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 3fz6_1_E DATA FIRST_RESID 3 DATA SEQUENCE KKQVTDLRSE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DATA SEQUENCE DGNARQNLAT FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN DATA SEQUENCE MVADLWHAPA PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DATA SEQUENCE DKPNLVCGPV QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT DATA SEQUENCE IGVVPTFGVT YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP DATA SEQUENCE FVAPDIVWDF RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN DATA SEQUENCE VDYLGGQIGT FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY DATA SEQUENCE LADEIAKLGP YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR DATA SEQUENCE GWQVPAFTLG GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP DATA SEQUENCE KLQGIAQQNS FKHT 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.600 176.600 -0.000 0.000 0.988 3 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 3 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 4 K N 1.218 121.618 120.400 -0.000 0.000 2.668 4 K HA 0.153 4.457 4.320 -0.027 0.000 0.204 4 K C -0.305 176.296 176.600 0.001 0.000 1.016 4 K CA 0.256 56.543 56.287 0.000 0.000 1.131 4 K CB 0.142 32.642 32.500 -0.000 0.000 0.891 4 K HN 0.132 nan 8.250 nan 0.000 0.499 5 Q N 1.497 121.297 119.800 0.001 0.000 2.674 5 Q HA 0.075 4.398 4.340 -0.027 0.000 0.249 5 Q C -0.799 175.202 176.000 0.002 0.000 1.011 5 Q CA -0.433 55.371 55.803 0.001 0.000 0.734 5 Q CB 1.194 29.933 28.738 0.001 0.000 1.201 5 Q HN 0.172 nan 8.270 nan 0.000 0.498 6 V N 1.337 121.252 119.914 0.002 0.000 2.901 6 V HA 0.034 4.137 4.120 -0.027 0.000 0.307 6 V C 1.295 177.390 176.094 0.002 0.000 1.084 6 V CA 0.488 62.789 62.300 0.002 0.000 1.184 6 V CB 0.486 32.310 31.823 0.002 0.000 0.941 6 V HN 0.658 nan 8.190 nan 0.000 0.493 7 T N 2.892 117.447 114.554 0.002 0.000 2.699 7 T HA -0.182 4.151 4.350 -0.027 0.000 0.268 7 T C 1.272 175.974 174.700 0.003 0.000 1.036 7 T CA 2.284 64.385 62.100 0.002 0.000 1.147 7 T CB -0.485 68.383 68.868 0.001 0.000 0.862 7 T HN 1.093 nan 8.240 nan 0.000 0.446 8 D N 0.287 120.689 120.400 0.003 0.000 2.349 8 D HA 0.014 4.637 4.640 -0.027 0.000 0.224 8 D C 1.257 177.560 176.300 0.006 0.000 1.029 8 D CA 0.195 54.197 54.000 0.004 0.000 0.879 8 D CB -0.159 40.643 40.800 0.004 0.000 0.906 8 D HN 0.280 nan 8.370 nan 0.000 0.528 9 L N 0.241 121.467 121.223 0.006 0.000 2.693 9 L HA 0.186 4.510 4.340 -0.027 0.000 0.235 9 L C 0.544 177.419 176.870 0.008 0.000 1.127 9 L CA -0.091 54.753 54.840 0.007 0.000 0.914 9 L CB 0.119 42.181 42.059 0.006 0.000 1.193 9 L HN -0.149 nan 8.230 nan 0.000 0.502 10 R N -0.804 119.700 120.500 0.007 0.000 2.340 10 R HA 0.192 4.515 4.340 -0.027 0.000 0.300 10 R C 1.108 177.414 176.300 0.010 0.000 1.069 10 R CA 0.032 56.136 56.100 0.007 0.000 0.984 10 R CB 1.175 31.479 30.300 0.006 0.000 1.003 10 R HN -0.090 nan 8.270 nan 0.000 0.459 11 S N 1.885 117.592 115.700 0.012 0.000 2.456 11 S HA 0.011 4.465 4.470 -0.027 0.000 0.224 11 S C 0.069 174.678 174.600 0.015 0.000 1.035 11 S CA 0.654 58.864 58.200 0.017 0.000 0.940 11 S CB 0.449 63.662 63.200 0.022 0.000 0.799 11 S HN 0.615 nan 8.310 nan 0.000 0.508 12 E N -0.051 120.156 120.200 0.012 0.000 2.312 12 E HA 0.614 4.947 4.350 -0.027 0.000 0.267 12 E C -1.530 175.079 176.600 0.014 0.000 0.894 12 E CA -0.562 55.847 56.400 0.014 0.000 0.773 12 E CB 2.195 31.902 29.700 0.012 0.000 1.241 12 E HN 0.172 nan 8.360 nan 0.000 0.432 13 L N 1.518 122.753 121.223 0.020 0.000 2.309 13 L HA 0.477 4.801 4.340 -0.027 0.000 0.261 13 L C -0.652 176.235 176.870 0.027 0.000 1.021 13 L CA -1.005 53.846 54.840 0.018 0.000 0.823 13 L CB 1.361 43.427 42.059 0.012 0.000 1.366 13 L HN 0.334 nan 8.230 nan 0.000 0.423 14 L N 1.385 122.620 121.223 0.020 0.000 2.456 14 L HA 0.109 4.432 4.340 -0.027 0.000 0.272 14 L C -0.209 176.674 176.870 0.022 0.000 1.189 14 L CA 0.511 55.365 54.840 0.024 0.000 0.846 14 L CB 0.234 42.300 42.059 0.011 0.000 1.111 14 L HN 0.531 nan 8.230 nan 0.000 0.475 15 D N 0.899 121.320 120.400 0.035 0.000 2.502 15 D HA 0.113 4.736 4.640 -0.027 0.000 0.249 15 D C 0.686 176.940 176.300 -0.075 0.000 1.092 15 D CA -0.255 53.743 54.000 -0.002 0.000 0.839 15 D CB 1.899 42.763 40.800 0.107 0.000 1.264 15 D HN 0.578 nan 8.370 nan 0.000 0.511 16 S N 3.485 119.112 115.700 -0.122 0.000 2.515 16 S HA -0.078 4.375 4.470 -0.027 0.000 0.231 16 S C 1.543 176.013 174.600 -0.217 0.000 0.987 16 S CA 0.416 58.536 58.200 -0.133 0.000 0.936 16 S CB 0.136 63.271 63.200 -0.110 0.000 0.766 16 S HN 0.466 nan 8.310 nan 0.000 0.528 17 R N 0.053 120.308 120.500 -0.409 0.000 2.057 17 R HA 0.159 4.482 4.340 -0.027 0.000 0.229 17 R C 0.902 176.847 176.300 -0.592 0.000 1.136 17 R CA 1.490 57.191 56.100 -0.665 0.000 0.952 17 R CB -0.311 29.257 30.300 -1.219 0.000 0.848 17 R HN 0.514 nan 8.270 nan 0.000 0.430 18 F N -0.192 119.753 119.950 -0.008 0.000 2.693 18 F HA 0.345 4.854 4.527 -0.031 0.000 0.303 18 F C 1.358 177.156 175.800 -0.005 0.000 1.097 18 F CA -0.139 57.859 58.000 -0.003 0.000 1.330 18 F CB -0.062 38.937 39.000 -0.001 0.000 1.067 18 F HN 0.138 nan 8.300 nan 0.000 0.565 19 G N 1.008 109.846 108.800 0.062 0.000 2.380 19 G HA2 -0.072 3.871 3.960 -0.027 0.000 0.298 19 G HA3 -0.072 3.871 3.960 -0.027 0.000 0.298 19 G C 0.312 175.255 174.900 0.072 0.000 0.989 19 G CA 0.543 45.671 45.100 0.046 0.000 0.836 19 G HN 0.784 nan 8.290 nan 0.000 0.511 20 A N -1.340 121.549 122.820 0.115 0.000 2.524 20 A HA 0.818 5.122 4.320 -0.027 0.000 0.289 20 A C -0.012 177.627 177.584 0.092 0.000 1.248 20 A CA -0.696 51.396 52.037 0.091 0.000 0.712 20 A CB 0.960 20.010 19.000 0.084 0.000 1.312 20 A HN 0.189 nan 8.150 nan 0.000 0.441 21 K N 1.083 121.517 120.400 0.057 0.000 2.322 21 K HA 0.439 4.742 4.320 -0.027 0.000 0.283 21 K C 0.083 176.716 176.600 0.054 0.000 1.042 21 K CA 0.324 56.638 56.287 0.045 0.000 0.958 21 K CB 0.966 33.478 32.500 0.020 0.000 0.984 21 K HN 0.824 nan 8.250 nan 0.000 0.473 22 S N 2.409 118.149 115.700 0.066 0.000 2.740 22 S HA 0.566 5.020 4.470 -0.027 0.000 0.300 22 S C -0.361 174.264 174.600 0.042 0.000 1.147 22 S CA -0.905 57.335 58.200 0.067 0.000 0.871 22 S CB 0.787 64.082 63.200 0.160 0.000 1.173 22 S HN 0.321 nan 8.310 nan 0.000 0.510 23 I N 2.011 122.600 120.570 0.033 0.000 2.499 23 I HA 0.429 4.582 4.170 -0.027 0.000 0.296 23 I C 0.509 176.642 176.117 0.027 0.000 0.992 23 I CA 0.110 61.423 61.300 0.021 0.000 1.297 23 I CB 1.760 39.763 38.000 0.004 0.000 1.410 23 I HN 0.734 nan 8.210 nan 0.000 0.507 24 S N 2.783 118.493 115.700 0.016 0.000 2.430 24 S HA 0.148 4.602 4.470 -0.027 0.000 0.289 24 S C 1.352 175.952 174.600 -0.000 0.000 1.143 24 S CA -0.133 58.074 58.200 0.011 0.000 1.067 24 S CB 0.367 63.571 63.200 0.006 0.000 0.964 24 S HN 0.829 nan 8.310 nan 0.000 0.485 25 T N 3.556 118.108 114.554 -0.003 0.000 2.897 25 T HA -0.087 4.247 4.350 -0.027 0.000 0.271 25 T C 1.591 176.279 174.700 -0.021 0.000 1.084 25 T CA 1.196 63.285 62.100 -0.018 0.000 1.123 25 T CB -0.457 68.398 68.868 -0.022 0.000 0.865 25 T HN 0.689 nan 8.240 nan 0.000 0.496 26 I N 0.943 121.505 120.570 -0.014 0.000 2.584 26 I HA 0.132 4.286 4.170 -0.027 0.000 0.255 26 I C 3.086 179.196 176.117 -0.012 0.000 1.145 26 I CA 0.677 61.968 61.300 -0.014 0.000 1.462 26 I CB -0.417 37.576 38.000 -0.012 0.000 1.102 26 I HN 0.321 nan 8.210 nan 0.000 0.433 27 A N 0.313 123.128 122.820 -0.008 0.000 1.873 27 A HA -0.145 4.158 4.320 -0.027 0.000 0.215 27 A C 1.957 179.537 177.584 -0.007 0.000 1.186 27 A CA 1.380 53.414 52.037 -0.005 0.000 0.616 27 A CB -0.299 18.701 19.000 0.000 0.000 0.823 27 A HN 0.280 nan 8.150 nan 0.000 0.442 28 E N 0.542 120.734 120.200 -0.012 0.000 2.403 28 E HA 0.018 4.352 4.350 -0.027 0.000 0.187 28 E C 1.334 177.913 176.600 -0.034 0.000 1.073 28 E CA 0.658 57.047 56.400 -0.019 0.000 0.888 28 E CB -0.081 29.605 29.700 -0.022 0.000 1.035 28 E HN 0.723 nan 8.360 nan 0.000 0.471 29 S N -0.727 114.956 115.700 -0.028 0.000 2.548 29 S HA 0.111 4.565 4.470 -0.027 0.000 0.215 29 S C 1.604 176.190 174.600 -0.024 0.000 0.976 29 S CA 0.024 58.203 58.200 -0.035 0.000 0.908 29 S CB 0.302 63.485 63.200 -0.029 0.000 0.781 29 S HN -0.100 nan 8.310 nan 0.000 0.519 30 K N 1.287 121.680 120.400 -0.012 0.000 2.354 30 K HA 0.298 4.602 4.320 -0.027 0.000 0.194 30 K C 0.360 176.968 176.600 0.014 0.000 1.038 30 K CA 0.030 56.317 56.287 -0.000 0.000 1.052 30 K CB 0.525 33.025 32.500 0.001 0.000 0.861 30 K HN 0.673 nan 8.250 nan 0.000 0.535 31 R N -1.717 118.792 120.500 0.015 0.000 2.795 31 R HA 0.377 4.700 4.340 -0.027 0.000 0.275 31 R C -0.985 175.349 176.300 0.057 0.000 0.981 31 R CA -0.804 55.325 56.100 0.048 0.000 0.917 31 R CB 0.237 30.562 30.300 0.040 0.000 1.202 31 R HN -0.208 nan 8.270 nan 0.000 0.469 32 F N 3.130 123.065 119.950 -0.026 0.000 2.602 32 F HA 0.189 4.700 4.527 -0.027 0.000 0.385 32 F C -1.640 174.138 175.800 -0.038 0.000 1.063 32 F CA -1.117 56.865 58.000 -0.029 0.000 1.233 32 F CB 0.453 39.434 39.000 -0.031 0.000 1.067 32 F HN 0.482 nan 8.300 nan 0.000 0.564 33 P HA -0.041 nan 4.420 nan 0.000 0.266 33 P C 0.710 178.007 177.300 -0.005 0.000 1.193 33 P CA 0.183 63.205 63.100 -0.130 0.000 0.770 33 P CB 0.644 32.219 31.700 -0.208 0.000 0.836 34 L N 0.794 121.969 121.223 -0.081 0.000 2.209 34 L HA 0.005 4.328 4.340 -0.027 0.000 0.207 34 L C 1.027 177.671 176.870 -0.377 0.000 1.094 34 L CA 1.048 55.731 54.840 -0.262 0.000 0.790 34 L CB -0.334 41.433 42.059 -0.487 0.000 0.932 34 L HN 0.490 nan 8.230 nan 0.000 0.447 35 H N -0.552 118.534 119.070 0.026 0.000 2.771 35 H HA 0.372 4.911 4.556 -0.028 0.000 0.367 35 H C -0.527 174.801 175.328 0.001 0.000 1.172 35 H CA -0.812 55.245 56.048 0.013 0.000 1.186 35 H CB 1.215 30.978 29.762 0.002 0.000 1.790 35 H HN 0.013 nan 8.280 nan 0.000 0.556 36 E N 0.977 121.263 120.200 0.143 0.000 2.392 36 E HA 0.288 4.621 4.350 -0.027 0.000 0.256 36 E C -0.091 176.529 176.600 0.033 0.000 1.145 36 E CA -0.206 56.232 56.400 0.063 0.000 0.929 36 E CB 1.411 31.139 29.700 0.047 0.000 0.998 36 E HN 0.331 nan 8.360 nan 0.000 0.442 37 M N 0.633 120.231 119.600 -0.003 0.000 2.520 37 M HA 0.339 4.803 4.480 -0.027 0.000 0.283 37 M C -1.314 174.958 176.300 -0.047 0.000 1.237 37 M CA -0.618 54.658 55.300 -0.040 0.000 0.885 37 M CB 1.980 34.547 32.600 -0.055 0.000 1.727 37 M HN 0.319 nan 8.290 nan 0.000 0.468 38 R N 2.033 122.490 120.500 -0.072 0.000 2.570 38 R HA 0.024 4.347 4.340 -0.027 0.000 0.277 38 R C 0.226 176.498 176.300 -0.047 0.000 1.039 38 R CA -0.118 55.947 56.100 -0.058 0.000 1.065 38 R CB 0.283 30.541 30.300 -0.070 0.000 0.964 38 R HN 0.650 nan 8.270 nan 0.000 0.428 39 D N 1.948 122.337 120.400 -0.019 0.000 2.133 39 D HA -0.201 4.423 4.640 -0.027 0.000 0.192 39 D C 0.901 177.226 176.300 0.041 0.000 1.001 39 D CA 1.636 55.640 54.000 0.008 0.000 0.844 39 D CB -0.002 40.801 40.800 0.005 0.000 0.944 39 D HN 0.528 nan 8.370 nan 0.000 0.447 40 D N -0.480 119.937 120.400 0.028 0.000 2.269 40 D HA -0.055 4.568 4.640 -0.027 0.000 0.208 40 D C 2.183 178.536 176.300 0.088 0.000 0.963 40 D CA 0.139 54.191 54.000 0.086 0.000 0.864 40 D CB 0.024 40.853 40.800 0.049 0.000 0.936 40 D HN 0.097 nan 8.370 nan 0.000 0.505 41 V N 1.105 120.971 119.914 -0.081 0.000 2.283 41 V HA -0.167 3.937 4.120 -0.027 0.000 0.243 41 V C 2.525 178.525 176.094 -0.157 0.000 1.039 41 V CA 1.591 63.701 62.300 -0.316 0.000 1.016 41 V CB -0.797 30.674 31.823 -0.587 0.000 0.650 41 V HN 0.168 nan 8.190 nan 0.000 0.449 42 A N -0.040 122.730 122.820 -0.082 0.000 1.903 42 A HA -0.322 3.982 4.320 -0.027 0.000 0.219 42 A C 2.133 179.734 177.584 0.028 0.000 1.191 42 A CA 2.484 54.506 52.037 -0.024 0.000 0.638 42 A CB -0.902 18.095 19.000 -0.004 0.000 0.823 42 A HN 0.536 nan 8.150 nan 0.000 0.451 43 F N 0.451 120.390 119.950 -0.018 0.000 2.065 43 F HA -0.272 4.239 4.527 -0.027 0.000 0.298 43 F C 2.511 178.343 175.800 0.054 0.000 1.112 43 F CA 2.515 60.522 58.000 0.012 0.000 1.212 43 F CB -0.634 38.373 39.000 0.011 0.000 0.975 43 F HN 0.337 nan 8.300 nan 0.000 0.476 44 Q N 0.172 119.984 119.800 0.019 0.000 2.084 44 Q HA -0.182 4.142 4.340 -0.027 0.000 0.202 44 Q C 2.349 178.359 176.000 0.016 0.000 0.978 44 Q CA 2.171 57.988 55.803 0.024 0.000 0.844 44 Q CB -0.286 28.655 28.738 0.339 0.000 0.898 44 Q HN 0.540 nan 8.270 nan 0.000 0.426 45 I N 0.213 120.835 120.570 0.087 0.000 2.151 45 I HA -0.337 3.817 4.170 -0.027 0.000 0.243 45 I C 2.058 178.154 176.117 -0.035 0.000 1.080 45 I CA 1.315 62.662 61.300 0.079 0.000 1.339 45 I CB -0.214 37.822 38.000 0.060 0.000 1.039 45 I HN 0.243 nan 8.210 nan 0.000 0.409 46 I N 0.338 120.835 120.570 -0.122 0.000 2.202 46 I HA -0.286 3.868 4.170 -0.027 0.000 0.242 46 I C 2.311 178.303 176.117 -0.208 0.000 1.091 46 I CA 1.490 62.699 61.300 -0.153 0.000 1.368 46 I CB -0.501 37.402 38.000 -0.163 0.000 1.058 46 I HN 0.300 nan 8.210 nan 0.000 0.410 47 N N 1.147 119.608 118.700 -0.399 0.000 2.104 47 N HA -0.239 4.484 4.740 -0.027 0.000 0.190 47 N C 1.493 176.976 175.510 -0.045 0.000 1.024 47 N CA 1.762 54.586 53.050 -0.378 0.000 0.853 47 N CB -0.063 38.007 38.487 -0.695 0.000 1.008 47 N HN 0.173 nan 8.380 nan 0.000 0.424 48 D N 0.118 120.535 120.400 0.029 0.000 2.144 48 D HA -0.108 4.515 4.640 -0.027 0.000 0.200 48 D C 1.639 178.035 176.300 0.159 0.000 0.978 48 D CA 0.891 54.987 54.000 0.161 0.000 0.833 48 D CB -0.196 40.614 40.800 0.017 0.000 0.961 48 D HN 0.530 nan 8.370 nan 0.000 0.470 49 E N 0.288 120.512 120.200 0.041 0.000 2.106 49 E HA -0.070 4.264 4.350 -0.027 0.000 0.192 49 E C 2.274 178.889 176.600 0.026 0.000 0.984 49 E CA 0.257 56.670 56.400 0.023 0.000 0.806 49 E CB -0.103 29.588 29.700 -0.015 0.000 0.750 49 E HN 0.290 nan 8.360 nan 0.000 0.458 50 L N 0.424 121.634 121.223 -0.021 0.000 2.349 50 L HA -0.197 4.126 4.340 -0.027 0.000 0.220 50 L C 1.911 178.726 176.870 -0.091 0.000 1.130 50 L CA 0.891 55.681 54.840 -0.083 0.000 0.791 50 L CB -0.473 41.493 42.059 -0.155 0.000 0.918 50 L HN 0.184 nan 8.230 nan 0.000 0.444 51 Y N -0.233 120.028 120.300 -0.065 0.000 2.403 51 Y HA -0.169 4.362 4.550 -0.031 0.000 0.291 51 Y C 2.185 178.055 175.900 -0.050 0.000 1.143 51 Y CA 0.809 58.876 58.100 -0.055 0.000 1.257 51 Y CB -0.227 38.201 38.460 -0.054 0.000 0.984 51 Y HN 0.153 nan 8.280 nan 0.000 0.550 52 L N -0.575 120.701 121.223 0.088 0.000 2.552 52 L HA -0.046 4.278 4.340 -0.027 0.000 0.227 52 L C 0.078 176.946 176.870 -0.003 0.000 1.146 52 L CA 0.124 54.984 54.840 0.032 0.000 0.858 52 L CB -0.417 41.649 42.059 0.012 0.000 0.969 52 L HN 0.036 nan 8.230 nan 0.000 0.451 53 D N 0.771 121.157 120.400 -0.023 0.000 2.362 53 D HA 0.260 4.883 4.640 -0.027 0.000 0.242 53 D C 0.563 176.839 176.300 -0.040 0.000 1.132 53 D CA 0.225 54.199 54.000 -0.044 0.000 0.907 53 D CB 1.299 42.058 40.800 -0.067 0.000 1.195 53 D HN 0.047 nan 8.370 nan 0.000 0.429 54 G N 0.165 108.940 108.800 -0.042 0.000 2.599 54 G HA2 0.132 4.076 3.960 -0.027 0.000 0.264 54 G HA3 0.132 4.076 3.960 -0.027 0.000 0.264 54 G C 0.788 175.659 174.900 -0.050 0.000 1.200 54 G CA -0.474 44.602 45.100 -0.041 0.000 0.896 54 G HN 0.550 nan 8.290 nan 0.000 0.536 55 N N -1.240 117.431 118.700 -0.049 0.000 2.236 55 N HA 0.270 4.993 4.740 -0.027 0.000 0.196 55 N C 1.298 176.783 175.510 -0.040 0.000 1.114 55 N CA 0.952 53.973 53.050 -0.050 0.000 0.859 55 N CB 0.520 38.977 38.487 -0.050 0.000 0.982 55 N HN 1.237 nan 8.380 nan 0.000 0.493 56 A N -0.358 122.439 122.820 -0.038 0.000 3.396 56 A HA -0.292 4.012 4.320 -0.027 0.000 0.267 56 A C 1.643 179.209 177.584 -0.030 0.000 1.139 56 A CA 1.282 53.304 52.037 -0.026 0.000 1.115 56 A CB -1.873 17.118 19.000 -0.016 0.000 1.133 56 A HN 0.281 nan 8.150 nan 0.000 0.920 57 R N -0.274 120.199 120.500 -0.045 0.000 2.148 57 R HA -0.066 4.257 4.340 -0.027 0.000 0.227 57 R C 1.628 177.893 176.300 -0.059 0.000 1.103 57 R CA 1.739 57.806 56.100 -0.056 0.000 0.983 57 R CB -0.355 29.901 30.300 -0.073 0.000 0.874 57 R HN 0.890 nan 8.270 nan 0.000 0.451 58 Q N 0.320 120.056 119.800 -0.107 0.000 2.220 58 Q HA 0.090 4.413 4.340 -0.027 0.000 0.205 58 Q C -0.054 175.997 176.000 0.086 0.000 0.865 58 Q CA -0.311 55.423 55.803 -0.115 0.000 0.960 58 Q CB 0.335 28.744 28.738 -0.548 0.000 1.097 58 Q HN 0.095 nan 8.270 nan 0.000 0.493 59 N N 1.416 120.129 118.700 0.022 0.000 2.415 59 N HA 0.071 4.794 4.740 -0.027 0.000 0.246 59 N C -0.154 175.344 175.510 -0.021 0.000 1.078 59 N CA 0.092 53.162 53.050 0.035 0.000 0.942 59 N CB 0.665 39.166 38.487 0.023 0.000 1.140 59 N HN 0.246 nan 8.380 nan 0.000 0.501 60 L N 2.699 123.908 121.223 -0.023 0.000 2.728 60 L HA 0.272 4.596 4.340 -0.027 0.000 0.235 60 L C 1.580 178.391 176.870 -0.099 0.000 1.197 60 L CA -0.168 54.581 54.840 -0.153 0.000 0.992 60 L CB 0.082 42.003 42.059 -0.231 0.000 1.263 60 L HN 0.491 nan 8.230 nan 0.000 0.484 61 A N -0.997 121.809 122.820 -0.024 0.000 1.993 61 A HA 0.091 4.394 4.320 -0.027 0.000 0.207 61 A C 1.272 178.870 177.584 0.022 0.000 1.224 61 A CA 0.452 52.498 52.037 0.014 0.000 0.749 61 A CB 0.159 19.215 19.000 0.094 0.000 0.884 61 A HN 0.258 nan 8.150 nan 0.000 0.467 62 T N -1.946 112.646 114.554 0.062 0.000 2.899 62 T HA 0.444 4.778 4.350 -0.027 0.000 0.284 62 T C 0.349 175.090 174.700 0.069 0.000 1.004 62 T CA -0.330 61.874 62.100 0.173 0.000 1.043 62 T CB 0.194 69.162 68.868 0.166 0.000 1.013 62 T HN 0.153 nan 8.240 nan 0.000 0.518 63 F N 1.034 120.965 119.950 -0.032 0.000 2.530 63 F HA 0.285 4.795 4.527 -0.028 0.000 0.292 63 F C 1.746 177.464 175.800 -0.138 0.000 1.109 63 F CA -0.567 57.392 58.000 -0.070 0.000 1.450 63 F CB -0.292 38.710 39.000 0.004 0.000 1.114 63 F HN 0.435 nan 8.300 nan 0.000 0.560 64 C N 1.906 121.280 119.300 0.124 0.000 2.605 64 C HA 0.200 4.643 4.460 -0.027 0.000 0.404 64 C C 0.684 175.666 174.990 -0.013 0.000 1.284 64 C CA -1.278 57.767 59.018 0.046 0.000 2.199 64 C CB -0.039 27.692 27.740 -0.015 0.000 2.647 64 C HN 0.211 nan 8.230 nan 0.000 0.604 65 Q N 1.668 121.465 119.800 -0.004 0.000 2.269 65 Q HA 0.053 4.377 4.340 -0.027 0.000 0.300 65 Q C 1.120 177.133 176.000 0.023 0.000 1.070 65 Q CA 0.884 56.694 55.803 0.012 0.000 0.957 65 Q CB 0.399 29.165 28.738 0.047 0.000 1.131 65 Q HN 1.005 nan 8.270 nan 0.000 0.377 66 T N -1.906 112.682 114.554 0.057 0.000 3.111 66 T HA 0.167 4.500 4.350 -0.027 0.000 0.284 66 T C -0.189 174.588 174.700 0.129 0.000 0.983 66 T CA -0.577 61.558 62.100 0.058 0.000 0.900 66 T CB 0.036 68.921 68.868 0.028 0.000 1.132 66 T HN 0.456 nan 8.240 nan 0.000 0.531 67 W N 2.821 124.108 121.300 -0.023 0.000 2.438 67 W HA 0.552 5.205 4.660 -0.013 0.000 0.324 67 W C -1.231 175.307 176.519 0.033 0.000 1.119 67 W CA -0.897 56.444 57.345 -0.006 0.000 1.221 67 W CB 0.988 30.442 29.460 -0.010 0.000 1.253 67 W HN 0.039 nan 8.180 nan 0.000 0.555 68 D N 4.264 124.262 120.400 -0.670 0.000 2.232 68 D HA 0.061 4.685 4.640 -0.027 0.000 0.242 68 D C -1.123 174.585 176.300 -0.985 0.000 1.093 68 D CA -0.056 53.623 54.000 -0.535 0.000 0.845 68 D CB 1.720 42.332 40.800 -0.314 0.000 1.124 68 D HN 0.269 nan 8.370 nan 0.000 0.467 69 D N 1.573 121.714 120.400 -0.432 0.000 2.505 69 D HA 0.032 4.656 4.640 -0.027 0.000 0.249 69 D C 0.623 176.870 176.300 -0.088 0.000 1.082 69 D CA -0.458 53.376 54.000 -0.277 0.000 0.839 69 D CB 1.920 42.748 40.800 0.047 0.000 1.317 69 D HN 0.286 nan 8.370 nan 0.000 0.497 70 E N 2.519 122.634 120.200 -0.142 0.000 2.110 70 E HA -0.180 4.154 4.350 -0.027 0.000 0.193 70 E C 0.883 177.439 176.600 -0.073 0.000 0.988 70 E CA 0.728 57.052 56.400 -0.126 0.000 0.804 70 E CB 0.308 29.929 29.700 -0.132 0.000 0.745 70 E HN 0.415 nan 8.360 nan 0.000 0.458 71 N N 0.162 118.796 118.700 -0.110 0.000 2.166 71 N HA -0.134 4.589 4.740 -0.027 0.000 0.186 71 N C 1.892 177.192 175.510 -0.351 0.000 1.019 71 N CA 0.841 53.741 53.050 -0.251 0.000 0.856 71 N CB -0.285 37.991 38.487 -0.351 0.000 0.993 71 N HN 0.050 nan 8.380 nan 0.000 0.426 72 V N 1.493 121.249 119.914 -0.264 0.000 2.307 72 V HA -0.206 3.898 4.120 -0.027 0.000 0.245 72 V C 2.083 178.102 176.094 -0.126 0.000 1.045 72 V CA 1.418 63.598 62.300 -0.200 0.000 1.024 72 V CB -0.645 31.140 31.823 -0.063 0.000 0.651 72 V HN 0.433 nan 8.190 nan 0.000 0.449 73 H N 0.431 119.410 119.070 -0.152 0.000 2.387 73 H HA -0.160 4.386 4.556 -0.017 0.000 0.299 73 H C 2.399 177.661 175.328 -0.110 0.000 1.099 73 H CA 1.767 57.742 56.048 -0.120 0.000 1.315 73 H CB 0.094 29.786 29.762 -0.117 0.000 1.380 73 H HN 0.452 nan 8.280 nan 0.000 0.513 74 K N 0.470 120.869 120.400 -0.003 0.000 2.057 74 K HA -0.059 4.244 4.320 -0.027 0.000 0.206 74 K C 2.425 178.990 176.600 -0.059 0.000 1.050 74 K CA 0.596 56.861 56.287 -0.036 0.000 0.935 74 K CB 0.025 32.493 32.500 -0.054 0.000 0.715 74 K HN 0.147 nan 8.250 nan 0.000 0.439 75 L N 0.482 121.644 121.223 -0.102 0.000 2.017 75 L HA -0.197 4.127 4.340 -0.027 0.000 0.208 75 L C 2.578 179.408 176.870 -0.067 0.000 1.073 75 L CA 0.875 55.662 54.840 -0.088 0.000 0.745 75 L CB -0.357 41.625 42.059 -0.128 0.000 0.894 75 L HN 0.226 nan 8.230 nan 0.000 0.432 76 M N -0.387 119.159 119.600 -0.089 0.000 2.082 76 M HA -0.293 4.170 4.480 -0.027 0.000 0.258 76 M C 1.975 178.235 176.300 -0.068 0.000 1.069 76 M CA 1.919 57.165 55.300 -0.090 0.000 1.102 76 M CB -1.253 31.262 32.600 -0.142 0.000 1.336 76 M HN 0.250 nan 8.290 nan 0.000 0.404 77 D N -0.049 120.317 120.400 -0.055 0.000 2.218 77 D HA -0.102 4.522 4.640 -0.027 0.000 0.204 77 D C 2.026 178.309 176.300 -0.028 0.000 0.976 77 D CA 0.740 54.718 54.000 -0.036 0.000 0.853 77 D CB 0.059 40.847 40.800 -0.019 0.000 0.939 77 D HN 0.331 nan 8.370 nan 0.000 0.481 78 L N -0.501 120.707 121.223 -0.026 0.000 2.376 78 L HA 0.030 4.353 4.340 -0.027 0.000 0.219 78 L C 1.524 178.385 176.870 -0.015 0.000 1.133 78 L CA 0.581 55.413 54.840 -0.012 0.000 0.816 78 L CB 0.099 42.154 42.059 -0.006 0.000 0.933 78 L HN 0.003 nan 8.230 nan 0.000 0.449 79 S N -0.975 114.705 115.700 -0.033 0.000 2.559 79 S HA 0.145 4.599 4.470 -0.027 0.000 0.226 79 S C 1.613 176.171 174.600 -0.070 0.000 1.000 79 S CA -0.346 57.824 58.200 -0.051 0.000 0.948 79 S CB 0.478 63.649 63.200 -0.048 0.000 0.870 79 S HN 0.294 nan 8.310 nan 0.000 0.497 80 I N 2.251 122.790 120.570 -0.051 0.000 2.248 80 I HA -0.246 3.908 4.170 -0.027 0.000 0.248 80 I C 0.949 177.034 176.117 -0.055 0.000 1.107 80 I CA 1.441 62.712 61.300 -0.048 0.000 1.373 80 I CB 0.090 38.071 38.000 -0.032 0.000 1.055 80 I HN 0.194 nan 8.210 nan 0.000 0.418 81 N N 0.940 119.606 118.700 -0.057 0.000 2.236 81 N HA 0.074 4.797 4.740 -0.027 0.000 0.196 81 N C -0.173 175.212 175.510 -0.209 0.000 1.114 81 N CA 0.221 53.233 53.050 -0.063 0.000 0.859 81 N CB 0.135 38.629 38.487 0.012 0.000 0.982 81 N HN 0.340 nan 8.380 nan 0.000 0.493 82 K N 1.907 122.118 120.400 -0.314 0.000 2.363 82 K HA 0.073 4.377 4.320 -0.027 0.000 0.289 82 K C -0.100 176.135 176.600 -0.609 0.000 1.063 82 K CA -0.198 55.651 56.287 -0.731 0.000 0.967 82 K CB 0.210 32.470 32.500 -0.400 0.000 0.987 82 K HN -0.069 nan 8.250 nan 0.000 0.473 83 N N 3.063 121.257 118.700 -0.843 0.000 2.415 83 N HA -0.029 4.695 4.740 -0.027 0.000 0.246 83 N C 0.433 175.886 175.510 -0.096 0.000 1.078 83 N CA -0.475 52.422 53.050 -0.256 0.000 0.942 83 N CB 0.383 38.838 38.487 -0.054 0.000 1.140 83 N HN 0.620 nan 8.380 nan 0.000 0.501 84 W N 5.133 126.331 121.300 -0.171 0.000 2.313 84 W HA -0.194 4.449 4.660 -0.028 0.000 0.293 84 W C 1.313 177.784 176.519 -0.079 0.000 1.216 84 W CA 0.944 58.224 57.345 -0.109 0.000 1.223 84 W CB -0.127 29.275 29.460 -0.096 0.000 1.138 84 W HN 0.637 nan 8.180 nan 0.000 0.535 85 I N 0.467 120.891 120.570 -0.244 0.000 2.876 85 I HA -0.035 4.119 4.170 -0.027 0.000 0.264 85 I C 0.514 176.481 176.117 -0.250 0.000 1.204 85 I CA 1.000 61.985 61.300 -0.526 0.000 1.485 85 I CB -0.482 37.106 38.000 -0.687 0.000 1.103 85 I HN -0.209 nan 8.210 nan 0.000 0.446 86 D N 0.279 120.655 120.400 -0.040 0.000 2.563 86 D HA 0.056 4.680 4.640 -0.027 0.000 0.222 86 D C 1.294 177.648 176.300 0.090 0.000 1.145 86 D CA 0.041 54.131 54.000 0.149 0.000 1.001 86 D CB 0.505 41.458 40.800 0.254 0.000 1.049 86 D HN -0.117 nan 8.370 nan 0.000 0.515 87 K N 1.137 121.435 120.400 -0.169 0.000 2.103 87 K HA -0.163 4.140 4.320 -0.027 0.000 0.207 87 K C 1.639 178.093 176.600 -0.243 0.000 1.048 87 K CA 0.968 57.018 56.287 -0.396 0.000 0.930 87 K CB -0.025 31.904 32.500 -0.951 0.000 0.716 87 K HN 0.479 nan 8.250 nan 0.000 0.444 88 E N 0.144 120.265 120.200 -0.132 0.000 2.058 88 E HA -0.251 4.082 4.350 -0.027 0.000 0.194 88 E C 1.710 178.242 176.600 -0.113 0.000 0.997 88 E CA 1.571 57.949 56.400 -0.037 0.000 0.801 88 E CB 0.020 29.799 29.700 0.132 0.000 0.746 88 E HN 0.250 nan 8.360 nan 0.000 0.450 89 E N -1.004 119.077 120.200 -0.198 0.000 2.250 89 E HA -0.051 4.283 4.350 -0.027 0.000 0.192 89 E C -0.320 175.849 176.600 -0.719 0.000 0.986 89 E CA 0.556 56.647 56.400 -0.515 0.000 0.849 89 E CB 0.229 29.462 29.700 -0.777 0.000 0.797 89 E HN 0.309 nan 8.360 nan 0.000 0.482 90 Y N -0.301 119.977 120.300 -0.038 0.000 2.638 90 Y HA 0.337 4.871 4.550 -0.028 0.000 0.367 90 Y C -1.923 173.939 175.900 -0.062 0.000 1.001 90 Y CA -2.358 55.720 58.100 -0.037 0.000 1.133 90 Y CB 1.103 39.549 38.460 -0.023 0.000 1.199 90 Y HN 0.085 nan 8.280 nan 0.000 0.642 91 P HA -0.136 nan 4.420 nan 0.000 0.221 91 P C 1.527 178.823 177.300 -0.007 0.000 1.150 91 P CA 1.062 64.143 63.100 -0.031 0.000 0.800 91 P CB 0.645 32.315 31.700 -0.051 0.000 0.787 92 Q N 0.103 119.917 119.800 0.023 0.000 2.096 92 Q HA -0.019 4.305 4.340 -0.027 0.000 0.197 92 Q C 2.292 178.301 176.000 0.016 0.000 0.964 92 Q CA 1.569 57.382 55.803 0.016 0.000 0.838 92 Q CB -1.088 27.668 28.738 0.029 0.000 0.906 92 Q HN 0.055 nan 8.270 nan 0.000 0.444 93 S N 0.352 116.086 115.700 0.056 0.000 2.370 93 S HA -0.206 4.248 4.470 -0.027 0.000 0.226 93 S C 1.895 176.524 174.600 0.047 0.000 1.033 93 S CA 1.125 59.359 58.200 0.057 0.000 1.011 93 S CB -0.541 62.710 63.200 0.085 0.000 0.852 93 S HN 0.564 nan 8.310 nan 0.000 0.457 94 A N 1.540 124.371 122.820 0.018 0.000 1.902 94 A HA 0.131 4.435 4.320 -0.027 0.000 0.217 94 A C 2.375 179.951 177.584 -0.013 0.000 1.181 94 A CA 1.660 53.681 52.037 -0.026 0.000 0.623 94 A CB -1.084 17.849 19.000 -0.111 0.000 0.818 94 A HN 0.521 nan 8.150 nan 0.000 0.443 95 A N -0.144 122.658 122.820 -0.029 0.000 1.902 95 A HA -0.106 4.197 4.320 -0.027 0.000 0.217 95 A C 2.111 179.650 177.584 -0.075 0.000 1.181 95 A CA 1.611 53.624 52.037 -0.041 0.000 0.623 95 A CB -0.592 18.384 19.000 -0.041 0.000 0.818 95 A HN 0.481 nan 8.150 nan 0.000 0.443 96 I N -0.264 120.233 120.570 -0.123 0.000 2.315 96 I HA -0.231 3.923 4.170 -0.027 0.000 0.248 96 I C 2.253 178.297 176.117 -0.121 0.000 1.117 96 I CA 1.701 62.819 61.300 -0.304 0.000 1.404 96 I CB -0.266 37.527 38.000 -0.346 0.000 1.071 96 I HN 0.431 nan 8.210 nan 0.000 0.419 97 D N 1.071 121.508 120.400 0.061 0.000 2.092 97 D HA -0.204 4.420 4.640 -0.027 0.000 0.193 97 D C 2.196 178.630 176.300 0.224 0.000 0.994 97 D CA 1.677 55.823 54.000 0.243 0.000 0.828 97 D CB -0.176 40.832 40.800 0.347 0.000 0.963 97 D HN 0.243 nan 8.370 nan 0.000 0.450 98 L N -0.295 121.010 121.223 0.137 0.000 2.127 98 L HA -0.112 4.212 4.340 -0.027 0.000 0.211 98 L C 2.811 179.722 176.870 0.070 0.000 1.089 98 L CA 1.006 55.913 54.840 0.112 0.000 0.757 98 L CB -0.403 41.695 42.059 0.064 0.000 0.899 98 L HN 0.052 nan 8.230 nan 0.000 0.434 99 R N -0.879 119.636 120.500 0.025 0.000 2.091 99 R HA -0.168 4.156 4.340 -0.027 0.000 0.238 99 R C 2.438 178.785 176.300 0.077 0.000 1.136 99 R CA 1.724 57.844 56.100 0.033 0.000 0.959 99 R CB -0.655 29.637 30.300 -0.013 0.000 0.856 99 R HN 0.418 nan 8.270 nan 0.000 0.437 100 C N -0.182 119.174 119.300 0.093 0.000 2.432 100 C HA -0.069 4.374 4.460 -0.027 0.000 0.277 100 C C 2.693 177.546 174.990 -0.229 0.000 1.249 100 C CA 0.432 59.472 59.018 0.038 0.000 1.725 100 C CB -0.659 27.090 27.740 0.016 0.000 2.028 100 C HN 0.305 nan 8.230 nan 0.000 0.477 101 V N 2.047 121.898 119.914 -0.105 0.000 2.282 101 V HA -0.268 3.836 4.120 -0.027 0.000 0.249 101 V C 2.241 178.285 176.094 -0.084 0.000 1.057 101 V CA 2.267 64.541 62.300 -0.043 0.000 1.032 101 V CB -0.723 31.205 31.823 0.176 0.000 0.645 101 V HN 0.545 nan 8.190 nan 0.000 0.447 102 N N -0.437 118.237 118.700 -0.042 0.000 2.166 102 N HA -0.121 4.602 4.740 -0.027 0.000 0.186 102 N C 1.794 177.222 175.510 -0.138 0.000 1.019 102 N CA 1.607 54.620 53.050 -0.062 0.000 0.856 102 N CB -0.312 38.161 38.487 -0.022 0.000 0.993 102 N HN 0.466 nan 8.380 nan 0.000 0.426 103 M N -0.159 119.342 119.600 -0.165 0.000 2.099 103 M HA -0.085 4.379 4.480 -0.027 0.000 0.262 103 M C 2.099 178.122 176.300 -0.462 0.000 1.067 103 M CA 0.977 56.114 55.300 -0.272 0.000 1.124 103 M CB -0.127 32.333 32.600 -0.235 0.000 1.353 103 M HN -0.109 nan 8.290 nan 0.000 0.410 104 V N 0.425 120.011 119.914 -0.546 0.000 2.295 104 V HA -0.251 3.853 4.120 -0.027 0.000 0.246 104 V C 2.646 178.292 176.094 -0.747 0.000 1.049 104 V CA 2.007 63.820 62.300 -0.811 0.000 1.024 104 V CB -1.239 30.038 31.823 -0.911 0.000 0.648 104 V HN 0.522 nan 8.190 nan 0.000 0.447 105 A N 0.324 122.913 122.820 -0.384 0.000 1.903 105 A HA -0.381 3.923 4.320 -0.027 0.000 0.219 105 A C 2.042 179.527 177.584 -0.165 0.000 1.191 105 A CA 2.622 54.571 52.037 -0.145 0.000 0.638 105 A CB -0.900 18.055 19.000 -0.075 0.000 0.823 105 A HN 0.660 nan 8.150 nan 0.000 0.451 106 D N -1.015 119.247 120.400 -0.231 0.000 2.144 106 D HA -0.136 4.488 4.640 -0.027 0.000 0.199 106 D C 1.697 177.807 176.300 -0.316 0.000 0.984 106 D CA 1.188 55.056 54.000 -0.220 0.000 0.834 106 D CB -0.195 40.487 40.800 -0.197 0.000 0.955 106 D HN 0.255 nan 8.370 nan 0.000 0.465 107 L N -0.427 120.539 121.223 -0.429 0.000 2.131 107 L HA -0.052 4.272 4.340 -0.027 0.000 0.210 107 L C 0.980 177.632 176.870 -0.362 0.000 1.092 107 L CA 1.173 55.718 54.840 -0.493 0.000 0.759 107 L CB -0.341 41.317 42.059 -0.669 0.000 0.903 107 L HN 0.262 nan 8.230 nan 0.000 0.435 108 W N -0.293 120.820 121.300 -0.311 0.000 3.223 108 W HA 0.250 4.893 4.660 -0.027 0.000 0.389 108 W C 0.461 176.922 176.519 -0.098 0.000 1.118 108 W CA -0.393 56.768 57.345 -0.307 0.000 1.902 108 W CB -1.060 28.241 29.460 -0.264 0.000 1.094 108 W HN 0.326 nan 8.180 nan 0.000 0.666 109 H N -1.184 117.921 119.070 0.057 0.000 2.862 109 H HA -0.157 4.383 4.556 -0.027 0.000 0.290 109 H C 0.947 176.307 175.328 0.054 0.000 1.211 109 H CA 0.883 56.935 56.048 0.006 0.000 1.140 109 H CB -1.694 28.024 29.762 -0.073 0.000 1.341 109 H HN 0.111 nan 8.280 nan 0.000 0.392 110 A N 1.286 124.177 122.820 0.119 0.000 2.540 110 A HA 0.295 4.598 4.320 -0.027 0.000 0.239 110 A C -1.499 176.011 177.584 -0.123 0.000 1.061 110 A CA -0.676 51.245 52.037 -0.195 0.000 0.758 110 A CB 0.157 18.997 19.000 -0.267 0.000 0.991 110 A HN 0.058 nan 8.150 nan 0.000 0.502 111 P HA 0.178 nan 4.420 nan 0.000 0.264 111 P C -0.071 177.180 177.300 -0.081 0.000 1.183 111 P CA 0.596 63.644 63.100 -0.088 0.000 0.763 111 P CB 0.453 32.098 31.700 -0.091 0.000 0.807 112 A N 5.818 128.608 122.820 -0.050 0.000 2.537 112 A HA 0.211 4.515 4.320 -0.027 0.000 0.260 112 A C -1.569 175.992 177.584 -0.037 0.000 1.082 112 A CA -0.799 51.214 52.037 -0.041 0.000 0.765 112 A CB -1.169 17.815 19.000 -0.027 0.000 1.019 112 A HN 0.412 nan 8.150 nan 0.000 0.507 113 P HA 0.125 nan 4.420 nan 0.000 0.267 113 P C 0.227 177.518 177.300 -0.015 0.000 1.209 113 P CA -0.065 63.021 63.100 -0.024 0.000 0.763 113 P CB 0.858 32.549 31.700 -0.015 0.000 0.816 114 K N 2.324 122.717 120.400 -0.013 0.000 2.147 114 K HA -0.152 4.152 4.320 -0.027 0.000 0.205 114 K C 1.394 177.990 176.600 -0.006 0.000 1.049 114 K CA 1.669 57.950 56.287 -0.009 0.000 0.936 114 K CB -0.168 32.327 32.500 -0.008 0.000 0.722 114 K HN 0.547 nan 8.250 nan 0.000 0.446 115 N N -1.069 117.629 118.700 -0.003 0.000 2.235 115 N HA 0.078 4.801 4.740 -0.027 0.000 0.209 115 N C 0.841 176.352 175.510 0.002 0.000 1.122 115 N CA 0.673 53.722 53.050 -0.000 0.000 0.845 115 N CB 0.883 39.371 38.487 0.001 0.000 1.004 115 N HN 0.196 nan 8.380 nan 0.000 0.499 116 G N -0.516 108.284 108.800 -0.000 0.000 2.241 116 G HA2 -0.293 3.650 3.960 -0.027 0.000 0.244 116 G HA3 -0.293 3.650 3.960 -0.027 0.000 0.244 116 G C -0.184 174.719 174.900 0.005 0.000 0.998 116 G CA 0.337 45.437 45.100 0.001 0.000 0.621 116 G HN 0.663 nan 8.290 nan 0.000 0.519 117 Q N 0.926 120.733 119.800 0.011 0.000 2.327 117 Q HA 0.780 5.103 4.340 -0.027 0.000 0.270 117 Q C 0.147 176.167 176.000 0.033 0.000 1.022 117 Q CA 0.388 56.205 55.803 0.023 0.000 0.773 117 Q CB 1.251 30.007 28.738 0.030 0.000 1.251 117 Q HN 1.178 nan 8.270 nan 0.000 0.457 118 A N 3.000 125.841 122.820 0.036 0.000 2.425 118 A HA 0.474 4.777 4.320 -0.027 0.000 0.242 118 A C -0.502 177.149 177.584 0.112 0.000 1.077 118 A CA -0.400 51.666 52.037 0.047 0.000 0.781 118 A CB 0.545 19.559 19.000 0.022 0.000 1.020 118 A HN 0.599 nan 8.150 nan 0.000 0.494 119 V N 2.117 122.118 119.914 0.146 0.000 2.353 119 V HA 0.643 4.746 4.120 -0.027 0.000 0.264 119 V C 0.803 177.174 176.094 0.462 0.000 1.049 119 V CA 0.810 63.260 62.300 0.249 0.000 0.896 119 V CB -0.140 31.807 31.823 0.206 0.000 1.025 119 V HN 1.440 nan 8.190 nan 0.000 0.475 120 G N 2.891 111.997 108.800 0.510 0.000 2.349 120 G HA2 0.583 4.526 3.960 -0.027 0.000 0.294 120 G HA3 0.583 4.526 3.960 -0.027 0.000 0.294 120 G C -1.120 174.123 174.900 0.572 0.000 1.380 120 G CA -0.026 45.458 45.100 0.640 0.000 0.811 120 G HN 0.656 nan 8.290 nan 0.000 0.519 121 T N -0.598 114.301 114.554 0.575 0.000 2.889 121 T HA 0.478 4.811 4.350 -0.027 0.000 0.315 121 T C -0.889 174.055 174.700 0.408 0.000 1.291 121 T CA -0.658 61.749 62.100 0.511 0.000 1.028 121 T CB 1.621 70.780 68.868 0.485 0.000 1.235 121 T HN 0.764 nan 8.240 nan 0.000 0.491 122 N N 1.406 120.250 118.700 0.241 0.000 2.482 122 N HA 0.414 5.137 4.740 -0.027 0.000 0.260 122 N C -0.287 174.946 175.510 -0.463 0.000 1.236 122 N CA 0.252 53.050 53.050 -0.419 0.000 0.938 122 N CB 0.965 39.096 38.487 -0.594 0.000 1.128 122 N HN 0.843 nan 8.380 nan 0.000 0.448 123 T N -0.193 114.012 114.554 -0.580 0.000 2.812 123 T HA 0.342 4.676 4.350 -0.027 0.000 0.294 123 T C 1.406 175.839 174.700 -0.446 0.000 1.159 123 T CA -0.834 61.003 62.100 -0.440 0.000 1.008 123 T CB 0.794 69.508 68.868 -0.257 0.000 1.289 123 T HN 0.276 nan 8.240 nan 0.000 0.514 124 I N 0.866 121.253 120.570 -0.304 0.000 2.493 124 I HA 0.218 4.371 4.170 -0.027 0.000 0.254 124 I C 1.445 177.500 176.117 -0.102 0.000 1.160 124 I CA 1.758 62.935 61.300 -0.205 0.000 1.445 124 I CB -1.077 36.846 38.000 -0.129 0.000 1.086 124 I HN 1.035 nan 8.210 nan 0.000 0.433 125 G N -1.424 107.300 108.800 -0.127 0.000 2.341 125 G HA2 0.122 4.065 3.960 -0.027 0.000 0.299 125 G HA3 0.122 4.065 3.960 -0.027 0.000 0.299 125 G C 0.162 174.996 174.900 -0.109 0.000 1.274 125 G CA 0.079 45.123 45.100 -0.092 0.000 0.853 125 G HN -0.145 nan 8.290 nan 0.000 0.493 126 S N -0.367 115.291 115.700 -0.070 0.000 2.423 126 S HA -0.021 4.433 4.470 -0.027 0.000 0.231 126 S C 2.543 177.074 174.600 -0.116 0.000 1.014 126 S CA 1.675 59.842 58.200 -0.056 0.000 0.965 126 S CB -0.187 63.011 63.200 -0.003 0.000 0.785 126 S HN 0.517 nan 8.310 nan 0.000 0.495 127 S N 1.168 116.808 115.700 -0.100 0.000 2.351 127 S HA -0.166 4.288 4.470 -0.027 0.000 0.220 127 S C 1.957 176.470 174.600 -0.145 0.000 1.035 127 S CA 1.348 59.467 58.200 -0.136 0.000 1.031 127 S CB -0.307 62.855 63.200 -0.064 0.000 0.928 127 S HN 0.650 nan 8.310 nan 0.000 0.433 128 E N 0.690 120.832 120.200 -0.097 0.000 2.110 128 E HA -0.138 4.195 4.350 -0.027 0.000 0.193 128 E C 2.106 178.614 176.600 -0.153 0.000 0.988 128 E CA 0.949 57.290 56.400 -0.098 0.000 0.804 128 E CB -0.262 29.386 29.700 -0.088 0.000 0.745 128 E HN 0.465 nan 8.360 nan 0.000 0.458 129 A N 0.631 123.366 122.820 -0.143 0.000 1.883 129 A HA -0.243 4.061 4.320 -0.027 0.000 0.217 129 A C 2.509 179.973 177.584 -0.199 0.000 1.186 129 A CA 1.650 53.619 52.037 -0.114 0.000 0.624 129 A CB -1.071 17.907 19.000 -0.037 0.000 0.822 129 A HN 0.541 nan 8.150 nan 0.000 0.444 130 C N -0.537 118.557 119.300 -0.343 0.000 2.432 130 C HA -0.134 4.310 4.460 -0.027 0.000 0.277 130 C C 2.970 177.462 174.990 -0.830 0.000 1.249 130 C CA 1.350 59.924 59.018 -0.740 0.000 1.725 130 C CB -1.087 25.855 27.740 -1.331 0.000 2.028 130 C HN 0.618 nan 8.230 nan 0.000 0.477 131 M N 0.583 119.837 119.600 -0.577 0.000 2.108 131 M HA -0.142 4.321 4.480 -0.027 0.000 0.261 131 M C 2.061 178.112 176.300 -0.415 0.000 1.066 131 M CA 1.798 56.823 55.300 -0.459 0.000 1.107 131 M CB -1.401 31.097 32.600 -0.170 0.000 1.356 131 M HN 0.408 nan 8.290 nan 0.000 0.406 132 L N -0.177 120.876 121.223 -0.284 0.000 2.027 132 L HA -0.097 4.227 4.340 -0.027 0.000 0.206 132 L C 2.885 179.878 176.870 0.203 0.000 1.074 132 L CA 1.425 56.188 54.840 -0.128 0.000 0.745 132 L CB -1.514 40.427 42.059 -0.196 0.000 0.898 132 L HN 0.379 nan 8.230 nan 0.000 0.433 133 G N -0.157 108.635 108.800 -0.014 0.000 2.469 133 G HA2 -0.233 3.711 3.960 -0.027 0.000 0.219 133 G HA3 -0.233 3.711 3.960 -0.027 0.000 0.219 133 G C 1.576 176.432 174.900 -0.074 0.000 1.150 133 G CA 0.872 45.938 45.100 -0.055 0.000 0.763 133 G HN 0.501 nan 8.290 nan 0.000 0.561 134 G N 0.356 108.928 108.800 -0.380 0.000 2.421 134 G HA2 -0.181 3.762 3.960 -0.027 0.000 0.216 134 G HA3 -0.181 3.762 3.960 -0.027 0.000 0.216 134 G C 1.864 176.741 174.900 -0.040 0.000 1.171 134 G CA 0.976 45.706 45.100 -0.617 0.000 0.775 134 G HN 0.401 nan 8.290 nan 0.000 0.543 135 M N 0.514 120.144 119.600 0.050 0.000 2.132 135 M HA 0.021 4.484 4.480 -0.027 0.000 0.263 135 M C 3.006 179.577 176.300 0.452 0.000 1.065 135 M CA 1.390 56.849 55.300 0.266 0.000 1.122 135 M CB -0.107 32.580 32.600 0.145 0.000 1.365 135 M HN 0.337 nan 8.290 nan 0.000 0.411 136 A N 0.036 123.106 122.820 0.416 0.000 1.877 136 A HA -0.212 4.091 4.320 -0.027 0.000 0.216 136 A C 2.099 179.930 177.584 0.412 0.000 1.186 136 A CA 1.599 53.866 52.037 0.383 0.000 0.620 136 A CB -0.651 18.650 19.000 0.502 0.000 0.822 136 A HN 0.470 nan 8.150 nan 0.000 0.443 137 M N -0.809 119.017 119.600 0.376 0.000 2.110 137 M HA -0.265 4.199 4.480 -0.027 0.000 0.257 137 M C 2.351 178.874 176.300 0.372 0.000 1.071 137 M CA 2.477 57.971 55.300 0.324 0.000 1.096 137 M CB -0.367 32.363 32.600 0.216 0.000 1.300 137 M HN 0.535 nan 8.290 nan 0.000 0.411 138 K N -0.296 120.344 120.400 0.401 0.000 2.059 138 K HA -0.255 4.049 4.320 -0.027 0.000 0.212 138 K C 1.955 178.819 176.600 0.440 0.000 1.050 138 K CA 2.035 58.575 56.287 0.421 0.000 0.927 138 K CB -0.339 32.422 32.500 0.436 0.000 0.714 138 K HN 0.487 nan 8.250 nan 0.000 0.447 139 W N 1.106 122.558 121.300 0.254 0.000 2.358 139 W HA -0.142 4.502 4.660 -0.027 0.000 0.303 139 W C 2.195 178.814 176.519 0.166 0.000 1.208 139 W CA 1.210 58.666 57.345 0.185 0.000 1.274 139 W CB -0.181 29.338 29.460 0.098 0.000 1.138 139 W HN 0.232 nan 8.180 nan 0.000 0.515 140 R N -1.063 119.669 120.500 0.387 0.000 2.081 140 R HA -0.225 4.098 4.340 -0.027 0.000 0.235 140 R C 1.989 178.433 176.300 0.241 0.000 1.131 140 R CA 2.043 58.304 56.100 0.268 0.000 0.960 140 R CB -1.157 29.297 30.300 0.256 0.000 0.856 140 R HN 0.239 nan 8.270 nan 0.000 0.436 141 W N 1.712 123.078 121.300 0.109 0.000 2.378 141 W HA -0.123 4.520 4.660 -0.027 0.000 0.313 141 W C 2.173 178.706 176.519 0.022 0.000 1.197 141 W CA 1.069 58.455 57.345 0.069 0.000 1.304 141 W CB -0.189 29.319 29.460 0.078 0.000 1.148 141 W HN -0.157 nan 8.180 nan 0.000 0.494 142 R N 0.619 121.114 120.500 -0.007 0.000 2.113 142 R HA -0.226 4.097 4.340 -0.027 0.000 0.244 142 R C 2.213 178.336 176.300 -0.295 0.000 1.142 142 R CA 2.280 58.186 56.100 -0.322 0.000 0.953 142 R CB -0.567 29.584 30.300 -0.249 0.000 0.860 142 R HN 0.300 nan 8.270 nan 0.000 0.438 143 K N -0.199 120.126 120.400 -0.125 0.000 2.025 143 K HA -0.114 4.189 4.320 -0.027 0.000 0.207 143 K C 2.225 178.755 176.600 -0.117 0.000 1.049 143 K CA 0.909 57.149 56.287 -0.078 0.000 0.933 143 K CB -0.171 32.343 32.500 0.022 0.000 0.714 143 K HN 0.165 nan 8.250 nan 0.000 0.438 144 R N 0.298 120.724 120.500 -0.124 0.000 2.083 144 R HA -0.053 4.270 4.340 -0.027 0.000 0.237 144 R C 2.326 178.507 176.300 -0.197 0.000 1.137 144 R CA 1.324 57.350 56.100 -0.123 0.000 0.951 144 R CB -0.127 30.128 30.300 -0.075 0.000 0.851 144 R HN 0.196 nan 8.270 nan 0.000 0.434 145 M N -0.039 119.341 119.600 -0.368 0.000 2.229 145 M HA -0.103 4.360 4.480 -0.027 0.000 0.264 145 M C 1.755 177.898 176.300 -0.261 0.000 1.063 145 M CA 1.449 56.516 55.300 -0.388 0.000 1.114 145 M CB -0.590 31.580 32.600 -0.717 0.000 1.387 145 M HN 0.157 nan 8.290 nan 0.000 0.420 146 E N 0.419 120.475 120.200 -0.240 0.000 2.107 146 E HA -0.064 4.269 4.350 -0.027 0.000 0.191 146 E C 2.044 178.579 176.600 -0.108 0.000 0.982 146 E CA 1.101 57.406 56.400 -0.158 0.000 0.809 146 E CB -0.000 29.618 29.700 -0.136 0.000 0.756 146 E HN 0.478 nan 8.360 nan 0.000 0.459 147 A N 0.723 123.482 122.820 -0.100 0.000 2.067 147 A HA -0.020 4.284 4.320 -0.027 0.000 0.219 147 A C 2.125 179.671 177.584 -0.064 0.000 1.158 147 A CA 1.437 53.433 52.037 -0.067 0.000 0.661 147 A CB -0.224 18.743 19.000 -0.054 0.000 0.801 147 A HN 0.270 nan 8.150 nan 0.000 0.452 148 A N -2.022 120.749 122.820 -0.083 0.000 2.275 148 A HA 0.441 4.744 4.320 -0.027 0.000 0.212 148 A C 1.690 179.237 177.584 -0.063 0.000 1.201 148 A CA 1.071 53.067 52.037 -0.068 0.000 0.843 148 A CB -0.666 18.289 19.000 -0.075 0.000 0.873 148 A HN 1.795 nan 8.150 nan 0.000 0.492 149 G N -0.377 108.380 108.800 -0.071 0.000 2.136 149 G HA2 -0.244 3.699 3.960 -0.027 0.000 0.242 149 G HA3 -0.244 3.699 3.960 -0.027 0.000 0.242 149 G C 0.087 174.951 174.900 -0.060 0.000 0.989 149 G CA 0.604 45.669 45.100 -0.058 0.000 0.682 149 G HN 0.577 nan 8.290 nan 0.000 0.522 150 K N 0.344 120.692 120.400 -0.087 0.000 2.166 150 K HA 0.556 4.860 4.320 -0.027 0.000 0.245 150 K C -2.511 174.033 176.600 -0.094 0.000 0.967 150 K CA -2.046 54.195 56.287 -0.077 0.000 0.863 150 K CB 1.506 33.960 32.500 -0.076 0.000 1.107 150 K HN -0.016 nan 8.250 nan 0.000 0.436 151 P HA 0.032 nan 4.420 nan 0.000 0.271 151 P C -0.144 177.131 177.300 -0.042 0.000 1.216 151 P CA -0.222 62.862 63.100 -0.027 0.000 0.776 151 P CB 0.517 32.230 31.700 0.022 0.000 0.881 152 T N -3.100 111.426 114.554 -0.047 0.000 3.269 152 T HA 0.101 4.435 4.350 -0.027 0.000 0.269 152 T C 0.500 175.337 174.700 0.228 0.000 0.993 152 T CA -0.302 61.778 62.100 -0.034 0.000 0.909 152 T CB -0.578 68.160 68.868 -0.217 0.000 1.115 152 T HN 0.389 nan 8.240 nan 0.000 0.543 153 D N 0.998 121.513 120.400 0.192 0.000 2.379 153 D HA 0.015 4.639 4.640 -0.027 0.000 0.208 153 D C 0.583 176.974 176.300 0.152 0.000 1.065 153 D CA -0.158 53.932 54.000 0.150 0.000 0.848 153 D CB 0.166 41.016 40.800 0.082 0.000 0.949 153 D HN 0.378 nan 8.370 nan 0.000 0.509 154 K N 1.997 122.514 120.400 0.196 0.000 3.163 154 K HA 0.279 4.582 4.320 -0.027 0.000 0.186 154 K C -2.568 174.039 176.600 0.012 0.000 1.111 154 K CA -1.406 54.941 56.287 0.100 0.000 0.918 154 K CB 1.722 34.272 32.500 0.084 0.000 1.059 154 K HN 0.161 nan 8.250 nan 0.000 0.558 155 P HA -0.016 nan 4.420 nan 0.000 0.271 155 P C -1.015 176.106 177.300 -0.300 0.000 1.216 155 P CA -0.074 62.694 63.100 -0.554 0.000 0.776 155 P CB 0.659 32.003 31.700 -0.592 0.000 0.881 156 N N 1.890 120.395 118.700 -0.324 0.000 2.405 156 N HA 0.629 5.353 4.740 -0.027 0.000 0.285 156 N C -1.521 173.890 175.510 -0.164 0.000 1.262 156 N CA -1.016 51.932 53.050 -0.169 0.000 0.773 156 N CB 1.472 39.892 38.487 -0.111 0.000 1.490 156 N HN 0.265 nan 8.380 nan 0.000 0.486 157 L N 1.269 122.439 121.223 -0.088 0.000 2.470 157 L HA 0.597 4.921 4.340 -0.027 0.000 0.268 157 L C -1.694 175.114 176.870 -0.105 0.000 0.964 157 L CA -0.796 53.996 54.840 -0.080 0.000 0.839 157 L CB 1.796 43.873 42.059 0.029 0.000 1.276 157 L HN 0.561 nan 8.230 nan 0.000 0.403 158 V N 4.699 124.533 119.914 -0.134 0.000 2.398 158 V HA 0.628 4.732 4.120 -0.027 0.000 0.286 158 V C 0.272 176.270 176.094 -0.160 0.000 1.026 158 V CA -0.290 61.932 62.300 -0.130 0.000 0.868 158 V CB 1.341 33.087 31.823 -0.128 0.000 0.982 158 V HN 0.989 nan 8.190 nan 0.000 0.443 159 C N 2.483 121.696 119.300 -0.144 0.000 3.314 159 C HA 0.974 5.418 4.460 -0.027 0.000 0.344 159 C C 0.569 175.505 174.990 -0.089 0.000 1.461 159 C CA -0.173 58.745 59.018 -0.165 0.000 1.249 159 C CB 1.170 28.740 27.740 -0.283 0.000 1.632 159 C HN 0.959 nan 8.230 nan 0.000 0.452 160 G N -0.316 108.449 108.800 -0.059 0.000 2.641 160 G HA2 0.719 4.663 3.960 -0.027 0.000 0.239 160 G HA3 0.719 4.663 3.960 -0.027 0.000 0.239 160 G C -2.545 172.386 174.900 0.052 0.000 1.402 160 G CA -0.892 44.220 45.100 0.021 0.000 1.046 160 G HN 0.788 nan 8.290 nan 0.000 0.565 161 P HA 0.161 nan 4.420 nan 0.000 0.249 161 P C 0.359 177.846 177.300 0.312 0.000 1.737 161 P CA -0.175 63.018 63.100 0.156 0.000 1.128 161 P CB -0.193 31.565 31.700 0.095 0.000 1.942 162 V N -0.181 119.895 119.914 0.270 0.000 3.083 162 V HA 0.272 4.375 4.120 -0.027 0.000 0.306 162 V C 0.814 177.168 176.094 0.433 0.000 1.077 162 V CA -0.837 61.634 62.300 0.286 0.000 1.073 162 V CB 0.473 32.384 31.823 0.146 0.000 1.081 162 V HN 0.249 nan 8.190 nan 0.000 0.474 163 Q N 0.704 120.731 119.800 0.378 0.000 2.535 163 Q HA 0.184 4.508 4.340 -0.027 0.000 0.228 163 Q C 0.974 177.162 176.000 0.314 0.000 1.062 163 Q CA 0.206 56.160 55.803 0.252 0.000 0.967 163 Q CB 0.986 29.794 28.738 0.116 0.000 1.273 163 Q HN 0.919 nan 8.270 nan 0.000 0.554 164 I N 1.457 122.083 120.570 0.093 0.000 2.567 164 I HA -0.291 3.863 4.170 -0.027 0.000 0.257 164 I C 2.241 178.415 176.117 0.095 0.000 1.184 164 I CA 1.169 62.504 61.300 0.060 0.000 1.451 164 I CB 0.003 37.816 38.000 -0.312 0.000 1.089 164 I HN 0.822 nan 8.210 nan 0.000 0.441 165 C N -0.882 118.414 119.300 -0.007 0.000 2.419 165 C HA -0.135 4.309 4.460 -0.027 0.000 0.281 165 C C 2.279 177.193 174.990 -0.127 0.000 1.336 165 C CA -0.052 58.884 59.018 -0.136 0.000 1.770 165 C CB -2.076 25.485 27.740 -0.298 0.000 1.929 165 C HN 0.698 nan 8.230 nan 0.000 0.509 166 W N 0.271 121.615 121.300 0.074 0.000 2.436 166 W HA 0.055 4.699 4.660 -0.027 0.000 0.284 166 W C 2.918 179.455 176.519 0.029 0.000 1.225 166 W CA 1.054 58.432 57.345 0.056 0.000 1.271 166 W CB -0.650 28.790 29.460 -0.033 0.000 1.114 166 W HN 0.462 nan 8.180 nan 0.000 0.559 167 H N 0.620 119.824 119.070 0.223 0.000 2.389 167 H HA -0.074 4.466 4.556 -0.028 0.000 0.299 167 H C 1.836 177.143 175.328 -0.036 0.000 1.081 167 H CA 1.416 57.524 56.048 0.101 0.000 1.345 167 H CB -0.114 29.682 29.762 0.057 0.000 1.393 167 H HN 0.258 nan 8.280 nan 0.000 0.520 168 K N 0.442 120.829 120.400 -0.022 0.000 2.026 168 K HA -0.144 4.159 4.320 -0.027 0.000 0.208 168 K C 2.153 178.524 176.600 -0.382 0.000 1.048 168 K CA 1.272 57.280 56.287 -0.465 0.000 0.929 168 K CB -0.390 31.836 32.500 -0.458 0.000 0.713 168 K HN 0.105 nan 8.250 nan 0.000 0.439 169 F N 2.200 122.111 119.950 -0.065 0.000 2.065 169 F HA -0.269 4.242 4.527 -0.028 0.000 0.298 169 F C 2.298 178.281 175.800 0.306 0.000 1.112 169 F CA 1.666 59.818 58.000 0.254 0.000 1.212 169 F CB -0.603 38.465 39.000 0.114 0.000 0.975 169 F HN 0.007 nan 8.300 nan 0.000 0.476 170 A N 0.398 123.267 122.820 0.082 0.000 1.892 170 A HA -0.270 4.033 4.320 -0.027 0.000 0.218 170 A C 2.288 179.829 177.584 -0.071 0.000 1.188 170 A CA 2.126 54.136 52.037 -0.046 0.000 0.631 170 A CB -0.964 18.091 19.000 0.092 0.000 0.822 170 A HN 0.498 nan 8.150 nan 0.000 0.447 171 R N -1.776 118.687 120.500 -0.063 0.000 2.081 171 R HA -0.142 4.182 4.340 -0.027 0.000 0.235 171 R C 1.844 178.170 176.300 0.045 0.000 1.131 171 R CA 1.803 57.883 56.100 -0.034 0.000 0.960 171 R CB -0.468 29.802 30.300 -0.049 0.000 0.856 171 R HN 0.592 nan 8.270 nan 0.000 0.436 172 Y N -1.969 118.281 120.300 -0.083 0.000 2.337 172 Y HA -0.066 4.467 4.550 -0.028 0.000 0.293 172 Y C 1.281 176.936 175.900 -0.408 0.000 1.123 172 Y CA 0.087 57.998 58.100 -0.314 0.000 1.201 172 Y CB -0.167 37.966 38.460 -0.545 0.000 1.011 172 Y HN 0.178 nan 8.280 nan 0.000 0.545 173 W N 0.440 121.678 121.300 -0.103 0.000 2.966 173 W HA 0.192 4.836 4.660 -0.028 0.000 0.406 173 W C -0.370 176.060 176.519 -0.149 0.000 1.027 173 W CA -0.112 57.150 57.345 -0.139 0.000 1.930 173 W CB 0.148 29.432 29.460 -0.293 0.000 1.144 173 W HN 0.064 nan 8.180 nan 0.000 0.626 174 D N 0.643 121.055 120.400 0.020 0.000 2.746 174 D HA -0.142 4.482 4.640 -0.027 0.000 0.236 174 D C -0.515 175.782 176.300 -0.005 0.000 1.129 174 D CA 0.791 54.799 54.000 0.013 0.000 0.691 174 D CB -1.501 39.319 40.800 0.034 0.000 1.077 174 D HN -0.142 nan 8.370 nan 0.000 0.432 175 V N 0.703 120.588 119.914 -0.049 0.000 2.448 175 V HA 0.216 4.319 4.120 -0.027 0.000 0.295 175 V C 0.619 176.698 176.094 -0.024 0.000 1.025 175 V CA -0.855 61.415 62.300 -0.050 0.000 0.859 175 V CB 2.120 33.910 31.823 -0.055 0.000 0.988 175 V HN 0.119 nan 8.190 nan 0.000 0.431 176 E N 4.835 125.017 120.200 -0.029 0.000 2.290 176 E HA 0.166 4.499 4.350 -0.027 0.000 0.277 176 E C -0.905 175.688 176.600 -0.013 0.000 1.035 176 E CA -0.471 55.919 56.400 -0.015 0.000 0.873 176 E CB 0.909 30.597 29.700 -0.019 0.000 1.029 176 E HN 0.535 nan 8.360 nan 0.000 0.419 177 L N 6.376 127.599 121.223 -0.001 0.000 2.283 177 L HA 0.220 4.544 4.340 -0.027 0.000 0.287 177 L C -0.008 176.846 176.870 -0.027 0.000 1.073 177 L CA -0.090 54.741 54.840 -0.015 0.000 0.822 177 L CB 0.375 42.415 42.059 -0.031 0.000 1.186 177 L HN 0.653 nan 8.230 nan 0.000 0.436 178 R N 4.028 124.502 120.500 -0.044 0.000 3.171 178 R HA 0.117 4.441 4.340 -0.027 0.000 0.241 178 R C -0.088 176.181 176.300 -0.051 0.000 1.421 178 R CA -0.234 55.841 56.100 -0.042 0.000 1.444 178 R CB 0.267 30.537 30.300 -0.050 0.000 1.247 178 R HN 0.544 nan 8.270 nan 0.000 0.636 179 E N 2.472 122.650 120.200 -0.036 0.000 2.265 179 E HA 0.001 4.335 4.350 -0.027 0.000 0.272 179 E C -0.440 176.148 176.600 -0.021 0.000 1.067 179 E CA -0.517 55.865 56.400 -0.031 0.000 0.900 179 E CB 0.520 30.223 29.700 0.006 0.000 1.017 179 E HN 0.246 nan 8.360 nan 0.000 0.431 180 I N 8.575 129.128 120.570 -0.028 0.000 2.587 180 I HA 0.053 4.206 4.170 -0.027 0.000 0.284 180 I C -1.881 174.223 176.117 -0.022 0.000 1.134 180 I CA -1.676 59.611 61.300 -0.023 0.000 1.410 180 I CB 0.511 38.500 38.000 -0.020 0.000 1.392 180 I HN 0.505 nan 8.210 nan 0.000 0.545 181 P HA 0.147 nan 4.420 nan 0.000 0.275 181 P C -0.397 176.860 177.300 -0.073 0.000 1.228 181 P CA -0.476 62.600 63.100 -0.040 0.000 0.786 181 P CB 0.592 32.273 31.700 -0.032 0.000 0.927 182 M N 2.916 122.448 119.600 -0.113 0.000 2.248 182 M HA 0.198 4.661 4.480 -0.027 0.000 0.337 182 M C 0.940 177.160 176.300 -0.134 0.000 1.121 182 M CA 0.853 56.050 55.300 -0.172 0.000 1.155 182 M CB 0.222 32.681 32.600 -0.235 0.000 1.514 182 M HN 0.452 nan 8.290 nan 0.000 0.452 183 R N 1.598 122.013 120.500 -0.142 0.000 2.690 183 R HA 0.576 4.900 4.340 -0.027 0.000 0.269 183 R C -3.232 173.006 176.300 -0.104 0.000 1.037 183 R CA -1.784 54.255 56.100 -0.102 0.000 0.877 183 R CB 0.101 30.360 30.300 -0.067 0.000 1.255 183 R HN 0.210 nan 8.270 nan 0.000 0.467 184 P HA 0.039 nan 4.420 nan 0.000 0.264 184 P C 0.644 177.912 177.300 -0.054 0.000 1.183 184 P CA 1.744 64.804 63.100 -0.066 0.000 0.763 184 P CB 0.675 32.347 31.700 -0.045 0.000 0.807 185 G N 2.083 110.854 108.800 -0.048 0.000 2.196 185 G HA2 -0.320 3.623 3.960 -0.027 0.000 0.268 185 G HA3 -0.320 3.623 3.960 -0.027 0.000 0.268 185 G C 0.256 175.140 174.900 -0.026 0.000 0.975 185 G CA 0.503 45.590 45.100 -0.022 0.000 0.648 185 G HN 0.644 nan 8.290 nan 0.000 0.538 186 Q N -0.738 119.020 119.800 -0.070 0.000 3.147 186 Q HA 0.617 4.941 4.340 -0.027 0.000 0.224 186 Q C 1.007 176.891 176.000 -0.193 0.000 0.901 186 Q CA -0.495 55.263 55.803 -0.075 0.000 0.729 186 Q CB 0.389 29.107 28.738 -0.032 0.000 1.363 186 Q HN 0.244 nan 8.270 nan 0.000 0.467 187 L N 1.919 122.898 121.223 -0.407 0.000 2.529 187 L HA 0.312 4.635 4.340 -0.027 0.000 0.223 187 L C -0.397 175.950 176.870 -0.871 0.000 1.113 187 L CA 0.441 54.800 54.840 -0.802 0.000 0.861 187 L CB 0.278 41.577 42.059 -1.266 0.000 1.012 187 L HN 0.374 nan 8.230 nan 0.000 0.461 188 F N -1.264 118.703 119.950 0.027 0.000 2.577 188 F HA 0.385 4.896 4.527 -0.028 0.000 0.318 188 F C 0.295 176.112 175.800 0.028 0.000 1.065 188 F CA -1.398 56.624 58.000 0.036 0.000 0.929 188 F CB 1.289 40.327 39.000 0.063 0.000 1.237 188 F HN -0.290 nan 8.300 nan 0.000 0.468 189 M N 4.253 123.985 119.600 0.220 0.000 2.356 189 M HA 0.087 4.551 4.480 -0.027 0.000 0.348 189 M C -0.538 175.834 176.300 0.120 0.000 1.595 189 M CA 0.264 55.630 55.300 0.110 0.000 1.095 189 M CB -0.232 32.404 32.600 0.060 0.000 1.963 189 M HN 0.702 nan 8.290 nan 0.000 0.459 190 D N 5.574 126.026 120.400 0.086 0.000 2.326 190 D HA 0.381 5.004 4.640 -0.027 0.000 0.251 190 D C -2.595 173.728 176.300 0.038 0.000 1.023 190 D CA -1.757 52.290 54.000 0.079 0.000 0.966 190 D CB 0.885 41.729 40.800 0.073 0.000 1.156 190 D HN 0.269 nan 8.370 nan 0.000 0.494 191 P HA -0.137 nan 4.420 nan 0.000 0.216 191 P C 1.483 178.779 177.300 -0.006 0.000 1.153 191 P CA 1.401 64.507 63.100 0.009 0.000 0.848 191 P CB 0.217 31.930 31.700 0.021 0.000 0.787 192 K N 0.029 120.433 120.400 0.007 0.000 2.002 192 K HA -0.153 4.151 4.320 -0.027 0.000 0.209 192 K C 2.227 178.820 176.600 -0.012 0.000 1.048 192 K CA 1.446 57.735 56.287 0.003 0.000 0.930 192 K CB -0.184 32.324 32.500 0.013 0.000 0.714 192 K HN -0.043 nan 8.250 nan 0.000 0.438 193 R N 0.207 120.701 120.500 -0.009 0.000 2.092 193 R HA -0.091 4.233 4.340 -0.027 0.000 0.231 193 R C 2.445 178.719 176.300 -0.042 0.000 1.119 193 R CA 1.404 57.493 56.100 -0.018 0.000 0.970 193 R CB -0.285 30.010 30.300 -0.009 0.000 0.864 193 R HN 0.364 nan 8.270 nan 0.000 0.440 194 M N 0.729 120.299 119.600 -0.050 0.000 2.073 194 M HA -0.228 4.236 4.480 -0.027 0.000 0.258 194 M C 1.907 178.118 176.300 -0.149 0.000 1.070 194 M CA 1.809 57.056 55.300 -0.089 0.000 1.103 194 M CB -0.029 32.520 32.600 -0.084 0.000 1.321 194 M HN 0.081 nan 8.290 nan 0.000 0.405 195 I N 0.284 120.761 120.570 -0.154 0.000 2.315 195 I HA -0.247 3.906 4.170 -0.027 0.000 0.248 195 I C 2.056 178.070 176.117 -0.172 0.000 1.117 195 I CA 1.535 62.685 61.300 -0.250 0.000 1.404 195 I CB -1.360 36.553 38.000 -0.145 0.000 1.071 195 I HN 0.437 nan 8.210 nan 0.000 0.419 196 E N 0.606 120.763 120.200 -0.073 0.000 2.267 196 E HA -0.178 4.156 4.350 -0.027 0.000 0.197 196 E C 2.003 178.580 176.600 -0.038 0.000 0.998 196 E CA 1.195 57.579 56.400 -0.026 0.000 0.830 196 E CB 0.042 29.735 29.700 -0.010 0.000 0.751 196 E HN 0.484 nan 8.360 nan 0.000 0.491 197 A N -0.222 122.550 122.820 -0.081 0.000 2.169 197 A HA 0.077 4.381 4.320 -0.027 0.000 0.210 197 A C 0.915 178.442 177.584 -0.096 0.000 1.168 197 A CA -0.217 51.776 52.037 -0.073 0.000 0.813 197 A CB 0.286 19.241 19.000 -0.075 0.000 0.861 197 A HN 0.180 nan 8.150 nan 0.000 0.481 198 C N 1.634 120.824 119.300 -0.183 0.000 2.539 198 C HA 0.595 5.039 4.460 -0.027 0.000 0.392 198 C C 0.083 175.058 174.990 -0.024 0.000 1.269 198 C CA 0.018 58.903 59.018 -0.222 0.000 2.250 198 C CB 0.313 27.689 27.740 -0.605 0.000 2.584 198 C HN 0.779 nan 8.230 nan 0.000 0.589 199 D N -0.542 119.909 120.400 0.086 0.000 2.792 199 D HA 0.116 4.739 4.640 -0.027 0.000 0.335 199 D C -0.000 176.429 176.300 0.215 0.000 1.353 199 D CA -0.678 53.447 54.000 0.210 0.000 0.839 199 D CB 0.084 40.967 40.800 0.139 0.000 1.396 199 D HN 0.458 nan 8.370 nan 0.000 0.479 200 E N -0.572 119.758 120.200 0.218 0.000 2.396 200 E HA -0.063 4.270 4.350 -0.027 0.000 0.200 200 E C 0.596 177.433 176.600 0.395 0.000 1.023 200 E CA 0.923 57.475 56.400 0.253 0.000 0.857 200 E CB -0.356 29.455 29.700 0.185 0.000 0.775 200 E HN 0.291 nan 8.360 nan 0.000 0.525 201 N N 0.217 119.089 118.700 0.287 0.000 2.187 201 N HA 0.033 4.756 4.740 -0.027 0.000 0.212 201 N C -0.568 174.795 175.510 -0.244 0.000 1.152 201 N CA 0.168 53.366 53.050 0.247 0.000 0.872 201 N CB 0.979 39.564 38.487 0.162 0.000 1.025 201 N HN -0.017 nan 8.380 nan 0.000 0.514 202 T N 1.913 116.405 114.554 -0.104 0.000 2.779 202 T HA 0.177 4.511 4.350 -0.027 0.000 0.296 202 T C 1.910 176.431 174.700 -0.297 0.000 0.938 202 T CA -0.306 61.675 62.100 -0.199 0.000 1.119 202 T CB 0.648 69.471 68.868 -0.076 0.000 0.891 202 T HN 0.222 nan 8.240 nan 0.000 0.526 203 I N 0.791 121.100 120.570 -0.434 0.000 3.226 203 I HA 0.483 4.636 4.170 -0.027 0.000 0.277 203 I C 0.927 177.026 176.117 -0.030 0.000 1.243 203 I CA -0.046 61.063 61.300 -0.318 0.000 1.459 203 I CB 0.063 37.892 38.000 -0.286 0.000 1.093 203 I HN 0.649 nan 8.210 nan 0.000 0.453 204 G N 0.189 108.953 108.800 -0.060 0.000 2.338 204 G HA2 0.448 4.391 3.960 -0.027 0.000 0.295 204 G HA3 0.448 4.391 3.960 -0.027 0.000 0.295 204 G C -1.770 173.079 174.900 -0.085 0.000 1.461 204 G CA -0.491 44.594 45.100 -0.024 0.000 0.817 204 G HN -0.086 nan 8.290 nan 0.000 0.556 205 V N -0.112 119.751 119.914 -0.085 0.000 2.555 205 V HA 0.650 4.754 4.120 -0.027 0.000 0.302 205 V C -0.187 175.812 176.094 -0.158 0.000 1.038 205 V CA -0.715 61.508 62.300 -0.128 0.000 0.887 205 V CB 1.796 33.556 31.823 -0.106 0.000 0.991 205 V HN 0.723 nan 8.190 nan 0.000 0.434 206 V N 6.645 126.408 119.914 -0.252 0.000 2.266 206 V HA 0.336 4.439 4.120 -0.027 0.000 0.271 206 V C -2.433 173.515 176.094 -0.243 0.000 1.032 206 V CA -1.723 60.379 62.300 -0.330 0.000 0.806 206 V CB 1.325 32.686 31.823 -0.769 0.000 1.052 206 V HN 0.745 nan 8.190 nan 0.000 0.449 207 P HA 0.254 nan 4.420 nan 0.000 0.275 207 P C -0.109 177.157 177.300 -0.058 0.000 1.227 207 P CA 0.017 63.068 63.100 -0.083 0.000 0.781 207 P CB 0.533 32.194 31.700 -0.065 0.000 0.906 208 T N 3.467 118.019 114.554 -0.004 0.000 2.781 208 T HA 0.242 4.575 4.350 -0.027 0.000 0.305 208 T C -0.336 174.412 174.700 0.080 0.000 1.001 208 T CA 0.004 62.133 62.100 0.048 0.000 0.950 208 T CB -0.546 68.372 68.868 0.084 0.000 0.955 208 T HN 0.159 nan 8.240 nan 0.000 0.471 209 F N 3.814 123.673 119.950 -0.152 0.000 2.626 209 F HA 0.511 5.021 4.527 -0.027 0.000 0.353 209 F C 0.978 176.760 175.800 -0.030 0.000 1.230 209 F CA -0.925 56.923 58.000 -0.254 0.000 1.298 209 F CB -0.578 38.090 39.000 -0.553 0.000 1.670 209 F HN 0.786 nan 8.300 nan 0.000 0.633 210 G N 3.062 111.842 108.800 -0.033 0.000 2.403 210 G HA2 0.001 3.945 3.960 -0.027 0.000 0.393 210 G HA3 0.001 3.945 3.960 -0.027 0.000 0.393 210 G C -1.253 173.657 174.900 0.016 0.000 1.106 210 G CA -0.784 44.265 45.100 -0.086 0.000 1.305 210 G HN 0.356 nan 8.290 nan 0.000 0.628 211 V N 2.244 122.168 119.914 0.017 0.000 2.521 211 V HA 0.219 4.322 4.120 -0.027 0.000 0.286 211 V C 2.030 178.246 176.094 0.205 0.000 1.034 211 V CA 1.013 63.407 62.300 0.157 0.000 1.045 211 V CB 0.960 32.947 31.823 0.273 0.000 0.974 211 V HN 0.784 nan 8.190 nan 0.000 0.480 212 T N 3.772 118.410 114.554 0.140 0.000 2.720 212 T HA -0.198 4.136 4.350 -0.027 0.000 0.268 212 T C 1.490 176.243 174.700 0.087 0.000 1.037 212 T CA 2.020 64.126 62.100 0.009 0.000 1.144 212 T CB -0.357 68.323 68.868 -0.313 0.000 0.864 212 T HN 0.693 nan 8.240 nan 0.000 0.444 213 Y N 1.901 122.307 120.300 0.176 0.000 2.181 213 Y HA -0.129 4.405 4.550 -0.027 0.000 0.288 213 Y C 3.020 179.112 175.900 0.320 0.000 1.146 213 Y CA 1.357 59.602 58.100 0.242 0.000 1.164 213 Y CB -0.537 38.063 38.460 0.232 0.000 0.982 213 Y HN 0.406 nan 8.280 nan 0.000 0.515 214 T N -6.403 108.404 114.554 0.422 0.000 2.954 214 T HA 0.465 4.799 4.350 -0.027 0.000 0.252 214 T C 1.670 176.480 174.700 0.184 0.000 0.983 214 T CA 0.423 62.708 62.100 0.308 0.000 0.941 214 T CB 0.528 69.631 68.868 0.391 0.000 1.141 214 T HN 0.392 nan 8.240 nan 0.000 0.500 215 G N 1.864 110.751 108.800 0.145 0.000 2.175 215 G HA2 -0.215 3.729 3.960 -0.027 0.000 0.244 215 G HA3 -0.215 3.729 3.960 -0.027 0.000 0.244 215 G C -0.081 174.697 174.900 -0.203 0.000 0.982 215 G CA -0.173 44.925 45.100 -0.004 0.000 0.641 215 G HN 0.606 nan 8.290 nan 0.000 0.527 216 N N 0.021 118.589 118.700 -0.221 0.000 2.513 216 N HA 0.437 5.161 4.740 -0.027 0.000 0.274 216 N C -0.527 174.640 175.510 -0.572 0.000 1.189 216 N CA -0.016 52.740 53.050 -0.491 0.000 0.975 216 N CB 0.475 38.525 38.487 -0.729 0.000 1.157 216 N HN 0.085 nan 8.380 nan 0.000 0.465 217 Y N 0.740 120.651 120.300 -0.649 0.000 2.304 217 Y HA 0.126 4.659 4.550 -0.028 0.000 0.328 217 Y C 0.845 176.307 175.900 -0.730 0.000 1.123 217 Y CA -0.399 57.238 58.100 -0.771 0.000 1.218 217 Y CB 0.468 38.244 38.460 -1.141 0.000 1.207 217 Y HN 0.307 nan 8.280 nan 0.000 0.495 218 E N 3.482 123.543 120.200 -0.233 0.000 2.152 218 E HA 0.181 4.514 4.350 -0.027 0.000 0.285 218 E C -1.241 175.323 176.600 -0.059 0.000 1.043 218 E CA -0.356 55.979 56.400 -0.108 0.000 0.839 218 E CB 0.446 30.149 29.700 0.005 0.000 1.069 218 E HN 0.344 nan 8.360 nan 0.000 0.399 219 F N 4.612 124.611 119.950 0.080 0.000 2.444 219 F HA 0.167 4.677 4.527 -0.027 0.000 0.360 219 F C -1.363 174.425 175.800 -0.020 0.000 1.106 219 F CA -2.049 55.980 58.000 0.047 0.000 1.170 219 F CB 0.800 39.832 39.000 0.053 0.000 1.113 219 F HN 0.437 nan 8.300 nan 0.000 0.521 220 P HA -0.235 nan 4.420 nan 0.000 0.216 220 P C 1.646 178.971 177.300 0.041 0.000 1.150 220 P CA 1.265 64.358 63.100 -0.011 0.000 0.837 220 P CB 0.172 31.792 31.700 -0.133 0.000 0.786 221 Q N -0.376 119.450 119.800 0.043 0.000 1.948 221 Q HA -0.149 4.174 4.340 -0.027 0.000 0.205 221 Q C -0.641 175.403 176.000 0.074 0.000 0.992 221 Q CA 2.907 58.726 55.803 0.027 0.000 0.849 221 Q CB -1.687 27.042 28.738 -0.015 0.000 0.918 221 Q HN 0.142 nan 8.270 nan 0.000 0.421 222 P HA -0.235 nan 4.420 nan 0.000 0.217 222 P C 1.072 178.410 177.300 0.063 0.000 1.158 222 P CA 1.623 64.756 63.100 0.054 0.000 0.887 222 P CB -0.215 31.518 31.700 0.055 0.000 0.792 223 L N -2.120 119.145 121.223 0.069 0.000 2.042 223 L HA -0.246 4.077 4.340 -0.027 0.000 0.210 223 L C 2.778 179.676 176.870 0.047 0.000 1.076 223 L CA 1.693 56.558 54.840 0.042 0.000 0.749 223 L CB -1.354 40.722 42.059 0.029 0.000 0.893 223 L HN 0.178 nan 8.230 nan 0.000 0.432 224 H N 0.571 119.631 119.070 -0.016 0.000 2.353 224 H HA -0.180 4.359 4.556 -0.027 0.000 0.300 224 H C 1.776 177.105 175.328 0.001 0.000 1.090 224 H CA 1.989 58.028 56.048 -0.016 0.000 1.327 224 H CB 0.154 29.897 29.762 -0.032 0.000 1.383 224 H HN 0.341 nan 8.280 nan 0.000 0.508 225 D N 0.456 120.938 120.400 0.137 0.000 2.104 225 D HA -0.133 4.490 4.640 -0.027 0.000 0.194 225 D C 2.236 178.558 176.300 0.037 0.000 0.994 225 D CA 1.365 55.412 54.000 0.079 0.000 0.830 225 D CB -0.527 40.312 40.800 0.064 0.000 0.959 225 D HN 0.462 nan 8.370 nan 0.000 0.452 226 A N 0.494 123.332 122.820 0.029 0.000 1.972 226 A HA -0.104 4.199 4.320 -0.027 0.000 0.219 226 A C 2.391 179.995 177.584 0.032 0.000 1.169 226 A CA 0.844 52.898 52.037 0.027 0.000 0.635 226 A CB -0.651 18.353 19.000 0.006 0.000 0.810 226 A HN 0.223 nan 8.150 nan 0.000 0.446 227 L N -0.789 120.420 121.223 -0.022 0.000 2.217 227 L HA -0.118 4.205 4.340 -0.027 0.000 0.211 227 L C 1.850 178.730 176.870 0.018 0.000 1.107 227 L CA 0.954 55.783 54.840 -0.018 0.000 0.783 227 L CB -0.528 41.464 42.059 -0.113 0.000 0.919 227 L HN 0.282 nan 8.230 nan 0.000 0.442 228 D N 0.335 120.706 120.400 -0.047 0.000 2.117 228 D HA -0.187 4.436 4.640 -0.027 0.000 0.198 228 D C 2.110 178.432 176.300 0.038 0.000 0.982 228 D CA 1.133 55.121 54.000 -0.019 0.000 0.828 228 D CB 0.064 40.855 40.800 -0.016 0.000 0.967 228 D HN 0.144 nan 8.370 nan 0.000 0.464 229 K N -0.488 119.948 120.400 0.060 0.000 2.147 229 K HA -0.136 4.167 4.320 -0.027 0.000 0.205 229 K C 2.001 178.659 176.600 0.097 0.000 1.049 229 K CA 0.591 56.918 56.287 0.067 0.000 0.936 229 K CB -0.180 32.363 32.500 0.072 0.000 0.722 229 K HN 0.025 nan 8.250 nan 0.000 0.446 230 F N 1.689 121.628 119.950 -0.019 0.000 2.234 230 F HA -0.130 4.380 4.527 -0.027 0.000 0.299 230 F C 2.374 178.169 175.800 -0.008 0.000 1.087 230 F CA 1.411 59.404 58.000 -0.012 0.000 1.340 230 F CB -0.054 38.938 39.000 -0.014 0.000 1.031 230 F HN 0.108 nan 8.300 nan 0.000 0.500 231 Q N -0.190 119.637 119.800 0.045 0.000 2.172 231 Q HA -0.096 4.227 4.340 -0.027 0.000 0.200 231 Q C 2.197 178.151 176.000 -0.078 0.000 0.964 231 Q CA 1.183 56.966 55.803 -0.034 0.000 0.855 231 Q CB -0.191 28.561 28.738 0.024 0.000 0.918 231 Q HN 0.451 nan 8.270 nan 0.000 0.444 232 A N 0.672 123.462 122.820 -0.049 0.000 1.970 232 A HA -0.139 4.165 4.320 -0.027 0.000 0.216 232 A C 1.491 179.027 177.584 -0.079 0.000 1.170 232 A CA 1.427 53.435 52.037 -0.048 0.000 0.645 232 A CB -0.213 18.775 19.000 -0.020 0.000 0.816 232 A HN 0.383 nan 8.150 nan 0.000 0.447 233 D N -0.522 119.809 120.400 -0.115 0.000 2.123 233 D HA -0.081 4.542 4.640 -0.027 0.000 0.200 233 D C 2.034 178.214 176.300 -0.201 0.000 0.976 233 D CA 2.171 56.088 54.000 -0.139 0.000 0.831 233 D CB -0.299 40.425 40.800 -0.127 0.000 0.974 233 D HN 0.606 nan 8.370 nan 0.000 0.469 234 T N -4.607 109.747 114.554 -0.333 0.000 2.975 234 T HA 0.408 4.741 4.350 -0.027 0.000 0.257 234 T C 1.661 176.226 174.700 -0.226 0.000 1.003 234 T CA 0.766 62.663 62.100 -0.338 0.000 0.932 234 T CB 1.078 69.574 68.868 -0.620 0.000 1.087 234 T HN 0.189 nan 8.240 nan 0.000 0.512 235 G N 1.836 110.525 108.800 -0.185 0.000 2.225 235 G HA2 -0.219 3.724 3.960 -0.027 0.000 0.254 235 G HA3 -0.219 3.724 3.960 -0.027 0.000 0.254 235 G C 0.068 174.933 174.900 -0.058 0.000 0.988 235 G CA 0.063 45.107 45.100 -0.094 0.000 0.625 235 G HN 0.669 nan 8.290 nan 0.000 0.527 236 I N 1.853 122.373 120.570 -0.082 0.000 2.533 236 I HA 0.236 4.389 4.170 -0.027 0.000 0.284 236 I C -0.167 176.024 176.117 0.123 0.000 1.109 236 I CA -0.078 61.251 61.300 0.049 0.000 1.412 236 I CB 0.794 38.874 38.000 0.132 0.000 1.396 236 I HN 0.003 nan 8.210 nan 0.000 0.543 237 D N 8.412 128.887 120.400 0.125 0.000 2.427 237 D HA 0.409 5.033 4.640 -0.027 0.000 0.226 237 D C -0.491 175.893 176.300 0.141 0.000 1.076 237 D CA -0.308 53.760 54.000 0.114 0.000 0.849 237 D CB 0.765 41.613 40.800 0.080 0.000 1.052 237 D HN 0.262 nan 8.370 nan 0.000 0.515 238 I N 2.960 123.608 120.570 0.130 0.000 2.336 238 I HA 0.201 4.354 4.170 -0.027 0.000 0.292 238 I C 0.410 176.564 176.117 0.061 0.000 0.991 238 I CA -0.872 60.489 61.300 0.102 0.000 1.227 238 I CB 1.462 39.502 38.000 0.067 0.000 1.366 238 I HN 0.128 nan 8.210 nan 0.000 0.466 239 D N 6.381 126.834 120.400 0.089 0.000 2.383 239 D HA 0.527 5.151 4.640 -0.027 0.000 0.248 239 D C -0.217 176.120 176.300 0.061 0.000 1.170 239 D CA -0.023 54.033 54.000 0.094 0.000 0.977 239 D CB 1.275 42.163 40.800 0.146 0.000 1.120 239 D HN 0.311 nan 8.370 nan 0.000 0.481 240 M N 0.113 119.754 119.600 0.068 0.000 2.530 240 M HA 0.299 4.762 4.480 -0.027 0.000 0.307 240 M C -0.847 175.491 176.300 0.063 0.000 1.161 240 M CA -0.749 54.570 55.300 0.031 0.000 0.903 240 M CB 2.529 35.130 32.600 0.001 0.000 1.711 240 M HN 0.331 nan 8.290 nan 0.000 0.451 241 H N 2.065 121.094 119.070 -0.068 0.000 2.529 241 H HA 0.539 5.078 4.556 -0.028 0.000 0.348 241 H C -1.546 173.705 175.328 -0.129 0.000 1.079 241 H CA -0.694 55.309 56.048 -0.076 0.000 1.198 241 H CB 1.101 30.854 29.762 -0.016 0.000 1.521 241 H HN 0.500 nan 8.280 nan 0.000 0.514 242 I N 4.252 124.473 120.570 -0.582 0.000 2.304 242 I HA 0.084 4.237 4.170 -0.027 0.000 0.291 242 I C 0.181 176.110 176.117 -0.312 0.000 1.018 242 I CA -0.490 60.586 61.300 -0.373 0.000 1.260 242 I CB 0.829 38.611 38.000 -0.364 0.000 1.390 242 I HN 0.735 nan 8.210 nan 0.000 0.475 243 D N 6.627 127.039 120.400 0.020 0.000 2.435 243 D HA 0.304 4.928 4.640 -0.027 0.000 0.230 243 D C 0.401 176.742 176.300 0.069 0.000 1.215 243 D CA -0.126 53.991 54.000 0.194 0.000 0.947 243 D CB 0.775 41.800 40.800 0.376 0.000 1.048 243 D HN 0.615 nan 8.370 nan 0.000 0.512 244 A N 3.359 126.162 122.820 -0.028 0.000 2.842 244 A HA 0.515 4.819 4.320 -0.027 0.000 0.298 244 A C 1.765 179.372 177.584 0.038 0.000 1.293 244 A CA 0.252 52.243 52.037 -0.076 0.000 0.959 244 A CB -0.084 18.718 19.000 -0.331 0.000 1.119 244 A HN 0.540 nan 8.150 nan 0.000 0.564 245 A N 0.675 123.563 122.820 0.113 0.000 1.915 245 A HA -0.239 4.065 4.320 -0.027 0.000 0.220 245 A C 2.434 180.180 177.584 0.271 0.000 1.198 245 A CA 2.857 54.999 52.037 0.174 0.000 0.647 245 A CB -0.517 18.550 19.000 0.111 0.000 0.825 245 A HN 1.279 nan 8.150 nan 0.000 0.456 246 S N -2.663 113.186 115.700 0.248 0.000 2.641 246 S HA 0.282 4.736 4.470 -0.027 0.000 0.239 246 S C 2.064 176.811 174.600 0.245 0.000 1.081 246 S CA 0.984 59.429 58.200 0.409 0.000 0.904 246 S CB -0.884 62.630 63.200 0.523 0.000 0.803 246 S HN 0.759 nan 8.310 nan 0.000 0.510 247 G N 1.445 110.240 108.800 -0.008 0.000 2.479 247 G HA2 0.081 4.025 3.960 -0.027 0.000 0.220 247 G HA3 0.081 4.025 3.960 -0.027 0.000 0.220 247 G C 1.351 176.096 174.900 -0.259 0.000 1.115 247 G CA 0.685 45.619 45.100 -0.277 0.000 0.757 247 G HN 0.679 nan 8.290 nan 0.000 0.560 248 G N -0.038 108.687 108.800 -0.124 0.000 2.470 248 G HA2 -0.047 3.897 3.960 -0.027 0.000 0.220 248 G HA3 -0.047 3.897 3.960 -0.027 0.000 0.220 248 G C 1.003 175.922 174.900 0.032 0.000 1.121 248 G CA 0.283 45.308 45.100 -0.124 0.000 0.766 248 G HN 0.388 nan 8.290 nan 0.000 0.553 249 F N -0.505 119.685 119.950 0.400 0.000 2.668 249 F HA 0.490 5.001 4.527 -0.025 0.000 0.301 249 F C 1.504 177.629 175.800 0.541 0.000 1.106 249 F CA -0.287 58.010 58.000 0.494 0.000 1.289 249 F CB 0.513 39.853 39.000 0.566 0.000 1.006 249 F HN -0.010 nan 8.300 nan 0.000 0.535 250 L N -1.296 120.172 121.223 0.409 0.000 2.777 250 L HA 0.306 4.630 4.340 -0.027 0.000 0.172 250 L C 2.519 179.566 176.870 0.295 0.000 1.179 250 L CA 0.810 55.880 54.840 0.383 0.000 0.859 250 L CB -1.055 41.096 42.059 0.153 0.000 1.269 250 L HN -0.033 nan 8.230 nan 0.000 0.511 251 A N 1.110 123.995 122.820 0.108 0.000 1.915 251 A HA -0.183 4.120 4.320 -0.027 0.000 0.220 251 A C -0.351 177.315 177.584 0.138 0.000 1.198 251 A CA 2.395 54.486 52.037 0.090 0.000 0.647 251 A CB -2.090 16.859 19.000 -0.084 0.000 0.825 251 A HN 0.283 nan 8.150 nan 0.000 0.456 252 P HA -0.117 nan 4.420 nan 0.000 0.219 252 P C 0.722 177.851 177.300 -0.286 0.000 1.146 252 P CA 1.156 64.152 63.100 -0.173 0.000 0.808 252 P CB -0.129 31.249 31.700 -0.537 0.000 0.779 253 F N -1.716 118.347 119.950 0.188 0.000 2.453 253 F HA 0.049 4.561 4.527 -0.026 0.000 0.284 253 F C 2.077 177.959 175.800 0.136 0.000 1.065 253 F CA 0.457 58.554 58.000 0.162 0.000 1.411 253 F CB -1.179 37.947 39.000 0.210 0.000 1.131 253 F HN -0.262 nan 8.300 nan 0.000 0.582 254 V N -2.517 117.580 119.914 0.304 0.000 3.644 254 V HA 0.610 4.714 4.120 -0.027 0.000 0.267 254 V C 0.672 176.809 176.094 0.072 0.000 1.277 254 V CA 0.562 62.955 62.300 0.155 0.000 1.096 254 V CB -0.164 31.708 31.823 0.083 0.000 0.828 254 V HN 0.133 nan 8.190 nan 0.000 0.446 255 A N 0.982 123.866 122.820 0.107 0.000 3.410 255 A HA 0.673 4.976 4.320 -0.027 0.000 0.276 255 A C -1.579 176.089 177.584 0.140 0.000 0.995 255 A CA -0.629 51.469 52.037 0.103 0.000 0.934 255 A CB 0.304 19.371 19.000 0.112 0.000 1.191 255 A HN 0.331 nan 8.150 nan 0.000 0.511 256 P HA -0.120 nan 4.420 nan 0.000 0.225 256 P C 0.368 177.735 177.300 0.111 0.000 1.148 256 P CA 1.147 64.324 63.100 0.128 0.000 0.779 256 P CB 0.269 32.029 31.700 0.101 0.000 0.780 257 D N -0.418 120.036 120.400 0.090 0.000 2.333 257 D HA 0.038 4.661 4.640 -0.027 0.000 0.208 257 D C 1.080 177.419 176.300 0.066 0.000 0.984 257 D CA 0.195 54.226 54.000 0.053 0.000 0.873 257 D CB 0.092 40.914 40.800 0.037 0.000 0.935 257 D HN 0.259 nan 8.370 nan 0.000 0.521 258 I N 2.176 122.833 120.570 0.144 0.000 2.662 258 I HA -0.062 4.091 4.170 -0.027 0.000 0.285 258 I C 0.156 176.370 176.117 0.163 0.000 1.161 258 I CA -0.011 61.408 61.300 0.198 0.000 1.415 258 I CB 0.795 38.983 38.000 0.312 0.000 1.385 258 I HN -0.331 nan 8.210 nan 0.000 0.552 259 V N 8.338 128.274 119.914 0.036 0.000 2.353 259 V HA 0.103 4.207 4.120 -0.027 0.000 0.264 259 V C 0.542 176.549 176.094 -0.145 0.000 1.049 259 V CA -0.081 62.148 62.300 -0.117 0.000 0.896 259 V CB 0.293 32.019 31.823 -0.161 0.000 1.025 259 V HN 0.939 nan 8.190 nan 0.000 0.475 260 W N 3.840 124.893 121.300 -0.411 0.000 2.355 260 W HA 0.282 4.926 4.660 -0.028 0.000 0.303 260 W C -0.147 175.988 176.519 -0.639 0.000 0.939 260 W CA 0.129 57.084 57.345 -0.650 0.000 1.377 260 W CB -0.000 28.703 29.460 -1.262 0.000 1.048 260 W HN 0.633 nan 8.180 nan 0.000 0.542 261 D N 0.427 120.068 120.400 -1.264 0.000 2.602 261 D HA 0.232 4.856 4.640 -0.027 0.000 0.228 261 D C 0.779 176.597 176.300 -0.803 0.000 1.202 261 D CA -0.638 52.449 54.000 -1.522 0.000 1.084 261 D CB -0.436 39.155 40.800 -2.016 0.000 1.204 261 D HN -0.256 nan 8.370 nan 0.000 0.629 262 F N -0.074 119.593 119.950 -0.471 0.000 2.546 262 F HA 0.138 4.648 4.527 -0.028 0.000 0.298 262 F C 2.350 178.010 175.800 -0.233 0.000 1.120 262 F CA 0.423 58.269 58.000 -0.257 0.000 1.456 262 F CB -0.465 38.457 39.000 -0.130 0.000 1.088 262 F HN 0.056 nan 8.300 nan 0.000 0.572 263 R N 0.044 120.447 120.500 -0.161 0.000 2.139 263 R HA -0.112 4.211 4.340 -0.027 0.000 0.243 263 R C 0.482 176.645 176.300 -0.228 0.000 1.145 263 R CA 0.645 56.611 56.100 -0.223 0.000 0.976 263 R CB -0.503 29.576 30.300 -0.367 0.000 0.866 263 R HN 0.220 nan 8.270 nan 0.000 0.449 264 L N 2.615 123.656 121.223 -0.303 0.000 2.369 264 L HA 0.101 4.425 4.340 -0.027 0.000 0.279 264 L C -1.369 175.407 176.870 -0.156 0.000 1.108 264 L CA -1.597 52.989 54.840 -0.423 0.000 0.852 264 L CB 0.932 42.633 42.059 -0.597 0.000 1.169 264 L HN -0.058 nan 8.230 nan 0.000 0.452 265 P HA -0.142 nan 4.420 nan 0.000 0.220 265 P C 1.124 178.566 177.300 0.238 0.000 1.148 265 P CA 1.263 64.448 63.100 0.142 0.000 0.803 265 P CB 0.147 31.933 31.700 0.142 0.000 0.782 266 R N -0.564 120.209 120.500 0.455 0.000 2.240 266 R HA 0.092 4.416 4.340 -0.027 0.000 0.203 266 R C 0.405 176.809 176.300 0.174 0.000 1.011 266 R CA 0.078 56.323 56.100 0.241 0.000 1.007 266 R CB -0.265 30.071 30.300 0.060 0.000 0.911 266 R HN 0.056 nan 8.270 nan 0.000 0.468 267 V N 2.608 122.604 119.914 0.137 0.000 2.409 267 V HA -0.042 4.062 4.120 -0.027 0.000 0.270 267 V C 0.828 177.033 176.094 0.185 0.000 1.019 267 V CA 0.708 63.026 62.300 0.031 0.000 1.066 267 V CB 0.901 32.609 31.823 -0.191 0.000 1.021 267 V HN 0.068 nan 8.190 nan 0.000 0.476 268 K N 2.669 123.196 120.400 0.212 0.000 2.323 268 K HA 0.148 4.451 4.320 -0.027 0.000 0.197 268 K C 0.618 177.489 176.600 0.451 0.000 1.043 268 K CA 0.500 56.992 56.287 0.341 0.000 0.997 268 K CB 0.399 33.088 32.500 0.315 0.000 0.807 268 K HN 0.860 nan 8.250 nan 0.000 0.497 269 S N -1.127 114.708 115.700 0.225 0.000 2.552 269 S HA 0.630 5.083 4.470 -0.027 0.000 0.272 269 S C -0.928 173.391 174.600 -0.468 0.000 1.150 269 S CA -1.103 57.105 58.200 0.014 0.000 0.849 269 S CB 1.163 64.219 63.200 -0.239 0.000 1.113 269 S HN -0.043 nan 8.310 nan 0.000 0.458 270 I N 1.689 121.961 120.570 -0.496 0.000 2.865 270 I HA 0.724 4.877 4.170 -0.027 0.000 0.302 270 I C -0.520 175.389 176.117 -0.348 0.000 1.140 270 I CA -0.624 60.230 61.300 -0.743 0.000 1.021 270 I CB 2.665 40.030 38.000 -1.059 0.000 1.233 270 I HN 0.985 nan 8.210 nan 0.000 0.427 271 S N 3.128 118.656 115.700 -0.287 0.000 2.564 271 S HA 0.991 5.444 4.470 -0.027 0.000 0.274 271 S C -0.977 173.709 174.600 0.143 0.000 1.124 271 S CA -0.668 57.591 58.200 0.099 0.000 0.869 271 S CB 2.507 65.829 63.200 0.204 0.000 1.105 271 S HN 1.022 nan 8.310 nan 0.000 0.472 272 A N 0.915 123.966 122.820 0.384 0.000 2.610 272 A HA 0.818 5.121 4.320 -0.027 0.000 0.291 272 A C -0.785 177.064 177.584 0.441 0.000 1.086 272 A CA -0.807 51.496 52.037 0.443 0.000 0.677 272 A CB 1.296 20.686 19.000 0.650 0.000 1.278 272 A HN 0.868 nan 8.150 nan 0.000 0.414 273 S N 0.379 116.302 115.700 0.370 0.000 2.422 273 S HA 0.441 4.894 4.470 -0.027 0.000 0.298 273 S C 1.416 176.131 174.600 0.191 0.000 1.118 273 S CA 0.148 58.400 58.200 0.087 0.000 1.083 273 S CB 1.229 64.431 63.200 0.003 0.000 0.971 273 S HN 1.283 nan 8.310 nan 0.000 0.478 274 G N 2.104 110.935 108.800 0.052 0.000 2.432 274 G HA2 -0.195 3.749 3.960 -0.027 0.000 0.219 274 G HA3 -0.195 3.749 3.960 -0.027 0.000 0.219 274 G C 0.959 175.846 174.900 -0.021 0.000 1.135 274 G CA 0.548 45.671 45.100 0.039 0.000 0.767 274 G HN 0.932 nan 8.290 nan 0.000 0.550 275 H N -0.809 118.283 119.070 0.037 0.000 2.524 275 H HA 0.401 4.940 4.556 -0.028 0.000 0.280 275 H C 1.198 176.530 175.328 0.008 0.000 1.018 275 H CA -0.021 56.029 56.048 0.003 0.000 1.165 275 H CB 0.316 30.063 29.762 -0.026 0.000 1.411 275 H HN 0.252 nan 8.280 nan 0.000 0.569 276 K N 0.499 121.009 120.400 0.184 0.000 4.310 276 K HA 0.194 4.498 4.320 -0.027 0.000 0.185 276 K C 0.591 177.159 176.600 -0.054 0.000 1.134 276 K CA -0.506 55.822 56.287 0.068 0.000 1.860 276 K CB 0.063 32.691 32.500 0.213 0.000 2.614 276 K HN -0.013 nan 8.250 nan 0.000 0.570 277 F N 1.571 121.683 119.950 0.270 0.000 2.771 277 F HA 0.039 4.551 4.527 -0.026 0.000 0.299 277 F C 1.867 177.834 175.800 0.279 0.000 1.177 277 F CA 0.484 58.652 58.000 0.280 0.000 1.450 277 F CB -0.390 38.802 39.000 0.320 0.000 1.114 277 F HN 0.480 nan 8.300 nan 0.000 0.587 278 G N -0.290 108.585 108.800 0.126 0.000 2.534 278 G HA2 -0.047 3.897 3.960 -0.027 0.000 0.217 278 G HA3 -0.047 3.897 3.960 -0.027 0.000 0.217 278 G C 1.220 176.149 174.900 0.049 0.000 1.128 278 G CA 0.647 45.538 45.100 -0.347 0.000 0.784 278 G HN 0.480 nan 8.290 nan 0.000 0.542 279 L N -2.352 118.918 121.223 0.079 0.000 5.044 279 L HA -0.196 4.128 4.340 -0.027 0.000 0.412 279 L C 1.378 178.286 176.870 0.063 0.000 0.971 279 L CA -0.028 54.853 54.840 0.068 0.000 1.411 279 L CB -2.308 39.775 42.059 0.039 0.000 1.884 279 L HN 0.390 nan 8.230 nan 0.000 0.631 280 A N 0.900 123.744 122.820 0.041 0.000 2.366 280 A HA 0.633 4.936 4.320 -0.027 0.000 0.249 280 A C -1.713 175.910 177.584 0.065 0.000 1.084 280 A CA -0.559 51.504 52.037 0.043 0.000 0.794 280 A CB -0.008 19.006 19.000 0.024 0.000 1.034 280 A HN 0.129 nan 8.150 nan 0.000 0.491 281 P HA 0.214 nan 4.420 nan 0.000 0.276 281 P C -0.262 177.050 177.300 0.021 0.000 1.252 281 P CA -0.448 62.656 63.100 0.007 0.000 0.802 281 P CB 0.443 32.110 31.700 -0.055 0.000 1.035 282 L N 0.677 121.868 121.223 -0.054 0.000 2.720 282 L HA 0.009 4.332 4.340 -0.027 0.000 0.289 282 L C 1.354 178.183 176.870 -0.068 0.000 1.232 282 L CA 1.615 56.355 54.840 -0.167 0.000 0.915 282 L CB -1.223 40.709 42.059 -0.211 0.000 1.184 282 L HN 0.915 nan 8.230 nan 0.000 0.491 283 G N 2.544 111.385 108.800 0.069 0.000 2.526 283 G HA2 -0.167 3.777 3.960 -0.027 0.000 0.225 283 G HA3 -0.167 3.777 3.960 -0.027 0.000 0.225 283 G C -0.568 174.356 174.900 0.039 0.000 1.120 283 G CA -0.324 44.829 45.100 0.088 0.000 0.904 283 G HN 0.834 nan 8.290 nan 0.000 0.498 284 C N 0.702 120.048 119.300 0.078 0.000 2.817 284 C HA 0.828 5.272 4.460 -0.027 0.000 0.385 284 C C 0.608 175.279 174.990 -0.531 0.000 1.050 284 C CA 0.631 59.463 59.018 -0.311 0.000 1.245 284 C CB 0.506 28.115 27.740 -0.219 0.000 1.706 284 C HN 1.645 nan 8.230 nan 0.000 0.488 285 G N 3.134 111.566 108.800 -0.613 0.000 2.714 285 G HA2 0.837 4.781 3.960 -0.027 0.000 0.292 285 G HA3 0.837 4.781 3.960 -0.027 0.000 0.292 285 G C -1.926 172.569 174.900 -0.675 0.000 1.308 285 G CA -0.634 44.164 45.100 -0.503 0.000 0.964 285 G HN 0.729 nan 8.290 nan 0.000 0.484 286 W N -0.792 120.595 121.300 0.144 0.000 2.915 286 W HA 0.593 5.235 4.660 -0.029 0.000 0.337 286 W C -0.717 175.922 176.519 0.200 0.000 1.102 286 W CA -0.927 56.535 57.345 0.194 0.000 1.224 286 W CB 2.531 32.156 29.460 0.275 0.000 1.416 286 W HN 0.395 nan 8.180 nan 0.000 0.503 287 V N 5.430 125.570 119.914 0.376 0.000 2.760 287 V HA 0.680 4.784 4.120 -0.027 0.000 0.309 287 V C -1.406 174.769 176.094 0.135 0.000 1.077 287 V CA -0.878 61.513 62.300 0.152 0.000 0.910 287 V CB 1.454 33.205 31.823 -0.120 0.000 1.008 287 V HN 0.429 nan 8.190 nan 0.000 0.424 288 I N 5.904 126.531 120.570 0.095 0.000 2.582 288 I HA 0.475 4.629 4.170 -0.027 0.000 0.292 288 I C -0.798 175.400 176.117 0.135 0.000 1.066 288 I CA -0.549 60.913 61.300 0.270 0.000 1.053 288 I CB 2.092 40.417 38.000 0.542 0.000 1.241 288 I HN 0.646 nan 8.210 nan 0.000 0.421 289 W N 4.860 126.362 121.300 0.337 0.000 2.520 289 W HA 0.371 5.014 4.660 -0.028 0.000 0.323 289 W C 1.463 177.949 176.519 -0.055 0.000 1.062 289 W CA -0.581 56.912 57.345 0.247 0.000 1.215 289 W CB 1.908 31.482 29.460 0.191 0.000 1.340 289 W HN 0.697 nan 8.180 nan 0.000 0.516 290 R N 1.158 121.677 120.500 0.031 0.000 2.140 290 R HA -0.249 4.074 4.340 -0.027 0.000 0.250 290 R C -0.268 175.920 176.300 -0.187 0.000 1.150 290 R CA 2.580 58.432 56.100 -0.414 0.000 0.966 290 R CB 0.001 30.264 30.300 -0.061 0.000 0.869 290 R HN 0.662 nan 8.270 nan 0.000 0.445 291 D N -4.052 116.363 120.400 0.026 0.000 2.769 291 D HA 0.029 4.653 4.640 -0.027 0.000 0.309 291 D C -0.021 176.310 176.300 0.052 0.000 1.315 291 D CA -0.655 53.357 54.000 0.021 0.000 0.780 291 D CB 0.146 40.940 40.800 -0.011 0.000 1.312 291 D HN -0.143 nan 8.370 nan 0.000 0.437 292 E N 0.201 120.410 120.200 0.015 0.000 2.136 292 E HA -0.295 4.039 4.350 -0.027 0.000 0.208 292 E C 1.247 177.827 176.600 -0.032 0.000 1.035 292 E CA 1.808 58.197 56.400 -0.017 0.000 0.838 292 E CB -0.074 29.614 29.700 -0.021 0.000 0.748 292 E HN 0.620 nan 8.360 nan 0.000 0.459 293 E N -0.090 120.109 120.200 -0.001 0.000 2.268 293 E HA -0.078 4.256 4.350 -0.027 0.000 0.195 293 E C 1.883 178.499 176.600 0.027 0.000 0.995 293 E CA 0.595 56.999 56.400 0.007 0.000 0.836 293 E CB 0.006 29.721 29.700 0.026 0.000 0.763 293 E HN 0.230 nan 8.360 nan 0.000 0.491 294 A N 0.632 123.493 122.820 0.068 0.000 2.066 294 A HA -0.046 4.258 4.320 -0.027 0.000 0.218 294 A C 1.128 178.727 177.584 0.026 0.000 1.157 294 A CA 0.430 52.568 52.037 0.169 0.000 0.670 294 A CB 0.072 19.294 19.000 0.369 0.000 0.804 294 A HN 0.183 nan 8.150 nan 0.000 0.453 295 L N 1.063 122.145 121.223 -0.234 0.000 2.337 295 L HA 0.481 4.804 4.340 -0.027 0.000 0.269 295 L C -2.801 173.838 176.870 -0.386 0.000 1.018 295 L CA -2.428 52.060 54.840 -0.586 0.000 0.876 295 L CB 1.098 42.573 42.059 -0.975 0.000 1.236 295 L HN -0.152 nan 8.230 nan 0.000 0.436 296 P HA -0.012 nan 4.420 nan 0.000 0.261 296 P C 0.149 177.251 177.300 -0.330 0.000 1.173 296 P CA 0.155 63.127 63.100 -0.213 0.000 0.760 296 P CB 0.561 32.187 31.700 -0.124 0.000 0.783 297 Q N 2.356 122.018 119.800 -0.230 0.000 2.226 297 Q HA -0.175 4.149 4.340 -0.027 0.000 0.204 297 Q C 1.388 177.198 176.000 -0.317 0.000 0.975 297 Q CA 1.610 57.264 55.803 -0.249 0.000 0.866 297 Q CB -0.244 28.397 28.738 -0.161 0.000 0.915 297 Q HN 0.548 nan 8.270 nan 0.000 0.440 298 E N 0.006 120.029 120.200 -0.294 0.000 2.267 298 E HA -0.110 4.224 4.350 -0.027 0.000 0.197 298 E C 1.674 177.952 176.600 -0.538 0.000 0.998 298 E CA 0.648 56.852 56.400 -0.327 0.000 0.830 298 E CB -0.066 29.546 29.700 -0.148 0.000 0.751 298 E HN 0.302 nan 8.360 nan 0.000 0.491 299 L N -0.137 120.674 121.223 -0.687 0.000 2.477 299 L HA 0.105 4.429 4.340 -0.027 0.000 0.220 299 L C 0.253 176.780 176.870 -0.573 0.000 1.106 299 L CA -0.160 54.199 54.840 -0.803 0.000 0.851 299 L CB 0.328 41.567 42.059 -1.366 0.000 0.994 299 L HN -0.067 nan 8.230 nan 0.000 0.462 300 V N 0.906 120.508 119.914 -0.520 0.000 2.508 300 V HA 0.036 4.140 4.120 -0.027 0.000 0.281 300 V C -0.289 175.630 176.094 -0.291 0.000 1.041 300 V CA 0.100 62.252 62.300 -0.247 0.000 1.016 300 V CB 0.501 32.195 31.823 -0.215 0.000 0.984 300 V HN -0.038 nan 8.190 nan 0.000 0.478 301 F N 3.885 123.858 119.950 0.038 0.000 2.411 301 F HA 0.432 4.942 4.527 -0.027 0.000 0.352 301 F C 0.763 176.607 175.800 0.072 0.000 1.123 301 F CA -0.638 57.395 58.000 0.056 0.000 1.044 301 F CB 1.035 40.092 39.000 0.095 0.000 1.135 301 F HN 0.433 nan 8.300 nan 0.000 0.461 302 N N 3.251 122.041 118.700 0.151 0.000 2.488 302 N HA 0.312 5.036 4.740 -0.027 0.000 0.274 302 N C -0.712 174.889 175.510 0.152 0.000 1.111 302 N CA -0.109 53.019 53.050 0.130 0.000 0.974 302 N CB 1.822 40.344 38.487 0.059 0.000 1.089 302 N HN 0.354 nan 8.380 nan 0.000 0.465 303 V N -0.683 119.313 119.914 0.138 0.000 2.547 303 V HA 0.421 4.524 4.120 -0.027 0.000 0.299 303 V C 0.027 176.071 176.094 -0.083 0.000 1.040 303 V CA -1.070 61.239 62.300 0.016 0.000 0.913 303 V CB 1.769 33.570 31.823 -0.037 0.000 0.992 303 V HN 0.323 nan 8.190 nan 0.000 0.449 304 D N 2.595 122.903 120.400 -0.153 0.000 2.317 304 D HA 0.498 5.122 4.640 -0.027 0.000 0.252 304 D C -0.814 175.302 176.300 -0.306 0.000 1.174 304 D CA 0.679 54.602 54.000 -0.127 0.000 0.866 304 D CB 0.478 41.237 40.800 -0.070 0.000 1.127 304 D HN 0.624 nan 8.370 nan 0.000 0.467 305 Y N 0.801 121.106 120.300 0.010 0.000 2.630 305 Y HA 0.298 4.831 4.550 -0.028 0.000 0.337 305 Y C 1.220 177.116 175.900 -0.006 0.000 1.051 305 Y CA -0.945 57.153 58.100 -0.004 0.000 1.121 305 Y CB 1.068 39.517 38.460 -0.018 0.000 1.299 305 Y HN 0.184 nan 8.280 nan 0.000 0.498 306 L N 0.573 121.898 121.223 0.170 0.000 2.201 306 L HA -0.053 4.271 4.340 -0.027 0.000 0.212 306 L C 1.955 178.863 176.870 0.064 0.000 1.105 306 L CA 1.521 56.411 54.840 0.082 0.000 0.775 306 L CB -0.320 41.770 42.059 0.051 0.000 0.913 306 L HN 0.980 nan 8.230 nan 0.000 0.440 307 G N -1.049 107.791 108.800 0.067 0.000 3.026 307 G HA2 0.393 4.337 3.960 -0.027 0.000 0.208 307 G HA3 0.393 4.337 3.960 -0.027 0.000 0.208 307 G C 0.642 175.563 174.900 0.034 0.000 1.169 307 G CA 0.533 45.650 45.100 0.028 0.000 0.788 307 G HN 0.540 nan 8.290 nan 0.000 0.533 308 G N -0.549 108.288 108.800 0.063 0.000 2.306 308 G HA2 0.191 4.134 3.960 -0.027 0.000 0.262 308 G HA3 0.191 4.134 3.960 -0.027 0.000 0.262 308 G C -0.877 174.090 174.900 0.112 0.000 1.263 308 G CA -0.244 44.893 45.100 0.061 0.000 1.088 308 G HN 0.917 nan 8.290 nan 0.000 0.489 309 Q N -0.457 119.405 119.800 0.103 0.000 2.321 309 Q HA 0.741 5.065 4.340 -0.027 0.000 0.270 309 Q C -0.892 175.196 176.000 0.147 0.000 1.032 309 Q CA -1.021 54.878 55.803 0.160 0.000 0.784 309 Q CB 2.040 30.838 28.738 0.100 0.000 1.264 309 Q HN 0.699 nan 8.270 nan 0.000 0.448 310 I N 1.810 122.520 120.570 0.233 0.000 2.412 310 I HA 0.544 4.697 4.170 -0.027 0.000 0.296 310 I C 0.376 176.589 176.117 0.161 0.000 0.987 310 I CA -1.106 60.270 61.300 0.127 0.000 1.180 310 I CB 1.905 39.899 38.000 -0.010 0.000 1.340 310 I HN 0.820 nan 8.210 nan 0.000 0.455 311 G N 2.973 111.838 108.800 0.108 0.000 2.348 311 G HA2 0.604 4.547 3.960 -0.027 0.000 0.312 311 G HA3 0.604 4.547 3.960 -0.027 0.000 0.312 311 G C -0.401 174.591 174.900 0.154 0.000 1.126 311 G CA -0.287 44.887 45.100 0.123 0.000 0.865 311 G HN 0.635 nan 8.290 nan 0.000 0.474 312 T N -1.089 113.599 114.554 0.224 0.000 2.863 312 T HA 0.592 4.926 4.350 -0.027 0.000 0.285 312 T C -1.211 173.741 174.700 0.421 0.000 1.009 312 T CA -0.780 61.492 62.100 0.287 0.000 0.989 312 T CB 1.930 70.951 68.868 0.257 0.000 1.004 312 T HN 0.296 nan 8.240 nan 0.000 0.455 313 F N 2.779 122.862 119.950 0.220 0.000 2.359 313 F HA 0.752 5.263 4.527 -0.027 0.000 0.370 313 F C -0.466 175.498 175.800 0.273 0.000 1.077 313 F CA -1.606 56.518 58.000 0.206 0.000 1.136 313 F CB -0.075 38.970 39.000 0.075 0.000 1.387 313 F HN 1.097 nan 8.300 nan 0.000 0.468 314 A N 5.416 128.362 122.820 0.210 0.000 2.589 314 A HA 0.541 4.845 4.320 -0.027 0.000 0.296 314 A C -0.053 177.601 177.584 0.118 0.000 1.062 314 A CA -0.577 51.514 52.037 0.090 0.000 0.686 314 A CB 0.705 19.878 19.000 0.288 0.000 1.282 314 A HN 0.553 nan 8.150 nan 0.000 0.404 315 I N 0.738 121.341 120.570 0.054 0.000 2.333 315 I HA -0.080 4.074 4.170 -0.027 0.000 0.246 315 I C 0.891 177.084 176.117 0.127 0.000 1.106 315 I CA 0.587 61.946 61.300 0.098 0.000 1.411 315 I CB -0.038 38.017 38.000 0.091 0.000 1.082 315 I HN 0.604 nan 8.210 nan 0.000 0.420 316 N N 0.047 118.824 118.700 0.127 0.000 2.424 316 N HA 0.098 4.821 4.740 -0.027 0.000 0.257 316 N C 0.085 175.799 175.510 0.341 0.000 1.250 316 N CA 0.011 53.164 53.050 0.172 0.000 0.946 316 N CB 1.528 40.065 38.487 0.084 0.000 1.175 316 N HN -0.020 nan 8.380 nan 0.000 0.477 317 F N 0.266 120.304 119.950 0.146 0.000 2.138 317 F HA 0.272 4.783 4.527 -0.027 0.000 0.212 317 F C 0.774 176.716 175.800 0.237 0.000 1.162 317 F CA -0.137 57.972 58.000 0.182 0.000 1.251 317 F CB -0.367 38.686 39.000 0.088 0.000 1.676 317 F HN 0.201 nan 8.300 nan 0.000 0.409 318 S N 1.804 117.645 115.700 0.234 0.000 2.549 318 S HA 0.528 4.982 4.470 -0.027 0.000 0.279 318 S C -0.818 173.866 174.600 0.139 0.000 1.321 318 S CA -0.281 57.989 58.200 0.117 0.000 1.054 318 S CB 0.044 63.341 63.200 0.162 0.000 0.899 318 S HN 0.474 nan 8.310 nan 0.000 0.497 319 R N 1.674 122.248 120.500 0.124 0.000 2.825 319 R HA 0.382 4.705 4.340 -0.027 0.000 0.274 319 R C -3.572 172.754 176.300 0.043 0.000 1.026 319 R CA -1.725 54.414 56.100 0.064 0.000 0.867 319 R CB 0.177 30.493 30.300 0.026 0.000 1.268 319 R HN 0.265 nan 8.270 nan 0.000 0.491 320 P HA 0.023 nan 4.420 nan 0.000 0.268 320 P C -0.102 177.173 177.300 -0.041 0.000 1.205 320 P CA 0.017 63.088 63.100 -0.049 0.000 0.771 320 P CB 1.232 32.895 31.700 -0.062 0.000 0.858 321 A N 3.189 125.989 122.820 -0.033 0.000 2.275 321 A HA 0.206 4.509 4.320 -0.027 0.000 0.212 321 A C 2.185 179.757 177.584 -0.020 0.000 1.201 321 A CA 0.880 52.922 52.037 0.009 0.000 0.843 321 A CB -1.112 17.927 19.000 0.065 0.000 0.873 321 A HN 0.592 nan 8.150 nan 0.000 0.492 322 G N 0.419 109.190 108.800 -0.047 0.000 2.529 322 G HA2 -0.348 3.595 3.960 -0.027 0.000 0.219 322 G HA3 -0.348 3.595 3.960 -0.027 0.000 0.219 322 G C 1.427 176.307 174.900 -0.033 0.000 1.177 322 G CA 1.429 46.503 45.100 -0.043 0.000 0.773 322 G HN 0.567 nan 8.290 nan 0.000 0.573 323 Q N -0.270 119.495 119.800 -0.057 0.000 2.170 323 Q HA 0.044 4.368 4.340 -0.027 0.000 0.203 323 Q C 2.749 178.740 176.000 -0.015 0.000 0.976 323 Q CA 1.008 56.781 55.803 -0.051 0.000 0.858 323 Q CB -0.390 28.297 28.738 -0.084 0.000 0.907 323 Q HN 0.371 nan 8.270 nan 0.000 0.433 324 V N 0.304 120.211 119.914 -0.012 0.000 2.358 324 V HA -0.223 3.881 4.120 -0.027 0.000 0.246 324 V C 1.953 178.138 176.094 0.151 0.000 1.047 324 V CA 1.461 63.819 62.300 0.096 0.000 1.035 324 V CB -0.349 31.541 31.823 0.111 0.000 0.658 324 V HN 0.358 nan 8.190 nan 0.000 0.452 325 I N 0.342 120.978 120.570 0.110 0.000 2.226 325 I HA -0.232 3.921 4.170 -0.027 0.000 0.245 325 I C 2.616 178.839 176.117 0.177 0.000 1.100 325 I CA 1.535 62.922 61.300 0.145 0.000 1.374 325 I CB -0.532 37.520 38.000 0.088 0.000 1.057 325 I HN 0.281 nan 8.210 nan 0.000 0.413 326 A N 0.040 122.920 122.820 0.099 0.000 1.933 326 A HA -0.278 4.026 4.320 -0.027 0.000 0.218 326 A C 2.233 179.891 177.584 0.124 0.000 1.175 326 A CA 1.912 54.012 52.037 0.104 0.000 0.628 326 A CB -0.588 18.433 19.000 0.035 0.000 0.814 326 A HN 0.455 nan 8.150 nan 0.000 0.444 327 Q N -1.623 118.203 119.800 0.044 0.000 2.119 327 Q HA -0.191 4.132 4.340 -0.027 0.000 0.201 327 Q C 1.802 177.593 176.000 -0.348 0.000 0.972 327 Q CA 1.982 57.691 55.803 -0.156 0.000 0.847 327 Q CB -0.578 28.134 28.738 -0.044 0.000 0.903 327 Q HN 0.679 nan 8.270 nan 0.000 0.433 328 Y N -0.234 119.961 120.300 -0.176 0.000 2.224 328 Y HA -0.256 4.277 4.550 -0.029 0.000 0.289 328 Y C 1.962 177.896 175.900 0.057 0.000 1.146 328 Y CA 1.755 59.819 58.100 -0.060 0.000 1.182 328 Y CB -0.701 37.805 38.460 0.076 0.000 0.983 328 Y HN 0.370 nan 8.280 nan 0.000 0.524 329 Y N 1.201 121.470 120.300 -0.051 0.000 2.128 329 Y HA -0.235 4.301 4.550 -0.022 0.000 0.284 329 Y C 2.182 178.036 175.900 -0.078 0.000 1.154 329 Y CA 2.290 60.340 58.100 -0.083 0.000 1.149 329 Y CB -0.415 38.044 38.460 -0.002 0.000 0.976 329 Y HN 0.126 nan 8.280 nan 0.000 0.505 330 E N -0.128 119.990 120.200 -0.138 0.000 2.077 330 E HA -0.175 4.159 4.350 -0.027 0.000 0.193 330 E C 2.120 178.751 176.600 0.052 0.000 0.989 330 E CA 1.222 57.520 56.400 -0.170 0.000 0.800 330 E CB -0.701 28.988 29.700 -0.020 0.000 0.746 330 E HN 0.460 nan 8.360 nan 0.000 0.452 331 F N 1.076 121.043 119.950 0.029 0.000 2.095 331 F HA -0.125 4.387 4.527 -0.026 0.000 0.298 331 F C 2.488 178.236 175.800 -0.087 0.000 1.104 331 F CA 0.536 58.570 58.000 0.058 0.000 1.232 331 F CB -1.143 37.861 39.000 0.007 0.000 0.987 331 F HN 0.000 nan 8.300 nan 0.000 0.475 332 L N 0.204 121.379 121.223 -0.080 0.000 2.093 332 L HA -0.190 4.134 4.340 -0.027 0.000 0.208 332 L C 2.671 179.450 176.870 -0.152 0.000 1.085 332 L CA 1.576 56.303 54.840 -0.188 0.000 0.755 332 L CB -0.385 41.446 42.059 -0.380 0.000 0.904 332 L HN 0.202 nan 8.230 nan 0.000 0.435 333 R N -0.517 119.835 120.500 -0.248 0.000 2.161 333 R HA -0.058 4.266 4.340 -0.027 0.000 0.213 333 R C 1.859 178.054 176.300 -0.175 0.000 1.055 333 R CA 0.798 56.740 56.100 -0.263 0.000 0.996 333 R CB -0.141 29.849 30.300 -0.516 0.000 0.901 333 R HN 0.292 nan 8.270 nan 0.000 0.456 334 L N 0.461 121.601 121.223 -0.138 0.000 2.269 334 L HA 0.290 4.613 4.340 -0.027 0.000 0.200 334 L C 1.286 178.163 176.870 0.012 0.000 1.069 334 L CA 0.559 55.331 54.840 -0.113 0.000 0.804 334 L CB -0.483 41.402 42.059 -0.289 0.000 0.987 334 L HN 0.533 nan 8.230 nan 0.000 0.468 335 G N 0.394 109.262 108.800 0.114 0.000 2.622 335 G HA2 -0.358 3.585 3.960 -0.027 0.000 0.272 335 G HA3 -0.358 3.585 3.960 -0.027 0.000 0.272 335 G C 0.562 175.564 174.900 0.170 0.000 1.308 335 G CA 0.521 45.696 45.100 0.124 0.000 0.919 335 G HN 0.245 nan 8.290 nan 0.000 0.565 336 R N 0.128 120.722 120.500 0.156 0.000 2.090 336 R HA 0.007 4.330 4.340 -0.027 0.000 0.228 336 R C 2.648 179.044 176.300 0.159 0.000 1.110 336 R CA 1.526 57.775 56.100 0.248 0.000 0.973 336 R CB -0.276 30.170 30.300 0.242 0.000 0.869 336 R HN 0.762 nan 8.270 nan 0.000 0.440 337 E N 0.161 120.418 120.200 0.094 0.000 2.051 337 E HA -0.159 4.174 4.350 -0.027 0.000 0.192 337 E C 1.923 178.530 176.600 0.011 0.000 0.991 337 E CA 1.509 57.942 56.400 0.056 0.000 0.799 337 E CB -0.180 29.542 29.700 0.036 0.000 0.748 337 E HN 0.369 nan 8.360 nan 0.000 0.449 338 G N -0.418 108.370 108.800 -0.021 0.000 2.404 338 G HA2 -0.257 3.686 3.960 -0.027 0.000 0.215 338 G HA3 -0.257 3.686 3.960 -0.027 0.000 0.215 338 G C 1.181 175.971 174.900 -0.183 0.000 1.174 338 G CA 0.845 45.883 45.100 -0.103 0.000 0.780 338 G HN 0.305 nan 8.290 nan 0.000 0.537 339 Y N 1.363 121.466 120.300 -0.328 0.000 2.165 339 Y HA -0.146 4.389 4.550 -0.026 0.000 0.286 339 Y C 3.377 179.036 175.900 -0.401 0.000 1.155 339 Y CA 1.852 59.581 58.100 -0.618 0.000 1.164 339 Y CB -0.485 36.982 38.460 -1.656 0.000 0.978 339 Y HN 0.143 nan 8.280 nan 0.000 0.513 340 T N -0.396 114.129 114.554 -0.049 0.000 2.746 340 T HA -0.192 4.142 4.350 -0.027 0.000 0.267 340 T C 1.800 176.545 174.700 0.074 0.000 1.039 340 T CA 1.698 63.871 62.100 0.123 0.000 1.142 340 T CB -0.167 68.803 68.868 0.171 0.000 0.866 340 T HN 0.237 nan 8.240 nan 0.000 0.444 341 K N 0.333 120.738 120.400 0.009 0.000 2.062 341 K HA 0.023 4.326 4.320 -0.027 0.000 0.205 341 K C 2.297 178.884 176.600 -0.023 0.000 1.051 341 K CA 0.640 56.925 56.287 -0.005 0.000 0.941 341 K CB -0.323 32.159 32.500 -0.030 0.000 0.719 341 K HN 0.092 nan 8.250 nan 0.000 0.440 342 V N 1.711 121.578 119.914 -0.078 0.000 2.261 342 V HA -0.281 3.822 4.120 -0.027 0.000 0.246 342 V C 2.337 178.435 176.094 0.007 0.000 1.047 342 V CA 1.662 63.906 62.300 -0.094 0.000 1.015 342 V CB -0.488 31.212 31.823 -0.206 0.000 0.642 342 V HN 0.350 nan 8.190 nan 0.000 0.446 343 Q N 0.148 119.997 119.800 0.081 0.000 2.050 343 Q HA -0.222 4.101 4.340 -0.027 0.000 0.202 343 Q C 2.055 178.195 176.000 0.233 0.000 0.980 343 Q CA 1.898 57.815 55.803 0.190 0.000 0.840 343 Q CB -0.948 27.987 28.738 0.328 0.000 0.898 343 Q HN 0.740 nan 8.270 nan 0.000 0.424 344 N N 0.846 119.680 118.700 0.224 0.000 2.091 344 N HA -0.221 4.503 4.740 -0.027 0.000 0.193 344 N C 1.772 177.367 175.510 0.142 0.000 1.021 344 N CA 1.422 54.596 53.050 0.207 0.000 0.862 344 N CB -0.159 38.400 38.487 0.121 0.000 1.018 344 N HN 0.325 nan 8.380 nan 0.000 0.429 345 A N 0.341 123.203 122.820 0.069 0.000 1.883 345 A HA -0.174 4.130 4.320 -0.027 0.000 0.217 345 A C 2.335 179.941 177.584 0.036 0.000 1.186 345 A CA 1.852 53.904 52.037 0.025 0.000 0.624 345 A CB -0.774 18.212 19.000 -0.023 0.000 0.822 345 A HN 0.248 nan 8.150 nan 0.000 0.444 346 S N -1.483 114.238 115.700 0.035 0.000 2.382 346 S HA -0.138 4.315 4.470 -0.027 0.000 0.228 346 S C 1.813 176.401 174.600 -0.019 0.000 1.027 346 S CA 1.475 59.682 58.200 0.011 0.000 0.991 346 S CB -0.556 62.655 63.200 0.018 0.000 0.823 346 S HN 0.634 nan 8.310 nan 0.000 0.469 347 Y N 2.187 122.508 120.300 0.035 0.000 2.224 347 Y HA -0.161 4.373 4.550 -0.027 0.000 0.289 347 Y C 2.625 178.538 175.900 0.022 0.000 1.146 347 Y CA 1.119 59.227 58.100 0.013 0.000 1.182 347 Y CB -0.555 37.906 38.460 0.002 0.000 0.983 347 Y HN 0.320 nan 8.280 nan 0.000 0.524 348 Q N -0.804 119.091 119.800 0.157 0.000 2.050 348 Q HA -0.167 4.156 4.340 -0.027 0.000 0.202 348 Q C 2.394 178.452 176.000 0.098 0.000 0.980 348 Q CA 1.955 57.816 55.803 0.096 0.000 0.840 348 Q CB -0.447 28.315 28.738 0.040 0.000 0.898 348 Q HN 0.292 nan 8.270 nan 0.000 0.424 349 V N 0.931 120.889 119.914 0.074 0.000 2.295 349 V HA -0.310 3.793 4.120 -0.027 0.000 0.246 349 V C 2.242 178.421 176.094 0.143 0.000 1.049 349 V CA 1.891 64.242 62.300 0.085 0.000 1.024 349 V CB -1.012 30.821 31.823 0.017 0.000 0.648 349 V HN 0.439 nan 8.190 nan 0.000 0.447 350 A N -0.084 122.806 122.820 0.116 0.000 1.902 350 A HA -0.127 4.177 4.320 -0.027 0.000 0.217 350 A C 2.408 180.038 177.584 0.076 0.000 1.181 350 A CA 2.143 54.238 52.037 0.096 0.000 0.623 350 A CB -0.806 18.227 19.000 0.056 0.000 0.818 350 A HN 0.585 nan 8.150 nan 0.000 0.443 351 A N -1.717 121.160 122.820 0.096 0.000 1.969 351 A HA -0.059 4.245 4.320 -0.027 0.000 0.218 351 A C 2.126 179.737 177.584 0.045 0.000 1.169 351 A CA 1.656 53.727 52.037 0.056 0.000 0.635 351 A CB -0.697 18.345 19.000 0.071 0.000 0.810 351 A HN 0.746 nan 8.150 nan 0.000 0.445 352 Y N 0.408 120.686 120.300 -0.038 0.000 2.184 352 Y HA -0.081 4.452 4.550 -0.028 0.000 0.290 352 Y C 1.923 177.777 175.900 -0.077 0.000 1.129 352 Y CA 1.477 59.542 58.100 -0.059 0.000 1.144 352 Y CB -0.461 37.967 38.460 -0.055 0.000 0.995 352 Y HN 0.190 nan 8.280 nan 0.000 0.513 353 L N -0.026 121.066 121.223 -0.217 0.000 2.013 353 L HA -0.307 4.016 4.340 -0.027 0.000 0.212 353 L C 2.739 179.440 176.870 -0.282 0.000 1.073 353 L CA 1.520 56.194 54.840 -0.278 0.000 0.753 353 L CB -1.052 40.973 42.059 -0.055 0.000 0.890 353 L HN 0.391 nan 8.230 nan 0.000 0.432 354 A N -0.537 122.163 122.820 -0.200 0.000 1.972 354 A HA -0.226 4.077 4.320 -0.027 0.000 0.219 354 A C 1.835 179.149 177.584 -0.450 0.000 1.169 354 A CA 2.024 53.879 52.037 -0.303 0.000 0.635 354 A CB -0.447 18.392 19.000 -0.268 0.000 0.810 354 A HN 0.365 nan 8.150 nan 0.000 0.446 355 D N -0.555 119.639 120.400 -0.342 0.000 2.149 355 D HA -0.059 4.564 4.640 -0.027 0.000 0.201 355 D C 1.952 178.074 176.300 -0.297 0.000 0.972 355 D CA 0.947 54.769 54.000 -0.297 0.000 0.835 355 D CB -0.081 40.608 40.800 -0.186 0.000 0.966 355 D HN 0.358 nan 8.370 nan 0.000 0.476 356 E N 0.091 120.056 120.200 -0.391 0.000 2.112 356 E HA 0.025 4.358 4.350 -0.027 0.000 0.190 356 E C 2.374 178.800 176.600 -0.290 0.000 0.979 356 E CA 0.181 56.363 56.400 -0.365 0.000 0.814 356 E CB -0.013 29.355 29.700 -0.553 0.000 0.762 356 E HN 0.365 nan 8.360 nan 0.000 0.460 357 I N 1.245 121.618 120.570 -0.329 0.000 2.315 357 I HA -0.196 3.957 4.170 -0.027 0.000 0.248 357 I C 2.356 178.470 176.117 -0.006 0.000 1.117 357 I CA 0.880 61.994 61.300 -0.309 0.000 1.404 357 I CB -0.285 37.419 38.000 -0.493 0.000 1.071 357 I HN -0.030 nan 8.210 nan 0.000 0.419 358 A N 0.776 123.598 122.820 0.003 0.000 2.032 358 A HA -0.234 4.070 4.320 -0.027 0.000 0.221 358 A C 2.134 179.744 177.584 0.043 0.000 1.165 358 A CA 1.642 53.750 52.037 0.118 0.000 0.645 358 A CB -0.468 18.415 19.000 -0.196 0.000 0.807 358 A HN 0.395 nan 8.150 nan 0.000 0.453 359 K N -0.829 119.552 120.400 -0.031 0.000 2.444 359 K HA 0.291 4.595 4.320 -0.027 0.000 0.193 359 K C 0.841 177.430 176.600 -0.018 0.000 1.024 359 K CA 0.239 56.505 56.287 -0.036 0.000 1.077 359 K CB 0.077 32.544 32.500 -0.055 0.000 0.833 359 K HN 0.468 nan 8.250 nan 0.000 0.517 360 L N -0.764 120.470 121.223 0.019 0.000 2.638 360 L HA 0.254 4.577 4.340 -0.027 0.000 0.232 360 L C 0.863 177.741 176.870 0.014 0.000 1.099 360 L CA -0.379 54.503 54.840 0.070 0.000 0.883 360 L CB 0.918 43.080 42.059 0.171 0.000 1.136 360 L HN 0.104 nan 8.230 nan 0.000 0.492 361 G N -0.336 108.290 108.800 -0.290 0.000 2.600 361 G HA2 0.450 4.393 3.960 -0.027 0.000 0.293 361 G HA3 0.450 4.393 3.960 -0.027 0.000 0.293 361 G C -3.026 171.364 174.900 -0.850 0.000 1.408 361 G CA -0.518 44.160 45.100 -0.704 0.000 0.782 361 G HN -0.332 nan 8.290 nan 0.000 0.482 362 P HA 0.429 nan 4.420 nan 0.000 0.234 362 P C -1.492 175.662 177.300 -0.243 0.000 1.799 362 P CA -0.355 62.542 63.100 -0.339 0.000 1.118 362 P CB -0.203 31.382 31.700 -0.191 0.000 1.827 363 Y N -0.464 119.843 120.300 0.013 0.000 2.509 363 Y HA 0.514 5.048 4.550 -0.027 0.000 0.341 363 Y C 0.830 176.698 175.900 -0.053 0.000 1.038 363 Y CA -1.440 56.618 58.100 -0.069 0.000 1.089 363 Y CB 1.850 40.126 38.460 -0.307 0.000 1.241 363 Y HN 0.195 nan 8.280 nan 0.000 0.468 364 E N 2.023 122.263 120.200 0.066 0.000 2.165 364 E HA 0.378 4.712 4.350 -0.027 0.000 0.266 364 E C -1.791 174.789 176.600 -0.032 0.000 0.889 364 E CA -0.634 55.812 56.400 0.076 0.000 0.756 364 E CB 0.852 30.588 29.700 0.059 0.000 1.131 364 E HN 0.466 nan 8.360 nan 0.000 0.411 365 F N 4.468 124.501 119.950 0.139 0.000 2.391 365 F HA 0.287 4.797 4.527 -0.028 0.000 0.359 365 F C 1.168 177.039 175.800 0.117 0.000 1.122 365 F CA -0.315 57.772 58.000 0.145 0.000 1.120 365 F CB 0.759 39.815 39.000 0.092 0.000 1.142 365 F HN 0.538 nan 8.300 nan 0.000 0.483 366 I N 1.182 121.883 120.570 0.220 0.000 2.480 366 I HA -0.059 4.095 4.170 -0.027 0.000 0.251 366 I C 0.564 176.819 176.117 0.230 0.000 1.124 366 I CA 0.887 62.308 61.300 0.202 0.000 1.444 366 I CB 0.248 38.334 38.000 0.144 0.000 1.098 366 I HN 0.467 nan 8.210 nan 0.000 0.428 367 C N 0.501 119.944 119.300 0.238 0.000 2.535 367 C HA 0.455 4.899 4.460 -0.027 0.000 0.319 367 C C 1.010 176.123 174.990 0.205 0.000 1.171 367 C CA -0.301 58.822 59.018 0.174 0.000 1.394 367 C CB 0.864 28.673 27.740 0.114 0.000 1.990 367 C HN 0.481 nan 8.230 nan 0.000 0.466 368 T N 0.153 114.774 114.554 0.111 0.000 3.200 368 T HA 0.384 4.718 4.350 -0.027 0.000 0.284 368 T C 1.098 175.815 174.700 0.028 0.000 1.009 368 T CA 0.665 62.793 62.100 0.047 0.000 0.907 368 T CB 0.142 68.979 68.868 -0.051 0.000 1.120 368 T HN 2.082 nan 8.240 nan 0.000 0.534 369 G N 2.655 111.485 108.800 0.051 0.000 2.198 369 G HA2 -0.240 3.703 3.960 -0.027 0.000 0.257 369 G HA3 -0.240 3.703 3.960 -0.027 0.000 0.257 369 G C -0.033 174.970 174.900 0.172 0.000 1.042 369 G CA -0.532 44.625 45.100 0.096 0.000 0.791 369 G HN 0.586 nan 8.290 nan 0.000 0.502 370 R N -0.616 119.925 120.500 0.068 0.000 2.404 370 R HA 0.359 4.682 4.340 -0.027 0.000 0.291 370 R C -1.596 174.630 176.300 -0.124 0.000 1.025 370 R CA -1.891 54.202 56.100 -0.013 0.000 0.991 370 R CB 1.172 31.459 30.300 -0.022 0.000 1.053 370 R HN 0.039 nan 8.270 nan 0.000 0.479 371 P HA -0.117 nan 4.420 nan 0.000 0.221 371 P C 0.537 177.735 177.300 -0.169 0.000 1.150 371 P CA 1.083 63.741 63.100 -0.738 0.000 0.800 371 P CB 0.186 31.388 31.700 -0.830 0.000 0.787 372 D N -0.756 119.616 120.400 -0.045 0.000 2.340 372 D HA -0.066 4.558 4.640 -0.027 0.000 0.220 372 D C 1.259 177.740 176.300 0.301 0.000 1.039 372 D CA 0.561 54.643 54.000 0.136 0.000 0.866 372 D CB -0.181 40.666 40.800 0.078 0.000 0.913 372 D HN 0.224 nan 8.370 nan 0.000 0.523 373 E N -0.428 119.852 120.200 0.132 0.000 2.485 373 E HA 0.350 4.684 4.350 -0.027 0.000 0.213 373 E C 0.759 177.131 176.600 -0.381 0.000 0.923 373 E CA 0.178 56.638 56.400 0.101 0.000 1.054 373 E CB 1.399 31.117 29.700 0.030 0.000 1.077 373 E HN 0.334 nan 8.360 nan 0.000 0.509 374 G N 1.095 109.376 108.800 -0.865 0.000 2.360 374 G HA2 0.170 4.114 3.960 -0.027 0.000 0.276 374 G HA3 0.170 4.114 3.960 -0.027 0.000 0.276 374 G C -1.253 173.074 174.900 -0.954 0.000 1.256 374 G CA -0.588 43.541 45.100 -1.618 0.000 0.890 374 G HN 0.100 nan 8.290 nan 0.000 0.486 375 I N -1.305 118.866 120.570 -0.665 0.000 3.078 375 I HA 0.706 4.859 4.170 -0.027 0.000 0.318 375 I C -2.359 173.521 176.117 -0.395 0.000 1.016 375 I CA -2.588 58.430 61.300 -0.471 0.000 1.130 375 I CB 2.038 39.775 38.000 -0.439 0.000 1.397 375 I HN 0.137 nan 8.210 nan 0.000 0.570 376 P HA 0.266 nan 4.420 nan 0.000 0.249 376 P C -1.062 176.136 177.300 -0.171 0.000 1.737 376 P CA 0.151 62.969 63.100 -0.471 0.000 1.128 376 P CB -0.085 31.254 31.700 -0.601 0.000 1.942 377 A N 1.971 124.729 122.820 -0.103 0.000 2.515 377 A HA 0.649 4.953 4.320 -0.027 0.000 0.298 377 A C -1.055 176.547 177.584 0.029 0.000 1.059 377 A CA -0.638 51.370 52.037 -0.048 0.000 0.698 377 A CB 1.592 20.549 19.000 -0.072 0.000 1.289 377 A HN 0.097 nan 8.150 nan 0.000 0.404 378 V N 0.641 120.602 119.914 0.078 0.000 2.384 378 V HA 0.531 4.634 4.120 -0.027 0.000 0.287 378 V C -0.474 175.741 176.094 0.201 0.000 1.020 378 V CA -0.507 61.906 62.300 0.188 0.000 0.850 378 V CB 1.005 32.964 31.823 0.227 0.000 0.987 378 V HN 1.035 nan 8.190 nan 0.000 0.436 379 C N 7.883 127.319 119.300 0.226 0.000 2.431 379 C HA 0.926 5.370 4.460 -0.027 0.000 0.321 379 C C -0.676 174.360 174.990 0.076 0.000 1.202 379 C CA -0.721 58.333 59.018 0.061 0.000 1.398 379 C CB -0.006 27.765 27.740 0.051 0.000 2.047 379 C HN 0.849 nan 8.230 nan 0.000 0.465 380 F N 3.937 123.713 119.950 -0.291 0.000 2.715 380 F HA 0.880 5.391 4.527 -0.028 0.000 0.318 380 F C -0.938 174.622 175.800 -0.400 0.000 1.141 380 F CA -0.982 56.713 58.000 -0.509 0.000 0.950 380 F CB 1.115 39.402 39.000 -1.189 0.000 1.374 380 F HN 0.651 nan 8.300 nan 0.000 0.477 381 K N 0.677 120.973 120.400 -0.173 0.000 2.522 381 K HA 0.678 4.982 4.320 -0.027 0.000 0.275 381 K C -1.830 174.807 176.600 0.062 0.000 1.006 381 K CA -1.035 55.157 56.287 -0.158 0.000 0.890 381 K CB 2.187 34.591 32.500 -0.159 0.000 1.475 381 K HN 0.822 nan 8.250 nan 0.000 0.441 382 L N 1.886 123.146 121.223 0.062 0.000 2.426 382 L HA 0.227 4.551 4.340 -0.027 0.000 0.271 382 L C 0.399 177.292 176.870 0.039 0.000 1.169 382 L CA -0.496 54.413 54.840 0.115 0.000 0.836 382 L CB 0.315 42.388 42.059 0.023 0.000 1.112 382 L HN 0.582 nan 8.230 nan 0.000 0.465 383 K N 1.527 121.948 120.400 0.035 0.000 2.469 383 K HA -0.019 4.284 4.320 -0.027 0.000 0.274 383 K C -0.457 176.136 176.600 -0.012 0.000 0.983 383 K CA -0.294 55.998 56.287 0.009 0.000 0.974 383 K CB 0.260 32.760 32.500 -0.000 0.000 0.913 383 K HN 0.423 nan 8.250 nan 0.000 0.493 384 D N 0.967 121.360 120.400 -0.011 0.000 2.443 384 D HA 0.048 4.672 4.640 -0.027 0.000 0.239 384 D C 1.054 177.341 176.300 -0.021 0.000 1.136 384 D CA 1.152 55.141 54.000 -0.018 0.000 0.879 384 D CB 0.762 41.553 40.800 -0.014 0.000 1.195 384 D HN 0.740 nan 8.370 nan 0.000 0.443 385 G N 1.530 110.315 108.800 -0.025 0.000 2.179 385 G HA2 -0.307 3.637 3.960 -0.027 0.000 0.257 385 G HA3 -0.307 3.637 3.960 -0.027 0.000 0.257 385 G C 0.272 175.152 174.900 -0.033 0.000 1.010 385 G CA 0.612 45.697 45.100 -0.025 0.000 0.736 385 G HN 0.511 nan 8.290 nan 0.000 0.513 386 E N -0.127 120.047 120.200 -0.043 0.000 2.238 386 E HA 0.587 4.921 4.350 -0.027 0.000 0.267 386 E C -1.226 175.325 176.600 -0.082 0.000 0.887 386 E CA -0.869 55.495 56.400 -0.059 0.000 0.769 386 E CB 1.386 31.048 29.700 -0.063 0.000 1.187 386 E HN 0.079 nan 8.360 nan 0.000 0.416 387 D N 4.357 124.701 120.400 -0.093 0.000 2.358 387 D HA 0.273 4.897 4.640 -0.027 0.000 0.253 387 D C -2.041 174.172 176.300 -0.145 0.000 1.288 387 D CA -1.695 52.233 54.000 -0.121 0.000 0.950 387 D CB 1.368 42.123 40.800 -0.076 0.000 1.197 387 D HN 0.271 nan 8.370 nan 0.000 0.550 388 P HA 0.296 nan 4.420 nan 0.000 0.255 388 P C 0.782 178.004 177.300 -0.130 0.000 1.248 388 P CA 0.299 63.262 63.100 -0.228 0.000 0.807 388 P CB 0.580 32.061 31.700 -0.366 0.000 1.150 389 G N -0.473 108.240 108.800 -0.144 0.000 2.163 389 G HA2 -0.154 3.790 3.960 -0.027 0.000 0.213 389 G HA3 -0.154 3.790 3.960 -0.027 0.000 0.213 389 G C -0.249 174.748 174.900 0.162 0.000 0.991 389 G CA -0.090 45.036 45.100 0.044 0.000 0.653 389 G HN 0.543 nan 8.290 nan 0.000 0.518 390 Y N -1.597 118.732 120.300 0.048 0.000 2.677 390 Y HA 0.751 5.284 4.550 -0.027 0.000 0.334 390 Y C -0.104 175.833 175.900 0.061 0.000 1.196 390 Y CA -0.783 57.353 58.100 0.060 0.000 1.059 390 Y CB 0.442 38.940 38.460 0.064 0.000 1.315 390 Y HN 0.697 nan 8.280 nan 0.000 0.455 391 T N -0.973 113.703 114.554 0.203 0.000 2.936 391 T HA 0.459 4.792 4.350 -0.027 0.000 0.282 391 T C 0.497 175.322 174.700 0.208 0.000 1.003 391 T CA -0.969 61.203 62.100 0.120 0.000 1.005 391 T CB 1.184 70.135 68.868 0.138 0.000 1.097 391 T HN 0.852 nan 8.240 nan 0.000 0.532 392 L N -0.102 121.131 121.223 0.017 0.000 2.376 392 L HA 0.032 4.355 4.340 -0.027 0.000 0.219 392 L C 2.014 178.828 176.870 -0.092 0.000 1.133 392 L CA 0.831 55.638 54.840 -0.054 0.000 0.816 392 L CB -0.595 41.311 42.059 -0.256 0.000 0.933 392 L HN 0.700 nan 8.230 nan 0.000 0.449 393 Y N 0.076 120.391 120.300 0.024 0.000 2.263 393 Y HA -0.193 4.340 4.550 -0.028 0.000 0.292 393 Y C 2.391 178.315 175.900 0.040 0.000 1.130 393 Y CA 0.837 58.951 58.100 0.023 0.000 1.179 393 Y CB -0.361 38.115 38.460 0.027 0.000 0.998 393 Y HN 0.209 nan 8.280 nan 0.000 0.532 394 D N -0.274 120.262 120.400 0.226 0.000 2.097 394 D HA -0.139 4.484 4.640 -0.027 0.000 0.197 394 D C 2.201 178.551 176.300 0.083 0.000 0.984 394 D CA 0.941 55.041 54.000 0.166 0.000 0.826 394 D CB -0.513 40.413 40.800 0.210 0.000 0.973 394 D HN 0.246 nan 8.370 nan 0.000 0.460 395 L N 0.739 121.989 121.223 0.044 0.000 2.056 395 L HA -0.098 4.226 4.340 -0.027 0.000 0.207 395 L C 2.274 179.092 176.870 -0.087 0.000 1.078 395 L CA 1.501 56.271 54.840 -0.117 0.000 0.749 395 L CB -0.815 41.127 42.059 -0.195 0.000 0.901 395 L HN -0.102 nan 8.230 nan 0.000 0.433 396 S N -0.907 114.781 115.700 -0.019 0.000 2.370 396 S HA -0.282 4.172 4.470 -0.027 0.000 0.226 396 S C 2.079 176.704 174.600 0.042 0.000 1.033 396 S CA 1.722 59.931 58.200 0.014 0.000 1.011 396 S CB -0.405 62.825 63.200 0.050 0.000 0.852 396 S HN 0.669 nan 8.310 nan 0.000 0.457 397 E N -0.246 119.985 120.200 0.053 0.000 2.047 397 E HA -0.156 4.178 4.350 -0.027 0.000 0.191 397 E C 2.318 178.929 176.600 0.018 0.000 0.987 397 E CA 0.752 57.181 56.400 0.048 0.000 0.799 397 E CB -0.084 29.649 29.700 0.055 0.000 0.752 397 E HN 0.218 nan 8.360 nan 0.000 0.449 398 R N 0.593 121.090 120.500 -0.006 0.000 2.091 398 R HA -0.106 4.218 4.340 -0.027 0.000 0.238 398 R C 2.391 178.684 176.300 -0.010 0.000 1.136 398 R CA 1.006 57.080 56.100 -0.044 0.000 0.959 398 R CB -0.932 29.330 30.300 -0.064 0.000 0.856 398 R HN 0.292 nan 8.270 nan 0.000 0.437 399 L N -0.276 120.956 121.223 0.015 0.000 2.017 399 L HA -0.158 4.166 4.340 -0.027 0.000 0.208 399 L C 2.542 179.515 176.870 0.172 0.000 1.073 399 L CA 1.393 56.302 54.840 0.114 0.000 0.745 399 L CB -0.373 41.743 42.059 0.095 0.000 0.894 399 L HN 0.167 nan 8.230 nan 0.000 0.432 400 R N 0.030 120.597 120.500 0.111 0.000 2.103 400 R HA -0.198 4.126 4.340 -0.027 0.000 0.242 400 R C 2.262 178.589 176.300 0.045 0.000 1.142 400 R CA 1.409 57.561 56.100 0.086 0.000 0.960 400 R CB -0.405 29.931 30.300 0.061 0.000 0.858 400 R HN 0.347 nan 8.270 nan 0.000 0.439 401 L N -0.230 121.004 121.223 0.019 0.000 2.353 401 L HA -0.146 4.177 4.340 -0.027 0.000 0.220 401 L C 1.759 178.625 176.870 -0.006 0.000 1.133 401 L CA 1.139 55.969 54.840 -0.017 0.000 0.798 401 L CB -0.070 41.949 42.059 -0.067 0.000 0.922 401 L HN 0.115 nan 8.230 nan 0.000 0.445 402 R N -0.973 119.558 120.500 0.052 0.000 2.393 402 R HA 0.160 4.483 4.340 -0.027 0.000 0.244 402 R C 1.198 177.477 176.300 -0.035 0.000 0.920 402 R CA 0.558 56.701 56.100 0.072 0.000 1.076 402 R CB 0.593 31.015 30.300 0.203 0.000 1.119 402 R HN 0.339 nan 8.270 nan 0.000 0.524 403 G N -0.246 108.514 108.800 -0.068 0.000 2.213 403 G HA2 -0.237 3.707 3.960 -0.027 0.000 0.226 403 G HA3 -0.237 3.707 3.960 -0.027 0.000 0.226 403 G C -0.318 174.440 174.900 -0.236 0.000 0.992 403 G CA -0.468 44.507 45.100 -0.210 0.000 0.632 403 G HN 0.239 nan 8.290 nan 0.000 0.511 404 W N 1.065 122.385 121.300 0.033 0.000 2.261 404 W HA 0.668 5.312 4.660 -0.026 0.000 0.323 404 W C 0.538 177.066 176.519 0.014 0.000 1.243 404 W CA -0.601 56.761 57.345 0.027 0.000 1.210 404 W CB 0.951 30.439 29.460 0.047 0.000 1.149 404 W HN 0.161 nan 8.180 nan 0.000 0.562 405 Q N 2.649 122.604 119.800 0.257 0.000 2.368 405 Q HA 0.471 4.795 4.340 -0.027 0.000 0.256 405 Q C -1.540 174.550 176.000 0.150 0.000 0.980 405 Q CA -0.353 55.550 55.803 0.166 0.000 0.887 405 Q CB 1.043 29.849 28.738 0.113 0.000 1.221 405 Q HN 0.368 nan 8.270 nan 0.000 0.458 406 V N 7.848 127.837 119.914 0.126 0.000 2.409 406 V HA 0.500 4.603 4.120 -0.027 0.000 0.290 406 V C -2.271 173.860 176.094 0.062 0.000 1.017 406 V CA -1.696 60.646 62.300 0.069 0.000 0.841 406 V CB 1.563 33.414 31.823 0.048 0.000 1.003 406 V HN 0.788 nan 8.190 nan 0.000 0.426 407 P HA 0.445 nan 4.420 nan 0.000 0.280 407 P C -0.729 176.607 177.300 0.061 0.000 1.244 407 P CA -0.101 63.096 63.100 0.161 0.000 0.784 407 P CB 1.563 33.426 31.700 0.273 0.000 0.913 408 A N 4.150 126.991 122.820 0.035 0.000 2.318 408 A HA 0.838 5.141 4.320 -0.027 0.000 0.324 408 A C -0.648 176.922 177.584 -0.023 0.000 1.170 408 A CA -0.474 51.418 52.037 -0.242 0.000 0.810 408 A CB 0.269 19.064 19.000 -0.341 0.000 1.198 408 A HN 0.551 nan 8.150 nan 0.000 0.484 409 F N -0.445 119.425 119.950 -0.134 0.000 2.789 409 F HA 0.811 5.322 4.527 -0.028 0.000 0.319 409 F C -0.015 175.759 175.800 -0.043 0.000 1.168 409 F CA -0.590 57.409 58.000 -0.002 0.000 0.934 409 F CB 1.105 40.113 39.000 0.014 0.000 1.375 409 F HN 0.500 nan 8.300 nan 0.000 0.480 410 T N 0.044 114.781 114.554 0.305 0.000 2.895 410 T HA 0.715 5.049 4.350 -0.027 0.000 0.283 410 T C -0.267 174.582 174.700 0.250 0.000 1.014 410 T CA -0.763 61.430 62.100 0.155 0.000 1.037 410 T CB 1.295 70.242 68.868 0.132 0.000 1.006 410 T HN 0.752 nan 8.240 nan 0.000 0.468 411 L N 1.559 122.836 121.223 0.091 0.000 2.470 411 L HA 0.539 4.863 4.340 -0.027 0.000 0.243 411 L C 1.628 178.440 176.870 -0.097 0.000 1.227 411 L CA -0.708 54.130 54.840 -0.003 0.000 0.824 411 L CB -0.072 41.923 42.059 -0.107 0.000 1.175 411 L HN 0.970 nan 8.230 nan 0.000 0.503 412 G N -1.446 107.177 108.800 -0.295 0.000 2.508 412 G HA2 0.444 4.388 3.960 -0.027 0.000 0.278 412 G HA3 0.444 4.388 3.960 -0.027 0.000 0.278 412 G C 0.567 175.393 174.900 -0.124 0.000 1.389 412 G CA 0.003 44.986 45.100 -0.195 0.000 1.050 412 G HN 0.981 nan 8.290 nan 0.000 0.522 413 G N -0.194 108.562 108.800 -0.073 0.000 2.702 413 G HA2 -0.377 3.567 3.960 -0.027 0.000 0.342 413 G HA3 -0.377 3.567 3.960 -0.027 0.000 0.342 413 G C 1.093 175.967 174.900 -0.043 0.000 1.258 413 G CA 1.201 46.272 45.100 -0.048 0.000 0.990 413 G HN 0.693 nan 8.290 nan 0.000 0.548 414 E N 0.980 121.149 120.200 -0.052 0.000 2.442 414 E HA 0.407 4.740 4.350 -0.027 0.000 0.195 414 E C 2.306 178.874 176.600 -0.053 0.000 1.030 414 E CA 0.553 56.927 56.400 -0.044 0.000 0.869 414 E CB 0.057 29.733 29.700 -0.040 0.000 0.857 414 E HN 0.636 nan 8.360 nan 0.000 0.505 415 A N 0.652 123.426 122.820 -0.076 0.000 2.462 415 A HA 0.028 4.332 4.320 -0.027 0.000 0.261 415 A C 1.766 179.312 177.584 -0.064 0.000 1.323 415 A CA 0.186 52.174 52.037 -0.081 0.000 0.913 415 A CB -0.445 18.485 19.000 -0.118 0.000 1.028 415 A HN 0.142 nan 8.150 nan 0.000 0.511 416 T N -0.742 113.787 114.554 -0.043 0.000 2.918 416 T HA -0.201 4.133 4.350 -0.027 0.000 0.271 416 T C 1.304 176.004 174.700 -0.001 0.000 1.104 416 T CA 2.053 64.145 62.100 -0.014 0.000 1.114 416 T CB -0.420 68.447 68.868 -0.002 0.000 0.855 416 T HN 0.550 nan 8.240 nan 0.000 0.518 417 D N -0.569 119.822 120.400 -0.014 0.000 2.349 417 D HA 0.166 4.790 4.640 -0.027 0.000 0.224 417 D C 0.139 176.425 176.300 -0.024 0.000 1.029 417 D CA 0.177 54.172 54.000 -0.009 0.000 0.879 417 D CB -0.045 40.747 40.800 -0.013 0.000 0.906 417 D HN 0.479 nan 8.370 nan 0.000 0.528 418 I N 0.951 121.494 120.570 -0.045 0.000 2.321 418 I HA 0.178 4.332 4.170 -0.027 0.000 0.291 418 I C -0.506 175.540 176.117 -0.119 0.000 0.998 418 I CA -0.799 60.452 61.300 -0.082 0.000 1.227 418 I CB 1.986 39.928 38.000 -0.096 0.000 1.368 418 I HN -0.296 nan 8.210 nan 0.000 0.466 419 V N 7.692 127.503 119.914 -0.170 0.000 2.350 419 V HA 0.304 4.407 4.120 -0.027 0.000 0.276 419 V C 0.137 175.990 176.094 -0.402 0.000 1.028 419 V CA -0.534 61.588 62.300 -0.296 0.000 0.860 419 V CB 1.519 33.124 31.823 -0.363 0.000 0.990 419 V HN 0.522 nan 8.190 nan 0.000 0.453 420 V N 3.350 122.928 119.914 -0.559 0.000 2.850 420 V HA 0.725 4.829 4.120 -0.027 0.000 0.315 420 V C -0.313 175.249 176.094 -0.888 0.000 1.064 420 V CA -0.951 60.937 62.300 -0.685 0.000 0.979 420 V CB 1.903 33.361 31.823 -0.607 0.000 1.039 420 V HN 0.827 nan 8.190 nan 0.000 0.452 421 M N 3.007 122.040 119.600 -0.945 0.000 2.404 421 M HA 0.626 5.090 4.480 -0.027 0.000 0.338 421 M C -0.517 175.359 176.300 -0.706 0.000 1.150 421 M CA -0.589 54.184 55.300 -0.879 0.000 1.016 421 M CB 1.532 33.501 32.600 -1.052 0.000 1.672 421 M HN 0.898 nan 8.290 nan 0.000 0.448 422 R N 4.854 125.141 120.500 -0.355 0.000 2.538 422 R HA 0.601 4.924 4.340 -0.027 0.000 0.292 422 R C -2.013 174.258 176.300 -0.048 0.000 1.008 422 R CA -0.475 55.553 56.100 -0.119 0.000 0.896 422 R CB 1.387 31.734 30.300 0.078 0.000 1.187 422 R HN 0.795 nan 8.270 nan 0.000 0.440 423 I N 4.721 125.278 120.570 -0.022 0.000 2.362 423 I HA 0.321 4.474 4.170 -0.027 0.000 0.289 423 I C -0.059 176.004 176.117 -0.090 0.000 0.994 423 I CA -0.801 60.471 61.300 -0.046 0.000 1.158 423 I CB 1.838 39.840 38.000 0.004 0.000 1.315 423 I HN 0.372 nan 8.210 nan 0.000 0.451 424 M N 5.166 124.660 119.600 -0.177 0.000 2.188 424 M HA 0.273 4.736 4.480 -0.027 0.000 0.357 424 M C -0.872 175.346 176.300 -0.137 0.000 1.204 424 M CA -0.375 54.790 55.300 -0.226 0.000 1.095 424 M CB 1.062 33.415 32.600 -0.412 0.000 1.604 424 M HN 0.557 nan 8.290 nan 0.000 0.464 425 C N 5.610 124.909 119.300 -0.002 0.000 2.239 425 C HA 0.588 5.032 4.460 -0.027 0.000 0.323 425 C C 0.660 175.749 174.990 0.165 0.000 1.205 425 C CA -0.860 58.253 59.018 0.158 0.000 1.584 425 C CB -0.473 27.390 27.740 0.205 0.000 2.201 425 C HN 0.863 nan 8.230 nan 0.000 0.475 426 R N 1.983 122.548 120.500 0.108 0.000 2.943 426 R HA 0.665 4.989 4.340 -0.027 0.000 0.246 426 R C -0.224 176.104 176.300 0.046 0.000 1.201 426 R CA -0.936 55.182 56.100 0.030 0.000 1.056 426 R CB 0.959 31.157 30.300 -0.171 0.000 1.243 426 R HN 0.597 nan 8.270 nan 0.000 0.498 427 R N -0.400 120.082 120.500 -0.028 0.000 2.522 427 R HA 0.183 4.507 4.340 -0.027 0.000 0.284 427 R C 0.339 176.559 176.300 -0.134 0.000 1.032 427 R CA 1.733 57.770 56.100 -0.105 0.000 1.049 427 R CB 0.082 30.294 30.300 -0.147 0.000 0.956 427 R HN 0.954 nan 8.270 nan 0.000 0.422 428 G N 3.803 112.447 108.800 -0.259 0.000 2.284 428 G HA2 -0.280 3.664 3.960 -0.027 0.000 0.216 428 G HA3 -0.280 3.664 3.960 -0.027 0.000 0.216 428 G C -0.150 174.688 174.900 -0.103 0.000 1.009 428 G CA -0.023 44.930 45.100 -0.245 0.000 0.625 428 G HN 0.582 nan 8.290 nan 0.000 0.501 429 F N 4.468 124.329 119.950 -0.149 0.000 2.652 429 F HA 0.554 5.064 4.527 -0.029 0.000 0.352 429 F C 0.485 176.326 175.800 0.068 0.000 1.259 429 F CA -1.097 56.865 58.000 -0.064 0.000 1.249 429 F CB -0.046 38.955 39.000 0.002 0.000 1.628 429 F HN 0.076 nan 8.300 nan 0.000 0.654 430 E N 3.197 123.365 120.200 -0.054 0.000 2.280 430 E HA 0.073 4.407 4.350 -0.027 0.000 0.261 430 E C 1.249 177.767 176.600 -0.137 0.000 1.088 430 E CA -0.523 55.855 56.400 -0.037 0.000 0.915 430 E CB 0.775 30.535 29.700 0.101 0.000 1.141 430 E HN 0.545 nan 8.360 nan 0.000 0.433 431 M N 1.382 120.900 119.600 -0.137 0.000 2.103 431 M HA -0.233 4.231 4.480 -0.027 0.000 0.255 431 M C 1.024 177.228 176.300 -0.160 0.000 1.074 431 M CA 1.874 57.067 55.300 -0.179 0.000 1.090 431 M CB -0.428 32.055 32.600 -0.196 0.000 1.325 431 M HN 0.387 nan 8.290 nan 0.000 0.403 432 D N -0.910 119.399 120.400 -0.151 0.000 2.149 432 D HA -0.170 4.453 4.640 -0.027 0.000 0.198 432 D C 1.886 178.053 176.300 -0.221 0.000 0.990 432 D CA 1.582 55.449 54.000 -0.222 0.000 0.839 432 D CB -0.391 40.194 40.800 -0.358 0.000 0.948 432 D HN 0.450 nan 8.370 nan 0.000 0.460 433 F N 1.179 121.080 119.950 -0.081 0.000 2.293 433 F HA 0.046 4.555 4.527 -0.029 0.000 0.297 433 F C 2.503 178.285 175.800 -0.029 0.000 1.089 433 F CA 0.559 58.593 58.000 0.057 0.000 1.377 433 F CB -0.462 38.630 39.000 0.154 0.000 1.051 433 F HN -0.104 nan 8.300 nan 0.000 0.511 434 A N 0.026 122.712 122.820 -0.224 0.000 1.877 434 A HA -0.181 4.122 4.320 -0.027 0.000 0.216 434 A C 2.229 179.861 177.584 0.080 0.000 1.186 434 A CA 1.578 53.556 52.037 -0.098 0.000 0.620 434 A CB -0.613 18.342 19.000 -0.075 0.000 0.822 434 A HN 0.202 nan 8.150 nan 0.000 0.443 435 E N -0.488 119.765 120.200 0.089 0.000 2.086 435 E HA -0.222 4.112 4.350 -0.027 0.000 0.200 435 E C 1.923 178.588 176.600 0.107 0.000 1.012 435 E CA 1.410 57.876 56.400 0.109 0.000 0.812 435 E CB -0.497 29.227 29.700 0.040 0.000 0.743 435 E HN 0.476 nan 8.360 nan 0.000 0.453 436 L N 0.912 122.226 121.223 0.152 0.000 2.072 436 L HA -0.067 4.257 4.340 -0.027 0.000 0.205 436 L C 2.273 179.304 176.870 0.269 0.000 1.079 436 L CA 1.262 56.249 54.840 0.245 0.000 0.752 436 L CB -0.936 41.337 42.059 0.356 0.000 0.906 436 L HN 0.161 nan 8.230 nan 0.000 0.436 437 L N -0.948 120.339 121.223 0.107 0.000 2.012 437 L HA -0.266 4.057 4.340 -0.027 0.000 0.210 437 L C 2.525 179.330 176.870 -0.109 0.000 1.073 437 L CA 1.858 56.477 54.840 -0.368 0.000 0.748 437 L CB -0.401 41.296 42.059 -0.603 0.000 0.891 437 L HN 0.324 nan 8.230 nan 0.000 0.431 438 L N -0.412 120.789 121.223 -0.036 0.000 2.187 438 L HA -0.263 4.060 4.340 -0.027 0.000 0.213 438 L C 2.514 179.427 176.870 0.071 0.000 1.100 438 L CA 1.298 56.127 54.840 -0.020 0.000 0.765 438 L CB -0.314 41.715 42.059 -0.049 0.000 0.904 438 L HN 0.396 nan 8.230 nan 0.000 0.437 439 E N -0.370 119.889 120.200 0.098 0.000 2.076 439 E HA -0.177 4.156 4.350 -0.027 0.000 0.190 439 E C 1.692 178.377 176.600 0.141 0.000 0.979 439 E CA 0.894 57.363 56.400 0.116 0.000 0.807 439 E CB 0.073 29.844 29.700 0.118 0.000 0.761 439 E HN 0.463 nan 8.360 nan 0.000 0.454 440 D N 0.150 120.655 120.400 0.175 0.000 2.144 440 D HA -0.179 4.445 4.640 -0.027 0.000 0.199 440 D C 1.715 178.096 176.300 0.134 0.000 0.984 440 D CA 0.946 55.058 54.000 0.185 0.000 0.834 440 D CB -0.241 40.754 40.800 0.325 0.000 0.955 440 D HN 0.167 nan 8.370 nan 0.000 0.465 441 Y N 1.976 122.261 120.300 -0.024 0.000 2.089 441 Y HA -0.216 4.318 4.550 -0.028 0.000 0.282 441 Y C 2.285 178.181 175.900 -0.006 0.000 1.139 441 Y CA 1.698 59.777 58.100 -0.035 0.000 1.123 441 Y CB -0.066 38.356 38.460 -0.065 0.000 0.980 441 Y HN -0.175 nan 8.280 nan 0.000 0.493 442 K N -0.265 120.296 120.400 0.269 0.000 2.074 442 K HA -0.254 4.049 4.320 -0.027 0.000 0.209 442 K C 2.267 178.925 176.600 0.098 0.000 1.048 442 K CA 1.425 57.812 56.287 0.166 0.000 0.926 442 K CB -0.492 32.082 32.500 0.123 0.000 0.713 442 K HN 0.418 nan 8.250 nan 0.000 0.444 443 A N 0.831 123.708 122.820 0.095 0.000 1.933 443 A HA -0.138 4.166 4.320 -0.027 0.000 0.218 443 A C 2.188 179.819 177.584 0.077 0.000 1.175 443 A CA 1.767 53.858 52.037 0.089 0.000 0.628 443 A CB -0.384 18.671 19.000 0.092 0.000 0.814 443 A HN 0.176 nan 8.150 nan 0.000 0.444 444 S N -0.219 115.491 115.700 0.015 0.000 2.387 444 S HA -0.002 4.451 4.470 -0.027 0.000 0.226 444 S C 1.791 176.353 174.600 -0.064 0.000 1.026 444 S CA 1.071 59.249 58.200 -0.037 0.000 0.972 444 S CB -0.375 62.740 63.200 -0.143 0.000 0.814 444 S HN 0.523 nan 8.310 nan 0.000 0.477 445 L N 1.411 122.565 121.223 -0.117 0.000 2.046 445 L HA -0.137 4.187 4.340 -0.027 0.000 0.208 445 L C 2.567 179.426 176.870 -0.018 0.000 1.077 445 L CA 1.365 56.118 54.840 -0.146 0.000 0.747 445 L CB -0.474 41.543 42.059 -0.070 0.000 0.896 445 L HN 0.300 nan 8.230 nan 0.000 0.432 446 K N -0.450 119.978 120.400 0.047 0.000 2.097 446 K HA -0.235 4.068 4.320 -0.027 0.000 0.205 446 K C 2.263 178.919 176.600 0.092 0.000 1.050 446 K CA 1.290 57.614 56.287 0.063 0.000 0.938 446 K CB -0.166 32.378 32.500 0.074 0.000 0.718 446 K HN 0.173 nan 8.250 nan 0.000 0.442 447 Y N 1.242 121.568 120.300 0.043 0.000 2.220 447 Y HA -0.105 4.429 4.550 -0.027 0.000 0.291 447 Y C 1.730 177.735 175.900 0.175 0.000 1.129 447 Y CA 1.240 59.423 58.100 0.139 0.000 1.161 447 Y CB 0.029 38.553 38.460 0.108 0.000 0.997 447 Y HN -0.022 nan 8.280 nan 0.000 0.522 448 L N -0.831 120.520 121.223 0.212 0.000 2.083 448 L HA -0.233 4.090 4.340 -0.027 0.000 0.209 448 L C 2.759 179.667 176.870 0.064 0.000 1.083 448 L CA 1.709 56.627 54.840 0.131 0.000 0.752 448 L CB -0.666 41.414 42.059 0.035 0.000 0.899 448 L HN 0.247 nan 8.230 nan 0.000 0.433 449 S N -0.851 114.864 115.700 0.025 0.000 2.436 449 S HA -0.138 4.316 4.470 -0.027 0.000 0.228 449 S C 1.526 176.070 174.600 -0.094 0.000 1.014 449 S CA 1.007 59.209 58.200 0.004 0.000 0.950 449 S CB -0.105 63.105 63.200 0.018 0.000 0.784 449 S HN 0.371 nan 8.310 nan 0.000 0.504 450 D N 0.264 120.539 120.400 -0.208 0.000 2.323 450 D HA 0.097 4.720 4.640 -0.027 0.000 0.209 450 D C -0.159 175.673 176.300 -0.780 0.000 0.973 450 D CA 0.727 54.438 54.000 -0.481 0.000 0.874 450 D CB 0.005 40.448 40.800 -0.594 0.000 0.930 450 D HN 0.582 nan 8.370 nan 0.000 0.521 451 H N -1.165 117.787 119.070 -0.197 0.000 2.379 451 H HA 0.215 4.755 4.556 -0.027 0.000 0.229 451 H C -1.830 173.465 175.328 -0.055 0.000 1.423 451 H CA -1.221 54.724 56.048 -0.171 0.000 1.375 451 H CB 1.261 30.833 29.762 -0.316 0.000 1.592 451 H HN -0.072 nan 8.280 nan 0.000 0.507 452 P HA -0.156 nan 4.420 nan 0.000 0.221 452 P C 1.170 178.508 177.300 0.065 0.000 1.145 452 P CA 1.089 64.217 63.100 0.047 0.000 0.795 452 P CB 0.405 32.115 31.700 0.016 0.000 0.775 453 K N -0.583 119.857 120.400 0.067 0.000 2.283 453 K HA 0.008 4.311 4.320 -0.027 0.000 0.202 453 K C 1.871 178.516 176.600 0.074 0.000 1.048 453 K CA 0.602 56.925 56.287 0.061 0.000 0.948 453 K CB -0.526 32.007 32.500 0.054 0.000 0.742 453 K HN 0.194 nan 8.250 nan 0.000 0.458 454 L N 1.180 122.463 121.223 0.099 0.000 2.261 454 L HA -0.158 4.166 4.340 -0.027 0.000 0.216 454 L C 1.338 178.274 176.870 0.111 0.000 1.114 454 L CA 0.586 55.493 54.840 0.112 0.000 0.777 454 L CB -0.263 41.888 42.059 0.152 0.000 0.910 454 L HN 0.326 nan 8.230 nan 0.000 0.440 455 Q N -0.099 119.767 119.800 0.109 0.000 2.286 455 Q HA 0.118 4.441 4.340 -0.027 0.000 0.290 455 Q C 1.148 177.200 176.000 0.087 0.000 1.049 455 Q CA 0.884 56.754 55.803 0.112 0.000 0.923 455 Q CB 0.516 29.310 28.738 0.094 0.000 1.183 455 Q HN 0.355 nan 8.270 nan 0.000 0.383 456 G N 3.610 112.469 108.800 0.097 0.000 2.234 456 G HA2 -0.307 3.636 3.960 -0.027 0.000 0.260 456 G HA3 -0.307 3.636 3.960 -0.027 0.000 0.260 456 G C 0.582 175.515 174.900 0.054 0.000 0.987 456 G CA 0.450 45.595 45.100 0.075 0.000 0.625 456 G HN 0.701 nan 8.290 nan 0.000 0.532 457 I N 1.622 122.226 120.570 0.056 0.000 2.233 457 I HA 0.225 4.378 4.170 -0.027 0.000 0.243 457 I C 2.124 178.246 176.117 0.008 0.000 1.093 457 I CA 1.135 62.454 61.300 0.032 0.000 1.380 457 I CB -0.220 37.804 38.000 0.040 0.000 1.067 457 I HN 0.419 nan 8.210 nan 0.000 0.413 458 A N 1.506 124.341 122.820 0.025 0.000 2.409 458 A HA 0.293 4.597 4.320 -0.027 0.000 0.262 458 A C 0.483 177.976 177.584 -0.152 0.000 1.113 458 A CA -0.134 51.893 52.037 -0.016 0.000 0.790 458 A CB 0.051 19.087 19.000 0.059 0.000 1.046 458 A HN 0.518 nan 8.150 nan 0.000 0.496 459 Q N 1.300 120.915 119.800 -0.308 0.000 1.986 459 Q HA 0.198 4.522 4.340 -0.027 0.000 0.225 459 Q C -0.505 175.127 176.000 -0.613 0.000 0.836 459 Q CA -0.421 54.984 55.803 -0.664 0.000 1.008 459 Q CB -0.091 28.435 28.738 -0.353 0.000 1.253 459 Q HN 0.610 nan 8.270 nan 0.000 0.415 460 Q N 1.608 121.172 119.800 -0.394 0.000 2.241 460 Q HA 0.365 4.689 4.340 -0.027 0.000 0.254 460 Q C -0.890 175.080 176.000 -0.051 0.000 0.917 460 Q CA -0.165 55.535 55.803 -0.172 0.000 0.919 460 Q CB 1.208 29.912 28.738 -0.057 0.000 1.237 460 Q HN 0.152 nan 8.270 nan 0.000 0.434 461 N N 0.860 119.611 118.700 0.085 0.000 2.479 461 N HA 0.182 4.905 4.740 -0.027 0.000 0.257 461 N C -0.819 174.818 175.510 0.212 0.000 1.232 461 N CA 0.217 53.426 53.050 0.266 0.000 0.920 461 N CB 0.731 39.357 38.487 0.232 0.000 1.105 461 N HN 0.518 nan 8.380 nan 0.000 0.444 462 S N 0.696 116.551 115.700 0.259 0.000 2.693 462 S HA 0.308 4.762 4.470 -0.027 0.000 0.276 462 S C -0.122 174.574 174.600 0.160 0.000 1.192 462 S CA -0.642 57.683 58.200 0.208 0.000 0.994 462 S CB 0.420 63.753 63.200 0.222 0.000 1.012 462 S HN 0.433 nan 8.310 nan 0.000 0.550 463 F N 2.783 122.731 119.950 -0.003 0.000 2.602 463 F HA 0.125 4.635 4.527 -0.028 0.000 0.385 463 F C 1.267 176.960 175.800 -0.178 0.000 1.063 463 F CA -0.194 57.765 58.000 -0.068 0.000 1.233 463 F CB 0.269 39.257 39.000 -0.019 0.000 1.067 463 F HN 0.646 nan 8.300 nan 0.000 0.564 464 K N 3.598 123.446 120.400 -0.920 0.000 2.440 464 K HA 0.136 4.439 4.320 -0.027 0.000 0.207 464 K C 0.708 176.623 176.600 -1.141 0.000 1.112 464 K CA 0.074 55.671 56.287 -1.150 0.000 1.036 464 K CB 0.087 31.613 32.500 -1.623 0.000 0.935 464 K HN 0.589 nan 8.250 nan 0.000 0.564 465 H N 0.401 118.733 119.070 -1.229 0.000 2.575 465 H HA 0.217 4.756 4.556 -0.028 0.000 0.267 465 H C -0.069 174.845 175.328 -0.689 0.000 0.966 465 H CA 0.792 56.344 56.048 -0.826 0.000 1.165 465 H CB 1.233 30.681 29.762 -0.524 0.000 1.433 465 H HN 0.238 nan 8.280 nan 0.000 0.544 466 T N 0.000 114.224 114.554 -0.550 0.000 3.816 466 T HA 0.000 4.334 4.350 -0.027 0.000 0.228 466 T CA 0.000 61.950 62.100 -0.250 0.000 1.349 466 T CB 0.000 68.788 68.868 -0.133 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658