2.165 64 Y HA -0.099 4.451 4.550 0.000 0.000 0.286 64 Y C 2.012 177.740 175.900 -0.285 0.000 1.155 64 Y CA 2.181 60.096 58.100 -0.308 0.000 1.164 64 Y CB -0.510 37.743 38.460 -0.346 0.000 0.978 64 Y HN 0.359 nan 8.280 nan 0.000 0.513 65 E N -0.092 119.870 120.200 -0.397 0.000 2.265 65 E HA -0.200 4.150 4.350 0.000 0.000 0.196 65 E C 2.041 178.378 176.600 -0.437 0.000 0.996 65 E CA 0.723 56.866 56.400 -0.427 0.000 0.832 65 E CB -0.121 29.446 29.700 -0.221 0.000 0.756 65 E HN 0.513 nan 8.360 nan 0.000 0.491 66 R N 0.737 120.926 120.500 -0.518 0.000 2.285 66 R HA -0.019 4.321 4.340 0.000 0.000 0.213 66 R C 1.530 177.385 176.300 -0.742 0.000 1.068 66 R CA 0.407 56.005 56.100 -0.835 0.000 1.004 66 R CB -0.028 29.456 30.300 -1.359 0.000 0.873 66 R HN 0.144 nan 8.270 nan 0.000 0.467 67 N N 0.890 119.379 118.700 -0.352 0.000 2.520 67 N HA -0.125 4.615 4.740 0.000 0.000 0.185 67 N C 0.415 175.865 175.510 -0.100 0.000 1.068 67 N CA 0.926 53.950 53.050 -0.044 0.000 0.911 67 N CB 0.029 38.482 38.487 -0.056 0.000 0.961 67 N HN 0.209 nan 8.380 nan 0.000 0.446 68 D N 0.879 121.131 120.400 -0.247 0.000 2.312 68 D HA -0.076 4.565 4.640 0.000 0.000 0.211 68 D C 0.741 177.087 176.300 0.077 0.000 0.964 68 D CA 0.526 54.397 54.000 -0.216 0.000 0.877 68 D CB 0.009 40.664 40.800 -0.243 0.000 0.924 68 D HN 0.246 nan 8.370 nan 0.000 0.515 69 E N 0.715 120.937 120.200 0.038 0.000 2.366 69 E HA -0.002 4.348 4.350 0.000 0.000 0.266 69 E C -0.257 176.460 176.600 0.194 0.000 1.015 69 E CA 0.631 57.091 56.400 0.100 0.000 0.906 69 E CB 0.735 30.482 29.700 0.078 0.000 0.979 69 E HN -0.115 nan 8.360 nan 0.000 0.443 70 T N 2.578 117.216 114.554 0.139 0.000 3.672 70 T HA 0.138 4.489 4.350 0.000 0.000 0.296 70 T C 0.391 175.108 174.700 0.028 0.000 0.979 70 T CA 0.380 62.528 62.100 0.081 0.000 1.013 70 T CB -0.216 68.651 68.868 -0.002 0.000 1.184 70 T HN 0.532 nan 8.240 nan 0.000 0.477 71 T N -2.114 112.467 114.554 0.045 0.000 2.969 71 T HA 0.379 4.729 4.350 0.000 0.000 0.258 71 T C 0.391 175.104 174.700 0.021 0.000 0.962 71 T CA -0.016 62.097 62.100 0.023 0.000 0.903 71 T CB 0.295 69.176 68.868 0.021 0.000 1.177 71 T HN 0.124 nan 8.240 nan 0.000 0.511 72 V N 2.827 122.767 119.914 0.043 0.000 2.498 72 V HA 0.623 4.743 4.120 0.000 0.000 0.279 72 V C -0.339 175.756 176.094 0.001 0.000 1.048 72 V CA -0.495 61.826 62.300 0.035 0.000 0.967 72 V CB 1.058 32.927 31.823 0.077 0.000 0.988 72 V HN 0.385 nan 8.190 nan 0.000 0.473 73 M N 4.681 124.266 119.600 -0.024 0.000 2.456 73 M HA 0.548 5.029 4.480 0.000 0.000 0.324 73 M C 0.232 176.508 176.300 -0.040 0.000 1.124 73 M CA -0.032 55.227 55.300 -0.068 0.000 0.959 73 M CB 2.061 34.590 32.600 -0.118 0.000 1.692 73 M HN 0.907 nan 8.290 nan 0.000 0.444 74 T N -0.585 113.946 114.554 -0.039 0.000 2.898 74 T HA 0.493 4.843 4.350 0.000 0.000 0.283 74 T C 0.845 175.551 174.700 0.009 0.000 1.059 74 T CA -0.199 61.892 62.100 -0.015 0.000 0.958 74 T CB 0.400 69.259 68.868 -0.016 0.000 1.594 74 T HN 0.609 nan 8.240 nan 0.000 0.598 75 E N -0.204 119.990 120.200 -0.010 0.000 2.017 75 E HA -0.046 4.304 4.350 0.000 0.000 0.193 75 E C 1.460 177.958 176.600 -0.170 0.000 0.997 75 E CA 1.763 58.095 56.400 -0.114 0.000 0.804 75 E CB -0.513 29.085 29.700 -0.169 0.000 0.757 75 E HN 0.758 nan 8.360 nan 0.000 0.448 76 Y N -0.956 119.402 120.300 0.096 0.000 2.462 76 Y HA 0.291 4.841 4.550 0.000 0.000 0.253 76 Y C 0.787 176.750 175.900 0.105 0.000 1.095 76 Y CA -0.242 57.899 58.100 0.068 0.000 1.283 76 Y CB 0.684 39.066 38.460 -0.129 0.000 1.138 76 Y HN -0.190 nan 8.280 nan 0.000 0.522 77 K N -0.430 120.070 120.400 0.167 0.000 2.208 77 K HA 0.833 5.153 4.320 0.000 0.000 0.240 77 K C 0.157 176.759 176.600 0.003 0.000 1.088 77 K CA -0.087 56.255 56.287 0.092 0.000 0.902 77 K CB 1.151 33.697 32.500 0.076 0.000 1.355 77 K HN 0.156 nan 8.250 nan 0.000 0.526 78 G N -0.613 108.182 108.800 -0.009 0.000 2.350 78 G HA2 0.045 4.005 3.960 0.000 0.000 0.276 78 G HA3 0.045 4.005 3.960 0.000 0.000 0.276 78 G C -0.791 174.098 174.900 -0.018 0.000 1.313 78 G CA -0.263 44.818 45.100 -0.032 0.000 0.903 78 G HN 0.265 nan 8.290 nan 0.000 0.490 79 S N -0.735 114.961 115.700 -0.007 0.000 2.819 79 S HA 0.372 4.843 4.470 0.000 0.000 0.249 79 S C 0.118 174.709 174.600 -0.016 0.000 1.030 79 S CA 0.077 58.284 58.200 0.012 0.000 1.052 79 S CB 0.975 64.222 63.200 0.078 0.000 1.017 79 S HN 0.761 nan 8.310 nan 0.000 0.576 80 V N 4.954 124.856 119.914 -0.020 0.000 2.406 80 V HA 0.286 4.406 4.120 0.000 0.000 0.272 80 V C -2.127 173.946 176.094 -0.035 0.000 1.043 80 V CA -1.781 60.509 62.300 -0.017 0.000 0.915 80 V CB 0.891 32.723 31.823 0.015 0.000 0.988 80 V HN 0.109 nan 8.190 nan 0.000 0.466 81 P HA 0.114 nan 4.420 nan 0.000 0.225 81 P C -0.008 177.202 177.300 -0.150 0.000 1.768 81 P CA -0.334 62.654 63.100 -0.187 0.000 0.943 81 P CB -0.580 31.005 31.700 -0.191 0.000 1.936 82 F N -0.624 119.273 119.950 -0.088 0.000 2.535 82 F HA 0.232 4.759 4.527 0.000 0.000 0.332 82 F C 0.488 176.279 175.800 -0.016 0.000 1.208 82 F CA -0.686 57.290 58.000 -0.041 0.000 1.330 82 F CB -0.180 38.804 39.000 -0.027 0.000 1.167 82 F HN -0.132 nan 8.300 nan 0.000 0.597 83 N N 2.658 121.521 118.700 0.271 0.000 2.405 83 N HA 0.033 4.774 4.740 0.000 0.000 0.260 83 N C 0.330 176.012 175.510 0.287 0.000 1.152 83 N CA -0.205 52.949 53.050 0.173 0.000 0.948 83 N CB 1.190 39.800 38.487 0.205 0.000 1.111 83 N HN 0.655 nan 8.380 nan 0.000 0.485 84 K N 1.098 121.525 120.400 0.046 0.000 2.585 84 K HA -0.098 4.222 4.320 0.000 0.000 0.194 84 K C 0.960 177.788 176.600 0.379 0.000 1.037 84 K CA 0.640 57.032 56.287 0.176 0.000 0.964 84 K CB 0.042 32.463 32.500 -0.130 0.000 0.787 84 K HN 0.529 nan 8.250 nan 0.000 0.488 85 N N 0.183 119.083 118.700 0.334 0.000 2.214 85 N HA -0.063 4.677 4.740 0.000 0.000 0.214 85 N C -0.639 174.994 175.510 0.205 0.000 1.132 85 N CA 0.139 53.347 53.050 0.263 0.000 0.856 85 N CB 0.443 39.079 38.487 0.248 0.000 1.020 85 N HN -0.101 nan 8.380 nan 0.000 0.509 86 D N 1.527 122.077 120.400 0.250 0.000 2.462 86 D HA 0.094 4.734 4.640 0.000 0.000 0.249 86 D C 0.119 176.496 176.300 0.128 0.000 1.117 86 D CA -0.363 53.742 54.000 0.175 0.000 0.900 86 D CB 0.277 41.192 40.800 0.191 0.000 1.039 86 D HN 0.229 nan 8.370 nan 0.000 0.516 87 N N 2.480 121.225 118.700 0.075 0.000 2.314 87 N HA -0.042 4.698 4.740 0.000 0.000 0.200 87 N C 0.824 176.320 175.510 -0.024 0.000 1.135 87 N CA -0.029 53.028 53.050 0.011 0.000 0.835 87 N CB 0.421 38.921 38.487 0.023 0.000 0.989 87 N HN 0.157 nan 8.380 nan 0.000 0.478 88 V N 0.000 119.914 119.914 -0.000 0.000 2.490 88 V HA 0.075 4.196 4.120 0.000 0.000 0.238 88 V C 0.792 176.881 176.094 -0.009 0.000 1.056 88 V CA 0.480 62.775 62.300 -0.008 0.000 1.075 88 V CB -0.401 31.426 31.823 0.007 0.000 0.746 88 V HN 0.266 nan 8.190 nan 0.000 0.479 89 N N 1.304 120.011 118.700 0.012 0.000 2.424 89 N HA 0.279 5.019 4.740 0.000 0.000 0.257 89 N C -2.453 173.053 175.510 -0.007 0.000 1.250 89 N CA -1.000 52.057 53.050 0.011 0.000 0.946 89 N CB 0.524 39.033 38.487 0.037 0.000 1.175 89 N HN 0.221 nan 8.380 nan 0.000 0.477 90 P HA 0.244 nan 4.420 nan 0.000 0.279 90 P C -0.165 177.139 177.300 0.006 0.000 1.276 90 P CA -0.502 62.589 63.100 -0.015 0.000 0.801 90 P CB 0.809 32.499 31.700 -0.016 0.000 1.127 91 L N 1.477 122.704 121.223 0.007 0.000 2.525 91 L HA 0.038 4.378 4.340 0.000 0.000 0.278 91 L C -0.754 176.128 176.870 0.020 0.000 1.218 91 L CA -0.730 54.120 54.840 0.016 0.000 0.878 91 L CB -0.523 41.539 42.059 0.004 0.000 1.127 91 L HN 0.409 nan 8.230 nan 0.000 0.492 92 P HA 0.042 nan 4.420 nan 0.000 0.255 92 P C 0.784 178.148 177.300 0.107 0.000 1.248 92 P CA 0.217 63.351 63.100 0.057 0.000 0.807 92 P CB 0.427 32.145 31.700 0.029 0.000 1.150 93 E N 0.523 120.776 120.200 0.088 0.000 2.015 93 E HA 0.018 4.368 4.350 0.000 0.000 0.191 93 E C 1.231 177.936 176.600 0.176 0.000 0.991 93 E CA 1.264 57.733 56.400 0.115 0.000 0.802 93 E CB -0.320 29.428 29.700 0.080 0.000 0.759 93 E HN 0.284 nan 8.360 nan 0.000 0.447 94 G N -1.635 107.229 108.800 0.106 0.000 3.015 94 G HA2 0.523 4.483 3.960 0.000 0.000 0.281 94 G HA3 0.523 4.483 3.960 0.000 0.000 0.281 94 G C -1.771 173.062 174.900 -0.112 0.000 1.386 94 G CA -0.504 44.636 45.100 0.067 0.000 0.959 94 G HN 0.167 nan 8.290 nan 0.000 0.522 95 Y N -0.524 119.520 120.300 -0.427 0.000 2.521 95 Y HA 0.298 4.848 4.550 0.000 0.000 0.332 95 Y C 1.731 177.415 175.900 -0.361 0.000 1.121 95 Y CA -0.985 56.755 58.100 -0.601 0.000 1.037 95 Y CB 1.545 39.176 38.460 -1.382 0.000 1.330 95 Y HN 0.671 nan 8.280 nan 0.000 0.452 96 R N 1.294 121.234 120.500 -0.933 0.000 2.139 96 R HA -0.153 4.187 4.340 0.000 0.000 0.243 96 R C -0.659 175.274 176.300 -0.611 0.000 1.145 96 R CA 1.837 57.475 56.100 -0.769 0.000 0.976 96 R CB -0.601 29.172 30.300 -0.879 0.000 0.866 96 R HN 0.673 nan 8.270 nan 0.000 0.449 97 H N 0.407 119.100 119.070 -0.629 0.000 2.628 97 H HA 0.567 5.123 4.556 0.000 0.000 0.250 97 H C -0.387 175.136 175.328 0.325 0.000 1.442 97 H CA -0.506 55.451 56.048 -0.152 0.000 1.282 97 H CB 1.024 30.510 29.762 -0.461 0.000 1.487 97 H HN 0.385 nan 8.280 nan 0.000 0.544 98 A N 2.132 125.291 122.820 0.565 0.000 2.485 98 A HA 0.450 4.770 4.320 0.000 0.000 0.292 98 A C -0.832 177.005 177.584 0.421 0.000 1.147 98 A CA -1.002 51.370 52.037 0.559 0.000 0.750 98 A CB 1.500 20.729 19.000 0.381 0.000 1.331 98 A HN 0.600 nan 8.150 nan 0.000 0.419 99 Q N 0.694 120.681 119.800 0.312 0.000 2.509 99 Q HA 0.315 4.655 4.340 0.000 0.000 0.236 99 Q C -2.077 173.956 176.000 0.056 0.000 1.073 99 Q CA -1.736 54.135 55.803 0.113 0.000 0.867 99 Q CB 1.405 30.197 28.738 0.090 0.000 1.181 99 Q HN 0.431 nan 8.270 nan 0.000 0.526 100 P HA -0.163 nan 4.420 nan 0.000 0.223 100 P C 0.018 177.215 177.300 -0.172 0.000 1.151 100 P CA 1.156 64.191 63.100 -0.109 0.000 0.787 100 P CB 0.183 31.740 31.700 -0.239 0.000 0.788 101 Y N -1.243 118.996 120.300 -0.101 0.000 2.466 101 Y HA 0.122 4.672 4.550 0.000 0.000 0.272 101 Y C 2.084 177.884 175.900 -0.168 0.000 1.169 101 Y CA -0.357 57.659 58.100 -0.140 0.000 1.285 101 Y CB -0.336 38.006 38.460 -0.197 0.000 1.078 101 Y HN -0.197 nan 8.280 nan 0.000 0.523 102 L N 0.159 121.356 121.223 -0.045 0.000 1.991 102 L HA -0.382 3.958 4.340 0.000 0.000 0.221 102 L C 2.187 179.007 176.870 -0.082 0.000 1.079 102 L CA 1.852 56.542 54.840 -0.250 0.000 0.778 102 L CB -0.531 41.508 42.059 -0.033 0.000 0.893 102 L HN 0.235 nan 8.230 nan 0.000 0.437 103 K N -0.229 120.263 120.400 0.153 0.000 2.097 103 K HA -0.161 4.160 4.320 0.000 0.000 0.206 103 K C 1.791 178.554 176.600 0.270 0.000 1.049 103 K CA 1.722 58.160 56.287 0.252 0.000 0.933 103 K CB -0.334 32.314 32.500 0.246 0.000 0.717 103 K HN 0.381 nan 8.250 nan 0.000 0.442 104 N N 1.200 120.049 118.700 0.248 0.000 2.084 104 N HA -0.123 4.617 4.740 0.000 0.000 0.190 104 N C 1.686 177.499 175.510 0.505 0.000 1.030 104 N CA 1.021 54.303 53.050 0.387 0.000 0.849 104 N CB -0.277 38.352 38.487 0.237 0.000 1.012 104 N HN 0.070 nan 8.380 nan 0.000 0.423 105 L N -1.191 120.183 121.223 0.253 0.000 2.376 105 L HA -0.014 4.326 4.340 0.000 0.000 0.219 105 L C 0.603 177.760 176.870 0.478 0.000 1.133 105 L CA 0.473 55.453 54.840 0.232 0.000 0.816 105 L CB -0.055 42.060 42.059 0.093 0.000 0.933 105 L HN 0.336 nan 8.230 nan 0.000 0.449 106 W N -0.068 121.482 121.300 0.417 0.000 2.693 106 W HA 0.316 4.976 4.660 0.000 0.000 0.415 106 W C 0.085 176.661 176.519 0.096 0.000 0.932 106 W CA -1.667 55.822 57.345 0.241 0.000 2.200 106 W CB -0.473 29.056 29.460 0.114 0.000 1.188 106 W HN -0.096 nan 8.180 nan 0.000 0.665 107 L N 1.430 122.857 121.223 0.339 0.000 2.559 107 L HA 0.311 4.652 4.340 0.000 0.000 0.282 107 L C 1.495 178.384 176.870 0.030 0.000 1.232 107 L CA 2.311 57.212 54.840 0.103 0.000 0.885 107 L CB 0.501 42.532 42.059 -0.046 0.000 1.131 107 L HN 0.489 nan 8.230 nan 0.000 0.498 108 G N 2.270 111.060 108.800 -0.017 0.000 2.168 108 G HA2 -0.353 3.608 3.960 0.000 0.000 0.263 108 G HA3 -0.353 3.608 3.960 0.000 0.000 0.263 108 G C -0.243 174.582 174.900 -0.126 0.000 0.977 108 G CA 0.504 45.603 45.100 -0.003 0.000 0.659 108 G HN 0.822 nan 8.290 nan 0.000 0.533 109 Y N 0.029 120.002 120.300 -0.545 0.000 2.485 109 Y HA 0.600 5.150 4.550 0.000 0.000 0.345 109 Y C -1.766 173.863 175.900 -0.451 0.000 0.998 109 Y CA -2.096 55.555 58.100 -0.750 0.000 1.059 109 Y CB 1.979 39.420 38.460 -1.698 0.000 1.234 109 Y HN -0.056 nan 8.280 nan 0.000 0.461 110 P HA -0.181 nan 4.420 nan 0.000 0.217 110 P C 1.072 178.217 177.300 -0.258 0.000 1.148 110 P CA 1.688 64.551 63.100 -0.395 0.000 0.828 110 P CB -0.010 31.467 31.700 -0.372 0.000 0.783 111 F N -0.716 118.959 119.950 -0.458 0.000 2.583 111 F HA -0.077 4.451 4.527 0.000 0.000 0.297 111 F C 2.068 177.915 175.800 0.077 0.000 1.131 111 F CA 0.977 58.842 58.000 -0.224 0.000 1.467 111 F CB -1.042 37.598 39.000 -0.599 0.000 1.097 111 F HN -0.021 nan 8.300 nan 0.000 0.586 112 M N -2.744 116.915 119.600 0.097 0.000 2.595 112 M HA -0.022 4.458 4.480 0.000 0.000 0.248 112 M C 1.036 177.359 176.300 0.038 0.000 1.119 112 M CA 1.483 56.850 55.300 0.112 0.000 1.079 112 M CB -0.635 31.952 32.600 -0.022 0.000 1.472 112 M HN 0.124 nan 8.290 nan 0.000 0.501 113 Y N 0.702 121.065 120.300 0.104 0.000 2.301 113 Y HA 0.297 4.847 4.550 0.000 0.000 0.295 113 Y C 0.655 176.598 175.900 0.072 0.000 1.119 113 Y CA 0.171 58.304 58.100 0.056 0.000 1.162 113 Y CB 0.528 38.978 38.460 -0.017 0.000 1.046 113 Y HN 0.346 nan 8.280 nan 0.000 0.538 114 E N -0.951 119.378 120.200 0.215 0.000 2.422 114 E HA 0.196 4.546 4.350 0.000 0.000 0.289 114 E C -2.284 174.426 176.600 0.184 0.000 0.985 114 E CA -0.682 55.824 56.400 0.178 0.000 0.812 114 E CB 1.651 31.416 29.700 0.108 0.000 1.226 114 E HN -0.031 nan 8.360 nan 0.000 0.419 115 Y N 3.587 123.934 120.300 0.079 0.000 2.287 115 Y HA 0.486 5.036 4.550 0.000 0.000 0.321 115 Y C -1.806 174.138 175.900 0.074 0.000 1.173 115 Y CA -0.579 57.568 58.100 0.079 0.000 1.124 115 Y CB 1.001 39.650 38.460 0.316 0.000 1.201 115 Y HN 0.561 nan 8.280 nan 0.000 0.421 116 R N 2.605 122.965 120.500 -0.234 0.000 2.778 116 R HA 0.422 4.762 4.340 0.000 0.000 0.277 116 R C -0.902 175.089 176.300 -0.515 0.000 0.977 116 R CA -1.355 54.531 56.100 -0.357 0.000 0.950 116 R CB 1.452 31.640 30.300 -0.186 0.000 1.165 116 R HN 0.655 nan 8.270 nan 0.000 0.474 117 E N 1.593 121.405 120.200 -0.647 0.000 2.465 117 E HA 0.096 4.447 4.350 0.000 0.000 0.260 117 E C -0.813 175.615 176.600 -0.287 0.000 0.980 117 E CA 0.091 56.158 56.400 -0.555 0.000 0.927 117 E CB 0.664 29.894 29.700 -0.784 0.000 0.934 117 E HN 0.579 nan 8.360 nan 0.000 0.459 118 A N 5.402 128.122 122.820 -0.167 0.000 2.498 118 A HA 0.375 4.695 4.320 0.000 0.000 0.239 118 A C 0.226 177.783 177.584 -0.046 0.000 1.068 118 A CA 0.278 52.273 52.037 -0.071 0.000 0.766 118 A CB 0.101 19.091 19.000 -0.016 0.000 1.003 118 A HN 0.786 nan 8.150 nan 0.000 0.497 119 R N 1.545 122.044 120.500 -0.000 0.000 3.018 119 R HA 0.708 5.048 4.340 0.000 0.000 0.243 119 R C 0.445 176.816 176.300 0.119 0.000 1.315 119 R CA -0.334 55.797 56.100 0.050 0.000 1.039 119 R CB 0.191 30.512 30.300 0.035 0.000 1.315 119 R HN 0.904 nan 8.270 nan 0.000 0.492 120 G N -0.171 108.739 108.800 0.183 0.000 2.460 120 G HA2 -0.103 3.857 3.960 0.000 0.000 0.230 120 G HA3 -0.103 3.857 3.960 0.000 0.000 0.230 120 G C 0.129 175.128 174.900 0.166 0.000 1.248 120 G CA 0.046 45.237 45.100 0.151 0.000 0.863 120 G HN 0.777 nan 8.290 nan 0.000 0.549 121 H N 0.333 119.510 119.070 0.179 0.000 2.422 121 H HA -0.173 4.383 4.556 0.000 0.000 0.298 121 H C 2.851 178.208 175.328 0.048 0.000 1.098 121 H CA 1.697 57.817 56.048 0.119 0.000 1.315 121 H CB 0.197 30.060 29.762 0.168 0.000 1.382 121 H HN 0.654 nan 8.280 nan 0.000 0.523 122 T N -1.496 113.061 114.554 0.005 0.000 2.977 122 T HA -0.195 4.155 4.350 0.000 0.000 0.271 122 T C 1.295 175.893 174.700 -0.170 0.000 1.105 122 T CA 1.053 63.038 62.100 -0.190 0.000 1.116 122 T CB -0.327 68.241 68.868 -0.499 0.000 0.878 122 T HN 0.349 nan 8.240 nan 0.000 0.509 123 Y N 1.099 121.434 120.300 0.058 0.000 2.500 123 Y HA 0.596 5.146 4.550 0.000 0.000 0.270 123 Y C 2.708 178.654 175.900 0.077 0.000 1.134 123 Y CA -0.818 57.314 58.100 0.053 0.000 1.293 123 Y CB -0.765 37.711 38.460 0.027 0.000 1.063 123 Y HN 0.284 nan 8.280 nan 0.000 0.534 124 A N 0.779 123.728 122.820 0.215 0.000 1.915 124 A HA -0.255 4.065 4.320 0.000 0.000 0.220 124 A C 2.214 179.894 177.584 0.161 0.000 1.198 124 A CA 2.353 54.486 52.037 0.161 0.000 0.647 124 A CB -1.015 18.048 19.000 0.104 0.000 0.825 124 A HN 0.461 nan 8.150 nan 0.000 0.456 125 I N -1.180 119.488 120.570 0.165 0.000 2.202 125 I HA -0.278 3.893 4.170 0.000 0.000 0.242 125 I C 2.801 179.072 176.117 0.256 0.000 1.091 125 I CA 1.667 63.092 61.300 0.207 0.000 1.368 125 I CB -0.446 37.699 38.000 0.242 0.000 1.058 125 I HN 0.549 nan 8.210 nan 0.000 0.410 126 Q N 0.970 120.908 119.800 0.230 0.000 2.096 126 Q HA -0.292 4.048 4.340 0.000 0.000 0.208 126 Q C 1.620 177.736 176.000 0.193 0.000 0.993 126 Q CA 2.255 58.187 55.803 0.214 0.000 0.862 126 Q CB 0.007 28.883 28.738 0.229 0.000 0.915 126 Q HN 0.447 nan 8.270 nan 0.000 0.416 127 D N -0.670 119.836 120.400 0.176 0.000 2.224 127 D HA -0.107 4.533 4.640 0.000 0.000 0.205 127 D C 1.452 177.842 176.300 0.150 0.000 0.965 127 D CA 0.524 54.599 54.000 0.126 0.000 0.852 127 D CB -0.173 40.671 40.800 0.073 0.000 0.947 127 D HN 0.266 nan 8.370 nan 0.000 0.494 128 F N 1.126 121.073 119.950 -0.005 0.000 2.146 128 F HA -0.041 4.486 4.527 0.000 0.000 0.298 128 F C 2.000 177.737 175.800 -0.105 0.000 1.096 128 F CA 0.965 58.905 58.000 -0.101 0.000 1.275 128 F CB -0.104 38.789 39.000 -0.178 0.000 1.008 128 F HN -0.154 nan 8.300 nan 0.000 0.480 129 L N -0.710 120.584 121.223 0.117 0.000 2.478 129 L HA -0.146 4.194 4.340 0.000 0.000 0.223 129 L C 2.387 179.272 176.870 0.025 0.000 1.140 129 L CA 0.722 55.586 54.840 0.041 0.000 0.842 129 L CB -0.809 41.347 42.059 0.162 0.000 0.953 129 L HN 0.302 nan 8.230 nan 0.000 0.452 130 H N 0.159 119.206 119.070 -0.038 0.000 2.431 130 H HA 0.080 4.636 4.556 0.000 0.000 0.295 130 H C 0.960 176.234 175.328 -0.091 0.000 1.038 130 H CA -0.134 55.888 56.048 -0.044 0.000 1.360 130 H CB 0.480 30.232 29.762 -0.017 0.000 1.433 130 H HN 0.102 nan 8.280 nan 0.000 0.536 131 I N 2.311 122.841 120.570 -0.067 0.000 2.815 131 I HA -0.162 4.008 4.170 0.000 0.000 0.291 131 I C 1.208 177.208 176.117 -0.195 0.000 1.209 131 I CA 0.623 61.856 61.300 -0.111 0.000 1.431 131 I CB 0.533 38.432 38.000 -0.168 0.000 1.351 131 I HN 0.189 nan 8.210 nan 0.000 0.585 132 D N 4.237 124.555 120.400 -0.136 0.000 2.340 132 D HA 0.036 4.676 4.640 0.000 0.000 0.220 132 D C 1.669 177.904 176.300 -0.109 0.000 1.039 132 D CA 0.645 54.571 54.000 -0.123 0.000 0.866 132 D CB 0.265 41.027 40.800 -0.064 0.000 0.913 132 D HN 0.482 nan 8.370 nan 0.000 0.523 133 R N -0.197 120.236 120.500 -0.111 0.000 2.115 133 R HA 0.047 4.387 4.340 0.000 0.000 0.230 133 R C 0.454 176.667 176.300 -0.145 0.000 1.111 133 R CA 0.544 56.585 56.100 -0.099 0.000 0.976 133 R CB -0.014 30.127 30.300 -0.265 0.000 0.870 133 R HN 0.271 nan 8.270 nan 0.000 0.445 134 I N 2.333 122.764 120.570 -0.232 0.000 2.395 134 I HA -0.003 4.168 4.170 0.000 0.000 0.289 134 I C 0.285 176.301 176.117 -0.170 0.000 1.023 134 I CA -0.631 60.527 61.300 -0.237 0.000 1.350 134 I CB 0.688 38.457 38.000 -0.385 0.000 1.409 134 I HN -0.065 nan 8.210 nan 0.000 0.507 135 N N 5.550 124.186 118.700 -0.107 0.000 2.440 135 N HA 0.037 4.777 4.740 0.000 0.000 0.265 135 N C 0.475 175.966 175.510 -0.032 0.000 1.239 135 N CA 0.616 53.639 53.050 -0.046 0.000 0.909 135 N CB 0.475 38.961 38.487 -0.002 0.000 1.066 135 N HN 0.434 nan 8.380 nan 0.000 0.474 136 R N 2.615 123.080 120.500 -0.057 0.000 2.437 136 R HA 0.126 4.467 4.340 0.000 0.000 0.257 136 R C 0.081 176.221 176.300 -0.267 0.000 0.927 136 R CA 0.142 56.163 56.100 -0.131 0.000 1.078 136 R CB 0.398 30.511 30.300 -0.311 0.000 1.161 136 R HN 0.603 nan 8.270 nan 0.000 0.529 137 Y N -0.623 119.673 120.300 -0.006 0.000 2.507 137 Y HA 0.443 4.993 4.550 0.000 0.000 0.254 137 Y C 0.609 176.501 175.900 -0.013 0.000 1.171 137 Y CA -0.417 57.666 58.100 -0.028 0.000 1.238 137 Y CB 0.960 39.378 38.460 -0.070 0.000 1.148 137 Y HN -0.019 nan 8.280 nan 0.000 0.525 138 A N -0.719 122.171 122.820 0.117 0.000 2.530 138 A HA 0.529 4.849 4.320 0.000 0.000 0.288 138 A C 0.672 178.326 177.584 0.117 0.000 1.172 138 A CA -0.571 51.517 52.037 0.086 0.000 0.733 138 A CB 1.123 20.167 19.000 0.073 0.000 1.320 138 A HN -0.015 nan 8.150 nan 0.000 0.419 139 E N 0.451 120.705 120.200 0.090 0.000 2.047 139 E HA -0.059 4.291 4.350 0.000 0.000 0.191 139 E C -0.034 176.677 176.600 0.186 0.000 0.987 139 E CA 1.140 57.627 56.400 0.144 0.000 0.799 139 E CB -0.093 29.648 29.700 0.068 0.000 0.752 139 E HN 0.496 nan 8.360 nan 0.000 0.449 140 K N 0.289 120.748 120.400 0.098 0.000 2.258 140 K HA 0.210 4.531 4.320 0.000 0.000 0.284 140 K C 1.081 177.707 176.600 0.043 0.000 1.051 140 K CA 0.029 56.352 56.287 0.059 0.000 0.923 140 K CB 1.350 33.869 32.500 0.032 0.000 1.046 140 K HN 0.050 nan 8.250 nan 0.000 0.474 141 G N 1.827 110.631 108.800 0.007 0.000 2.498 141 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 141 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 141 G C 1.034 175.920 174.900 -0.023 0.000 1.119 141 G CA 0.660 45.739 45.100 -0.035 0.000 0.766 141 G HN 0.947 nan 8.290 nan 0.000 0.552 142 G N -1.343 107.457 108.800 -0.001 0.000 2.168 142 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 142 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 142 G C 0.197 175.106 174.900 0.016 0.000 0.977 142 G CA 0.696 45.804 45.100 0.013 0.000 0.659 142 G HN 0.595 nan 8.290 nan 0.000 0.533 143 L N 0.089 121.311 121.223 -0.001 0.000 2.350 143 L HA 0.589 4.929 4.340 0.000 0.000 0.260 143 L C -2.309 174.546 176.870 -0.026 0.000 1.015 143 L CA -2.697 52.148 54.840 0.009 0.000 0.821 143 L CB 2.558 44.628 42.059 0.018 0.000 1.370 143 L HN -0.163 nan 8.230 nan 0.000 0.416 144 P HA 0.135 nan 4.420 nan 0.000 0.274 144 P C -0.012 177.253 177.300 -0.058 0.000 1.231 144 P CA -0.388 62.618 63.100 -0.157 0.000 0.790 144 P CB 0.949 32.391 31.700 -0.430 0.000 0.951 145 A N 1.942 124.734 122.820 -0.047 0.000 2.131 145 A HA -0.165 4.155 4.320 0.000 0.000 0.220 145 A C 1.839 179.568 177.584 0.242 0.000 1.158 145 A CA 2.023 54.074 52.037 0.023 0.000 0.665 145 A CB -1.870 16.766 19.000 -0.607 0.000 0.795 145 A HN 0.575 nan 8.150 nan 0.000 0.460 146 T N -0.655 114.036 114.554 0.227 0.000 2.822 146 T HA -0.234 4.117 4.350 0.000 0.000 0.270 146 T C 1.730 176.662 174.700 0.386 0.000 1.064 146 T CA 1.481 63.851 62.100 0.449 0.000 1.131 146 T CB -0.884 68.058 68.868 0.124 0.000 0.858 146 T HN 0.647 nan 8.240 nan 0.000 0.483 147 C N 0.062 119.533 119.300 0.285 0.000 2.411 147 C HA -0.110 4.350 4.460 0.000 0.000 0.279 147 C C 2.251 177.297 174.990 0.094 0.000 1.288 147 C CA -0.153 59.034 59.018 0.281 0.000 1.764 147 C CB -1.630 26.295 27.740 0.308 0.000 1.974 147 C HN 0.742 nan 8.230 nan 0.000 0.498 148 W N 1.102 122.501 121.300 0.164 0.000 2.525 148 W HA -0.047 4.613 4.660 0.000 0.000 0.259 148 W C 2.237 178.777 176.519 0.034 0.000 1.253 148 W CA 0.975 58.314 57.345 -0.009 0.000 1.262 148 W CB -0.854 28.741 29.460 0.224 0.000 1.122 148 W HN 0.394 nan 8.180 nan 0.000 0.607 149 N N -0.157 118.756 118.700 0.355 0.000 2.132 149 N HA -0.199 4.541 4.740 0.000 0.000 0.191 149 N C 0.613 176.176 175.510 0.089 0.000 1.015 149 N CA 1.770 54.984 53.050 0.274 0.000 0.864 149 N CB -0.330 38.351 38.487 0.322 0.000 1.006 149 N HN -0.004 nan 8.380 nan 0.000 0.430 150 C N -0.278 119.029 119.300 0.013 0.000 2.638 150 C HA 0.419 4.879 4.460 0.000 0.000 0.282 150 C C 0.888 175.816 174.990 -0.103 0.000 1.473 150 C CA -0.738 58.243 59.018 -0.060 0.000 1.781 150 C CB -0.371 27.319 27.740 -0.084 0.000 2.780 150 C HN 0.287 nan 8.230 nan 0.000 0.531 151 K N 0.306 120.650 120.400 -0.094 0.000 2.450 151 K HA 0.203 4.523 4.320 0.000 0.000 0.206 151 K C 0.358 176.929 176.600 -0.049 0.000 1.148 151 K CA 0.500 56.711 56.287 -0.127 0.000 1.014 151 K CB 1.076 33.363 32.500 -0.355 0.000 0.966 151 K HN 0.369 nan 8.250 nan 0.000 0.566 152 T N 1.389 115.913 114.554 -0.051 0.000 3.159 152 T HA 0.202 4.552 4.350 0.000 0.000 0.343 152 T C -2.821 171.752 174.700 -0.211 0.000 1.364 152 T CA -1.080 60.964 62.100 -0.094 0.000 1.102 152 T CB 1.809 70.633 68.868 -0.073 0.000 1.263 152 T HN -0.219 nan 8.240 nan 0.000 0.477 153 P HA 0.129 nan 4.420 nan 0.000 0.251 153 P C 0.724 177.760 177.300 -0.439 0.000 1.251 153 P CA 0.219 63.168 63.100 -0.251 0.000 0.763 153 P CB 0.186 31.799 31.700 -0.146 0.000 1.067 154 K N -0.496 119.489 120.400 -0.691 0.000 2.305 154 K HA 0.084 4.405 4.320 0.000 0.000 0.199 154 K C 2.080 177.889 176.600 -1.317 0.000 1.047 154 K CA 0.523 56.078 56.287 -1.221 0.000 0.976 154 K CB -0.521 30.904 32.500 -1.792 0.000 0.765 154 K HN -0.167 nan 8.250 nan 0.000 0.474 155 M N 0.079 119.172 119.600 -0.846 0.000 2.116 155 M HA -0.272 4.208 4.480 0.000 0.000 0.255 155 M C 1.924 177.897 176.300 -0.546 0.000 1.075 155 M CA 1.876 56.827 55.300 -0.582 0.000 1.087 155 M CB -0.760 31.657 32.600 -0.306 0.000 1.340 155 M HN 0.250 nan 8.290 nan 0.000 0.402 156 M N -0.514 118.821 119.600 -0.442 0.000 2.067 156 M HA -0.213 4.267 4.480 0.000 0.000 0.260 156 M C 1.976 178.084 176.300 -0.321 0.000 1.069 156 M CA 1.699 56.807 55.300 -0.321 0.000 1.117 156 M CB -0.474 31.987 32.600 -0.232 0.000 1.334 156 M HN 0.270 nan 8.290 nan 0.000 0.407 157 E N -0.491 119.478 120.200 -0.385 0.000 2.038 157 E HA -0.221 4.129 4.350 0.000 0.000 0.195 157 E C 1.929 178.429 176.600 -0.167 0.000 1.000 157 E CA 1.429 57.663 56.400 -0.278 0.000 0.803 157 E CB -0.350 29.145 29.700 -0.340 0.000 0.750 157 E HN 0.551 nan 8.360 nan 0.000 0.448 158 W N 0.781 121.829 121.300 -0.421 0.000 2.321 158 W HA -0.138 4.522 4.660 0.000 0.000 0.306 158 W C 2.277 178.425 176.519 -0.618 0.000 1.217 158 W CA 0.447 57.471 57.345 -0.535 0.000 1.257 158 W CB -1.166 27.742 29.460 -0.921 0.000 1.145 158 W HN -0.042 nan 8.180 nan 0.000 0.509 159 V N 0.313 119.924 119.914 -0.505 0.000 2.453 159 V HA -0.230 3.891 4.120 0.000 0.000 0.247 159 V C 2.391 178.354 176.094 -0.218 0.000 1.048 159 V CA 1.986 64.002 62.300 -0.474 0.000 1.049 159 V CB -0.681 30.858 31.823 -0.473 0.000 0.672 159 V HN 0.092 nan 8.190 nan 0.000 0.457 160 K N 0.102 120.400 120.400 -0.170 0.000 2.097 160 K HA -0.235 4.085 4.320 0.000 0.000 0.206 160 K C 2.171 178.739 176.600 -0.054 0.000 1.049 160 K CA 1.867 58.097 56.287 -0.095 0.000 0.933 160 K CB -0.059 32.387 32.500 -0.090 0.000 0.717 160 K HN 0.549 nan 8.250 nan 0.000 0.442 161 E N -0.603 119.576 120.200 -0.035 0.000 2.158 161 E HA -0.052 4.299 4.350 0.000 0.000 0.191 161 E C 0.612 177.224 176.600 0.021 0.000 0.982 161 E CA 1.091 57.500 56.400 0.014 0.000 0.823 161 E CB 0.315 30.058 29.700 0.071 0.000 0.766 161 E HN 0.222 nan 8.360 nan 0.000 0.468 162 S N -0.674 115.035 115.700 0.015 0.000 2.666 162 S HA 0.303 4.773 4.470 0.000 0.000 0.239 162 S C 0.669 175.274 174.600 0.009 0.000 1.031 162 S CA 0.028 58.250 58.200 0.037 0.000 1.015 162 S CB 1.260 64.528 63.200 0.113 0.000 0.981 162 S HN 0.536 nan 8.310 nan 0.000 0.547 163 G N 3.222 112.003 108.800 -0.032 0.000 2.614 163 G HA2 -0.383 3.577 3.960 0.000 0.000 0.303 163 G HA3 -0.383 3.577 3.960 0.000 0.000 0.303 163 G C 0.245 175.143 174.900 -0.003 0.000 1.270 163 G CA 0.759 45.849 45.100 -0.017 0.000 0.988 163 G HN 0.338 nan 8.290 nan 0.000 0.551 164 D N 0.920 121.369 120.400 0.083 0.000 2.265 164 D HA -0.013 4.628 4.640 0.000 0.000 0.208 164 D C 2.444 178.842 176.300 0.165 0.000 0.977 164 D CA 1.816 55.928 54.000 0.186 0.000 0.871 164 D CB -0.851 40.050 40.800 0.168 0.000 0.925 164 D HN 0.682 nan 8.370 nan 0.000 0.485 165 G N -0.623 108.224 108.800 0.077 0.000 2.650 165 G HA2 -0.171 3.790 3.960 0.000 0.000 0.214 165 G HA3 -0.171 3.790 3.960 0.000 0.000 0.214 165 G C 1.300 176.212 174.900 0.019 0.000 1.136 165 G CA -0.196 44.941 45.100 0.062 0.000 0.789 165 G HN 0.238 nan 8.290 nan 0.000 0.536 166 F N 0.824 120.632 119.950 -0.237 0.000 2.075 166 F HA -0.085 4.442 4.527 0.000 0.000 0.297 166 F C 2.275 177.945 175.800 -0.217 0.000 1.113 166 F CA 1.564 59.365 58.000 -0.331 0.000 1.218 166 F CB -0.277 38.340 39.000 -0.638 0.000 0.984 166 F HN 0.244 nan 8.300 nan 0.000 0.472 167 W N 0.331 121.662 121.300 0.051 0.000 2.331 167 W HA -0.111 4.549 4.660 0.000 0.000 0.291 167 W C 2.368 178.770 176.519 -0.194 0.000 1.214 167 W CA 1.042 58.346 57.345 -0.069 0.000 1.228 167 W CB -0.916 28.584 29.460 0.067 0.000 1.135 167 W HN 0.124 nan 8.180 nan 0.000 0.537 168 A N -0.121 122.740 122.820 0.068 0.000 2.275 168 A HA 0.114 4.435 4.320 0.000 0.000 0.212 168 A C 0.897 178.452 177.584 -0.048 0.000 1.201 168 A CA -0.124 51.927 52.037 0.023 0.000 0.843 168 A CB -0.372 18.669 19.000 0.069 0.000 0.873 168 A HN 0.091 nan 8.150 nan 0.000 0.492 169 K N 0.697 121.023 120.400 -0.123 0.000 2.230 169 K HA 0.160 4.480 4.320 0.000 0.000 0.253 169 K C -0.430 176.111 176.600 -0.098 0.000 1.008 169 K CA -0.240 55.969 56.287 -0.129 0.000 0.910 169 K CB 0.355 32.746 32.500 -0.181 0.000 0.994 169 K HN 0.322 nan 8.250 nan 0.000 0.495 170 D N 0.212 120.564 120.400 -0.080 0.000 2.399 170 D HA -0.066 4.574 4.640 0.000 0.000 0.241 170 D C 0.802 177.111 176.300 0.015 0.000 1.133 170 D CA 0.030 54.006 54.000 -0.040 0.000 0.890 170 D CB 1.188 41.965 40.800 -0.039 0.000 1.201 170 D HN 0.171 nan 8.370 nan 0.000 0.432 171 V N 3.425 123.377 119.914 0.064 0.000 2.515 171 V HA -0.163 3.957 4.120 0.000 0.000 0.250 171 V C 1.417 177.680 176.094 0.282 0.000 1.058 171 V CA 1.541 63.984 62.300 0.238 0.000 1.064 171 V CB -0.636 31.247 31.823 0.100 0.000 0.675 171 V HN 0.552 nan 8.190 nan 0.000 0.461 172 N N 0.435 119.147 118.700 0.020 0.000 2.443 172 N HA -0.141 4.599 4.740 0.000 0.000 0.184 172 N C 1.655 177.066 175.510 -0.164 0.000 1.037 172 N CA 1.190 54.149 53.050 -0.152 0.000 0.896 172 N CB -0.240 38.123 38.487 -0.207 0.000 0.959 172 N HN 0.650 nan 8.380 nan 0.000 0.442 173 E N -1.003 119.078 120.200 -0.199 0.000 2.204 173 E HA -0.088 4.262 4.350 0.000 0.000 0.195 173 E C 0.491 176.645 176.600 -0.743 0.000 0.990 173 E CA 0.773 56.869 56.400 -0.507 0.000 0.821 173 E CB -0.024 29.208 29.700 -0.781 0.000 0.750 173 E HN 0.432 nan 8.360 nan 0.000 0.477 174 F N -0.685 119.080 119.950 -0.309 0.000 2.704 174 F HA 0.239 4.766 4.527 0.000 0.000 0.304 174 F C 2.017 177.644 175.800 -0.289 0.000 1.094 174 F CA -0.396 57.254 58.000 -0.583 0.000 1.275 174 F CB 0.171 38.273 39.000 -1.498 0.000 1.073 174 F HN -0.188 nan 8.300 nan 0.000 0.586 175 R N 1.437 122.014 120.500 0.129 0.000 2.165 175 R HA -0.237 4.103 4.340 0.000 0.000 0.254 175 R C 1.169 177.527 176.300 0.097 0.000 1.153 175 R CA 2.441 58.632 56.100 0.151 0.000 0.971 175 R CB -0.374 29.645 30.300 -0.468 0.000 0.878 175 R HN 0.341 nan 8.270 nan 0.000 0.449 176 D N -1.380 119.050 120.400 0.050 0.000 2.369 176 D HA -0.009 4.631 4.640 0.000 0.000 0.211 176 D C 0.208 176.593 176.300 0.141 0.000 1.077 176 D CA 0.175 54.263 54.000 0.148 0.000 0.842 176 D CB 0.231 41.171 40.800 0.233 0.000 0.947 176 D HN 0.169 nan 8.370 nan 0.000 0.509 177 K N 0.497 120.968 120.400 0.118 0.000 2.814 177 K HA 0.406 4.726 4.320 0.000 0.000 0.213 177 K C -0.426 176.327 176.600 0.255 0.000 1.113 177 K CA -0.145 56.237 56.287 0.159 0.000 1.145 177 K CB 0.782 33.349 32.500 0.112 0.000 0.948 177 K HN 0.168 nan 8.250 nan 0.000 0.464 178 I N -0.499 120.218 120.570 0.244 0.000 2.841 178 I HA 0.160 4.331 4.170 0.000 0.000 0.298 178 I C -1.823 174.480 176.117 0.309 0.000 1.304 178 I CA -0.771 60.709 61.300 0.299 0.000 1.019 178 I CB 2.128 40.285 38.000 0.260 0.000 1.282 178 I HN -0.029 nan 8.210 nan 0.000 0.432 179 D N 6.953 127.583 120.400 0.383 0.000 2.317 179 D HA 0.195 4.836 4.640 0.000 0.000 0.234 179 D C 0.696 177.077 176.300 0.135 0.000 1.112 179 D CA -0.293 53.792 54.000 0.141 0.000 0.840 179 D CB 1.739 42.480 40.800 -0.098 0.000 1.078 179 D HN 0.667 nan 8.370 nan 0.000 0.486 180 M N 3.747 123.437 119.600 0.152 0.000 2.149 180 M HA -0.182 4.299 4.480 0.000 0.000 0.261 180 M C 1.836 178.211 176.300 0.126 0.000 1.064 180 M CA 1.612 57.013 55.300 0.169 0.000 1.102 180 M CB 0.253 32.953 32.600 0.166 0.000 1.369 180 M HN 0.311 nan 8.290 nan 0.000 0.408 181 K N -0.963 119.484 120.400 0.080 0.000 2.168 181 K HA -0.096 4.224 4.320 0.000 0.000 0.201 181 K C 1.332 177.968 176.600 0.061 0.000 1.049 181 K CA 1.039 57.367 56.287 0.068 0.000 0.974 181 K CB 0.161 32.694 32.500 0.057 0.000 0.792 181 K HN 0.105 nan 8.250 nan 0.000 0.463 182 D N -0.085 120.296 120.400 -0.031 0.000 2.317 182 D HA -0.037 4.603 4.640 0.000 0.000 0.211 182 D C 0.382 176.607 176.300 -0.125 0.000 0.966 182 D CA 0.956 54.893 54.000 -0.105 0.000 0.876 182 D CB 0.242 40.890 40.800 -0.253 0.000 0.927 182 D HN 0.360 nan 8.370 nan 0.000 0.519 183 H N -1.303 117.808 119.070 0.068 0.000 2.528 183 H HA 0.211 4.768 4.556 0.000 0.000 0.282 183 H C 0.215 175.555 175.328 0.021 0.000 1.097 183 H CA -0.281 55.777 56.048 0.015 0.000 1.121 183 H CB 0.578 30.319 29.762 -0.035 0.000 1.590 183 H HN -0.087 nan 8.280 nan 0.000 0.553 184 T N -0.254 114.394 114.554 0.157 0.000 2.754 184 T HA 0.132 4.482 4.350 0.000 0.000 0.286 184 T C 1.040 175.790 174.700 0.085 0.000 0.997 184 T CA -0.754 61.421 62.100 0.125 0.000 0.982 184 T CB 1.200 70.154 68.868 0.143 0.000 1.027 184 T HN 0.156 nan 8.240 nan 0.000 0.529 185 I N 2.127 122.715 120.570 0.029 0.000 3.718 185 I HA -0.009 4.161 4.170 0.000 0.000 0.339 185 I C 1.351 177.448 176.117 -0.033 0.000 1.009 185 I CA 0.086 61.338 61.300 -0.080 0.000 3.044 185 I CB -1.584 36.278 38.000 -0.231 0.000 1.908 185 I HN 0.759 nan 8.210 nan 0.000 1.422 186 G N 1.057 109.830 108.800 -0.044 0.000 2.671 186 G HA2 0.225 4.185 3.960 0.000 0.000 0.275 186 G HA3 0.225 4.185 3.960 0.000 0.000 0.275 186 G C 1.050 175.787 174.900 -0.271 0.000 1.368 186 G CA -0.232 44.769 45.100 -0.165 0.000 1.044 186 G HN 0.494 nan 8.290 nan 0.000 0.543 187 C N 0.013 119.000 119.300 -0.520 0.000 2.385 187 C HA -0.092 4.368 4.460 0.000 0.000 0.275 187 C C 3.338 178.105 174.990 -0.371 0.000 1.199 187 C CA 1.196 59.856 59.018 -0.596 0.000 1.782 187 C CB -1.542 25.238 27.740 -1.599 0.000 2.068 187 C HN 0.719 nan 8.230 nan 0.000 0.471 188 A N 0.817 123.442 122.820 -0.325 0.000 2.121 188 A HA -0.088 4.232 4.320 0.000 0.000 0.218 188 A C 2.106 179.647 177.584 -0.071 0.000 1.154 188 A CA 2.022 54.035 52.037 -0.042 0.000 0.679 188 A CB -0.843 18.206 19.000 0.083 0.000 0.795 188 A HN 0.668 nan 8.150 nan 0.000 0.458 189 T N -1.898 112.580 114.554 -0.127 0.000 2.951 189 T HA -0.097 4.253 4.350 0.000 0.000 0.268 189 T C 1.474 176.087 174.700 -0.145 0.000 1.073 189 T CA 1.496 63.511 62.100 -0.141 0.000 1.134 189 T CB -0.324 68.434 68.868 -0.183 0.000 0.884 189 T HN 0.565 nan 8.240 nan 0.000 0.479 190 C N -0.281 118.923 119.300 -0.161 0.000 3.545 190 C HA 0.296 4.756 4.460 0.000 0.000 0.368 190 C C 0.495 175.287 174.990 -0.329 0.000 1.400 190 C CA -0.625 58.243 59.018 -0.250 0.000 1.848 190 C CB -0.136 27.405 27.740 -0.331 0.000 2.576 190 C HN 0.512 nan 8.230 nan 0.000 0.683 191 H N 1.454 120.488 119.070 -0.059 0.000 2.495 191 H HA 0.219 4.775 4.556 0.000 0.000 0.348 191 H C -0.899 174.451 175.328 0.037 0.000 1.113 191 H CA -0.117 55.919 56.048 -0.019 0.000 1.195 191 H CB 1.153 30.877 29.762 -0.062 0.000 1.521 191 H HN 0.303 nan 8.280 nan 0.000 0.509 192 D N 4.137 124.639 120.400 0.170 0.000 2.450 192 D HA -0.016 4.624 4.640 0.000 0.000 0.247 192 D C -1.739 174.682 176.300 0.201 0.000 1.162 192 D CA -1.154 52.932 54.000 0.144 0.000 0.879 192 D CB 1.656 42.522 40.800 0.109 0.000 1.163 192 D HN 0.227 nan 8.370 nan 0.000 0.472 193 P HA -0.109 nan 4.420 nan 0.000 0.220 193 P C 0.953 178.317 177.300 0.108 0.000 1.148 193 P CA 1.218 64.436 63.100 0.198 0.000 0.803 193 P CB 0.289 32.045 31.700 0.094 0.000 0.782 194 Q N -1.310 118.547 119.800 0.095 0.000 2.134 194 Q HA -0.015 4.325 4.340 0.000 0.000 0.195 194 Q C 2.008 178.088 176.000 0.133 0.000 0.958 194 Q CA 1.871 57.723 55.803 0.082 0.000 0.840 194 Q CB -0.722 28.050 28.738 0.056 0.000 0.918 194 Q HN 0.307 nan 8.270 nan 0.000 0.467 195 T N -2.239 112.403 114.554 0.146 0.000 3.051 195 T HA 0.106 4.456 4.350 0.000 0.000 0.255 195 T C 1.148 175.996 174.700 0.247 0.000 1.085 195 T CA 0.099 62.309 62.100 0.184 0.000 1.109 195 T CB 0.328 69.281 68.868 0.141 0.000 0.921 195 T HN 0.082 nan 8.240 nan 0.000 0.488 196 M N -0.448 119.271 119.600 0.198 0.000 2.939 196 M HA -0.117 4.363 4.480 0.000 0.000 0.194 196 M C -0.399 176.077 176.300 0.293 0.000 0.617 196 M CA 0.479 55.867 55.300 0.147 0.000 0.734 196 M CB -2.249 30.238 32.600 -0.187 0.000 2.637 196 M HN 0.384 nan 8.290 nan 0.000 0.316 197 E N 1.269 121.609 120.200 0.233 0.000 2.481 197 E HA 0.178 4.528 4.350 0.000 0.000 0.263 197 E C 0.423 177.104 176.600 0.135 0.000 0.992 197 E CA -0.037 56.472 56.400 0.182 0.000 0.938 197 E CB 0.516 30.291 29.700 0.124 0.000 0.933 197 E HN 0.483 nan 8.360 nan 0.000 0.453 198 L N 2.961 124.226 121.223 0.069 0.000 2.485 198 L HA 0.072 4.413 4.340 0.000 0.000 0.275 198 L C 1.067 177.916 176.870 -0.035 0.000 1.207 198 L CA 0.775 55.581 54.840 -0.057 0.000 0.855 198 L CB 0.303 42.336 42.059 -0.044 0.000 1.114 198 L HN 0.258 nan 8.230 nan 0.000 0.485 199 R N 2.701 123.153 120.500 -0.081 0.000 2.668 199 R HA 0.550 4.890 4.340 0.000 0.000 0.272 199 R C -1.445 174.820 176.300 -0.058 0.000 1.019 199 R CA -0.823 55.250 56.100 -0.045 0.000 0.894 199 R CB 2.048 32.330 30.300 -0.030 0.000 1.228 199 R HN 0.485 nan 8.270 nan 0.000 0.460 200 I N 2.349 122.897 120.570 -0.036 0.000 2.359 200 I HA 0.141 4.312 4.170 0.000 0.000 0.284 200 I C 1.340 177.430 176.117 -0.044 0.000 1.018 200 I CA -0.110 61.166 61.300 -0.040 0.000 1.173 200 I CB 1.984 39.973 38.000 -0.019 0.000 1.326 200 I HN 0.749 nan 8.210 nan 0.000 0.462 201 T N -0.002 114.516 114.554 -0.060 0.000 3.057 201 T HA 0.039 4.389 4.350 0.000 0.000 0.254 201 T C 0.999 175.661 174.700 -0.063 0.000 1.094 201 T CA -0.159 61.902 62.100 -0.066 0.000 1.088 201 T CB 0.153 68.971 68.868 -0.083 0.000 0.934 201 T HN 0.441 nan 8.240 nan 0.000 0.497 202 S N 0.814 116.478 115.700 -0.058 0.000 2.533 202 S HA 0.214 4.684 4.470 0.000 0.000 0.282 202 S C 1.336 175.888 174.600 -0.079 0.000 1.304 202 S CA -0.623 57.544 58.200 -0.056 0.000 1.063 202 S CB 0.711 63.885 63.200 -0.044 0.000 0.881 202 S HN 0.206 nan 8.310 nan 0.000 0.493 203 V N 7.006 126.883 119.914 -0.063 0.000 2.407 203 V HA 0.023 4.144 4.120 0.000 0.000 0.245 203 V C -0.586 175.361 176.094 -0.244 0.000 1.041 203 V CA 1.125 63.379 62.300 -0.077 0.000 1.040 203 V CB -1.509 30.361 31.823 0.079 0.000 0.671 203 V HN 0.761 nan 8.190 nan 0.000 0.455 204 P HA -0.151 nan 4.420 nan 0.000 0.217 204 P C 1.972 178.725 177.300 -0.912 0.000 1.150 204 P CA 1.315 63.925 63.100 -0.817 0.000 0.832 204 P CB 0.101 31.069 31.700 -1.221 0.000 0.787 205 L N -0.223 120.623 121.223 -0.629 0.000 2.109 205 L HA -0.032 4.308 4.340 0.000 0.000 0.207 205 L C 2.293 179.100 176.870 -0.105 0.000 1.086 205 L CA 1.966 56.636 54.840 -0.284 0.000 0.760 205 L CB -1.455 40.587 42.059 -0.028 0.000 0.910 205 L HN -0.101 nan 8.230 nan 0.000 0.437 206 T N -0.531 113.948 114.554 -0.125 0.000 2.746 206 T HA -0.167 4.183 4.350 0.000 0.000 0.267 206 T C 1.428 176.076 174.700 -0.086 0.000 1.039 206 T CA 1.530 63.586 62.100 -0.073 0.000 1.142 206 T CB -0.354 68.474 68.868 -0.067 0.000 0.866 206 T HN 0.371 nan 8.240 nan 0.000 0.444 207 D N 0.176 120.489 120.400 -0.146 0.000 2.104 207 D HA -0.108 4.532 4.640 0.000 0.000 0.194 207 D C 1.685 177.926 176.300 -0.097 0.000 0.994 207 D CA 1.151 55.067 54.000 -0.139 0.000 0.830 207 D CB -0.491 40.183 40.800 -0.210 0.000 0.959 207 D HN 0.528 nan 8.370 nan 0.000 0.452 208 Y N 1.192 121.360 120.300 -0.219 0.000 2.163 208 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 208 Y C 2.260 178.162 175.900 0.004 0.000 1.136 208 Y CA 1.230 59.263 58.100 -0.111 0.000 1.147 208 Y CB -0.387 37.994 38.460 -0.132 0.000 0.987 208 Y HN -0.106 nan 8.280 nan 0.000 0.509 209 L N -0.676 120.502 121.223 -0.075 0.000 2.013 209 L HA -0.285 4.056 4.340 0.000 0.000 0.212 209 L C 2.395 179.172 176.870 -0.154 0.000 1.073 209 L CA 1.541 56.312 54.840 -0.115 0.000 0.753 209 L CB -0.838 41.240 42.059 0.032 0.000 0.890 209 L HN 0.173 nan 8.230 nan 0.000 0.432 210 V N -0.191 119.660 119.914 -0.105 0.000 2.392 210 V HA -0.281 3.839 4.120 0.000 0.000 0.249 210 V C 2.643 178.674 176.094 -0.105 0.000 1.059 210 V CA 1.995 64.245 62.300 -0.083 0.000 1.051 210 V CB -0.638 31.151 31.823 -0.057 0.000 0.658 210 V HN 0.669 nan 8.190 nan 0.000 0.455 211 S N -0.585 115.028 115.700 -0.146 0.000 2.447 211 S HA -0.185 4.285 4.470 0.000 0.000 0.233 211 S C 1.707 176.212 174.600 -0.158 0.000 1.006 211 S CA 0.834 58.957 58.200 -0.128 0.000 0.957 211 S CB -0.277 62.863 63.200 -0.100 0.000 0.773 211 S HN 0.593 nan 8.310 nan 0.000 0.507 212 Q N 0.661 120.308 119.800 -0.254 0.000 2.403 212 Q HA 0.254 4.594 4.340 0.000 0.000 0.203 212 Q C 1.394 177.340 176.000 -0.091 0.000 0.932 212 Q CA 0.651 56.339 55.803 -0.192 0.000 0.945 212 Q CB -0.001 28.569 28.738 -0.280 0.000 1.045 212 Q HN 0.814 nan 8.270 nan 0.000 0.511 213 G N 1.459 110.213 108.800 -0.076 0.000 2.147 213 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 213 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 213 G C -0.038 174.847 174.900 -0.024 0.000 1.005 213 G CA 0.199 45.276 45.100 -0.038 0.000 0.713 213 G HN 0.232 nan 8.290 nan 0.000 0.515 214 K N 0.053 120.433 120.400 -0.033 0.000 2.098 214 K HA 0.447 4.767 4.320 0.000 0.000 0.258 214 K C -0.999 175.602 176.600 0.000 0.000 0.973 214 K CA -0.809 55.476 56.287 -0.003 0.000 0.898 214 K CB 1.163 33.672 32.500 0.015 0.000 1.057 214 K HN 0.076 nan 8.250 nan 0.000 0.447 215 D N 3.238 123.647 120.400 0.015 0.000 2.412 215 D HA 0.146 4.786 4.640 0.000 0.000 0.224 215 D C -1.630 174.684 176.300 0.022 0.000 1.093 215 D CA -2.454 51.554 54.000 0.014 0.000 0.850 215 D CB 1.342 42.151 40.800 0.015 0.000 1.046 215 D HN 0.159 nan 8.370 nan 0.000 0.507 216 P HA -0.164 nan 4.420 nan 0.000 0.219 216 P C 0.774 178.089 177.300 0.024 0.000 1.146 216 P CA 1.020 64.135 63.100 0.024 0.000 0.808 216 P CB 0.498 32.205 31.700 0.012 0.000 0.779 217 K N -0.473 119.939 120.400 0.019 0.000 2.288 217 K HA -0.011 4.309 4.320 0.000 0.000 0.201 217 K C 1.296 177.913 176.600 0.029 0.000 1.048 217 K CA 0.811 57.112 56.287 0.022 0.000 0.956 217 K CB 0.042 32.553 32.500 0.018 0.000 0.746 217 K HN -0.008 nan 8.250 nan 0.000 0.461 218 K N 1.107 121.526 120.400 0.031 0.000 3.010 218 K HA 0.249 4.569 4.320 0.000 0.000 0.211 218 K C -0.675 175.950 176.600 0.043 0.000 1.146 218 K CA -0.031 56.276 56.287 0.034 0.000 1.070 218 K CB 0.445 32.963 32.500 0.029 0.000 0.908 218 K HN 0.077 nan 8.250 nan 0.000 0.463 219 L N 1.879 123.131 121.223 0.049 0.000 2.343 219 L HA 0.381 4.722 4.340 0.000 0.000 0.275 219 L C -1.992 174.917 176.870 0.064 0.000 1.056 219 L CA -2.017 52.860 54.840 0.062 0.000 0.804 219 L CB 0.703 42.806 42.059 0.074 0.000 1.203 219 L HN -0.038 nan 8.230 nan 0.000 0.440 220 P HA 0.140 nan 4.420 nan 0.000 0.271 220 P C 0.286 177.631 177.300 0.076 0.000 1.218 220 P CA -0.514 62.628 63.100 0.069 0.000 0.780 220 P CB 0.696 32.438 31.700 0.071 0.000 0.901 221 R N 2.313 122.857 120.500 0.073 0.000 2.133 221 R HA -0.316 4.024 4.340 0.000 0.000 0.245 221 R C 1.694 178.045 176.300 0.084 0.000 1.137 221 R CA 2.471 58.617 56.100 0.078 0.000 0.947 221 R CB -0.584 29.766 30.300 0.083 0.000 0.865 221 R HN 0.464 nan 8.270 nan 0.000 0.437 222 N N 0.184 118.939 118.700 0.091 0.000 2.104 222 N HA -0.182 4.559 4.740 0.000 0.000 0.190 222 N C 1.542 177.125 175.510 0.122 0.000 1.024 222 N CA 1.839 54.951 53.050 0.104 0.000 0.853 222 N CB -0.028 38.522 38.487 0.104 0.000 1.008 222 N HN 0.341 nan 8.380 nan 0.000 0.424 223 E N -0.900 119.376 120.200 0.127 0.000 2.118 223 E HA -0.183 4.167 4.350 0.000 0.000 0.195 223 E C 1.701 178.385 176.600 0.140 0.000 0.992 223 E CA 1.003 57.499 56.400 0.159 0.000 0.804 223 E CB 0.030 29.823 29.700 0.155 0.000 0.741 223 E HN 0.411 nan 8.360 nan 0.000 0.458 224 M N -0.230 119.427 119.600 0.095 0.000 2.254 224 M HA -0.083 4.397 4.480 0.000 0.000 0.265 224 M C 1.951 178.269 176.300 0.029 0.000 1.066 224 M CA 1.267 56.603 55.300 0.059 0.000 1.123 224 M CB -0.579 32.047 32.600 0.042 0.000 1.388 224 M HN 0.011 nan 8.290 nan 0.000 0.425 225 R N -0.198 120.323 120.500 0.035 0.000 2.241 225 R HA -0.043 4.298 4.340 0.000 0.000 0.224 225 R C 2.060 178.326 176.300 -0.057 0.000 1.101 225 R CA 1.120 57.219 56.100 -0.001 0.000 0.995 225 R CB -0.188 30.125 30.300 0.022 0.000 0.870 225 R HN 0.378 nan 8.270 nan 0.000 0.463 226 A N 0.313 123.113 122.820 -0.035 0.000 1.938 226 A HA 0.083 4.403 4.320 0.000 0.000 0.207 226 A C 1.931 179.538 177.584 0.039 0.000 1.292 226 A CA 0.007 51.962 52.037 -0.135 0.000 0.700 226 A CB -0.234 18.662 19.000 -0.173 0.000 0.947 226 A HN 0.106 nan 8.150 nan 0.000 0.476 227 L N 0.861 122.158 121.223 0.122 0.000 2.089 227 L HA -0.238 4.102 4.340 0.000 0.000 0.213 227 L C 2.672 179.526 176.870 -0.027 0.000 1.079 227 L CA 1.753 56.626 54.840 0.055 0.000 0.758 227 L CB -0.877 41.235 42.059 0.088 0.000 0.891 227 L HN 0.462 nan 8.230 nan 0.000 0.433 228 V N -3.572 116.316 119.914 -0.044 0.000 2.380 228 V HA -0.316 3.804 4.120 0.000 0.000 0.251 228 V C 2.319 178.347 176.094 -0.111 0.000 1.063 228 V CA 2.035 64.280 62.300 -0.092 0.000 1.055 228 V CB -1.381 30.369 31.823 -0.122 0.000 0.657 228 V HN 0.530 nan 8.190 nan 0.000 0.455 229 C N 1.657 120.894 119.300 -0.105 0.000 2.457 229 C HA 0.198 4.658 4.460 0.000 0.000 0.278 229 C C 2.993 177.989 174.990 0.010 0.000 1.309 229 C CA 0.506 59.475 59.018 -0.081 0.000 1.735 229 C CB -1.888 25.753 27.740 -0.165 0.000 1.992 229 C HN 0.697 nan 8.230 nan 0.000 0.493 230 G N -0.055 108.729 108.800 -0.027 0.000 2.653 230 G HA2 -0.172 3.788 3.960 0.000 0.000 0.212 230 G HA3 -0.172 3.788 3.960 0.000 0.000 0.212 230 G C 1.541 176.395 174.900 -0.077 0.000 1.138 230 G CA 0.286 45.282 45.100 -0.173 0.000 0.782 230 G HN 0.713 nan 8.290 nan 0.000 0.535 231 Q N -1.016 118.771 119.800 -0.022 0.000 2.172 231 Q HA -0.043 4.298 4.340 0.000 0.000 0.200 231 Q C 2.113 178.141 176.000 0.048 0.000 0.964 231 Q CA 1.367 57.187 55.803 0.028 0.000 0.855 231 Q CB 0.008 28.726 28.738 -0.033 0.000 0.918 231 Q HN 0.602 nan 8.270 nan 0.000 0.444 232 C N -2.024 117.273 119.300 -0.005 0.000 3.276 232 C HA 0.138 4.598 4.460 0.000 0.000 0.512 232 C C 0.914 175.870 174.990 -0.056 0.000 1.376 232 C CA -0.505 58.476 59.018 -0.062 0.000 2.319 232 C CB -0.119 27.526 27.740 -0.158 0.000 3.330 232 C HN 0.414 nan 8.230 nan 0.000 0.596 233 H N 2.229 121.324 119.070 0.041 0.000 2.970 233 H HA 0.385 4.941 4.556 0.000 0.000 0.226 233 H C -0.013 175.364 175.328 0.080 0.000 1.909 233 H CA 0.723 56.862 56.048 0.153 0.000 1.388 233 H CB -0.197 29.619 29.762 0.091 0.000 1.773 233 H HN 0.436 nan 8.280 nan 0.000 0.559 234 V N -0.749 119.152 119.914 -0.020 0.000 3.181 234 V HA 0.400 4.521 4.120 0.000 0.000 0.308 234 V C -0.289 175.638 176.094 -0.277 0.000 1.214 234 V CA -1.383 60.834 62.300 -0.138 0.000 1.053 234 V CB 2.691 34.243 31.823 -0.452 0.000 1.069 234 V HN 0.238 nan 8.190 nan 0.000 0.441 235 E N 1.683 121.795 120.200 -0.146 0.000 2.289 235 E HA 0.547 4.897 4.350 0.000 0.000 0.278 235 E C -0.987 175.565 176.600 -0.080 0.000 1.032 235 E CA -0.086 56.241 56.400 -0.122 0.000 0.854 235 E CB 0.876 30.582 29.700 0.010 0.000 1.046 235 E HN 0.941 nan 8.360 nan 0.000 0.409 236 Y N 2.371 122.577 120.300 -0.157 0.000 2.605 236 Y HA 0.728 5.278 4.550 0.000 0.000 0.343 236 Y C -1.459 174.421 175.900 -0.033 0.000 1.036 236 Y CA -1.518 56.527 58.100 -0.091 0.000 1.065 236 Y CB 0.944 39.361 38.460 -0.071 0.000 1.288 236 Y HN 0.530 nan 8.280 nan 0.000 0.481 237 Y N -0.646 119.566 120.300 -0.146 0.000 2.615 237 Y HA 0.795 5.346 4.550 0.000 0.000 0.341 237 Y C -2.220 173.662 175.900 -0.029 0.000 1.089 237 Y CA -2.393 55.519 58.100 -0.314 0.000 1.049 237 Y CB 1.165 39.330 38.460 -0.492 0.000 1.296 237 Y HN 0.489 nan 8.280 nan 0.000 0.470 238 F N 1.464 121.638 119.950 0.373 0.000 2.399 238 F HA 0.381 4.909 4.527 0.000 0.000 0.334 238 F C 0.266 176.313 175.800 0.411 0.000 1.097 238 F CA -1.318 56.838 58.000 0.261 0.000 1.076 238 F CB 0.681 39.864 39.000 0.303 0.000 1.162 238 F HN 0.488 nan 8.300 nan 0.000 0.495 239 N N 1.139 120.091 118.700 0.421 0.000 2.454 239 N HA 0.172 4.912 4.740 0.000 0.000 0.260 239 N C 0.356 176.097 175.510 0.386 0.000 1.218 239 N CA 0.133 53.426 53.050 0.406 0.000 0.904 239 N CB 1.022 39.635 38.487 0.210 0.000 1.065 239 N HN 0.857 nan 8.380 nan 0.000 0.462 240 G N 1.859 110.889 108.800 0.383 0.000 2.562 240 G HA2 0.240 4.200 3.960 0.000 0.000 0.275 240 G HA3 0.240 4.200 3.960 0.000 0.000 0.275 240 G C -1.447 173.563 174.900 0.184 0.000 1.196 240 G CA -1.056 44.198 45.100 0.256 0.000 0.908 240 G HN 0.338 nan 8.290 nan 0.000 0.524 241 P HA -0.088 nan 4.420 nan 0.000 0.220 241 P C 1.719 179.079 177.300 0.100 0.000 1.144 241 P CA 1.877 65.041 63.100 0.108 0.000 0.800 241 P CB 0.146 31.896 31.700 0.083 0.000 0.772 242 T N -6.191 108.424 114.554 0.102 0.000 3.069 242 T HA 0.245 4.595 4.350 0.000 0.000 0.252 242 T C 1.341 176.102 174.700 0.103 0.000 1.053 242 T CA 0.051 62.204 62.100 0.087 0.000 0.964 242 T CB -0.581 68.328 68.868 0.068 0.000 1.005 242 T HN 0.004 nan 8.240 nan 0.000 0.532 243 M N 1.261 120.944 119.600 0.139 0.000 2.495 243 M HA 0.377 4.857 4.480 0.000 0.000 0.237 243 M C 1.287 177.671 176.300 0.140 0.000 1.131 243 M CA 0.268 55.666 55.300 0.163 0.000 1.032 243 M CB 0.254 33.002 32.600 0.247 0.000 1.513 243 M HN 0.681 nan 8.290 nan 0.000 0.488 244 G N -0.306 108.561 108.800 0.113 0.000 2.250 244 G HA2 -0.135 3.825 3.960 0.000 0.000 0.196 244 G HA3 -0.135 3.825 3.960 0.000 0.000 0.196 244 G C -0.992 173.965 174.900 0.094 0.000 1.308 244 G CA -1.029 44.126 45.100 0.091 0.000 1.207 244 G HN -0.104 nan 8.290 nan 0.000 0.505 245 V N 2.172 122.136 119.914 0.083 0.000 2.493 245 V HA 0.241 4.361 4.120 0.000 0.000 0.292 245 V C 0.934 177.095 176.094 0.112 0.000 1.016 245 V CA 0.444 62.809 62.300 0.109 0.000 1.097 245 V CB 0.776 32.675 31.823 0.126 0.000 0.947 245 V HN 0.776 nan 8.190 nan 0.000 0.479 246 N N 6.035 124.820 118.700 0.143 0.000 2.475 246 N HA 0.088 4.828 4.740 0.000 0.000 0.267 246 N C 0.707 176.307 175.510 0.151 0.000 1.169 246 N CA 0.086 53.220 53.050 0.141 0.000 0.947 246 N CB 0.225 38.786 38.487 0.123 0.000 1.061 246 N HN 0.602 nan 8.380 nan 0.000 0.466 247 K N -0.321 120.162 120.400 0.137 0.000 3.472 247 K HA -0.264 4.056 4.320 0.000 0.000 0.315 247 K C -0.302 176.294 176.600 -0.007 0.000 1.320 247 K CA 0.693 57.029 56.287 0.081 0.000 0.962 247 K CB -1.637 30.851 32.500 -0.020 0.000 1.251 247 K HN 0.749 nan 8.250 nan 0.000 0.443 248 K N 2.408 122.717 120.400 -0.153 0.000 2.412 248 K HA 0.074 4.394 4.320 0.000 0.000 0.281 248 K C -2.204 174.115 176.600 -0.469 0.000 1.027 248 K CA -1.117 54.748 56.287 -0.703 0.000 0.989 248 K CB 0.648 32.775 32.500 -0.621 0.000 0.935 248 K HN -0.159 nan 8.250 nan 0.000 0.475 249 P HA 0.038 nan 4.420 nan 0.000 0.271 249 P C -1.028 175.945 177.300 -0.544 0.000 1.216 249 P CA -0.235 62.655 63.100 -0.349 0.000 0.771 249 P CB 0.979 32.489 31.700 -0.316 0.000 0.864 250 V N 3.864 123.395 119.914 -0.639 0.000 2.888 250 V HA 0.412 4.532 4.120 0.000 0.000 0.309 250 V C -0.260 175.466 176.094 -0.614 0.000 1.114 250 V CA -0.613 61.201 62.300 -0.811 0.000 0.940 250 V CB 2.125 33.370 31.823 -0.962 0.000 1.021 250 V HN 0.393 nan 8.190 nan 0.000 0.426 251 F N 4.093 123.594 119.950 -0.748 0.000 2.415 251 F HA 0.429 4.956 4.527 0.000 0.000 0.348 251 F C -1.897 173.420 175.800 -0.807 0.000 1.119 251 F CA -2.307 55.152 58.000 -0.903 0.000 1.069 251 F CB 2.386 40.326 39.000 -1.766 0.000 1.124 251 F HN 0.295 nan 8.300 nan 0.000 0.472 252 P HA 0.023 nan 4.420 nan 0.000 0.225 252 P C -0.424 176.544 177.300 -0.553 0.000 1.813 252 P CA 0.014 62.413 63.100 -1.167 0.000 1.013 252 P CB -0.223 30.701 31.700 -1.294 0.000 1.961 253 W N 0.739 121.715 121.300 -0.540 0.000 3.008 253 W HA 0.388 5.048 4.660 0.001 0.000 0.355 253 W C 1.765 178.169 176.519 -0.192 0.000 1.095 253 W CA -0.261 56.846 57.345 -0.396 0.000 1.738 253 W CB -0.930 28.200 29.460 -0.551 0.000 1.091 253 W HN 0.205 nan 8.180 nan 0.000 0.574 254 A N 0.065 123.028 122.820 0.238 0.000 2.121 254 A HA -0.093 4.227 4.320 0.000 0.000 0.218 254 A C 1.755 179.455 177.584 0.192 0.000 1.154 254 A CA 1.345 53.547 52.037 0.275 0.000 0.679 254 A CB -0.047 19.150 19.000 0.328 0.000 0.795 254 A HN 0.051 nan 8.150 nan 0.000 0.458 255 E N -1.022 119.291 120.200 0.188 0.000 2.472 255 E HA 0.332 4.682 4.350 0.000 0.000 0.196 255 E C 0.867 177.481 176.600 0.023 0.000 1.033 255 E CA 0.779 57.247 56.400 0.113 0.000 0.886 255 E CB 0.499 30.290 29.700 0.152 0.000 0.944 255 E HN 0.634 nan 8.360 nan 0.000 0.492 256 G N 0.151 108.895 108.800 -0.094 0.000 2.354 256 G HA2 -0.110 3.850 3.960 0.000 0.000 0.582 256 G HA3 -0.110 3.850 3.960 0.000 0.000 0.582 256 G C -0.373 174.329 174.900 -0.331 0.000 1.316 256 G CA -0.738 44.235 45.100 -0.213 0.000 0.995 256 G HN 0.073 nan 8.290 nan 0.000 0.573 257 F N 0.658 120.563 119.950 -0.075 0.000 2.721 257 F HA 0.265 4.793 4.527 0.000 0.000 0.301 257 F C 0.921 176.707 175.800 -0.024 0.000 1.096 257 F CA -0.043 57.858 58.000 -0.165 0.000 1.308 257 F CB 0.529 39.380 39.000 -0.249 0.000 1.086 257 F HN 0.220 nan 8.300 nan 0.000 0.587 258 D N 0.782 121.258 120.400 0.126 0.000 2.294 258 D HA 0.145 4.785 4.640 0.000 0.000 0.250 258 D C -1.570 174.661 176.300 -0.115 0.000 1.058 258 D CA -1.866 52.126 54.000 -0.013 0.000 0.950 258 D CB 0.671 41.453 40.800 -0.030 0.000 1.158 258 D HN -0.174 nan 8.370 nan 0.000 0.453 259 P HA -0.230 nan 4.420 nan 0.000 0.215 259 P C 1.096 178.325 177.300 -0.117 0.000 1.163 259 P CA 2.204 64.906 63.100 -0.662 0.000 0.894 259 P CB 0.103 30.871 31.700 -1.554 0.000 0.791 260 A N -0.223 122.621 122.820 0.040 0.000 1.917 260 A HA -0.268 4.052 4.320 0.000 0.000 0.219 260 A C 2.008 179.749 177.584 0.261 0.000 1.182 260 A CA 2.360 54.605 52.037 0.347 0.000 0.633 260 A CB -1.441 17.740 19.000 0.302 0.000 0.819 260 A HN 0.154 nan 8.150 nan 0.000 0.448 261 D N -0.456 120.039 120.400 0.159 0.000 2.084 261 D HA -0.124 4.517 4.640 0.000 0.000 0.196 261 D C 2.096 178.486 176.300 0.150 0.000 0.985 261 D CA 1.450 55.529 54.000 0.131 0.000 0.826 261 D CB -0.435 40.408 40.800 0.072 0.000 0.978 261 D HN 0.481 nan 8.370 nan 0.000 0.456 262 M N -0.373 119.331 119.600 0.173 0.000 2.108 262 M HA -0.202 4.278 4.480 0.000 0.000 0.261 262 M C 2.288 178.630 176.300 0.070 0.000 1.066 262 M CA 1.219 56.596 55.300 0.129 0.000 1.107 262 M CB -0.364 32.464 32.600 0.381 0.000 1.356 262 M HN 0.044 nan 8.290 nan 0.000 0.406 263 Y N 0.653 120.997 120.300 0.073 0.000 2.181 263 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 263 Y C 2.581 178.516 175.900 0.058 0.000 1.146 263 Y CA 1.796 59.898 58.100 0.004 0.000 1.164 263 Y CB -0.247 38.320 38.460 0.178 0.000 0.982 263 Y HN 0.077 nan 8.280 nan 0.000 0.515 264 R N -1.067 119.527 120.500 0.156 0.000 2.081 264 R HA -0.264 4.076 4.340 0.000 0.000 0.235 264 R C 2.238 178.539 176.300 0.001 0.000 1.131 264 R CA 1.849 57.986 56.100 0.061 0.000 0.960 264 R CB -0.850 29.511 30.300 0.101 0.000 0.856 264 R HN 0.550 nan 8.270 nan 0.000 0.436 265 Y N -0.148 120.088 120.300 -0.106 0.000 2.114 265 Y HA -0.322 4.229 4.550 0.000 0.000 0.282 265 Y C 1.507 177.317 175.900 -0.151 0.000 1.165 265 Y CA 1.973 59.991 58.100 -0.136 0.000 1.148 265 Y CB -0.261 37.999 38.460 -0.333 0.000 0.972 265 Y HN 0.125 nan 8.280 nan 0.000 0.504 266 Y N 0.283 120.593 120.300 0.017 0.000 2.616 266 Y HA -0.114 4.436 4.550 0.000 0.000 0.296 266 Y C 1.926 177.675 175.900 -0.251 0.000 1.154 266 Y CA 0.788 58.793 58.100 -0.159 0.000 1.325 266 Y CB -0.498 37.765 38.460 -0.328 0.000 1.007 266 Y HN 0.240 nan 8.280 nan 0.000 0.542 267 D N -0.260 120.040 120.400 -0.167 0.000 2.224 267 D HA -0.073 4.567 4.640 0.000 0.000 0.205 267 D C 1.503 177.710 176.300 -0.155 0.000 0.965 267 D CA 1.176 55.068 54.000 -0.180 0.000 0.852 267 D CB 0.147 40.845 40.800 -0.170 0.000 0.947 267 D HN 0.298 nan 8.370 nan 0.000 0.494 268 K N -1.003 119.269 120.400 -0.212 0.000 2.412 268 K HA 0.120 4.440 4.320 0.000 0.000 0.202 268 K C 0.037 176.311 176.600 -0.544 0.000 1.102 268 K CA 0.085 56.150 56.287 -0.369 0.000 1.027 268 K CB 1.025 33.244 32.500 -0.468 0.000 0.931 268 K HN 0.109 nan 8.250 nan 0.000 0.557 269 H N -0.176 118.743 119.070 -0.251 0.000 2.589 269 H HA 0.565 5.121 4.556 0.000 0.000 0.335 269 H C 0.056 175.383 175.328 -0.002 0.000 1.019 269 H CA -0.499 55.431 56.048 -0.196 0.000 1.213 269 H CB 1.895 31.407 29.762 -0.417 0.000 1.472 269 H HN 0.309 nan 8.280 nan 0.000 0.508 270 G N 2.153 111.059 108.800 0.177 0.000 2.341 270 G HA2 0.037 3.998 3.960 0.000 0.000 0.293 270 G HA3 0.037 3.998 3.960 0.000 0.000 0.293 270 G C -0.909 174.059 174.900 0.113 0.000 1.298 270 G CA -0.230 45.013 45.100 0.240 0.000 0.868 270 G HN 0.559 nan 8.290 nan 0.000 0.540 271 D N -1.347 119.084 120.400 0.052 0.000 2.516 271 D HA 0.141 4.781 4.640 0.000 0.000 0.241 271 D C 0.884 177.174 176.300 -0.016 0.000 1.246 271 D CA -0.319 53.695 54.000 0.023 0.000 0.808 271 D CB -0.241 40.581 40.800 0.036 0.000 1.147 271 D HN 0.510 nan 8.370 nan 0.000 0.527 272 L N 1.165 122.362 121.223 -0.044 0.000 2.615 272 L HA -0.002 4.338 4.340 0.000 0.000 0.284 272 L C 1.354 178.220 176.870 -0.007 0.000 1.237 272 L CA 0.715 55.528 54.840 -0.045 0.000 0.905 272 L CB 0.584 42.614 42.059 -0.048 0.000 1.149 272 L HN 0.033 nan 8.230 nan 0.000 0.499 273 Q N 1.868 121.663 119.800 -0.008 0.000 2.281 273 Q HA 0.141 4.482 4.340 0.000 0.000 0.215 273 Q C -0.225 175.787 176.000 0.020 0.000 0.867 273 Q CA -0.218 55.589 55.803 0.006 0.000 0.940 273 Q CB 0.992 29.731 28.738 0.002 0.000 1.111 273 Q HN 0.522 nan 8.270 nan 0.000 0.513 274 V N 2.668 122.598 119.914 0.027 0.000 2.599 274 V HA -0.035 4.085 4.120 0.000 0.000 0.300 274 V C 0.697 176.866 176.094 0.125 0.000 1.034 274 V CA 0.162 62.496 62.300 0.056 0.000 1.115 274 V CB 0.358 32.193 31.823 0.020 0.000 0.934 274 V HN 0.144 nan 8.190 nan 0.000 0.485 275 K N 3.241 123.696 120.400 0.091 0.000 2.491 275 K HA 0.124 4.444 4.320 0.000 0.000 0.279 275 K C 1.304 177.948 176.600 0.073 0.000 1.026 275 K CA 1.121 57.445 56.287 0.062 0.000 1.070 275 K CB -0.045 32.477 32.500 0.037 0.000 0.887 275 K HN 1.189 nan 8.250 nan 0.000 0.481 276 G N 3.659 112.428 108.800 -0.051 0.000 2.179 276 G HA2 -0.264 3.697 3.960 0.000 0.000 0.260 276 G HA3 -0.264 3.697 3.960 0.000 0.000 0.260 276 G C 0.274 174.840 174.900 -0.558 0.000 0.977 276 G CA 0.243 45.179 45.100 -0.273 0.000 0.641 276 G HN 0.623 nan 8.290 nan 0.000 0.533 277 F N 0.938 120.843 119.950 -0.076 0.000 2.825 277 F HA 0.379 4.906 4.527 0.000 0.000 0.322 277 F C 0.636 176.385 175.800 -0.085 0.000 1.127 277 F CA -0.665 57.281 58.000 -0.090 0.000 1.164 277 F CB 0.591 39.528 39.000 -0.105 0.000 1.101 277 F HN 0.023 nan 8.300 nan 0.000 0.529 278 E N 0.614 120.837 120.200 0.039 0.000 2.585 278 E HA 0.334 4.684 4.350 0.000 0.000 0.252 278 E C 1.332 177.924 176.600 -0.014 0.000 0.981 278 E CA 1.329 57.734 56.400 0.009 0.000 0.943 278 E CB -0.034 29.657 29.700 -0.015 0.000 0.923 278 E HN 0.458 nan 8.360 nan 0.000 0.486 279 G N 2.739 111.534 108.800 -0.008 0.000 2.217 279 G HA2 -0.326 3.635 3.960 0.000 0.000 0.246 279 G HA3 -0.326 3.635 3.960 0.000 0.000 0.246 279 G C 0.198 175.090 174.900 -0.014 0.000 0.990 279 G CA 0.076 45.161 45.100 -0.024 0.000 0.627 279 G HN 0.419 nan 8.290 nan 0.000 0.522 280 K N -0.223 120.178 120.400 0.001 0.000 2.168 280 K HA 0.549 4.870 4.320 0.000 0.000 0.258 280 K C -0.366 176.255 176.600 0.035 0.000 1.010 280 K CA -0.592 55.703 56.287 0.014 0.000 0.929 280 K CB 0.958 33.474 32.500 0.026 0.000 0.998 280 K HN 0.126 nan 8.250 nan 0.000 0.479 281 F N 0.671 120.558 119.950 -0.105 0.000 2.379 281 F HA 0.472 5.000 4.527 0.000 0.000 0.332 281 F C -0.629 175.023 175.800 -0.247 0.000 1.096 281 F CA -0.290 57.621 58.000 -0.149 0.000 1.105 281 F CB 1.151 40.062 39.000 -0.148 0.000 1.189 281 F HN 0.526 nan 8.300 nan 0.000 0.515 282 A N 4.604 126.847 122.820 -0.962 0.000 2.488 282 A HA 0.329 4.649 4.320 0.000 0.000 0.298 282 A C -0.348 176.761 177.584 -0.792 0.000 1.044 282 A CA -0.621 51.006 52.037 -0.683 0.000 0.693 282 A CB 1.085 19.805 19.000 -0.467 0.000 1.272 282 A HN 0.789 nan 8.150 nan 0.000 0.402 283 D N 0.173 120.360 120.400 -0.355 0.000 2.240 283 D HA 0.138 4.779 4.640 0.000 0.000 0.206 283 D C 0.120 176.560 176.300 0.233 0.000 0.963 283 D CA 1.941 55.924 54.000 -0.028 0.000 0.863 283 D CB 0.314 41.161 40.800 0.078 0.000 0.973 283 D HN 0.723 nan 8.370 nan 0.000 0.501 284 W N -0.464 120.709 121.300 -0.212 0.000 3.064 284 W HA 0.319 4.979 4.660 0.000 0.000 0.328 284 W C -1.939 174.505 176.519 -0.125 0.000 1.210 284 W CA -0.764 56.526 57.345 -0.090 0.000 1.178 284 W CB 0.386 29.894 29.460 0.080 0.000 1.416 284 W HN -0.475 nan 8.180 nan 0.000 0.568 285 T N 2.744 117.111 114.554 -0.311 0.000 2.795 285 T HA 0.157 4.508 4.350 0.000 0.000 0.282 285 T C -0.630 173.851 174.700 -0.365 0.000 0.980 285 T CA -0.299 61.533 62.100 -0.447 0.000 1.012 285 T CB 0.477 69.209 68.868 -0.227 0.000 0.936 285 T HN 0.482 nan 8.240 nan 0.000 0.457 286 H N 5.040 123.808 119.070 -0.504 0.000 2.975 286 H HA 0.092 4.648 4.556 0.000 0.000 0.303 286 H C -1.860 173.388 175.328 -0.133 0.000 1.023 286 H CA -1.606 54.338 56.048 -0.173 0.000 1.473 286 H CB 1.422 31.095 29.762 -0.149 0.000 1.498 286 H HN 0.328 nan 8.280 nan 0.000 0.549 287 P HA -0.047 nan 4.420 nan 0.000 0.223 287 P C 0.909 178.030 177.300 -0.299 0.000 1.151 287 P CA 1.215 64.255 63.100 -0.101 0.000 0.787 287 P CB 0.309 32.012 31.700 0.006 0.000 0.788 288 A N 0.086 122.635 122.820 -0.453 0.000 1.878 288 A HA -0.059 4.261 4.320 0.000 0.000 0.213 288 A C 2.198 179.432 177.584 -0.582 0.000 1.192 288 A CA 1.869 53.298 52.037 -1.013 0.000 0.619 288 A CB -1.131 17.161 19.000 -1.180 0.000 0.837 288 A HN 0.298 nan 8.150 nan 0.000 0.446 289 S N -1.983 113.582 115.700 -0.226 0.000 2.517 289 S HA 0.138 4.609 4.470 0.000 0.000 0.214 289 S C 0.499 175.017 174.600 -0.138 0.000 0.991 289 S CA 0.527 58.626 58.200 -0.170 0.000 0.906 289 S CB 0.194 63.330 63.200 -0.108 0.000 0.789 289 S HN 0.382 nan 8.310 nan 0.000 0.513 290 K N 1.007 121.333 120.400 -0.123 0.000 3.160 290 K HA -0.111 4.209 4.320 0.000 0.000 0.280 290 K C -0.747 175.725 176.600 -0.213 0.000 1.154 290 K CA 0.961 57.165 56.287 -0.138 0.000 0.822 290 K CB -3.198 29.240 32.500 -0.104 0.000 1.239 290 K HN 0.559 nan 8.250 nan 0.000 0.489 291 T N 3.532 117.953 114.554 -0.222 0.000 2.749 291 T HA 0.260 4.610 4.350 0.000 0.000 0.295 291 T C -2.218 172.195 174.700 -0.478 0.000 0.936 291 T CA -1.228 60.668 62.100 -0.340 0.000 1.060 291 T CB 1.371 70.075 68.868 -0.274 0.000 0.904 291 T HN -0.012 nan 8.240 nan 0.000 0.500 292 P HA 0.126 nan 4.420 nan 0.000 0.269 292 P C -0.482 176.475 177.300 -0.572 0.000 1.252 292 P CA -0.219 62.495 63.100 -0.644 0.000 0.780 292 P CB 0.351 31.579 31.700 -0.785 0.000 0.829 293 M N 3.870 123.050 119.600 -0.700 0.000 2.528 293 M HA 0.467 4.948 4.480 0.000 0.000 0.318 293 M C 0.507 176.519 176.300 -0.479 0.000 1.195 293 M CA -0.917 53.962 55.300 -0.702 0.000 1.000 293 M CB 0.847 32.555 32.600 -1.488 0.000 1.615 293 M HN 0.195 nan 8.290 nan 0.000 0.469 294 I N 1.209 121.616 120.570 -0.273 0.000 2.441 294 I HA 0.346 4.516 4.170 0.000 0.000 0.295 294 I C -0.140 175.974 176.117 -0.005 0.000 0.994 294 I CA -0.926 60.263 61.300 -0.186 0.000 1.144 294 I CB 1.794 39.619 38.000 -0.292 0.000 1.314 294 I HN 0.511 nan 8.210 nan 0.000 0.445 295 K N 4.970 125.332 120.400 -0.063 0.000 2.227 295 K HA 0.668 4.988 4.320 0.000 0.000 0.280 295 K C -0.671 175.839 176.600 -0.150 0.000 1.041 295 K CA -0.212 55.962 56.287 -0.189 0.000 0.905 295 K CB 1.360 33.547 32.500 -0.521 0.000 1.068 295 K HN 0.682 nan 8.250 nan 0.000 0.470 296 A N 4.129 126.864 122.820 -0.141 0.000 2.306 296 A HA 0.514 4.834 4.320 0.000 0.000 0.314 296 A C -0.993 176.434 177.584 -0.261 0.000 1.164 296 A CA -0.512 51.431 52.037 -0.156 0.000 0.822 296 A CB 0.673 19.505 19.000 -0.281 0.000 1.130 296 A HN 0.728 nan 8.150 nan 0.000 0.496 297 Q N 1.277 120.917 119.800 -0.267 0.000 2.353 297 Q HA 0.372 4.712 4.340 0.000 0.000 0.268 297 Q C -0.611 175.194 176.000 -0.323 0.000 1.045 297 Q CA -0.594 55.071 55.803 -0.231 0.000 0.811 297 Q CB 1.361 29.932 28.738 -0.279 0.000 1.305 297 Q HN 0.872 nan 8.270 nan 0.000 0.447 298 H N 0.190 119.293 119.070 0.055 0.000 1.538 298 H HA -0.134 4.422 4.556 0.000 0.000 0.323 298 H C -2.305 173.036 175.328 0.022 0.000 0.765 298 H CA -0.003 56.093 56.048 0.079 0.000 1.086 298 H CB -1.083 28.770 29.762 0.151 0.000 1.467 298 H HN 0.370 nan 8.280 nan 0.000 0.243 299 P HA 0.181 nan 4.420 nan 0.000 0.208 299 P C 0.474 177.758 177.300 -0.028 0.000 1.837 299 P CA -0.440 62.563 63.100 -0.162 0.000 0.953 299 P CB 0.301 31.696 31.700 -0.507 0.000 1.870 300 E N -0.463 119.820 120.200 0.138 0.000 2.118 300 E HA -0.210 4.140 4.350 0.000 0.000 0.195 300 E C 1.478 178.158 176.600 0.133 0.000 0.992 300 E CA 1.511 58.032 56.400 0.202 0.000 0.804 300 E CB -0.712 29.120 29.700 0.220 0.000 0.741 300 E HN 0.372 nan 8.360 nan 0.000 0.458 301 Y N 1.324 121.627 120.300 0.005 0.000 2.153 301 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 301 Y C 1.772 177.604 175.900 -0.113 0.000 1.127 301 Y CA 1.753 59.831 58.100 -0.037 0.000 1.131 301 Y CB 0.090 38.530 38.460 -0.034 0.000 0.995 301 Y HN -0.045 nan 8.280 nan 0.000 0.505 302 E N -0.823 119.339 120.200 -0.063 0.000 2.204 302 E HA -0.143 4.207 4.350 0.000 0.000 0.195 302 E C 2.067 178.614 176.600 -0.088 0.000 0.990 302 E CA 1.763 58.038 56.400 -0.209 0.000 0.821 302 E CB -0.366 29.315 29.700 -0.032 0.000 0.750 302 E HN 0.385 nan 8.360 nan 0.000 0.477 303 T N -0.139 114.417 114.554 0.003 0.000 2.770 303 T HA -0.141 4.209 4.350 0.000 0.000 0.263 303 T C 1.332 176.056 174.700 0.039 0.000 1.039 303 T CA 1.171 63.330 62.100 0.097 0.000 1.142 303 T CB -0.410 68.554 68.868 0.160 0.000 0.868 303 T HN 0.472 nan 8.240 nan 0.000 0.435 304 W N 1.536 122.708 121.300 -0.213 0.000 2.402 304 W HA 0.087 4.747 4.660 0.000 0.000 0.286 304 W C 1.770 178.077 176.519 -0.354 0.000 1.221 304 W CA 0.194 57.367 57.345 -0.287 0.000 1.257 304 W CB -0.389 28.813 29.460 -0.430 0.000 1.120 304 W HN 0.181 nan 8.180 nan 0.000 0.551 305 I N 2.423 122.604 120.570 -0.650 0.000 2.286 305 I HA -0.327 3.843 4.170 0.000 0.000 0.248 305 I C 1.345 176.979 176.117 -0.805 0.000 1.115 305 I CA 2.142 62.808 61.300 -1.056 0.000 1.392 305 I CB -0.317 37.081 38.000 -1.004 0.000 1.065 305 I HN 0.213 nan 8.210 nan 0.000 0.418 306 N N -0.025 118.369 118.700 -0.509 0.000 2.200 306 N HA 0.131 4.871 4.740 0.000 0.000 0.224 306 N C 0.388 175.731 175.510 -0.278 0.000 1.179 306 N CA 0.061 52.910 53.050 -0.335 0.000 0.877 306 N CB -0.324 38.052 38.487 -0.185 0.000 1.072 306 N HN 0.164 nan 8.380 nan 0.000 0.519 307 G N -0.067 108.536 108.800 -0.329 0.000 2.616 307 G HA2 0.214 4.175 3.960 0.000 0.000 0.268 307 G HA3 0.214 4.175 3.960 0.000 0.000 0.268 307 G C 1.010 175.733 174.900 -0.296 0.000 1.213 307 G CA 0.196 45.145 45.100 -0.252 0.000 0.926 307 G HN 0.169 nan 8.290 nan 0.000 0.523 308 T N -1.928 112.471 114.554 -0.259 0.000 2.759 308 T HA -0.217 4.133 4.350 0.000 0.000 0.269 308 T C 1.901 176.395 174.700 -0.343 0.000 1.042 308 T CA 2.410 64.334 62.100 -0.295 0.000 1.140 308 T CB -0.467 68.221 68.868 -0.301 0.000 0.864 308 T HN 0.583 nan 8.240 nan 0.000 0.455 309 H N 0.012 118.958 119.070 -0.207 0.000 2.317 309 H HA 0.286 4.842 4.556 0.000 0.000 0.304 309 H C 2.683 177.845 175.328 -0.277 0.000 1.067 309 H CA 1.233 57.203 56.048 -0.131 0.000 1.352 309 H CB -0.692 29.081 29.762 0.018 0.000 1.398 309 H HN 0.479 nan 8.280 nan 0.000 0.510 310 G N 0.500 108.922 108.800 -0.630 0.000 2.459 310 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 310 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 310 G C 1.901 176.328 174.900 -0.788 0.000 1.183 310 G CA 0.958 45.212 45.100 -1.409 0.000 0.776 310 G HN 0.504 nan 8.290 nan 0.000 0.552 311 A N 0.776 123.257 122.820 -0.565 0.000 2.084 311 A HA 0.253 4.573 4.320 0.000 0.000 0.221 311 A C 2.552 180.007 177.584 -0.215 0.000 1.161 311 A CA 2.166 53.997 52.037 -0.343 0.000 0.653 311 A CB -0.436 18.409 19.000 -0.260 0.000 0.802 311 A HN 0.894 nan 8.150 nan 0.000 0.457 312 A N -2.126 120.585 122.820 -0.181 0.000 2.275 312 A HA 0.432 4.752 4.320 0.000 0.000 0.212 312 A C 1.747 179.314 177.584 -0.027 0.000 1.201 312 A CA 1.106 53.094 52.037 -0.082 0.000 0.843 312 A CB -0.742 18.225 19.000 -0.055 0.000 0.873 312 A HN 1.864 nan 8.150 nan 0.000 0.492 313 G N -1.236 107.541 108.800 -0.038 0.000 2.143 313 G HA2 -0.199 3.762 3.960 0.000 0.000 0.249 313 G HA3 -0.199 3.762 3.960 0.000 0.000 0.249 313 G C 0.121 175.121 174.900 0.167 0.000 0.981 313 G CA 0.115 45.255 45.100 0.067 0.000 0.665 313 G HN 0.801 nan 8.290 nan 0.000 0.528 314 V N 2.662 122.693 119.914 0.195 0.000 2.405 314 V HA 0.488 4.608 4.120 0.000 0.000 0.264 314 V C 1.265 177.610 176.094 0.418 0.000 1.048 314 V CA 0.398 62.849 62.300 0.251 0.000 0.966 314 V CB 0.423 32.406 31.823 0.267 0.000 1.015 314 V HN 0.694 nan 8.190 nan 0.000 0.477 315 T N 1.421 116.137 114.554 0.270 0.000 2.874 315 T HA 0.150 4.500 4.350 0.000 0.000 0.281 315 T C 1.466 176.104 174.700 -0.103 0.000 0.994 315 T CA -0.327 61.843 62.100 0.116 0.000 1.015 315 T CB 1.131 70.018 68.868 0.033 0.000 1.028 315 T HN 0.649 nan 8.240 nan 0.000 0.523 316 C N 1.118 120.165 119.300 -0.422 0.000 2.391 316 C HA -0.062 4.398 4.460 0.000 0.000 0.276 316 C C 3.274 178.231 174.990 -0.054 0.000 1.217 316 C CA 0.825 59.684 59.018 -0.265 0.000 1.766 316 C CB -2.188 25.335 27.740 -0.361 0.000 2.046 316 C HN 1.027 nan 8.230 nan 0.000 0.475 317 A N 1.457 124.234 122.820 -0.071 0.000 1.933 317 A HA -0.196 4.125 4.320 0.000 0.000 0.218 317 A C 1.708 179.255 177.584 -0.063 0.000 1.175 317 A CA 2.241 54.253 52.037 -0.042 0.000 0.628 317 A CB -0.619 18.349 19.000 -0.053 0.000 0.814 317 A HN 0.558 nan 8.150 nan 0.000 0.444 318 D N -0.774 119.603 120.400 -0.038 0.000 2.149 318 D HA -0.121 4.519 4.640 0.000 0.000 0.198 318 D C 1.798 178.059 176.300 -0.065 0.000 0.990 318 D CA 1.528 55.513 54.000 -0.026 0.000 0.839 318 D CB -0.410 40.406 40.800 0.026 0.000 0.948 318 D HN 0.485 nan 8.370 nan 0.000 0.460 319 C N -0.940 118.297 119.300 -0.105 0.000 2.525 319 C HA 0.113 4.573 4.460 0.000 0.000 0.291 319 C C 2.105 176.905 174.990 -0.316 0.000 1.351 319 C CA -0.049 58.835 59.018 -0.224 0.000 1.771 319 C CB -0.458 27.097 27.740 -0.309 0.000 2.177 319 C HN 0.443 nan 8.230 nan 0.000 0.510 320 H N -0.857 118.171 119.070 -0.069 0.000 2.654 320 H HA 0.299 4.856 4.556 0.001 0.000 0.264 320 H C 0.845 176.123 175.328 -0.083 0.000 0.954 320 H CA 0.768 56.781 56.048 -0.059 0.000 1.199 320 H CB 0.252 30.015 29.762 0.002 0.000 1.446 320 H HN 0.432 nan 8.280 nan 0.000 0.516 321 M N 1.307 120.893 119.600 -0.023 0.000 3.189 321 M HA 0.120 4.600 4.480 0.000 0.000 0.365 321 M C 0.163 176.325 176.300 -0.230 0.000 1.447 321 M CA -0.287 54.928 55.300 -0.141 0.000 0.739 321 M CB 1.210 33.731 32.600 -0.132 0.000 1.411 321 M HN -0.056 nan 8.290 nan 0.000 0.494 322 S N -0.480 115.117 115.700 -0.172 0.000 2.603 322 S HA 0.384 4.854 4.470 0.000 0.000 0.268 322 S C -0.337 174.166 174.600 -0.162 0.000 1.317 322 S CA -0.308 57.791 58.200 -0.169 0.000 1.012 322 S CB 0.697 63.862 63.200 -0.057 0.000 0.926 322 S HN 0.322 nan 8.310 nan 0.000 0.539 323 Y N 0.875 121.194 120.300 0.032 0.000 2.497 323 Y HA 0.409 4.959 4.550 0.000 0.000 0.334 323 Y C 1.268 177.194 175.900 0.044 0.000 1.199 323 Y CA 0.558 58.685 58.100 0.045 0.000 1.425 323 Y CB 0.745 39.233 38.460 0.047 0.000 1.291 323 Y HN 0.823 nan 8.280 nan 0.000 0.562 324 T N 3.466 118.155 114.554 0.225 0.000 2.952 324 T HA 0.364 4.714 4.350 0.000 0.000 0.305 324 T C 0.338 175.119 174.700 0.135 0.000 1.064 324 T CA -0.753 61.434 62.100 0.145 0.000 1.008 324 T CB 1.030 69.962 68.868 0.107 0.000 1.078 324 T HN 0.807 nan 8.240 nan 0.000 0.459 325 R N 2.324 122.884 120.500 0.101 0.000 2.334 325 R HA 0.204 4.544 4.340 0.000 0.000 0.212 325 R C 2.191 178.530 176.300 0.064 0.000 0.897 325 R CA 0.448 56.596 56.100 0.080 0.000 1.056 325 R CB -0.006 30.331 30.300 0.063 0.000 1.046 325 R HN 0.703 nan 8.270 nan 0.000 0.513 326 S N 0.880 116.618 115.700 0.063 0.000 2.502 326 S HA -0.226 4.244 4.470 0.000 0.000 0.288 326 S C 0.508 175.132 174.600 0.039 0.000 1.186 326 S CA 1.753 59.983 58.200 0.049 0.000 1.182 326 S CB -0.264 62.965 63.200 0.048 0.000 1.135 326 S HN 0.383 nan 8.310 nan 0.000 0.442 327 D N 0.575 121.001 120.400 0.044 0.000 2.295 327 D HA 0.279 4.920 4.640 0.000 0.000 0.248 327 D C 0.742 177.066 176.300 0.039 0.000 1.154 327 D CA 0.342 54.365 54.000 0.038 0.000 0.857 327 D CB 1.236 42.061 40.800 0.042 0.000 1.117 327 D HN 0.221 nan 8.370 nan 0.000 0.468 328 D N 3.646 124.064 120.400 0.029 0.000 4.286 328 D HA -0.281 4.359 4.640 0.000 0.000 0.203 328 D C 0.494 176.810 176.300 0.027 0.000 1.071 328 D CA 2.179 56.195 54.000 0.027 0.000 2.291 328 D CB -0.614 40.203 40.800 0.030 0.000 1.164 328 D HN 0.583 nan 8.370 nan 0.000 0.407 329 K N -0.287 120.133 120.400 0.033 0.000 1.827 329 K HA 0.093 4.413 4.320 0.000 0.000 0.124 329 K C -0.932 175.690 176.600 0.037 0.000 2.052 329 K CA -0.025 56.281 56.287 0.032 0.000 0.965 329 K CB 0.178 32.693 32.500 0.024 0.000 2.147 329 K HN 0.169 nan 8.250 nan 0.000 0.370 330 K N 2.388 122.817 120.400 0.048 0.000 2.235 330 K HA 0.199 4.519 4.320 0.000 0.000 0.266 330 K C -0.785 175.862 176.600 0.078 0.000 0.980 330 K CA -0.672 55.649 56.287 0.057 0.000 0.849 330 K CB 1.586 34.124 32.500 0.063 0.000 1.098 330 K HN 0.039 nan 8.250 nan 0.000 0.445 331 K N 4.304 124.749 120.400 0.075 0.000 2.297 331 K HA 0.315 4.636 4.320 0.000 0.000 0.286 331 K C -0.210 176.508 176.600 0.196 0.000 1.053 331 K CA -0.438 55.922 56.287 0.121 0.000 0.940 331 K CB 0.257 32.801 32.500 0.074 0.000 1.019 331 K HN 0.574 nan 8.250 nan 0.000 0.475 332 I N -1.190 119.538 120.570 0.264 0.000 2.957 332 I HA 0.392 4.562 4.170 0.000 0.000 0.310 332 I C -0.740 175.579 176.117 0.338 0.000 1.063 332 I CA -1.120 60.360 61.300 0.300 0.000 1.033 332 I CB 2.378 40.488 38.000 0.184 0.000 1.230 332 I HN 0.465 nan 8.210 nan 0.000 0.447 333 S N 2.434 118.270 115.700 0.227 0.000 2.528 333 S HA 0.161 4.631 4.470 0.000 0.000 0.277 333 S C 0.138 174.776 174.600 0.063 0.000 1.297 333 S CA -0.403 57.744 58.200 -0.088 0.000 1.052 333 S CB 0.756 63.848 63.200 -0.180 0.000 0.917 333 S HN 0.732 nan 8.310 nan 0.000 0.492 334 S N 1.809 117.483 115.700 -0.043 0.000 2.549 334 S HA 0.029 4.499 4.470 0.000 0.000 0.286 334 S C 0.080 174.572 174.600 -0.181 0.000 1.314 334 S CA -0.067 58.122 58.200 -0.018 0.000 1.062 334 S CB 0.074 63.264 63.200 -0.017 0.000 0.865 334 S HN 0.734 nan 8.310 nan 0.000 0.498 335 H N 2.817 121.684 119.070 -0.340 0.000 2.486 335 H HA 0.258 4.815 4.556 0.000 0.000 0.284 335 H C -1.049 173.636 175.328 -1.071 0.000 1.103 335 H CA -0.348 55.221 56.048 -0.799 0.000 1.089 335 H CB 0.100 29.576 29.762 -0.475 0.000 1.603 335 H HN 0.646 nan 8.280 nan 0.000 0.557 336 W N 2.329 123.210 121.300 -0.699 0.000 2.360 336 W HA 0.213 4.873 4.660 0.000 0.000 0.344 336 W C -1.109 175.168 176.519 -0.403 0.000 1.025 336 W CA -1.674 55.380 57.345 -0.485 0.000 1.480 336 W CB -0.074 29.240 29.460 -0.243 0.000 1.350 336 W HN 0.195 nan 8.180 nan 0.000 0.382 337 W N 6.730 128.061 121.300 0.052 0.000 2.357 337 W HA 0.421 5.081 4.660 0.000 0.000 0.317 337 W C 0.322 176.684 176.519 -0.263 0.000 1.101 337 W CA -0.386 56.862 57.345 -0.160 0.000 1.380 337 W CB 0.483 29.789 29.460 -0.257 0.000 1.266 337 W HN 0.191 nan 8.180 nan 0.000 0.419 338 T N 0.724 115.202 114.554 -0.126 0.000 2.653 338 T HA 0.152 4.503 4.350 0.000 0.000 0.306 338 T C -0.724 173.901 174.700 -0.124 0.000 1.426 338 T CA -0.473 61.492 62.100 -0.225 0.000 1.008 338 T CB 1.224 69.745 68.868 -0.580 0.000 1.692 338 T HN 0.137 nan 8.240 nan 0.000 0.483 339 S N 1.453 117.067 115.700 -0.144 0.000 2.510 339 S HA 0.318 4.789 4.470 0.000 0.000 0.279 339 S C -1.701 172.792 174.600 -0.178 0.000 1.284 339 S CA -0.891 57.262 58.200 -0.080 0.000 1.059 339 S CB 0.685 63.840 63.200 -0.074 0.000 0.901 339 S HN 0.472 nan 8.310 nan 0.000 0.491 340 P HA -0.041 nan 4.420 nan 0.000 0.223 340 P C 1.026 178.209 177.300 -0.196 0.000 1.144 340 P CA 0.966 63.925 63.100 -0.236 0.000 0.783 340 P CB 0.100 31.623 31.700 -0.295 0.000 0.771 341 M N -1.620 117.878 119.600 -0.169 0.000 2.556 341 M HA 0.050 4.530 4.480 0.000 0.000 0.245 341 M C 1.455 177.691 176.300 -0.106 0.000 1.128 341 M CA 0.812 56.032 55.300 -0.133 0.000 1.069 341 M CB -0.535 31.996 32.600 -0.115 0.000 1.469 341 M HN 0.013 nan 8.290 nan 0.000 0.494 342 K N 0.466 120.785 120.400 -0.134 0.000 2.209 342 K HA -0.121 4.199 4.320 0.000 0.000 0.204 342 K C 0.431 176.988 176.600 -0.070 0.000 1.048 342 K CA 0.698 56.921 56.287 -0.107 0.000 0.940 342 K CB -0.067 32.327 32.500 -0.177 0.000 0.729 342 K HN 0.181 nan 8.250 nan 0.000 0.451 343 D N 0.745 121.092 120.400 -0.088 0.000 2.339 343 D HA 0.044 4.684 4.640 0.000 0.000 0.241 343 D C -1.631 174.653 176.300 -0.026 0.000 1.183 343 D CA -2.505 51.468 54.000 -0.044 0.000 0.859 343 D CB 1.354 42.120 40.800 -0.056 0.000 1.067 343 D HN -0.120 nan 8.370 nan 0.000 0.484 344 P HA -0.146 nan 4.420 nan 0.000 0.221 344 P C 0.400 177.703 177.300 0.005 0.000 1.145 344 P CA 1.076 64.177 63.100 0.001 0.000 0.795 344 P CB 0.430 32.137 31.700 0.012 0.000 0.775 345 E N -1.266 118.939 120.200 0.008 0.000 2.481 345 E HA 0.167 4.518 4.350 0.000 0.000 0.198 345 E C 0.450 177.058 176.600 0.014 0.000 1.027 345 E CA -0.238 56.171 56.400 0.016 0.000 0.900 345 E CB -0.078 29.636 29.700 0.023 0.000 0.993 345 E HN -0.096 nan 8.360 nan 0.000 0.482 346 M N -0.071 119.526 119.600 -0.004 0.000 2.480 346 M HA -0.320 4.160 4.480 0.000 0.000 0.192 346 M C 0.956 177.260 176.300 0.006 0.000 0.489 346 M CA 0.662 55.954 55.300 -0.013 0.000 0.472 346 M CB -1.769 30.828 32.600 -0.004 0.000 1.682 346 M HN 0.108 nan 8.290 nan 0.000 0.796 347 R N 0.601 121.107 120.500 0.010 0.000 2.153 347 R HA -0.158 4.182 4.340 0.000 0.000 0.252 347 R C 2.224 178.539 176.300 0.025 0.000 1.158 347 R CA 2.495 58.610 56.100 0.024 0.000 0.975 347 R CB -0.286 30.031 30.300 0.027 0.000 0.871 347 R HN 0.670 nan 8.270 nan 0.000 0.450 348 A N -0.627 122.192 122.820 -0.001 0.000 1.873 348 A HA -0.176 4.144 4.320 0.000 0.000 0.215 348 A C 2.365 179.961 177.584 0.020 0.000 1.186 348 A CA 1.596 53.627 52.037 -0.009 0.000 0.616 348 A CB -0.823 18.138 19.000 -0.065 0.000 0.823 348 A HN 0.547 nan 8.150 nan 0.000 0.442 349 C N -0.790 118.534 119.300 0.040 0.000 2.435 349 C HA -0.003 4.457 4.460 0.000 0.000 0.279 349 C C 2.535 177.618 174.990 0.155 0.000 1.321 349 C CA 0.761 59.859 59.018 0.134 0.000 1.752 349 C CB -1.356 26.482 27.740 0.164 0.000 1.959 349 C HN 0.537 nan 8.230 nan 0.000 0.500 350 R N 0.796 121.359 120.500 0.105 0.000 2.313 350 R HA -0.015 4.325 4.340 0.000 0.000 0.199 350 R C 2.021 178.357 176.300 0.061 0.000 0.958 350 R CA 0.287 56.446 56.100 0.099 0.000 1.047 350 R CB -0.149 30.201 30.300 0.082 0.000 0.955 350 R HN 0.622 nan 8.270 nan 0.000 0.481 351 Q N -0.269 119.560 119.800 0.049 0.000 2.226 351 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 351 Q C 1.750 177.752 176.000 0.004 0.000 0.975 351 Q CA 1.219 57.044 55.803 0.037 0.000 0.866 351 Q CB -0.005 28.765 28.738 0.053 0.000 0.915 351 Q HN 0.395 nan 8.270 nan 0.000 0.440 352 C N -0.892 118.386 119.300 -0.037 0.000 2.654 352 C HA 0.101 4.561 4.460 0.000 0.000 0.288 352 C C 1.540 176.441 174.990 -0.150 0.000 1.578 352 C CA -0.361 58.567 59.018 -0.149 0.000 1.941 352 C CB -0.817 26.744 27.740 -0.299 0.000 1.856 352 C HN 0.463 nan 8.230 nan 0.000 0.706 353 H N 2.650 121.765 119.070 0.076 0.000 3.663 353 H HA 0.045 4.601 4.556 0.000 0.000 0.250 353 H C 1.680 177.037 175.328 0.050 0.000 1.363 353 H CA 0.728 56.820 56.048 0.073 0.000 1.259 353 H CB -0.423 29.406 29.762 0.112 0.000 1.435 353 H HN 0.611 nan 8.280 nan 0.000 0.692 354 S N 0.178 115.932 115.700 0.089 0.000 2.469 354 S HA -0.174 4.296 4.470 0.000 0.000 0.238 354 S C 1.496 176.125 174.600 0.050 0.000 0.998 354 S CA 1.106 59.343 58.200 0.063 0.000 0.957 354 S CB 0.039 63.260 63.200 0.035 0.000 0.764 354 S HN 0.517 nan 8.310 nan 0.000 0.514 355 D N 0.539 120.967 120.400 0.047 0.000 2.347 355 D HA 0.040 4.681 4.640 0.000 0.000 0.213 355 D C 0.347 176.636 176.300 -0.018 0.000 0.985 355 D CA 0.421 54.426 54.000 0.009 0.000 0.879 355 D CB -0.130 40.666 40.800 -0.006 0.000 0.919 355 D HN 0.176 nan 8.370 nan 0.000 0.526 356 K N 0.903 121.315 120.400 0.022 0.000 2.110 356 K HA 0.314 4.634 4.320 0.000 0.000 0.263 356 K C 0.511 177.147 176.600 0.061 0.000 0.975 356 K CA -0.427 55.855 56.287 -0.008 0.000 0.895 356 K CB 1.392 33.941 32.500 0.082 0.000 1.060 356 K HN 0.214 nan 8.250 nan 0.000 0.448 357 T N -1.311 113.287 114.554 0.073 0.000 2.882 357 T HA 0.204 4.555 4.350 0.000 0.000 0.287 357 T C -1.731 173.042 174.700 0.122 0.000 1.014 357 T CA -1.521 60.633 62.100 0.089 0.000 1.049 357 T CB 0.940 69.856 68.868 0.079 0.000 1.001 357 T HN 0.134 nan 8.240 nan 0.000 0.525 358 P HA -0.079 nan 4.420 nan 0.000 0.215 358 P C 1.035 178.364 177.300 0.048 0.000 1.157 358 P CA 1.057 64.191 63.100 0.056 0.000 0.874 358 P CB -0.003 31.718 31.700 0.035 0.000 0.790 359 D N -2.307 118.126 120.400 0.056 0.000 2.178 359 D HA -0.170 4.470 4.640 0.000 0.000 0.202 359 D C 1.828 178.156 176.300 0.046 0.000 0.974 359 D CA 0.885 54.909 54.000 0.041 0.000 0.841 359 D CB -0.865 39.961 40.800 0.042 0.000 0.953 359 D HN 0.201 nan 8.370 nan 0.000 0.478 360 Y N 1.323 121.620 120.300 -0.005 0.000 2.114 360 Y HA -0.192 4.359 4.550 0.001 0.000 0.284 360 Y C 2.122 178.010 175.900 -0.020 0.000 1.143 360 Y CA 1.474 59.567 58.100 -0.011 0.000 1.135 360 Y CB -0.446 38.006 38.460 -0.013 0.000 0.980 360 Y HN -0.092 nan 8.280 nan 0.000 0.499 361 L N 0.281 121.516 121.223 0.021 0.000 2.012 361 L HA -0.293 4.047 4.340 0.000 0.000 0.210 361 L C 2.527 179.305 176.870 -0.153 0.000 1.073 361 L CA 1.936 56.729 54.840 -0.078 0.000 0.748 361 L CB -0.662 41.406 42.059 0.015 0.000 0.891 361 L HN 0.184 nan 8.230 nan 0.000 0.431 362 K N -0.051 120.287 120.400 -0.102 0.000 2.044 362 K HA -0.222 4.098 4.320 0.000 0.000 0.210 362 K C 2.372 178.911 176.600 -0.102 0.000 1.049 362 K CA 1.942 58.172 56.287 -0.096 0.000 0.927 362 K CB -0.361 32.105 32.500 -0.056 0.000 0.713 362 K HN 0.417 nan 8.250 nan 0.000 0.443 363 S N 0.896 116.511 115.700 -0.141 0.000 2.399 363 S HA -0.109 4.361 4.470 0.000 0.000 0.231 363 S C 1.927 176.455 174.600 -0.120 0.000 1.022 363 S CA 0.748 58.876 58.200 -0.120 0.000 0.983 363 S CB -0.088 63.019 63.200 -0.155 0.000 0.803 363 S HN 0.159 nan 8.310 nan 0.000 0.480 364 R N 0.868 121.205 120.500 -0.271 0.000 2.148 364 R HA 0.217 4.557 4.340 0.000 0.000 0.223 364 R C 2.333 178.667 176.300 0.056 0.000 1.088 364 R CA 0.913 56.905 56.100 -0.179 0.000 0.985 364 R CB -1.550 28.564 30.300 -0.310 0.000 0.880 364 R HN 0.477 nan 8.270 nan 0.000 0.451 365 V N 1.379 121.300 119.914 0.011 0.000 2.379 365 V HA -0.151 3.969 4.120 0.000 0.000 0.245 365 V C 2.411 178.567 176.094 0.103 0.000 1.044 365 V CA 1.307 63.633 62.300 0.043 0.000 1.036 365 V CB -0.446 31.235 31.823 -0.237 0.000 0.664 365 V HN 0.146 nan 8.190 nan 0.000 0.453 366 L N -1.324 119.951 121.223 0.087 0.000 2.093 366 L HA -0.163 4.178 4.340 0.000 0.000 0.208 366 L C 2.347 179.302 176.870 0.142 0.000 1.085 366 L CA 1.612 56.528 54.840 0.127 0.000 0.755 366 L CB -0.647 41.476 42.059 0.108 0.000 0.904 366 L HN 0.280 nan 8.230 nan 0.000 0.435 367 F N 0.967 120.923 119.950 0.009 0.000 2.063 367 F HA -0.383 4.144 4.527 0.001 0.000 0.298 367 F C 2.527 178.340 175.800 0.022 0.000 1.105 367 F CA 2.461 60.467 58.000 0.010 0.000 1.215 367 F CB -0.238 38.758 39.000 -0.007 0.000 0.972 367 F HN -0.020 nan 8.300 nan 0.000 0.483 368 T N -0.589 114.096 114.554 0.217 0.000 2.812 368 T HA -0.170 4.181 4.350 0.000 0.000 0.264 368 T C 1.824 176.527 174.700 0.004 0.000 1.042 368 T CA 1.409 63.580 62.100 0.118 0.000 1.140 368 T CB -0.249 68.742 68.868 0.205 0.000 0.870 368 T HN 0.354 nan 8.240 nan 0.000 0.445 369 Q N 0.669 120.463 119.800 -0.010 0.000 2.050 369 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 369 Q C 2.416 178.210 176.000 -0.342 0.000 0.980 369 Q CA 1.250 56.925 55.803 -0.214 0.000 0.840 369 Q CB -0.130 28.456 28.738 -0.254 0.000 0.898 369 Q HN 0.395 nan 8.270 nan 0.000 0.424 370 K N 0.873 121.191 120.400 -0.138 0.000 2.032 370 K HA -0.191 4.129 4.320 0.000 0.000 0.209 370 K C 2.068 178.633 176.600 -0.059 0.000 1.048 370 K CA 1.286 57.553 56.287 -0.033 0.000 0.927 370 K CB 0.047 32.578 32.500 0.053 0.000 0.712 370 K HN 0.064 nan 8.250 nan 0.000 0.441 371 R N -0.319 120.115 120.500 -0.110 0.000 2.081 371 R HA -0.089 4.251 4.340 0.000 0.000 0.235 371 R C 2.379 178.640 176.300 -0.065 0.000 1.131 371 R CA 1.985 58.020 56.100 -0.108 0.000 0.960 371 R CB -0.471 29.728 30.300 -0.168 0.000 0.856 371 R HN 0.280 nan 8.270 nan 0.000 0.436 372 T N 0.767 115.285 114.554 -0.059 0.000 2.777 372 T HA -0.140 4.210 4.350 0.000 0.000 0.266 372 T C 1.410 176.104 174.700 -0.009 0.000 1.040 372 T CA 1.203 63.288 62.100 -0.025 0.000 1.141 372 T CB -0.299 68.564 68.868 -0.008 0.000 0.868 372 T HN 0.135 nan 8.240 nan 0.000 0.444 373 F N 2.233 122.054 119.950 -0.214 0.000 2.113 373 F HA -0.077 4.450 4.527 0.000 0.000 0.297 373 F C 1.984 177.732 175.800 -0.087 0.000 1.103 373 F CA 1.203 59.093 58.000 -0.182 0.000 1.248 373 F CB -0.376 38.408 39.000 -0.361 0.000 0.999 373 F HN 0.021 nan 8.300 nan 0.000 0.475 374 D N 0.472 120.893 120.400 0.035 0.000 2.116 374 D HA -0.238 4.402 4.640 0.000 0.000 0.193 374 D C 2.473 178.715 176.300 -0.097 0.000 0.998 374 D CA 1.469 55.453 54.000 -0.028 0.000 0.836 374 D CB -0.616 40.190 40.800 0.011 0.000 0.951 374 D HN 0.319 nan 8.370 nan 0.000 0.449 375 L N -0.072 121.102 121.223 -0.082 0.000 2.056 375 L HA -0.133 4.207 4.340 0.000 0.000 0.207 375 L C 2.297 179.105 176.870 -0.103 0.000 1.078 375 L CA 0.463 55.257 54.840 -0.076 0.000 0.749 375 L CB -0.150 41.880 42.059 -0.047 0.000 0.901 375 L HN 0.084 nan 8.230 nan 0.000 0.433 376 L N -0.073 121.071 121.223 -0.132 0.000 2.043 376 L HA -0.268 4.072 4.340 0.000 0.000 0.212 376 L C 2.267 178.976 176.870 -0.268 0.000 1.075 376 L CA 1.846 56.589 54.840 -0.163 0.000 0.752 376 L CB -0.502 41.450 42.059 -0.178 0.000 0.891 376 L HN 0.161 nan 8.230 nan 0.000 0.432 377 L N -0.979 120.046 121.223 -0.331 0.000 2.046 377 L HA -0.194 4.146 4.340 0.000 0.000 0.208 377 L C 2.659 179.414 176.870 -0.191 0.000 1.077 377 L CA 1.196 55.859 54.840 -0.295 0.000 0.747 377 L CB -0.896 40.993 42.059 -0.282 0.000 0.896 377 L HN 0.403 nan 8.230 nan 0.000 0.432 378 A N 0.076 122.808 122.820 -0.148 0.000 1.877 378 A HA -0.195 4.125 4.320 0.000 0.000 0.216 378 A C 2.497 180.006 177.584 -0.125 0.000 1.186 378 A CA 1.774 53.747 52.037 -0.107 0.000 0.620 378 A CB -0.747 18.205 19.000 -0.080 0.000 0.822 378 A HN 0.409 nan 8.150 nan 0.000 0.443 379 A N -0.957 121.781 122.820 -0.137 0.000 2.019 379 A HA -0.182 4.139 4.320 0.000 0.000 0.219 379 A C 2.091 179.519 177.584 -0.262 0.000 1.164 379 A CA 1.631 53.593 52.037 -0.124 0.000 0.644 379 A CB -0.439 18.542 19.000 -0.032 0.000 0.805 379 A HN 0.698 nan 8.150 nan 0.000 0.449 380 Q N -0.679 118.874 119.800 -0.411 0.000 2.062 380 Q HA -0.115 4.225 4.340 0.000 0.000 0.196 380 Q C 1.913 177.691 176.000 -0.369 0.000 0.967 380 Q CA 1.153 56.598 55.803 -0.596 0.000 0.832 380 Q CB -0.171 28.182 28.738 -0.642 0.000 0.899 380 Q HN 0.730 nan 8.270 nan 0.000 0.442 381 E N 0.347 120.415 120.200 -0.220 0.000 2.086 381 E HA -0.224 4.126 4.350 0.000 0.000 0.200 381 E C 2.123 178.605 176.600 -0.197 0.000 1.012 381 E CA 1.622 57.913 56.400 -0.181 0.000 0.812 381 E CB -0.227 29.449 29.700 -0.040 0.000 0.743 381 E HN 0.155 nan 8.360 nan 0.000 0.453 382 V N 0.513 120.347 119.914 -0.134 0.000 2.453 382 V HA -0.208 3.912 4.120 0.000 0.000 0.247 382 V C 2.428 178.488 176.094 -0.057 0.000 1.048 382 V CA 2.097 64.348 62.300 -0.082 0.000 1.049 382 V CB 0.045 31.834 31.823 -0.055 0.000 0.672 382 V HN 0.218 nan 8.190 nan 0.000 0.457 383 S N -0.469 115.205 115.700 -0.043 0.000 2.372 383 S HA -0.215 4.256 4.470 0.000 0.000 0.227 383 S C 1.944 176.605 174.600 0.101 0.000 1.044 383 S CA 2.311 60.553 58.200 0.070 0.000 1.050 383 S CB -0.421 62.899 63.200 0.200 0.000 0.901 383 S HN 0.501 nan 8.310 nan 0.000 0.447 384 V N 1.707 121.578 119.914 -0.072 0.000 2.332 384 V HA -0.187 3.933 4.120 0.000 0.000 0.248 384 V C 2.519 178.638 176.094 0.042 0.000 1.055 384 V CA 2.274 64.523 62.300 -0.085 0.000 1.038 384 V CB -0.712 30.693 31.823 -0.696 0.000 0.651 384 V HN 0.492 nan 8.190 nan 0.000 0.450 385 K N 0.068 120.442 120.400 -0.043 0.000 1.991 385 K HA -0.209 4.111 4.320 0.000 0.000 0.212 385 K C 2.312 178.931 176.600 0.032 0.000 1.049 385 K CA 1.628 57.917 56.287 0.002 0.000 0.932 385 K CB -0.501 31.983 32.500 -0.026 0.000 0.717 385 K HN 0.404 nan 8.250 nan 0.000 0.441 386 A N 1.441 124.256 122.820 -0.008 0.000 1.896 386 A HA -0.283 4.037 4.320 0.000 0.000 0.220 386 A C 2.034 179.573 177.584 -0.074 0.000 1.206 386 A CA 2.059 54.059 52.037 -0.060 0.000 0.647 386 A CB -1.227 17.707 19.000 -0.110 0.000 0.828 386 A HN 0.477 nan 8.150 nan 0.000 0.455 387 H N -1.268 117.775 119.070 -0.046 0.000 2.352 387 H HA -0.144 4.413 4.556 0.000 0.000 0.299 387 H C 2.220 177.518 175.328 -0.051 0.000 1.097 387 H CA 2.066 58.035 56.048 -0.132 0.000 1.311 387 H CB -0.147 29.491 29.762 -0.206 0.000 1.377 387 H HN 0.675 nan 8.280 nan 0.000 0.504 388 E N 0.831 121.184 120.200 0.255 0.000 2.106 388 E HA -0.074 4.276 4.350 0.000 0.000 0.192 388 E C 2.320 178.990 176.600 0.118 0.000 0.984 388 E CA 1.130 57.692 56.400 0.270 0.000 0.806 388 E CB -0.170 29.716 29.700 0.310 0.000 0.750 388 E HN 0.381 nan 8.360 nan 0.000 0.458 389 A N 0.044 122.897 122.820 0.056 0.000 1.845 389 A HA -0.149 4.171 4.320 0.000 0.000 0.215 389 A C 2.500 180.072 177.584 -0.020 0.000 1.195 389 A CA 1.786 53.827 52.037 0.007 0.000 0.616 389 A CB -0.947 18.039 19.000 -0.024 0.000 0.832 389 A HN 0.188 nan 8.150 nan 0.000 0.443 390 V N 0.280 120.163 119.914 -0.053 0.000 2.407 390 V HA -0.264 3.856 4.120 0.000 0.000 0.248 390 V C 2.652 178.716 176.094 -0.050 0.000 1.055 390 V CA 2.263 64.516 62.300 -0.079 0.000 1.049 390 V CB -0.898 30.848 31.823 -0.127 0.000 0.662 390 V HN 0.639 nan 8.190 nan 0.000 0.455 391 R N -0.104 120.368 120.500 -0.048 0.000 2.083 391 R HA -0.168 4.172 4.340 0.000 0.000 0.237 391 R C 2.296 178.626 176.300 0.050 0.000 1.137 391 R CA 1.812 57.881 56.100 -0.052 0.000 0.951 391 R CB -0.314 29.926 30.300 -0.100 0.000 0.851 391 R HN 0.453 nan 8.270 nan 0.000 0.434 392 L N 0.149 121.421 121.223 0.081 0.000 2.056 392 L HA -0.102 4.239 4.340 0.000 0.000 0.207 392 L C 2.707 179.665 176.870 0.147 0.000 1.078 392 L CA 1.332 56.246 54.840 0.124 0.000 0.749 392 L CB -0.451 41.672 42.059 0.107 0.000 0.901 392 L HN 0.297 nan 8.230 nan 0.000 0.433 393 A N -0.161 122.712 122.820 0.089 0.000 1.969 393 A HA -0.220 4.100 4.320 0.000 0.000 0.218 393 A C 2.058 179.798 177.584 0.261 0.000 1.169 393 A CA 1.859 53.971 52.037 0.126 0.000 0.635 393 A CB -0.630 18.366 19.000 -0.006 0.000 0.810 393 A HN 0.439 nan 8.150 nan 0.000 0.445 394 N N 0.156 118.957 118.700 0.169 0.000 2.166 394 N HA -0.122 4.618 4.740 0.000 0.000 0.186 394 N C 1.249 176.881 175.510 0.203 0.000 1.019 394 N CA 1.662 54.828 53.050 0.193 0.000 0.856 394 N CB -0.160 38.380 38.487 0.089 0.000 0.993 394 N HN 0.641 nan 8.380 nan 0.000 0.426 395 E N -1.554 118.758 120.200 0.187 0.000 2.476 395 E HA -0.020 4.330 4.350 0.000 0.000 0.196 395 E C -0.660 176.030 176.600 0.151 0.000 1.029 395 E CA -0.409 56.083 56.400 0.153 0.000 0.896 395 E CB 0.160 29.953 29.700 0.156 0.000 1.012 395 E HN 0.347 nan 8.360 nan 0.000 0.475 396 Y N 1.657 121.996 120.300 0.064 0.000 2.511 396 Y HA -0.071 4.479 4.550 0.000 0.000 0.332 396 Y C 1.158 177.054 175.900 -0.006 0.000 1.177 396 Y CA 0.579 58.703 58.100 0.040 0.000 1.422 396 Y CB 0.787 39.285 38.460 0.064 0.000 1.271 396 Y HN -0.153 nan 8.280 nan 0.000 0.550 397 Q N 3.387 122.766 119.800 -0.702 0.000 2.281 397 Q HA 0.298 4.639 4.340 0.000 0.000 0.215 397 Q C 0.616 176.229 176.000 -0.644 0.000 0.867 397 Q CA 0.421 55.920 55.803 -0.507 0.000 0.940 397 Q CB 0.586 29.153 28.738 -0.285 0.000 1.111 397 Q HN 0.928 nan 8.270 nan 0.000 0.513 398 G N -0.532 107.503 108.800 -1.276 0.000 2.531 398 G HA2 0.563 4.524 3.960 0.000 0.000 0.281 398 G HA3 0.563 4.524 3.960 0.000 0.000 0.281 398 G C -0.846 173.938 174.900 -0.193 0.000 1.382 398 G CA -0.331 44.402 45.100 -0.612 0.000 1.045 398 G HN 0.263 nan 8.290 nan 0.000 0.533 399 A N 0.003 122.864 122.820 0.068 0.000 2.484 399 A HA 0.396 4.716 4.320 0.000 0.000 0.268 399 A C 0.529 178.242 177.584 0.214 0.000 1.114 399 A CA 0.150 52.250 52.037 0.105 0.000 0.780 399 A CB -0.189 18.861 19.000 0.083 0.000 1.061 399 A HN 0.479 nan 8.150 nan 0.000 0.505 400 K N 2.262 122.734 120.400 0.121 0.000 2.143 400 K HA 0.523 4.843 4.320 0.000 0.000 0.272 400 K C 0.422 177.083 176.600 0.100 0.000 1.001 400 K CA -0.243 56.118 56.287 0.123 0.000 0.915 400 K CB 1.521 33.980 32.500 -0.068 0.000 1.047 400 K HN 0.775 nan 8.250 nan 0.000 0.458 401 A N 1.641 124.534 122.820 0.120 0.000 2.507 401 A HA 0.174 4.494 4.320 0.000 0.000 0.235 401 A C 1.384 179.023 177.584 0.091 0.000 1.070 401 A CA 0.660 52.746 52.037 0.082 0.000 0.768 401 A CB 0.088 19.117 19.000 0.047 0.000 1.011 401 A HN 0.930 nan 8.150 nan 0.000 0.502 402 A N 1.972 124.828 122.820 0.059 0.000 1.948 402 A HA 0.022 4.342 4.320 0.000 0.000 0.220 402 A C 1.917 179.539 177.584 0.063 0.000 1.177 402 A CA 2.133 54.201 52.037 0.052 0.000 0.636 402 A CB -0.929 18.091 19.000 0.033 0.000 0.815 402 A HN 1.634 nan 8.150 nan 0.000 0.449 403 G N -2.736 106.097 108.800 0.054 0.000 3.383 403 G HA2 0.167 4.127 3.960 0.000 0.000 0.251 403 G HA3 0.167 4.127 3.960 0.000 0.000 0.251 403 G C 0.876 175.810 174.900 0.056 0.000 1.203 403 G CA 0.425 45.548 45.100 0.039 0.000 0.852 403 G HN 0.540 nan 8.290 nan 0.000 0.531 404 Y N 1.446 121.734 120.300 -0.019 0.000 2.096 404 Y HA -0.340 4.210 4.550 0.000 0.000 0.276 404 Y C 2.165 178.054 175.900 -0.019 0.000 1.209 404 Y CA 2.448 60.536 58.100 -0.020 0.000 1.137 404 Y CB 0.144 38.605 38.460 0.002 0.000 0.956 404 Y HN 0.275 nan 8.280 nan 0.000 0.506 405 D N 0.027 120.497 120.400 0.118 0.000 2.084 405 D HA -0.181 4.459 4.640 0.000 0.000 0.194 405 D C 1.876 178.126 176.300 -0.082 0.000 0.990 405 D CA 1.701 55.714 54.000 0.022 0.000 0.826 405 D CB -0.535 40.320 40.800 0.092 0.000 0.971 405 D HN 0.468 nan 8.370 nan 0.000 0.453 406 D N 0.365 120.729 120.400 -0.060 0.000 2.117 406 D HA -0.097 4.544 4.640 0.000 0.000 0.197 406 D C 2.444 178.672 176.300 -0.120 0.000 0.987 406 D CA 0.392 54.342 54.000 -0.083 0.000 0.829 406 D CB -0.257 40.506 40.800 -0.062 0.000 0.961 406 D HN 0.216 nan 8.370 nan 0.000 0.460 407 L N 0.279 121.420 121.223 -0.136 0.000 2.012 407 L HA -0.192 4.148 4.340 0.000 0.000 0.210 407 L C 2.591 179.331 176.870 -0.216 0.000 1.073 407 L CA 0.842 55.583 54.840 -0.166 0.000 0.748 407 L CB -0.383 41.575 42.059 -0.167 0.000 0.891 407 L HN 0.050 nan 8.230 nan 0.000 0.431 408 M N -0.654 118.752 119.600 -0.323 0.000 2.202 408 M HA -0.200 4.280 4.480 0.000 0.000 0.262 408 M C 2.288 178.497 176.300 -0.151 0.000 1.063 408 M CA 1.780 56.888 55.300 -0.320 0.000 1.097 408 M CB -0.873 31.424 32.600 -0.504 0.000 1.382 408 M HN 0.235 nan 8.290 nan 0.000 0.413 409 I N -0.166 120.334 120.570 -0.118 0.000 2.163 409 I HA -0.325 3.845 4.170 0.000 0.000 0.240 409 I C 2.421 178.479 176.117 -0.098 0.000 1.081 409 I CA 1.242 62.502 61.300 -0.067 0.000 1.353 409 I CB -0.261 37.658 38.000 -0.135 0.000 1.054 409 I HN 0.343 nan 8.210 nan 0.000 0.407 410 Q N 0.331 120.051 119.800 -0.133 0.000 2.181 410 Q HA -0.199 4.141 4.340 0.000 0.000 0.205 410 Q C 2.328 178.268 176.000 -0.100 0.000 0.980 410 Q CA 1.658 57.384 55.803 -0.129 0.000 0.862 410 Q CB -0.268 28.399 28.738 -0.120 0.000 0.905 410 Q HN 0.593 nan 8.270 nan 0.000 0.429 411 A N 1.132 123.891 122.820 -0.101 0.000 1.873 411 A HA -0.164 4.156 4.320 0.000 0.000 0.215 411 A C 1.979 179.518 177.584 -0.076 0.000 1.186 411 A CA 1.130 53.107 52.037 -0.100 0.000 0.616 411 A CB -0.334 18.585 19.000 -0.134 0.000 0.823 411 A HN 0.183 nan 8.150 nan 0.000 0.442 412 R N -0.659 119.826 120.500 -0.025 0.000 2.091 412 R HA -0.182 4.158 4.340 0.000 0.000 0.238 412 R C 2.252 178.616 176.300 0.106 0.000 1.136 412 R CA 1.638 57.752 56.100 0.024 0.000 0.959 412 R CB -0.254 30.112 30.300 0.109 0.000 0.856 412 R HN 0.701 nan 8.270 nan 0.000 0.437 413 E N 0.621 120.925 120.200 0.173 0.000 2.077 413 E HA -0.183 4.167 4.350 0.000 0.000 0.193 413 E C 1.863 178.458 176.600 -0.008 0.000 0.989 413 E CA 1.440 57.927 56.400 0.144 0.000 0.800 413 E CB 0.011 29.679 29.700 -0.054 0.000 0.746 413 E HN 0.083 nan 8.360 nan 0.000 0.452 414 M N -0.013 119.538 119.600 -0.081 0.000 2.099 414 M HA -0.105 4.375 4.480 0.000 0.000 0.262 414 M C 2.329 178.572 176.300 -0.094 0.000 1.067 414 M CA 0.929 56.152 55.300 -0.127 0.000 1.124 414 M CB -0.884 31.666 32.600 -0.083 0.000 1.353 414 M HN 0.124 nan 8.290 nan 0.000 0.410 415 V N 0.521 120.362 119.914 -0.121 0.000 2.250 415 V HA -0.342 3.778 4.120 0.000 0.000 0.250 415 V C 2.633 178.650 176.094 -0.128 0.000 1.060 415 V CA 2.360 64.535 62.300 -0.208 0.000 1.030 415 V CB -0.923 30.662 31.823 -0.396 0.000 0.643 415 V HN 0.487 nan 8.190 nan 0.000 0.445 416 R N 0.200 120.648 120.500 -0.086 0.000 2.088 416 R HA -0.257 4.084 4.340 0.000 0.000 0.232 416 R C 2.484 178.828 176.300 0.073 0.000 1.136 416 R CA 2.462 58.561 56.100 -0.002 0.000 0.926 416 R CB -0.401 29.937 30.300 0.063 0.000 0.837 416 R HN 0.458 nan 8.270 nan 0.000 0.429 417 K N -0.736 119.623 120.400 -0.068 0.000 2.063 417 K HA -0.114 4.207 4.320 0.000 0.000 0.208 417 K C 2.029 178.633 176.600 0.008 0.000 1.048 417 K CA 1.648 57.710 56.287 -0.376 0.000 0.928 417 K CB -0.427 31.431 32.500 -1.070 0.000 0.713 417 K HN 0.443 nan 8.250 nan 0.000 0.442 418 G N 0.630 109.479 108.800 0.082 0.000 2.442 418 G HA2 -0.321 3.639 3.960 0.000 0.000 0.219 418 G HA3 -0.321 3.639 3.960 0.000 0.000 0.219 418 G C 1.375 176.450 174.900 0.293 0.000 1.141 418 G CA 0.904 46.164 45.100 0.267 0.000 0.763 418 G HN 0.417 nan 8.290 nan 0.000 0.554 419 Q N -0.865 119.032 119.800 0.161 0.000 2.049 419 Q HA 0.010 4.350 4.340 0.000 0.000 0.198 419 Q C 2.167 177.917 176.000 -0.417 0.000 0.971 419 Q CA 0.869 56.609 55.803 -0.105 0.000 0.833 419 Q CB -0.319 28.484 28.738 0.107 0.000 0.896 419 Q HN 0.435 nan 8.270 nan 0.000 0.434 420 F N -0.195 119.677 119.950 -0.130 0.000 2.192 420 F HA -0.265 4.262 4.527 0.000 0.000 0.301 420 F C 1.342 177.159 175.800 0.028 0.000 1.079 420 F CA 1.232 59.213 58.000 -0.032 0.000 1.303 420 F CB -0.014 39.108 39.000 0.203 0.000 1.024 420 F HN 0.139 nan 8.300 nan 0.000 0.494 421 F N 0.518 120.448 119.950 -0.034 0.000 2.128 421 F HA -0.166 4.361 4.527 0.000 0.000 0.295 421 F C 2.386 178.194 175.800 0.014 0.000 1.100 421 F CA 1.640 59.635 58.000 -0.010 0.000 1.260 421 F CB -1.239 37.857 39.000 0.159 0.000 1.009 421 F HN 0.256 nan 8.300 nan 0.000 0.476 422 W N 0.251 121.687 121.300 0.227 0.000 2.381 422 W HA -0.177 4.483 4.660 0.000 0.000 0.301 422 W C 1.580 178.174 176.519 0.126 0.000 1.205 422 W CA 1.118 58.547 57.345 0.142 0.000 1.285 422 W CB -1.245 28.280 29.460 0.110 0.000 1.133 422 W HN 0.040 nan 8.180 nan 0.000 0.521 423 D N 0.763 120.855 120.400 -0.514 0.000 2.123 423 D HA -0.278 4.362 4.640 0.000 0.000 0.196 423 D C 1.980 178.219 176.300 -0.102 0.000 0.992 423 D CA 1.762 55.476 54.000 -0.476 0.000 0.833 423 D CB -0.980 39.406 40.800 -0.690 0.000 0.954 423 D HN 0.259 nan 8.370 nan 0.000 0.455 424 Y N -0.000 120.061 120.300 -0.399 0.000 2.193 424 Y HA -0.244 4.306 4.550 0.000 0.000 0.285 424 Y C 2.020 177.861 175.900 -0.100 0.000 1.166 424 Y CA 1.460 59.341 58.100 -0.366 0.000 1.181 424 Y CB 0.090 38.202 38.460 -0.581 0.000 0.976 424 Y HN -0.079 nan 8.280 nan 0.000 0.520 425 V N -1.623 118.444 119.914 0.256 0.000 2.575 425 V HA -0.162 3.959 4.120 0.000 0.000 0.242 425 V C 2.412 178.655 176.094 0.249 0.000 1.045 425 V CA 1.443 63.894 62.300 0.251 0.000 1.065 425 V CB -0.507 31.464 31.823 0.247 0.000 0.717 425 V HN 0.425 nan 8.190 nan 0.000 0.467 426 S N 0.858 116.768 115.700 0.350 0.000 2.370 426 S HA -0.191 4.279 4.470 0.000 0.000 0.226 426 S C 2.083 176.927 174.600 0.407 0.000 1.033 426 S CA 1.849 60.305 58.200 0.426 0.000 1.011 426 S CB -0.309 63.297 63.200 0.677 0.000 0.852 426 S HN 0.585 nan 8.310 nan 0.000 0.457 427 A N 0.986 124.011 122.820 0.341 0.000 1.969 427 A HA 0.099 4.419 4.320 0.000 0.000 0.218 427 A C 1.243 178.994 177.584 0.279 0.000 1.169 427 A CA 0.565 52.804 52.037 0.338 0.000 0.635 427 A CB -0.464 18.655 19.000 0.198 0.000 0.810 427 A HN 0.596 nan 8.150 nan 0.000 0.445 428 E N 0.611 120.918 120.200 0.178 0.000 2.414 428 E HA 0.008 4.358 4.350 0.000 0.000 0.263 428 E C -0.155 176.553 176.600 0.179 0.000 1.000 428 E CA -0.098 56.393 56.400 0.152 0.000 0.914 428 E CB 0.266 30.015 29.700 0.082 0.000 0.948 428 E HN 0.388 nan 8.360 nan 0.000 0.444 429 N N 1.185 119.985 118.700 0.166 0.000 2.299 429 N HA -0.062 4.678 4.740 0.000 0.000 0.187 429 N C 1.154 176.694 175.510 0.049 0.000 1.099 429 N CA 0.400 53.532 53.050 0.138 0.000 0.867 429 N CB 0.338 38.916 38.487 0.152 0.000 0.974 429 N HN 0.365 nan 8.380 nan 0.000 0.477 430 S N -0.290 115.363 115.700 -0.078 0.000 2.593 430 S HA 0.048 4.518 4.470 0.000 0.000 0.217 430 S C 0.925 175.506 174.600 -0.030 0.000 0.966 430 S CA -0.169 57.911 58.200 -0.200 0.000 0.914 430 S CB -0.026 62.679 63.200 -0.824 0.000 0.776 430 S HN -0.027 nan 8.310 nan 0.000 0.523 431 V N 0.994 120.923 119.914 0.026 0.000 5.487 431 V HA -0.185 3.935 4.120 0.000 0.000 0.302 431 V C 1.545 177.654 176.094 0.025 0.000 0.511 431 V CA 0.680 62.997 62.300 0.027 0.000 0.684 431 V CB -2.771 29.003 31.823 -0.081 0.000 0.458 431 V HN 1.210 nan 8.190 nan 0.000 1.195 432 G N -0.815 108.020 108.800 0.059 0.000 2.199 432 G HA2 -0.406 3.554 3.960 0.000 0.000 0.254 432 G HA3 -0.406 3.554 3.960 0.000 0.000 0.254 432 G C 0.366 175.327 174.900 0.102 0.000 0.982 432 G CA 0.580 45.725 45.100 0.075 0.000 0.632 432 G HN 1.338 nan 8.290 nan 0.000 0.529 433 F N 1.334 121.267 119.950 -0.028 0.000 2.134 433 F HA 0.036 4.563 4.527 0.000 0.000 0.299 433 F C 2.394 178.286 175.800 0.153 0.000 1.097 433 F CA 2.508 60.529 58.000 0.035 0.000 1.264 433 F CB -0.355 38.651 39.000 0.009 0.000 1.001 433 F HN 0.433 nan 8.300 nan 0.000 0.479 434 H N -1.523 117.568 119.070 0.036 0.000 2.387 434 H HA -0.109 4.447 4.556 0.000 0.000 0.299 434 H C 0.391 175.655 175.328 -0.107 0.000 1.090 434 H CA 1.045 57.089 56.048 -0.006 0.000 1.332 434 H CB -0.018 29.851 29.762 0.179 0.000 1.386 434 H HN 0.060 nan 8.280 nan 0.000 0.516 435 N N -0.826 117.907 118.700 0.056 0.000 2.707 435 N HA 0.084 4.824 4.740 0.000 0.000 0.249 435 N C -2.376 173.132 175.510 -0.003 0.000 1.299 435 N CA -1.668 51.376 53.050 -0.012 0.000 0.769 435 N CB 0.932 39.428 38.487 0.014 0.000 1.236 435 N HN -0.083 nan 8.380 nan 0.000 0.524 436 P HA -0.141 nan 4.420 nan 0.000 0.214 436 P C 1.060 178.368 177.300 0.013 0.000 1.169 436 P CA 1.781 64.885 63.100 0.008 0.000 0.908 436 P CB 0.341 32.046 31.700 0.007 0.000 0.791 437 A N -0.630 122.186 122.820 -0.006 0.000 1.930 437 A HA -0.203 4.118 4.320 0.000 0.000 0.217 437 A C 2.278 179.862 177.584 -0.000 0.000 1.175 437 A CA 1.547 53.582 52.037 -0.003 0.000 0.627 437 A CB -1.118 17.873 19.000 -0.015 0.000 0.815 437 A HN 0.077 nan 8.150 nan 0.000 0.443 438 K N -0.338 120.060 120.400 -0.003 0.000 2.057 438 K HA -0.103 4.217 4.320 0.000 0.000 0.207 438 K C 2.253 178.865 176.600 0.019 0.000 1.049 438 K CA 1.129 57.416 56.287 0.000 0.000 0.931 438 K CB -0.284 32.219 32.500 0.005 0.000 0.714 438 K HN 0.412 nan 8.250 nan 0.000 0.440 439 A N 1.338 124.187 122.820 0.049 0.000 1.845 439 A HA -0.143 4.177 4.320 0.000 0.000 0.215 439 A C 2.162 179.779 177.584 0.054 0.000 1.195 439 A CA 1.291 53.373 52.037 0.075 0.000 0.616 439 A CB -0.681 18.369 19.000 0.083 0.000 0.832 439 A HN 0.255 nan 8.150 nan 0.000 0.443 440 L N -0.545 120.699 121.223 0.034 0.000 2.093 440 L HA -0.172 4.168 4.340 0.000 0.000 0.208 440 L C 2.418 179.296 176.870 0.013 0.000 1.085 440 L CA 1.640 56.492 54.840 0.019 0.000 0.755 440 L CB -0.622 41.442 42.059 0.008 0.000 0.904 440 L HN 0.542 nan 8.230 nan 0.000 0.435 441 D N -0.313 120.095 120.400 0.012 0.000 2.104 441 D HA -0.205 4.436 4.640 0.000 0.000 0.194 441 D C 1.959 178.278 176.300 0.031 0.000 0.994 441 D CA 1.995 56.001 54.000 0.009 0.000 0.830 441 D CB 0.081 40.886 40.800 0.008 0.000 0.959 441 D HN 0.117 nan 8.370 nan 0.000 0.452 442 T N 0.017 114.602 114.554 0.051 0.000 2.777 442 T HA -0.064 4.286 4.350 0.000 0.000 0.266 442 T C 2.032 176.830 174.700 0.164 0.000 1.040 442 T CA 0.869 63.043 62.100 0.123 0.000 1.141 442 T CB -0.308 68.551 68.868 -0.015 0.000 0.868 442 T HN 0.163 nan 8.240 nan 0.000 0.444 443 L N 0.714 121.998 121.223 0.102 0.000 2.083 443 L HA -0.086 4.254 4.340 0.000 0.000 0.209 443 L C 2.990 179.875 176.870 0.025 0.000 1.083 443 L CA 1.140 56.037 54.840 0.095 0.000 0.752 443 L CB -0.607 41.491 42.059 0.064 0.000 0.899 443 L HN 0.253 nan 8.230 nan 0.000 0.433 444 A N -0.674 122.134 122.820 -0.021 0.000 1.969 444 A HA -0.202 4.118 4.320 0.000 0.000 0.218 444 A C 2.206 179.672 177.584 -0.196 0.000 1.169 444 A CA 1.241 53.226 52.037 -0.087 0.000 0.635 444 A CB -0.287 18.666 19.000 -0.078 0.000 0.810 444 A HN 0.481 nan 8.150 nan 0.000 0.445 445 Q N -0.842 118.818 119.800 -0.235 0.000 2.137 445 Q HA -0.091 4.249 4.340 0.000 0.000 0.198 445 Q C 2.390 177.895 176.000 -0.825 0.000 0.960 445 Q CA 1.217 56.642 55.803 -0.630 0.000 0.847 445 Q CB -0.246 28.169 28.738 -0.538 0.000 0.915 445 Q HN 0.671 nan 8.270 nan 0.000 0.448 446 S N 1.205 116.761 115.700 -0.239 0.000 2.369 446 S HA -0.342 4.129 4.470 0.000 0.000 0.225 446 S C 2.010 176.569 174.600 -0.068 0.000 1.043 446 S CA 2.030 60.240 58.200 0.015 0.000 1.074 446 S CB -0.186 63.183 63.200 0.282 0.000 0.962 446 S HN 0.369 nan 8.310 nan 0.000 0.433 447 Q N 0.417 120.164 119.800 -0.089 0.000 2.062 447 Q HA -0.250 4.090 4.340 0.000 0.000 0.209 447 Q C 2.331 178.244 176.000 -0.145 0.000 0.996 447 Q CA 2.515 58.262 55.803 -0.093 0.000 0.859 447 Q CB -0.366 28.314 28.738 -0.097 0.000 0.920 447 Q HN 0.738 nan 8.270 nan 0.000 0.415 448 Q N -0.900 118.725 119.800 -0.291 0.000 2.050 448 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 448 Q C 1.976 177.888 176.000 -0.148 0.000 0.980 448 Q CA 1.863 57.501 55.803 -0.275 0.000 0.840 448 Q CB -0.235 28.244 28.738 -0.432 0.000 0.898 448 Q HN 0.473 nan 8.270 nan 0.000 0.424 449 F N 0.241 120.102 119.950 -0.148 0.000 2.069 449 F HA -0.259 4.269 4.527 0.000 0.000 0.298 449 F C 2.676 178.409 175.800 -0.112 0.000 1.113 449 F CA 0.606 58.507 58.000 -0.165 0.000 1.214 449 F CB -0.348 38.500 39.000 -0.253 0.000 0.978 449 F HN -0.004 nan 8.300 nan 0.000 0.474 450 S N -0.299 115.460 115.700 0.099 0.000 2.374 450 S HA -0.311 4.159 4.470 0.000 0.000 0.227 450 S C 1.856 176.455 174.600 -0.003 0.000 1.037 450 S CA 1.668 59.890 58.200 0.036 0.000 1.024 450 S CB -0.475 62.751 63.200 0.042 0.000 0.861 450 S HN 0.298 nan 8.310 nan 0.000 0.456 451 Q N 1.718 121.512 119.800 -0.010 0.000 2.124 451 Q HA -0.038 4.302 4.340 0.000 0.000 0.202 451 Q C 1.939 177.930 176.000 -0.014 0.000 0.977 451 Q CA 1.733 57.524 55.803 -0.019 0.000 0.850 451 Q CB -0.319 28.400 28.738 -0.031 0.000 0.901 451 Q HN 0.519 nan 8.270 nan 0.000 0.429 452 K N -0.667 119.733 120.400 0.000 0.000 2.057 452 K HA -0.115 4.205 4.320 0.000 0.000 0.207 452 K C 1.877 178.461 176.600 -0.027 0.000 1.049 452 K CA 1.232 57.518 56.287 -0.002 0.000 0.931 452 K CB -0.409 32.106 32.500 0.026 0.000 0.714 452 K HN 0.241 nan 8.250 nan 0.000 0.440 453 A N 1.589 124.388 122.820 -0.035 0.000 1.869 453 A HA -0.241 4.079 4.320 0.000 0.000 0.218 453 A C 2.110 179.651 177.584 -0.072 0.000 1.203 453 A CA 2.233 54.229 52.037 -0.069 0.000 0.638 453 A CB -0.972 17.975 19.000 -0.089 0.000 0.831 453 A HN 0.397 nan 8.150 nan 0.000 0.450 454 I N 0.028 120.566 120.570 -0.054 0.000 2.145 454 I HA -0.331 3.840 4.170 0.000 0.000 0.244 454 I C 1.953 178.043 176.117 -0.046 0.000 1.075 454 I CA 1.838 63.111 61.300 -0.045 0.000 1.332 454 I CB -0.732 37.254 38.000 -0.023 0.000 1.033 454 I HN 0.297 nan 8.210 nan 0.000 0.410 455 D N 0.882 121.266 120.400 -0.027 0.000 2.144 455 D HA -0.128 4.513 4.640 0.000 0.000 0.199 455 D C 2.351 178.611 176.300 -0.066 0.000 0.984 455 D CA 1.300 55.296 54.000 -0.006 0.000 0.834 455 D CB -0.297 40.512 40.800 0.015 0.000 0.955 455 D HN 0.348 nan 8.370 nan 0.000 0.465 456 L N 0.659 121.830 121.223 -0.086 0.000 2.044 456 L HA -0.059 4.281 4.340 0.000 0.000 0.205 456 L C 2.582 179.344 176.870 -0.180 0.000 1.075 456 L CA 1.024 55.790 54.840 -0.125 0.000 0.747 456 L CB -0.472 41.520 42.059 -0.112 0.000 0.903 456 L HN -0.048 nan 8.230 nan 0.000 0.435 457 A N -0.158 122.563 122.820 -0.165 0.000 1.940 457 A HA -0.227 4.094 4.320 0.000 0.000 0.219 457 A C 2.325 179.766 177.584 -0.239 0.000 1.176 457 A CA 1.827 53.755 52.037 -0.182 0.000 0.631 457 A CB -0.460 18.462 19.000 -0.130 0.000 0.814 457 A HN 0.371 nan 8.150 nan 0.000 0.446 458 M N -1.604 117.837 119.600 -0.265 0.000 2.236 458 M HA -0.080 4.401 4.480 0.000 0.000 0.266 458 M C 2.180 177.963 176.300 -0.862 0.000 1.070 458 M CA 1.495 56.525 55.300 -0.450 0.000 1.137 458 M CB -0.377 32.077 32.600 -0.242 0.000 1.378 458 M HN 0.619 nan 8.290 nan 0.000 0.426 459 E N 0.919 120.751 120.200 -0.612 0.000 2.077 459 E HA -0.171 4.180 4.350 0.000 0.000 0.193 459 E C 1.915 178.298 176.600 -0.362 0.000 0.989 459 E CA 1.331 57.413 56.400 -0.530 0.000 0.800 459 E CB 0.067 29.644 29.700 -0.206 0.000 0.746 459 E HN 0.454 nan 8.360 nan 0.000 0.452 460 A N 0.256 122.918 122.820 -0.263 0.000 2.067 460 A HA -0.110 4.211 4.320 0.000 0.000 0.219 460 A C 2.078 179.640 177.584 -0.037 0.000 1.158 460 A CA 1.739 53.706 52.037 -0.115 0.000 0.661 460 A CB -0.451 18.432 19.000 -0.195 0.000 0.801 460 A HN 0.414 nan 8.150 nan 0.000 0.452 461 T N -3.678 110.720 114.554 -0.260 0.000 3.134 461 T HA 0.283 4.634 4.350 0.000 0.000 0.260 461 T C 0.339 174.817 174.700 -0.370 0.000 1.027 461 T CA 0.242 62.080 62.100 -0.438 0.000 0.913 461 T CB -0.249 68.102 68.868 -0.862 0.000 1.046 461 T HN 0.522 nan 8.240 nan 0.000 0.553 462 Q N 0.489 120.134 119.800 -0.258 0.000 2.408 462 Q HA -0.283 4.057 4.340 0.000 0.000 0.290 462 Q C -0.641 175.379 176.000 0.032 0.000 1.221 462 Q CA 0.703 56.455 55.803 -0.085 0.000 0.895 462 Q CB -2.305 26.468 28.738 0.059 0.000 1.241 462 Q HN 0.870 nan 8.270 nan 0.000 0.494 463 Y N -4.891 115.342 120.300 -0.111 0.000 4.729 463 Y HA -0.302 4.248 4.550 0.000 0.000 0.239 463 Y C 1.549 177.393 175.900 -0.093 0.000 1.043 463 Y CA 0.695 58.739 58.100 -0.093 0.000 2.045 463 Y CB -1.927 36.505 38.460 -0.046 0.000 1.599 463 Y HN 0.455 nan 8.280 nan 0.000 0.655 464 G N 0.663 109.399 108.800 -0.106 0.000 2.679 464 G HA2 0.006 3.966 3.960 0.000 0.000 0.212 464 G HA3 0.006 3.966 3.960 0.000 0.000 0.212 464 G C 1.339 176.230 174.900 -0.016 0.000 1.137 464 G CA 0.916 46.010 45.100 -0.010 0.000 0.787 464 G HN 0.751 nan 8.290 nan 0.000 0.534 465 I N -2.546 117.941 120.570 -0.138 0.000 3.427 465 I HA 0.328 4.498 4.170 0.000 0.000 0.288 465 I C 2.382 178.512 176.117 0.021 0.000 1.249 465 I CA 0.483 61.756 61.300 -0.044 0.000 1.421 465 I CB -0.239 37.703 38.000 -0.097 0.000 1.086 465 I HN -0.053 nan 8.210 nan 0.000 0.448 466 G N 3.654 112.478 108.800 0.040 0.000 2.574 466 G HA2 -0.384 3.576 3.960 0.000 0.000 0.220 466 G HA3 -0.384 3.576 3.960 0.000 0.000 0.220 466 G C 1.660 176.592 174.900 0.053 0.000 1.173 466 G CA 1.733 46.873 45.100 0.066 0.000 0.772 466 G HN 0.700 nan 8.290 nan 0.000 0.585 467 K N -0.090 120.345 120.400 0.058 0.000 2.228 467 K HA -0.145 4.175 4.320 0.000 0.000 0.205 467 K C 1.039 177.669 176.600 0.049 0.000 1.045 467 K CA 1.780 58.098 56.287 0.052 0.000 0.931 467 K CB -0.181 32.354 32.500 0.059 0.000 0.727 467 K HN 0.211 nan 8.250 nan 0.000 0.458 468 D N 0.411 120.845 120.400 0.057 0.000 2.340 468 D HA 0.116 4.756 4.640 0.000 0.000 0.217 468 D C 0.675 177.006 176.300 0.051 0.000 1.081 468 D CA 0.354 54.389 54.000 0.058 0.000 0.842 468 D CB 0.414 41.261 40.800 0.078 0.000 0.934 468 D HN 0.251 nan 8.370 nan 0.000 0.511 469 L N -0.095 121.153 121.223 0.042 0.000 3.289 469 L HA 0.176 4.516 4.340 0.000 0.000 0.291 469 L C 1.588 178.473 176.870 0.025 0.000 1.279 469 L CA 0.031 54.891 54.840 0.035 0.000 1.025 469 L CB 0.844 42.923 42.059 0.034 0.000 1.413 469 L HN -0.216 nan 8.230 nan 0.000 0.593 470 S N -0.282 115.431 115.700 0.022 0.000 2.387 470 S HA 0.139 4.609 4.470 0.000 0.000 0.221 470 S C 1.354 175.960 174.600 0.009 0.000 1.041 470 S CA 0.859 59.068 58.200 0.016 0.000 0.959 470 S CB 0.258 63.467 63.200 0.016 0.000 0.843 470 S HN 0.546 nan 8.310 nan 0.000 0.488 471 G N 0.960 109.765 108.800 0.008 0.000 2.624 471 G HA2 0.244 4.204 3.960 0.000 0.000 0.217 471 G HA3 0.244 4.204 3.960 0.000 0.000 0.217 471 G C -0.638 174.263 174.900 0.002 0.000 1.506 471 G CA -0.321 44.781 45.100 0.003 0.000 1.072 471 G HN 0.334 nan 8.290 nan 0.000 0.568 472 D N -1.038 119.363 120.400 0.001 0.000 2.351 472 D HA 0.073 4.713 4.640 0.000 0.000 0.251 472 D C 1.333 177.640 176.300 0.011 0.000 1.137 472 D CA -0.532 53.470 54.000 0.004 0.000 0.879 472 D CB 1.092 41.892 40.800 -0.000 0.000 1.181 472 D HN 0.076 nan 8.370 nan 0.000 0.448 473 I N 3.676 124.259 120.570 0.021 0.000 2.454 473 I HA -0.166 4.004 4.170 0.000 0.000 0.254 473 I C 1.797 177.961 176.117 0.079 0.000 1.156 473 I CA 1.473 62.793 61.300 0.033 0.000 1.433 473 I CB -0.027 37.979 38.000 0.011 0.000 1.082 473 I HN 0.444 nan 8.210 nan 0.000 0.432 474 K N -0.506 119.943 120.400 0.082 0.000 2.283 474 K HA -0.083 4.238 4.320 0.000 0.000 0.202 474 K C 1.722 178.317 176.600 -0.010 0.000 1.048 474 K CA 1.648 57.964 56.287 0.049 0.000 0.948 474 K CB -0.187 32.305 32.500 -0.014 0.000 0.742 474 K HN 0.568 nan 8.250 nan 0.000 0.458 475 T N -1.987 112.559 114.554 -0.013 0.000 3.057 475 T HA 0.145 4.495 4.350 0.000 0.000 0.254 475 T C 1.738 176.410 174.700 -0.045 0.000 1.094 475 T CA 0.112 62.191 62.100 -0.035 0.000 1.088 475 T CB -0.029 68.822 68.868 -0.029 0.000 0.934 475 T HN 0.000 nan 8.240 nan 0.000 0.497 476 I N 1.029 121.581 120.570 -0.030 0.000 2.296 476 I HA 0.110 4.280 4.170 0.000 0.000 0.242 476 I C 0.334 176.397 176.117 -0.090 0.000 1.087 476 I CA 0.531 61.809 61.300 -0.037 0.000 1.393 476 I CB 0.301 38.300 38.000 -0.002 0.000 1.093 476 I HN 0.029 nan 8.210 nan 0.000 0.421 477 V N 2.712 122.569 119.914 -0.094 0.000 2.276 477 V HA 0.316 4.437 4.120 0.000 0.000 0.268 477 V C -2.462 173.607 176.094 -0.042 0.000 1.032 477 V CA -1.634 60.536 62.300 -0.217 0.000 0.810 477 V CB 0.179 31.766 31.823 -0.394 0.000 1.060 477 V HN 0.007 nan 8.190 nan 0.000 0.446 478 P HA 0.159 nan 4.420 nan 0.000 0.267 478 P C -2.610 174.689 177.300 -0.001 0.000 1.200 478 P CA -1.011 62.062 63.100 -0.046 0.000 0.772 478 P CB -0.124 31.521 31.700 -0.092 0.000 0.855 479 P HA 0.077 nan 4.420 nan 0.000 0.267 479 P C -0.277 176.958 177.300 -0.108 0.000 1.209 479 P CA 0.441 63.348 63.100 -0.322 0.000 0.763 479 P CB 0.001 31.417 31.700 -0.473 0.000 0.816 480 I N 4.320 124.839 120.570 -0.084 0.000 2.389 480 I HA -0.034 4.136 4.170 0.000 0.000 0.295 480 I C 1.575 177.745 176.117 0.089 0.000 1.117 480 I CA 0.013 61.306 61.300 -0.011 0.000 1.317 480 I CB 0.282 38.272 38.000 -0.017 0.000 1.431 480 I HN 0.375 nan 8.210 nan 0.000 0.521 481 L N 7.013 128.302 121.223 0.110 0.000 2.102 481 L HA 0.161 4.501 4.340 0.000 0.000 0.202 481 L C 0.766 177.749 176.870 0.188 0.000 1.076 481 L CA 1.654 56.569 54.840 0.126 0.000 0.761 481 L CB -0.165 41.953 42.059 0.099 0.000 0.921 481 L HN 0.380 nan 8.230 nan 0.000 0.444 482 K N 0.197 120.751 120.400 0.257 0.000 2.164 482 K HA 0.577 4.897 4.320 0.000 0.000 0.258 482 K C -1.223 175.610 176.600 0.389 0.000 0.951 482 K CA -0.627 55.828 56.287 0.279 0.000 0.844 482 K CB 1.891 34.554 32.500 0.272 0.000 1.099 482 K HN 0.059 nan 8.250 nan 0.000 0.435 483 M N 2.761 122.519 119.600 0.263 0.000 2.405 483 M HA 0.150 4.631 4.480 0.000 0.000 0.262 483 M C -2.437 173.995 176.300 0.219 0.000 0.966 483 M CA -0.419 55.038 55.300 0.261 0.000 0.840 483 M CB 0.860 33.650 32.600 0.318 0.000 2.036 483 M HN 0.727 nan 8.290 nan 0.000 0.520 484 N N 2.148 120.941 118.700 0.155 0.000 3.039 484 N HA 0.610 5.350 4.740 0.000 0.000 0.257 484 N C -0.458 175.021 175.510 -0.052 0.000 1.497 484 N CA -0.986 52.147 53.050 0.139 0.000 0.861 484 N CB 1.025 39.521 38.487 0.016 0.000 1.479 484 N HN 0.629 nan 8.380 nan 0.000 0.547 485 R N -0.658 119.624 120.500 -0.364 0.000 2.115 485 R HA -0.064 4.276 4.340 0.000 0.000 0.230 485 R C 1.433 177.412 176.300 -0.535 0.000 1.111 485 R CA 1.289 57.044 56.100 -0.575 0.000 0.976 485 R CB -0.208 29.720 30.300 -0.621 0.000 0.870 485 R HN 0.610 nan 8.270 nan 0.000 0.445 486 K N 1.287 121.397 120.400 -0.484 0.000 2.002 486 K HA -0.096 4.225 4.320 0.000 0.000 0.209 486 K C 1.821 178.223 176.600 -0.329 0.000 1.048 486 K CA 1.276 57.273 56.287 -0.483 0.000 0.930 486 K CB -0.176 32.164 32.500 -0.266 0.000 0.714 486 K HN 0.069 nan 8.250 nan 0.000 0.438 487 L N 0.589 121.629 121.223 -0.305 0.000 2.141 487 L HA -0.115 4.225 4.340 0.000 0.000 0.209 487 L C 2.605 179.361 176.870 -0.190 0.000 1.094 487 L CA 1.136 55.738 54.840 -0.397 0.000 0.763 487 L CB -0.374 41.204 42.059 -0.802 0.000 0.908 487 L HN 0.413 nan 8.230 nan 0.000 0.437 488 Q N -0.012 119.722 119.800 -0.110 0.000 2.541 488 Q HA -0.182 4.158 4.340 0.000 0.000 0.215 488 Q C 1.801 177.776 176.000 -0.042 0.000 0.977 488 Q CA 0.735 56.529 55.803 -0.017 0.000 0.934 488 Q CB 0.179 28.934 28.738 0.028 0.000 0.988 488 Q HN 0.582 nan 8.270 nan 0.000 0.521 489 Q N -0.269 119.469 119.800 -0.103 0.000 2.398 489 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 489 Q C -0.279 175.701 176.000 -0.034 0.000 0.932 489 Q CA 0.152 55.901 55.803 -0.089 0.000 0.916 489 Q CB 0.455 29.100 28.738 -0.155 0.000 1.024 489 Q HN 0.162 nan 8.270 nan 0.000 0.504 490 D N 1.153 121.553 120.400 -0.001 0.000 2.359 490 D HA 0.065 4.705 4.640 0.000 0.000 0.230 490 D C -1.734 174.633 176.300 0.111 0.000 1.118 490 D CA -2.391 51.640 54.000 0.050 0.000 0.844 490 D CB 1.374 42.204 40.800 0.051 0.000 1.059 490 D HN -0.122 nan 8.370 nan 0.000 0.493 491 P HA -0.108 nan 4.420 nan 0.000 0.221 491 P C 0.864 178.223 177.300 0.099 0.000 1.150 491 P CA 0.684 63.830 63.100 0.077 0.000 0.800 491 P CB 0.591 32.321 31.700 0.049 0.000 0.787 492 E N -0.311 119.956 120.200 0.112 0.000 2.051 492 E HA -0.155 4.196 4.350 0.000 0.000 0.192 492 E C 1.879 178.579 176.600 0.166 0.000 0.991 492 E CA 0.866 57.338 56.400 0.119 0.000 0.799 492 E CB -1.348 28.417 29.700 0.109 0.000 0.748 492 E HN 0.276 nan 8.360 nan 0.000 0.449 493 F N 1.075 121.067 119.950 0.070 0.000 2.161 493 F HA -0.185 4.342 4.527 0.000 0.000 0.300 493 F C 1.984 177.887 175.800 0.171 0.000 1.089 493 F CA 1.204 59.269 58.000 0.108 0.000 1.282 493 F CB -0.051 38.982 39.000 0.055 0.000 1.010 493 F HN -0.053 nan 8.300 nan 0.000 0.485 494 M N 0.315 119.972 119.600 0.095 0.000 2.632 494 M HA -0.109 4.371 4.480 0.000 0.000 0.256 494 M C 1.358 177.753 176.300 0.158 0.000 1.080 494 M CA 1.216 56.532 55.300 0.027 0.000 1.084 494 M CB -0.997 31.632 32.600 0.047 0.000 1.439 494 M HN 0.195 nan 8.290 nan 0.000 0.509 495 K N -1.200 119.263 120.400 0.105 0.000 2.404 495 K HA 0.094 4.414 4.320 0.000 0.000 0.194 495 K C 1.472 178.102 176.600 0.050 0.000 1.023 495 K CA 0.213 56.552 56.287 0.086 0.000 1.094 495 K CB 0.164 32.697 32.500 0.055 0.000 0.841 495 K HN 0.115 nan 8.250 nan 0.000 0.523 496 T N 0.082 114.660 114.554 0.040 0.000 3.085 496 T HA -0.060 4.290 4.350 0.000 0.000 0.263 496 T C -0.159 174.441 174.700 -0.166 0.000 1.127 496 T CA 0.890 62.954 62.100 -0.061 0.000 1.103 496 T CB -0.066 68.715 68.868 -0.144 0.000 0.921 496 T HN 0.220 nan 8.240 nan 0.000 0.510 497 H N 0.088 118.886 119.070 -0.453 0.000 2.954 497 H HA 0.302 4.859 4.556 0.000 0.000 0.361 497 H C 0.587 175.718 175.328 -0.328 0.000 1.122 497 H CA -0.549 55.127 56.048 -0.620 0.000 1.217 497 H CB 1.624 30.595 29.762 -1.317 0.000 1.776 497 H HN -0.125 nan 8.280 nan 0.000 0.533 498 K N 2.687 122.907 120.400 -0.300 0.000 2.144 498 K HA -0.186 4.134 4.320 0.000 0.000 0.209 498 K C 0.905 177.769 176.600 0.440 0.000 1.047 498 K CA 2.070 58.389 56.287 0.053 0.000 0.927 498 K CB 0.068 32.583 32.500 0.024 0.000 0.716 498 K HN 0.430 nan 8.250 nan 0.000 0.454 499 W N -0.454 121.078 121.300 0.386 0.000 2.800 499 W HA 0.042 4.702 4.660 0.000 0.000 0.249 499 W C 1.314 178.113 176.519 0.467 0.000 1.294 499 W CA 0.009 57.641 57.345 0.479 0.000 1.402 499 W CB -0.286 29.398 29.460 0.372 0.000 1.126 499 W HN 0.034 nan 8.180 nan 0.000 0.652 500 F N 0.961 121.153 119.950 0.404 0.000 2.502 500 F HA -0.134 4.394 4.527 0.000 0.000 0.298 500 F C 2.380 178.236 175.800 0.094 0.000 1.111 500 F CA 0.926 59.043 58.000 0.195 0.000 1.445 500 F CB -1.416 37.631 39.000 0.078 0.000 1.081 500 F HN 0.182 nan 8.300 nan 0.000 0.558 501 Q N -1.063 118.834 119.800 0.162 0.000 2.437 501 Q HA -0.185 4.155 4.340 0.000 0.000 0.210 501 Q C 0.793 176.655 176.000 -0.230 0.000 0.972 501 Q CA 1.517 57.253 55.803 -0.112 0.000 0.903 501 Q CB -0.692 27.878 28.738 -0.280 0.000 0.967 501 Q HN 0.454 nan 8.270 nan 0.000 0.486 502 Y N 0.444 120.832 120.300 0.145 0.000 2.457 502 Y HA 0.346 4.896 4.550 0.000 0.000 0.263 502 Y C 0.227 176.174 175.900 0.078 0.000 1.164 502 Y CA -0.471 57.677 58.100 0.080 0.000 1.274 502 Y CB 0.701 39.174 38.460 0.022 0.000 1.097 502 Y HN 0.011 nan 8.280 nan 0.000 0.523 503 L N 1.256 122.602 121.223 0.204 0.000 2.334 503 L HA 0.506 4.846 4.340 0.000 0.000 0.273 503 L C -2.404 174.523 176.870 0.095 0.000 1.013 503 L CA -2.331 52.595 54.840 0.143 0.000 0.816 503 L CB 1.332 43.471 42.059 0.133 0.000 1.278 503 L HN -0.164 nan 8.230 nan 0.000 0.431 504 P HA 0.169 nan 4.420 nan 0.000 0.277 504 P C -0.848 176.479 177.300 0.045 0.000 1.240 504 P CA -0.458 62.677 63.100 0.058 0.000 0.798 504 P CB 0.826 32.560 31.700 0.056 0.000 0.979 505 V N 3.403 123.337 119.914 0.034 0.000 2.408 505 V HA 0.094 4.215 4.120 0.000 0.000 0.267 505 V C 0.732 176.833 176.094 0.011 0.000 1.047 505 V CA -0.331 61.983 62.300 0.023 0.000 0.937 505 V CB -0.156 31.682 31.823 0.025 0.000 0.999 505 V HN 0.382 nan 8.190 nan 0.000 0.472 506 L N 8.136 129.356 121.223 -0.004 0.000 2.456 506 L HA 0.264 4.605 4.340 0.000 0.000 0.272 506 L C -1.690 175.160 176.870 -0.034 0.000 1.189 506 L CA -1.472 53.355 54.840 -0.022 0.000 0.846 506 L CB 0.679 42.703 42.059 -0.058 0.000 1.111 506 L HN 0.435 nan 8.230 nan 0.000 0.475 507 P HA -0.024 nan 4.420 nan 0.000 0.268 507 P C -0.714 176.562 177.300 -0.041 0.000 1.204 507 P CA -0.211 62.876 63.100 -0.022 0.000 0.768 507 P CB 0.515 32.209 31.700 -0.009 0.000 0.842 508 K N 2.205 122.584 120.400 -0.034 0.000 2.466 508 K HA 0.312 4.632 4.320 0.000 0.000 0.278 508 K C -0.443 176.141 176.600 -0.027 0.000 1.048 508 K CA 0.133 56.395 56.287 -0.041 0.000 1.088 508 K CB -0.169 32.315 32.500 -0.026 0.000 0.884 508 K HN 0.614 nan 8.250 nan 0.000 0.478 509 A N 4.302 127.104 122.820 -0.030 0.000 2.594 509 A HA 0.321 4.641 4.320 0.000 0.000 0.295 509 A C -1.439 176.194 177.584 0.081 0.000 1.071 509 A CA -0.976 51.074 52.037 0.021 0.000 0.685 509 A CB 1.236 20.259 19.000 0.040 0.000 1.285 509 A HN 0.718 nan 8.150 nan 0.000 0.405 510 D N 0.775 121.228 120.400 0.087 0.000 2.313 510 D HA 0.255 4.895 4.640 0.000 0.000 0.247 510 D C 0.071 176.465 176.300 0.157 0.000 1.094 510 D CA 0.228 54.293 54.000 0.108 0.000 0.925 510 D CB 1.125 41.941 40.800 0.025 0.000 1.188 510 D HN 0.596 nan 8.370 nan 0.000 0.430 511 Q N 1.143 120.996 119.800 0.089 0.000 2.289 511 Q HA 0.077 4.417 4.340 0.000 0.000 0.273 511 Q C 0.372 176.248 176.000 -0.206 0.000 1.029 511 Q CA -0.199 55.460 55.803 -0.240 0.000 0.896 511 Q CB 0.876 29.437 28.738 -0.294 0.000 1.182 511 Q HN 0.235 nan 8.270 nan 0.000 0.385 512 V N 4.360 124.123 119.914 -0.251 0.000 2.575 512 V HA 0.019 4.139 4.120 0.000 0.000 0.242 512 V C -0.141 175.701 176.094 -0.419 0.000 1.045 512 V CA 0.627 62.746 62.300 -0.302 0.000 1.065 512 V CB 0.042 31.710 31.823 -0.258 0.000 0.717 512 V HN 0.694 nan 8.190 nan 0.000 0.467 513 W N 0.098 121.284 121.300 -0.189 0.000 2.587 513 W HA 0.537 5.197 4.660 0.000 0.000 0.324 513 W C -0.867 175.555 176.519 -0.161 0.000 1.040 513 W CA -0.459 56.803 57.345 -0.138 0.000 1.222 513 W CB 1.278 30.667 29.460 -0.118 0.000 1.381 513 W HN -0.072 nan 8.180 nan 0.000 0.483 514 D N 2.443 122.935 120.400 0.154 0.000 2.464 514 D HA 0.432 5.072 4.640 0.000 0.000 0.243 514 D C 0.890 177.273 176.300 0.137 0.000 1.104 514 D CA 0.732 54.779 54.000 0.077 0.000 0.883 514 D CB 0.384 41.199 40.800 0.025 0.000 1.050 514 D HN 0.577 nan 8.370 nan 0.000 0.524 515 G N 3.918 112.790 108.800 0.119 0.000 2.675 515 G HA2 -0.389 3.571 3.960 0.000 0.000 0.312 515 G HA3 -0.389 3.571 3.960 0.000 0.000 0.312 515 G C 0.832 175.845 174.900 0.189 0.000 1.186 515 G CA 0.538 45.720 45.100 0.136 0.000 0.965 515 G HN 0.534 nan 8.290 nan 0.000 0.548 516 Q N 0.493 120.425 119.800 0.220 0.000 2.282 516 Q HA 0.253 4.593 4.340 0.000 0.000 0.206 516 Q C 0.786 177.018 176.000 0.386 0.000 0.878 516 Q CA 0.081 56.047 55.803 0.271 0.000 0.944 516 Q CB 0.520 29.388 28.738 0.216 0.000 1.100 516 Q HN 0.437 nan 8.270 nan 0.000 0.509 517 K N 1.210 121.799 120.400 0.315 0.000 2.183 517 K HA 0.246 4.567 4.320 0.000 0.000 0.274 517 K C -0.537 176.126 176.600 0.104 0.000 1.009 517 K CA -0.376 56.027 56.287 0.193 0.000 0.888 517 K CB 1.026 33.584 32.500 0.096 0.000 1.078 517 K HN -0.079 nan 8.250 nan 0.000 0.459 518 R N 4.169 124.578 120.500 -0.152 0.000 2.390 518 R HA 0.163 4.503 4.340 0.000 0.000 0.291 518 R C 0.310 176.424 176.300 -0.310 0.000 1.070 518 R CA -0.013 55.753 56.100 -0.556 0.000 1.014 518 R CB 0.480 30.363 30.300 -0.694 0.000 1.007 518 R HN 0.692 nan 8.270 nan 0.000 0.466 519 L N 4.122 125.147 121.223 -0.329 0.000 2.467 519 L HA 0.195 4.535 4.340 0.000 0.000 0.213 519 L C 0.478 177.237 176.870 -0.185 0.000 1.053 519 L CA -0.015 54.707 54.840 -0.197 0.000 0.847 519 L CB 0.468 42.437 42.059 -0.151 0.000 1.075 519 L HN 0.442 nan 8.230 nan 0.000 0.479 520 V N -3.210 116.563 119.914 -0.235 0.000 2.850 520 V HA 0.534 4.654 4.120 0.000 0.000 0.315 520 V C 0.143 176.118 176.094 -0.197 0.000 1.064 520 V CA -0.663 61.530 62.300 -0.178 0.000 0.979 520 V CB 1.939 33.677 31.823 -0.143 0.000 1.039 520 V HN 0.036 nan 8.190 nan 0.000 0.452 521 S N 1.528 117.146 115.700 -0.137 0.000 2.614 521 S HA 0.790 5.260 4.470 0.000 0.000 0.265 521 S C 0.202 174.734 174.600 -0.113 0.000 1.303 521 S CA 0.171 58.298 58.200 -0.122 0.000 1.000 521 S CB 0.971 64.120 63.200 -0.084 0.000 0.935 521 S HN 1.650 nan 8.310 nan 0.000 0.551 522 A N 0.000 122.762 122.820 -0.097 0.000 2.254 522 A HA 0.000 4.320 4.320 0.000 0.000 0.244 522 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 522 A CB 0.000 18.961 19.000 -0.064 0.000 0.831 522 A HN 0.000 nan 8.150 nan 0.000 0.486