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 3ls9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILIRGLTRV ITFDDQEREL EDADILIDGP KIVAVGKDLS DRSVSRTIDG DATA SEQUENCE RGMIALPGLI NSHQHLYEGA MRAIPQLERV TMASWLEGVL TRSAGWWRDG DATA SEQUENCE KFGPDVIREV ARAVLLESLL GGITTVADQH LFFPGATADS YIDATIEAAT DATA SEQUENCE DLGIRFHAAR SSMTLGKSEG GFCDDLFVEP VDRVVQHCLG LIDQYHEPEP DATA SEQUENCE FGMVRIALGP CGVPYDKPEL FEAFAQMAAD YDVRLHTHFY EPLDAGMSDH DATA SEQUENCE LYGMTPWRFL EKHGWASDRV WLAHAVVPPR EEIPEFADAG VAIAHLIAPD DATA SEQUENCE LRMGWGLAPI REYLDAGITV GFGTTGSASN DGGNLLGDLR LAALAHRPAD DATA SEQUENCE PNEPEKWLSA RELLRMATRG SAECLGRPDL GVLEEGRAAD IACWRLDGVD DATA SEQUENCE RVGVHDPAIG LIMTGLSDRA SLVVVNGQVL VENERPVLAD LERIVANTTA DATA SEQUENCE LIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.024 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 I N 2.372 122.926 120.570 -0.028 0.000 2.378 2 I HA 0.505 4.674 4.170 -0.002 0.000 0.291 2 I C -1.269 174.834 176.117 -0.024 0.000 0.992 2 I CA -0.876 60.408 61.300 -0.026 0.000 1.154 2 I CB 1.918 39.900 38.000 -0.030 0.000 1.315 2 I HN 0.428 nan 8.210 nan 0.000 0.448 3 L N 8.304 129.516 121.223 -0.020 0.000 2.305 3 L HA 0.564 4.903 4.340 -0.002 0.000 0.284 3 L C -0.741 176.119 176.870 -0.017 0.000 1.013 3 L CA -0.076 54.754 54.840 -0.017 0.000 0.819 3 L CB 1.115 43.165 42.059 -0.014 0.000 1.227 3 L HN 0.394 nan 8.230 nan 0.000 0.417 4 I N 5.580 126.141 120.570 -0.016 0.000 2.297 4 I HA 0.418 4.587 4.170 -0.002 0.000 0.291 4 I C 0.089 176.199 176.117 -0.011 0.000 1.033 4 I CA -0.340 60.951 61.300 -0.015 0.000 1.253 4 I CB 0.728 38.718 38.000 -0.017 0.000 1.396 4 I HN 0.595 nan 8.210 nan 0.000 0.476 5 R N 5.110 125.604 120.500 -0.010 0.000 2.460 5 R HA 0.533 4.871 4.340 -0.002 0.000 0.303 5 R C 0.643 176.939 176.300 -0.005 0.000 0.968 5 R CA 0.028 56.123 56.100 -0.008 0.000 0.889 5 R CB 1.470 31.765 30.300 -0.008 0.000 1.123 5 R HN 0.861 nan 8.270 nan 0.000 0.455 6 G N 3.795 112.592 108.800 -0.004 0.000 2.160 6 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.244 6 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.244 6 G C 0.019 174.919 174.900 -0.000 0.000 1.022 6 G CA 0.064 45.162 45.100 -0.002 0.000 0.741 6 G HN 0.534 nan 8.290 nan 0.000 0.508 7 L N 0.316 121.540 121.223 0.001 0.000 2.578 7 L HA 0.101 4.440 4.340 -0.002 0.000 0.279 7 L C 2.191 179.064 176.870 0.007 0.000 1.227 7 L CA 0.759 55.603 54.840 0.006 0.000 0.900 7 L CB 0.268 42.331 42.059 0.008 0.000 1.144 7 L HN 0.251 nan 8.230 nan 0.000 0.496 8 T N 1.187 115.748 114.554 0.011 0.000 2.746 8 T HA -0.114 4.235 4.350 -0.002 0.000 0.267 8 T C 0.756 175.459 174.700 0.006 0.000 1.039 8 T CA 1.261 63.366 62.100 0.008 0.000 1.142 8 T CB -0.118 68.757 68.868 0.012 0.000 0.866 8 T HN 0.386 nan 8.240 nan 0.000 0.444 9 R N 0.262 120.768 120.500 0.010 0.000 2.604 9 R HA 0.548 4.886 4.340 -0.002 0.000 0.281 9 R C -2.250 174.051 176.300 0.001 0.000 1.020 9 R CA -0.513 55.587 56.100 0.000 0.000 0.899 9 R CB 1.533 31.832 30.300 -0.000 0.000 1.205 9 R HN -0.070 nan 8.270 nan 0.000 0.450 10 V N 5.740 125.642 119.914 -0.019 0.000 2.487 10 V HA 0.542 4.661 4.120 -0.002 0.000 0.298 10 V C -0.536 175.511 176.094 -0.078 0.000 1.028 10 V CA -0.792 61.492 62.300 -0.027 0.000 0.860 10 V CB 1.855 33.666 31.823 -0.021 0.000 0.991 10 V HN 0.583 nan 8.190 nan 0.000 0.427 11 I N 4.613 125.112 120.570 -0.117 0.000 2.354 11 I HA 0.276 4.445 4.170 -0.002 0.000 0.286 11 I C 1.408 177.332 176.117 -0.321 0.000 1.007 11 I CA -0.124 61.001 61.300 -0.292 0.000 1.167 11 I CB 1.381 39.137 38.000 -0.407 0.000 1.320 11 I HN 0.803 nan 8.210 nan 0.000 0.458 12 T N 1.776 116.157 114.554 -0.288 0.000 3.009 12 T HA 0.013 4.361 4.350 -0.002 0.000 0.258 12 T C 0.891 175.579 174.700 -0.020 0.000 1.063 12 T CA 0.304 62.334 62.100 -0.117 0.000 1.139 12 T CB -0.232 68.606 68.868 -0.049 0.000 0.890 12 T HN 0.362 nan 8.240 nan 0.000 0.471 13 F N 2.615 122.580 119.950 0.024 0.000 3.100 13 F HA -0.152 4.373 4.527 -0.002 0.000 0.283 13 F C 0.457 176.269 175.800 0.021 0.000 0.900 13 F CA 0.137 58.150 58.000 0.022 0.000 1.010 13 F CB -2.668 36.347 39.000 0.024 0.000 1.029 13 F HN 0.544 nan 8.300 nan 0.000 0.637 14 D N -0.530 119.940 120.400 0.116 0.000 2.380 14 D HA 0.085 4.724 4.640 -0.002 0.000 0.254 14 D C 1.156 177.505 176.300 0.082 0.000 1.288 14 D CA 0.082 54.133 54.000 0.086 0.000 1.008 14 D CB 0.488 41.316 40.800 0.047 0.000 1.099 14 D HN 0.001 nan 8.370 nan 0.000 0.537 15 D N -1.300 119.135 120.400 0.059 0.000 2.310 15 D HA -0.091 4.548 4.640 -0.002 0.000 0.212 15 D C 1.054 177.381 176.300 0.044 0.000 0.965 15 D CA 0.857 54.887 54.000 0.051 0.000 0.879 15 D CB 0.075 40.898 40.800 0.038 0.000 0.921 15 D HN 0.321 nan 8.370 nan 0.000 0.510 16 Q N 0.157 119.979 119.800 0.037 0.000 2.219 16 Q HA 0.044 4.383 4.340 -0.002 0.000 0.209 16 Q C -0.176 175.839 176.000 0.025 0.000 0.854 16 Q CA 0.060 55.879 55.803 0.027 0.000 0.960 16 Q CB 0.801 29.549 28.738 0.017 0.000 1.116 16 Q HN 0.148 nan 8.270 nan 0.000 0.500 17 E N 0.366 120.589 120.200 0.038 0.000 2.476 17 E HA -0.221 4.128 4.350 -0.002 0.000 0.251 17 E C -0.484 176.096 176.600 -0.034 0.000 1.130 17 E CA 0.536 56.950 56.400 0.024 0.000 0.736 17 E CB -1.779 27.950 29.700 0.047 0.000 1.298 17 E HN 0.426 nan 8.360 nan 0.000 0.400 18 R N 0.585 121.063 120.500 -0.036 0.000 2.590 18 R HA 0.244 4.582 4.340 -0.002 0.000 0.274 18 R C 0.747 176.993 176.300 -0.091 0.000 1.061 18 R CA 0.467 56.539 56.100 -0.047 0.000 1.081 18 R CB 0.693 30.976 30.300 -0.028 0.000 0.984 18 R HN 0.165 nan 8.270 nan 0.000 0.448 19 E N 2.023 122.177 120.200 -0.077 0.000 2.336 19 E HA 0.465 4.813 4.350 -0.002 0.000 0.267 19 E C -1.143 175.426 176.600 -0.051 0.000 0.906 19 E CA -0.954 55.394 56.400 -0.087 0.000 0.781 19 E CB 1.962 31.607 29.700 -0.093 0.000 1.261 19 E HN 0.122 nan 8.360 nan 0.000 0.436 20 L N 0.988 122.184 121.223 -0.045 0.000 2.409 20 L HA 0.381 4.719 4.340 -0.002 0.000 0.262 20 L C -0.564 176.294 176.870 -0.021 0.000 0.992 20 L CA -0.532 54.292 54.840 -0.027 0.000 0.817 20 L CB 2.019 44.065 42.059 -0.022 0.000 1.350 20 L HN 0.440 nan 8.230 nan 0.000 0.411 21 E N 1.298 121.490 120.200 -0.014 0.000 2.195 21 E HA 0.365 4.714 4.350 -0.002 0.000 0.271 21 E C -1.250 175.346 176.600 -0.006 0.000 0.923 21 E CA -0.767 55.627 56.400 -0.009 0.000 0.790 21 E CB 1.302 30.998 29.700 -0.006 0.000 1.155 21 E HN 0.523 nan 8.360 nan 0.000 0.402 22 D N 0.895 121.293 120.400 -0.004 0.000 2.812 22 D HA -0.191 4.448 4.640 -0.002 0.000 0.237 22 D C -0.944 175.354 176.300 -0.004 0.000 1.162 22 D CA 1.161 55.159 54.000 -0.003 0.000 0.740 22 D CB -0.964 39.834 40.800 -0.002 0.000 1.000 22 D HN 0.511 nan 8.370 nan 0.000 0.416 23 A N 0.450 123.267 122.820 -0.004 0.000 2.530 23 A HA 0.733 5.051 4.320 -0.002 0.000 0.288 23 A C -0.902 176.679 177.584 -0.004 0.000 1.172 23 A CA -0.793 51.241 52.037 -0.005 0.000 0.733 23 A CB 1.855 20.850 19.000 -0.007 0.000 1.320 23 A HN -0.000 nan 8.150 nan 0.000 0.419 24 D N -0.331 120.066 120.400 -0.005 0.000 2.419 24 D HA 0.666 5.305 4.640 -0.002 0.000 0.234 24 D C -0.985 175.312 176.300 -0.005 0.000 1.014 24 D CA 0.026 54.023 54.000 -0.005 0.000 0.919 24 D CB 1.699 42.495 40.800 -0.006 0.000 1.366 24 D HN 0.414 nan 8.370 nan 0.000 0.490 25 I N 1.084 121.650 120.570 -0.007 0.000 2.466 25 I HA 0.262 4.431 4.170 -0.002 0.000 0.289 25 I C -1.057 175.053 176.117 -0.012 0.000 1.026 25 I CA -0.974 60.322 61.300 -0.007 0.000 1.078 25 I CB 1.994 39.991 38.000 -0.006 0.000 1.249 25 I HN 0.004 nan 8.210 nan 0.000 0.429 26 L N 8.129 129.344 121.223 -0.012 0.000 2.296 26 L HA 0.649 4.988 4.340 -0.002 0.000 0.286 26 L C -0.901 175.955 176.870 -0.023 0.000 1.023 26 L CA -0.084 54.746 54.840 -0.017 0.000 0.812 26 L CB 1.238 43.289 42.059 -0.013 0.000 1.223 26 L HN 0.411 nan 8.230 nan 0.000 0.421 27 I N 3.934 124.486 120.570 -0.031 0.000 2.509 27 I HA 0.415 4.584 4.170 -0.002 0.000 0.293 27 I C -1.145 174.942 176.117 -0.050 0.000 1.020 27 I CA -0.515 60.758 61.300 -0.046 0.000 1.088 27 I CB 2.052 40.023 38.000 -0.049 0.000 1.267 27 I HN 0.508 nan 8.210 nan 0.000 0.430 28 D N 4.581 124.942 120.400 -0.066 0.000 2.473 28 D HA 0.517 5.156 4.640 -0.002 0.000 0.253 28 D C 0.427 176.673 176.300 -0.091 0.000 1.233 28 D CA 0.618 54.580 54.000 -0.063 0.000 0.908 28 D CB 1.328 42.099 40.800 -0.048 0.000 1.170 28 D HN 0.783 nan 8.370 nan 0.000 0.558 29 G N 5.271 114.022 108.800 -0.081 0.000 2.622 29 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.307 29 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.307 29 G C -1.407 173.403 174.900 -0.149 0.000 1.226 29 G CA 0.233 45.274 45.100 -0.098 0.000 0.997 29 G HN 0.529 nan 8.290 nan 0.000 0.551 30 P HA 0.177 nan 4.420 nan 0.000 0.249 30 P C 0.331 177.319 177.300 -0.519 0.000 1.229 30 P CA 1.419 64.310 63.100 -0.349 0.000 0.788 30 P CB -0.020 31.422 31.700 -0.429 0.000 1.072 31 K N -0.357 119.792 120.400 -0.420 0.000 2.395 31 K HA 0.515 4.834 4.320 -0.002 0.000 0.247 31 K C -0.577 175.928 176.600 -0.157 0.000 0.973 31 K CA -1.154 54.910 56.287 -0.371 0.000 0.828 31 K CB 1.694 33.965 32.500 -0.381 0.000 1.272 31 K HN -0.229 nan 8.250 nan 0.000 0.439 32 I N 2.874 123.393 120.570 -0.085 0.000 2.496 32 I HA -0.019 4.149 4.170 -0.002 0.000 0.285 32 I C 0.933 177.039 176.117 -0.019 0.000 1.080 32 I CA -0.481 60.798 61.300 -0.035 0.000 1.404 32 I CB 1.489 39.488 38.000 -0.003 0.000 1.403 32 I HN 0.517 nan 8.210 nan 0.000 0.539 33 V N 5.750 125.652 119.914 -0.019 0.000 2.575 33 V HA 0.245 4.363 4.120 -0.002 0.000 0.242 33 V C 0.694 176.788 176.094 0.000 0.000 1.045 33 V CA 1.070 63.364 62.300 -0.009 0.000 1.065 33 V CB 0.109 31.923 31.823 -0.014 0.000 0.717 33 V HN 0.873 nan 8.190 nan 0.000 0.467 34 A N -0.903 121.916 122.820 -0.002 0.000 2.605 34 A HA 0.707 5.026 4.320 -0.002 0.000 0.294 34 A C -1.651 175.933 177.584 0.000 0.000 1.062 34 A CA -0.335 51.703 52.037 0.001 0.000 0.682 34 A CB 1.921 20.921 19.000 -0.000 0.000 1.278 34 A HN 0.001 nan 8.150 nan 0.000 0.410 35 V N 1.134 121.049 119.914 0.002 0.000 2.524 35 V HA 0.856 4.974 4.120 -0.002 0.000 0.297 35 V C 0.459 176.552 176.094 -0.002 0.000 1.035 35 V CA 0.518 62.818 62.300 0.000 0.000 0.867 35 V CB 1.080 32.905 31.823 0.002 0.000 1.004 35 V HN 2.073 nan 8.190 nan 0.000 0.426 36 G N 3.983 112.781 108.800 -0.004 0.000 2.320 36 G HA2 0.346 4.304 3.960 -0.002 0.000 0.296 36 G HA3 0.346 4.304 3.960 -0.002 0.000 0.296 36 G C -1.608 173.289 174.900 -0.004 0.000 1.306 36 G CA -1.008 44.089 45.100 -0.004 0.000 0.836 36 G HN 0.476 nan 8.290 nan 0.000 0.517 37 K N 0.309 120.706 120.400 -0.004 0.000 2.270 37 K HA 0.387 4.705 4.320 -0.002 0.000 0.276 37 K C -0.115 176.483 176.600 -0.003 0.000 1.023 37 K CA 0.141 56.426 56.287 -0.004 0.000 0.955 37 K CB 0.860 33.358 32.500 -0.004 0.000 0.975 37 K HN 0.643 nan 8.250 nan 0.000 0.471 38 D N 1.933 122.330 120.400 -0.004 0.000 2.735 38 D HA -0.189 4.450 4.640 -0.002 0.000 0.235 38 D C -0.837 175.461 176.300 -0.004 0.000 1.175 38 D CA 0.476 54.474 54.000 -0.004 0.000 0.683 38 D CB -0.853 39.945 40.800 -0.003 0.000 1.008 38 D HN 0.364 nan 8.370 nan 0.000 0.416 39 L N 0.271 121.491 121.223 -0.004 0.000 2.439 39 L HA 0.166 4.504 4.340 -0.002 0.000 0.269 39 L C 1.270 178.137 176.870 -0.005 0.000 1.179 39 L CA -0.271 54.566 54.840 -0.005 0.000 0.828 39 L CB 0.969 43.025 42.059 -0.005 0.000 1.106 39 L HN 0.141 nan 8.230 nan 0.000 0.467 40 S N 0.535 116.232 115.700 -0.005 0.000 2.531 40 S HA 0.019 4.487 4.470 -0.002 0.000 0.279 40 S C 0.440 175.036 174.600 -0.006 0.000 1.305 40 S CA -0.723 57.474 58.200 -0.005 0.000 1.058 40 S CB 0.417 63.614 63.200 -0.004 0.000 0.899 40 S HN 0.671 nan 8.310 nan 0.000 0.493 41 D N 3.715 124.111 120.400 -0.007 0.000 2.336 41 D HA 0.049 4.687 4.640 -0.002 0.000 0.228 41 D C 1.433 177.728 176.300 -0.008 0.000 1.120 41 D CA -0.215 53.780 54.000 -0.008 0.000 0.839 41 D CB -0.161 40.634 40.800 -0.008 0.000 0.932 41 D HN 0.603 nan 8.370 nan 0.000 0.509 42 R N 1.208 121.704 120.500 -0.007 0.000 2.234 42 R HA -0.262 4.076 4.340 -0.002 0.000 0.241 42 R C 0.547 176.842 176.300 -0.007 0.000 1.115 42 R CA 2.426 58.522 56.100 -0.006 0.000 0.913 42 R CB -0.409 29.888 30.300 -0.005 0.000 0.911 42 R HN 0.305 nan 8.270 nan 0.000 0.430 43 S N -0.552 115.143 115.700 -0.008 0.000 2.499 43 S HA 0.358 4.827 4.470 -0.002 0.000 0.238 43 S C -0.463 174.130 174.600 -0.011 0.000 1.205 43 S CA -1.022 57.172 58.200 -0.009 0.000 1.203 43 S CB 1.085 64.280 63.200 -0.009 0.000 0.954 43 S HN 0.062 nan 8.310 nan 0.000 0.484 44 V N 2.903 122.810 119.914 -0.011 0.000 2.439 44 V HA 0.394 4.513 4.120 -0.002 0.000 0.282 44 V C 1.247 177.333 176.094 -0.013 0.000 1.039 44 V CA -0.035 62.257 62.300 -0.013 0.000 0.913 44 V CB 1.470 33.286 31.823 -0.013 0.000 0.983 44 V HN 0.741 nan 8.190 nan 0.000 0.460 45 S N 3.943 119.634 115.700 -0.014 0.000 2.511 45 S HA 0.251 4.720 4.470 -0.002 0.000 0.214 45 S C 0.646 175.238 174.600 -0.014 0.000 0.997 45 S CA -0.230 57.962 58.200 -0.014 0.000 0.908 45 S CB 0.239 63.430 63.200 -0.014 0.000 0.803 45 S HN 0.687 nan 8.310 nan 0.000 0.504 46 R N 0.660 121.151 120.500 -0.016 0.000 2.522 46 R HA 0.427 4.766 4.340 -0.002 0.000 0.283 46 R C -1.866 174.424 176.300 -0.017 0.000 1.074 46 R CA -0.127 55.963 56.100 -0.016 0.000 0.925 46 R CB 1.704 31.993 30.300 -0.018 0.000 1.205 46 R HN 0.114 nan 8.270 nan 0.000 0.436 47 T N 5.475 120.020 114.554 -0.015 0.000 2.779 47 T HA 0.485 4.834 4.350 -0.002 0.000 0.280 47 T C -0.068 174.623 174.700 -0.016 0.000 0.987 47 T CA -0.437 61.654 62.100 -0.015 0.000 0.966 47 T CB 0.878 69.739 68.868 -0.012 0.000 0.933 47 T HN 0.377 nan 8.240 nan 0.000 0.442 48 I N 2.516 123.076 120.570 -0.017 0.000 2.377 48 I HA 0.269 4.437 4.170 -0.002 0.000 0.293 48 I C -0.065 176.043 176.117 -0.016 0.000 0.987 48 I CA -0.899 60.390 61.300 -0.019 0.000 1.185 48 I CB 1.590 39.575 38.000 -0.024 0.000 1.341 48 I HN 0.495 nan 8.210 nan 0.000 0.455 49 D N 4.967 125.358 120.400 -0.014 0.000 2.344 49 D HA 0.149 4.787 4.640 -0.002 0.000 0.253 49 D C 0.950 177.243 176.300 -0.011 0.000 1.255 49 D CA 0.031 54.024 54.000 -0.011 0.000 0.894 49 D CB 1.402 42.196 40.800 -0.010 0.000 1.067 49 D HN 0.717 nan 8.370 nan 0.000 0.492 50 G N 3.757 112.552 108.800 -0.008 0.000 3.088 50 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.217 50 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.217 50 G C 0.723 175.624 174.900 0.002 0.000 1.159 50 G CA -0.362 44.735 45.100 -0.005 0.000 0.760 50 G HN 0.379 nan 8.290 nan 0.000 0.550 51 R N 0.072 120.573 120.500 0.000 0.000 2.538 51 R HA 0.354 4.693 4.340 -0.002 0.000 0.282 51 R C 1.369 177.673 176.300 0.007 0.000 1.009 51 R CA 1.029 57.130 56.100 0.003 0.000 1.063 51 R CB 0.338 30.638 30.300 0.000 0.000 0.945 51 R HN 0.256 nan 8.270 nan 0.000 0.414 52 G N 2.152 110.959 108.800 0.011 0.000 2.157 52 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.248 52 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.248 52 G C 0.035 174.954 174.900 0.031 0.000 0.979 52 G CA -0.106 45.004 45.100 0.016 0.000 0.650 52 G HN 0.468 nan 8.290 nan 0.000 0.529 53 M N -0.079 119.542 119.600 0.034 0.000 2.598 53 M HA 0.648 5.127 4.480 -0.002 0.000 0.317 53 M C -0.142 176.200 176.300 0.069 0.000 1.179 53 M CA -0.912 54.423 55.300 0.059 0.000 0.936 53 M CB 2.603 35.227 32.600 0.041 0.000 1.713 53 M HN 0.170 nan 8.290 nan 0.000 0.460 54 I N 1.631 122.273 120.570 0.119 0.000 2.359 54 I HA 0.659 4.828 4.170 -0.002 0.000 0.294 54 I C -0.802 175.421 176.117 0.176 0.000 0.987 54 I CA -0.338 61.035 61.300 0.123 0.000 1.225 54 I CB 1.092 39.161 38.000 0.115 0.000 1.366 54 I HN 0.812 nan 8.210 nan 0.000 0.466 55 A N 7.879 130.770 122.820 0.118 0.000 2.318 55 A HA 0.784 5.102 4.320 -0.002 0.000 0.324 55 A C -1.315 176.348 177.584 0.131 0.000 1.170 55 A CA -0.475 51.634 52.037 0.119 0.000 0.810 55 A CB 1.082 20.114 19.000 0.054 0.000 1.198 55 A HN 0.625 nan 8.150 nan 0.000 0.484 56 L N 2.251 123.597 121.223 0.205 0.000 2.309 56 L HA 0.620 4.958 4.340 -0.002 0.000 0.261 56 L C -2.362 174.624 176.870 0.193 0.000 1.021 56 L CA -1.878 53.092 54.840 0.217 0.000 0.823 56 L CB 1.844 44.107 42.059 0.341 0.000 1.366 56 L HN 0.386 nan 8.230 nan 0.000 0.423 57 P HA 0.102 nan 4.420 nan 0.000 0.267 57 P C -0.223 177.178 177.300 0.168 0.000 1.200 57 P CA -0.260 62.943 63.100 0.171 0.000 0.772 57 P CB 0.272 32.092 31.700 0.199 0.000 0.855 58 G N 2.889 111.756 108.800 0.112 0.000 2.321 58 G HA2 0.097 4.056 3.960 -0.002 0.000 0.237 58 G HA3 0.097 4.056 3.960 -0.002 0.000 0.237 58 G C -0.057 174.913 174.900 0.118 0.000 1.282 58 G CA -0.465 44.696 45.100 0.102 0.000 0.886 58 G HN 0.424 nan 8.290 nan 0.000 0.528 59 L N 1.263 122.577 121.223 0.151 0.000 2.461 59 L HA 0.270 4.609 4.340 -0.002 0.000 0.272 59 L C 0.407 177.321 176.870 0.074 0.000 1.197 59 L CA 0.106 55.019 54.840 0.122 0.000 0.836 59 L CB 0.561 42.718 42.059 0.162 0.000 1.105 59 L HN 0.328 nan 8.230 nan 0.000 0.477 60 I N 2.553 123.148 120.570 0.042 0.000 2.411 60 I HA 0.189 4.357 4.170 -0.002 0.000 0.284 60 I C -0.260 175.872 176.117 0.025 0.000 1.012 60 I CA -0.452 60.851 61.300 0.005 0.000 1.119 60 I CB 1.593 39.558 38.000 -0.060 0.000 1.261 60 I HN 0.510 nan 8.210 nan 0.000 0.448 61 N N 4.127 122.854 118.700 0.044 0.000 2.439 61 N HA 0.076 4.814 4.740 -0.002 0.000 0.243 61 N C 0.830 176.369 175.510 0.050 0.000 1.088 61 N CA -0.094 53.006 53.050 0.084 0.000 0.940 61 N CB 1.061 39.611 38.487 0.105 0.000 1.180 61 N HN 0.623 nan 8.380 nan 0.000 0.505 62 S N 1.972 117.712 115.700 0.066 0.000 2.650 62 S HA 0.016 4.485 4.470 -0.002 0.000 0.219 62 S C 0.204 174.970 174.600 0.277 0.000 0.960 62 S CA 0.116 58.348 58.200 0.053 0.000 0.925 62 S CB -0.309 62.870 63.200 -0.035 0.000 0.775 62 S HN 0.710 nan 8.310 nan 0.000 0.525 63 H N 0.235 119.360 119.070 0.091 0.000 3.278 63 H HA 0.446 5.001 4.556 -0.002 0.000 0.326 63 H C -1.097 174.221 175.328 -0.017 0.000 1.113 63 H CA -0.183 55.908 56.048 0.072 0.000 1.553 63 H CB 0.586 30.404 29.762 0.092 0.000 1.997 63 H HN 0.056 nan 8.280 nan 0.000 0.456 64 Q N 2.252 121.874 119.800 -0.297 0.000 2.416 64 Q HA 0.359 4.698 4.340 -0.002 0.000 0.279 64 Q C -0.865 174.869 176.000 -0.443 0.000 1.101 64 Q CA -0.850 54.818 55.803 -0.224 0.000 0.830 64 Q CB 1.995 30.750 28.738 0.028 0.000 1.402 64 Q HN 0.734 nan 8.270 nan 0.000 0.445 65 H N 2.971 122.110 119.070 0.114 0.000 2.716 65 H HA 0.236 4.791 4.556 -0.002 0.000 0.260 65 H C 0.925 176.420 175.328 0.278 0.000 1.280 65 H CA -0.071 56.112 56.048 0.225 0.000 1.506 65 H CB 0.452 30.376 29.762 0.270 0.000 1.514 65 H HN 0.440 nan 8.280 nan 0.000 0.502 66 L N 1.177 122.636 121.223 0.394 0.000 2.079 66 L HA -0.252 4.087 4.340 -0.002 0.000 0.210 66 L C 2.426 179.493 176.870 0.328 0.000 1.081 66 L CA 1.645 56.675 54.840 0.316 0.000 0.752 66 L CB -0.538 41.695 42.059 0.291 0.000 0.896 66 L HN 0.593 nan 8.230 nan 0.000 0.433 67 Y N -0.022 120.400 120.300 0.203 0.000 2.403 67 Y HA -0.162 4.387 4.550 -0.002 0.000 0.291 67 Y C 1.953 177.981 175.900 0.213 0.000 1.143 67 Y CA 0.763 58.960 58.100 0.161 0.000 1.257 67 Y CB -0.705 37.809 38.460 0.090 0.000 0.984 67 Y HN 0.194 nan 8.280 nan 0.000 0.550 68 E N 0.989 121.039 120.200 -0.249 0.000 2.478 68 E HA -0.051 4.297 4.350 -0.002 0.000 0.198 68 E C 2.289 178.887 176.600 -0.003 0.000 1.046 68 E CA 0.397 56.646 56.400 -0.252 0.000 0.870 68 E CB -0.161 29.452 29.700 -0.146 0.000 0.818 68 E HN 0.756 nan 8.360 nan 0.000 0.527 69 G N 1.416 110.262 108.800 0.077 0.000 2.479 69 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.220 69 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.220 69 G C 1.491 176.446 174.900 0.091 0.000 1.115 69 G CA 0.705 45.860 45.100 0.092 0.000 0.757 69 G HN 0.330 nan 8.290 nan 0.000 0.560 70 A N -0.157 122.742 122.820 0.132 0.000 2.238 70 A HA 0.482 4.801 4.320 -0.002 0.000 0.208 70 A C 1.657 179.313 177.584 0.120 0.000 1.177 70 A CA 0.330 52.446 52.037 0.132 0.000 0.804 70 A CB -0.114 19.052 19.000 0.277 0.000 0.823 70 A HN 0.383 nan 8.150 nan 0.000 0.482 71 M N -0.041 119.617 119.600 0.096 0.000 2.809 71 M HA 0.236 4.714 4.480 -0.002 0.000 0.388 71 M C -0.322 176.005 176.300 0.044 0.000 1.248 71 M CA -0.112 55.235 55.300 0.077 0.000 0.885 71 M CB 0.590 33.158 32.600 -0.054 0.000 1.386 71 M HN 0.118 nan 8.290 nan 0.000 0.509 72 R N 1.274 121.806 120.500 0.054 0.000 2.441 72 R HA 0.563 4.902 4.340 -0.002 0.000 0.284 72 R C 0.911 177.238 176.300 0.044 0.000 1.070 72 R CA 0.218 56.350 56.100 0.053 0.000 1.047 72 R CB 0.745 31.076 30.300 0.050 0.000 1.016 72 R HN 0.451 nan 8.270 nan 0.000 0.477 73 A N 2.818 125.665 122.820 0.045 0.000 2.791 73 A HA -0.190 4.128 4.320 -0.002 0.000 0.292 73 A C 0.147 177.748 177.584 0.028 0.000 1.487 73 A CA 0.409 52.467 52.037 0.034 0.000 0.760 73 A CB -1.949 17.068 19.000 0.028 0.000 1.031 73 A HN 0.667 nan 8.150 nan 0.000 0.503 74 I N -0.287 120.299 120.570 0.026 0.000 2.396 74 I HA 0.150 4.319 4.170 -0.002 0.000 0.289 74 I C -0.793 175.330 176.117 0.009 0.000 1.056 74 I CA -2.057 59.252 61.300 0.015 0.000 1.365 74 I CB 1.139 39.136 38.000 -0.005 0.000 1.407 74 I HN 0.087 nan 8.210 nan 0.000 0.509 75 P HA -0.194 nan 4.420 nan 0.000 0.215 75 P C 1.101 178.401 177.300 0.001 0.000 1.153 75 P CA 1.358 64.461 63.100 0.006 0.000 0.853 75 P CB 0.140 31.842 31.700 0.004 0.000 0.788 76 Q N -1.211 118.584 119.800 -0.009 0.000 2.437 76 Q HA -0.016 4.322 4.340 -0.002 0.000 0.210 76 Q C 1.374 177.366 176.000 -0.014 0.000 0.972 76 Q CA 0.737 56.529 55.803 -0.018 0.000 0.903 76 Q CB -0.308 28.409 28.738 -0.036 0.000 0.967 76 Q HN 0.327 nan 8.270 nan 0.000 0.486 77 L N -0.460 120.761 121.223 -0.004 0.000 2.728 77 L HA 0.126 4.464 4.340 -0.002 0.000 0.238 77 L C 1.819 178.738 176.870 0.082 0.000 1.143 77 L CA -0.075 54.788 54.840 0.038 0.000 0.937 77 L CB 0.142 42.201 42.059 -0.001 0.000 1.225 77 L HN 0.198 nan 8.230 nan 0.000 0.507 78 E N 1.675 121.900 120.200 0.043 0.000 2.047 78 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 78 E C 0.580 177.193 176.600 0.022 0.000 0.987 78 E CA 0.865 57.285 56.400 0.033 0.000 0.799 78 E CB 0.423 30.133 29.700 0.017 0.000 0.752 78 E HN 0.350 nan 8.360 nan 0.000 0.449 79 R N 0.680 121.191 120.500 0.017 0.000 2.443 79 R HA 0.255 4.593 4.340 -0.002 0.000 0.287 79 R C -1.106 175.202 176.300 0.013 0.000 1.425 79 R CA -0.351 55.751 56.100 0.003 0.000 1.300 79 R CB 1.633 31.931 30.300 -0.003 0.000 1.129 79 R HN -0.014 nan 8.270 nan 0.000 0.577 80 V N -1.809 118.118 119.914 0.023 0.000 3.049 80 V HA 0.632 4.751 4.120 -0.002 0.000 0.309 80 V C 0.314 176.424 176.094 0.027 0.000 1.148 80 V CA -0.987 61.341 62.300 0.045 0.000 0.990 80 V CB 1.883 33.767 31.823 0.101 0.000 1.039 80 V HN 0.533 nan 8.190 nan 0.000 0.430 81 T N 0.224 114.804 114.554 0.044 0.000 2.824 81 T HA 0.404 4.753 4.350 -0.002 0.000 0.277 81 T C 0.950 175.715 174.700 0.109 0.000 0.975 81 T CA 0.214 62.343 62.100 0.049 0.000 0.966 81 T CB 0.993 69.905 68.868 0.073 0.000 1.054 81 T HN 0.885 nan 8.240 nan 0.000 0.533 82 M N 1.373 121.063 119.600 0.148 0.000 2.082 82 M HA 0.004 4.483 4.480 -0.002 0.000 0.258 82 M C 2.330 178.789 176.300 0.266 0.000 1.069 82 M CA 2.226 57.661 55.300 0.226 0.000 1.102 82 M CB -1.533 31.294 32.600 0.378 0.000 1.336 82 M HN 0.879 nan 8.290 nan 0.000 0.404 83 A N -1.238 121.699 122.820 0.195 0.000 1.883 83 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 83 A C 2.273 179.921 177.584 0.108 0.000 1.186 83 A CA 2.405 54.527 52.037 0.142 0.000 0.624 83 A CB -1.225 17.816 19.000 0.068 0.000 0.822 83 A HN 0.602 nan 8.150 nan 0.000 0.444 84 S N -1.897 113.862 115.700 0.098 0.000 2.368 84 S HA -0.187 4.282 4.470 -0.002 0.000 0.225 84 S C 1.519 176.163 174.600 0.074 0.000 1.030 84 S CA 1.304 59.540 58.200 0.060 0.000 0.999 84 S CB -0.500 62.731 63.200 0.052 0.000 0.844 84 S HN 0.788 nan 8.310 nan 0.000 0.459 85 W N 1.983 123.251 121.300 -0.052 0.000 2.355 85 W HA -0.114 4.545 4.660 -0.002 0.000 0.309 85 W C 1.912 178.370 176.519 -0.101 0.000 1.206 85 W CA 0.962 58.259 57.345 -0.079 0.000 1.284 85 W CB -0.528 28.885 29.460 -0.079 0.000 1.145 85 W HN 0.221 nan 8.180 nan 0.000 0.502 86 L N 1.266 122.618 121.223 0.214 0.000 2.056 86 L HA -0.150 4.188 4.340 -0.002 0.000 0.207 86 L C 2.386 179.119 176.870 -0.229 0.000 1.078 86 L CA 2.575 57.412 54.840 -0.004 0.000 0.749 86 L CB -1.394 40.783 42.059 0.196 0.000 0.901 86 L HN 0.232 nan 8.230 nan 0.000 0.433 87 E N -1.032 119.091 120.200 -0.128 0.000 2.085 87 E HA -0.209 4.139 4.350 -0.002 0.000 0.194 87 E C 2.069 178.510 176.600 -0.264 0.000 0.994 87 E CA 1.209 57.516 56.400 -0.155 0.000 0.801 87 E CB -0.430 29.232 29.700 -0.063 0.000 0.743 87 E HN 0.597 nan 8.360 nan 0.000 0.453 88 G N 0.181 108.800 108.800 -0.302 0.000 2.408 88 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.217 88 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.217 88 G C 1.625 176.201 174.900 -0.540 0.000 1.150 88 G CA 0.853 45.730 45.100 -0.372 0.000 0.776 88 G HN 0.229 nan 8.290 nan 0.000 0.542 89 V N 0.876 120.360 119.914 -0.716 0.000 2.323 89 V HA -0.054 4.064 4.120 -0.002 0.000 0.244 89 V C 2.893 178.598 176.094 -0.648 0.000 1.041 89 V CA 1.246 63.071 62.300 -0.792 0.000 1.025 89 V CB -0.382 30.791 31.823 -1.083 0.000 0.656 89 V HN 0.326 nan 8.190 nan 0.000 0.451 90 L N 0.587 121.434 121.223 -0.626 0.000 2.046 90 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 90 L C 2.812 179.309 176.870 -0.622 0.000 1.077 90 L CA 2.114 56.496 54.840 -0.763 0.000 0.747 90 L CB -1.165 40.160 42.059 -1.223 0.000 0.896 90 L HN 0.591 nan 8.230 nan 0.000 0.432 91 T N -2.770 111.527 114.554 -0.428 0.000 2.857 91 T HA -0.149 4.200 4.350 -0.002 0.000 0.266 91 T C 2.013 176.517 174.700 -0.327 0.000 1.048 91 T CA 0.657 62.656 62.100 -0.168 0.000 1.139 91 T CB -0.197 68.616 68.868 -0.090 0.000 0.874 91 T HN 0.228 nan 8.240 nan 0.000 0.455 92 R N 1.486 121.628 120.500 -0.596 0.000 2.066 92 R HA -0.040 4.298 4.340 -0.002 0.000 0.232 92 R C 3.187 178.775 176.300 -1.186 0.000 1.131 92 R CA 1.742 57.197 56.100 -1.075 0.000 0.955 92 R CB -0.495 28.987 30.300 -1.364 0.000 0.851 92 R HN 0.670 nan 8.270 nan 0.000 0.432 93 S N 0.779 115.982 115.700 -0.827 0.000 2.368 93 S HA -0.135 4.334 4.470 -0.002 0.000 0.225 93 S C 2.260 176.851 174.600 -0.014 0.000 1.030 93 S CA 1.062 58.911 58.200 -0.585 0.000 0.999 93 S CB -0.344 62.415 63.200 -0.735 0.000 0.844 93 S HN 0.372 nan 8.310 nan 0.000 0.459 94 A N 2.086 124.994 122.820 0.146 0.000 1.902 94 A HA 0.218 4.536 4.320 -0.002 0.000 0.217 94 A C 2.419 180.257 177.584 0.423 0.000 1.181 94 A CA 1.624 53.953 52.037 0.487 0.000 0.623 94 A CB -1.773 17.543 19.000 0.526 0.000 0.818 94 A HN 0.650 nan 8.150 nan 0.000 0.443 95 G N -1.358 107.523 108.800 0.133 0.000 2.421 95 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 95 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 95 G C 1.353 176.392 174.900 0.232 0.000 1.171 95 G CA 0.958 46.121 45.100 0.105 0.000 0.775 95 G HN 0.557 nan 8.290 nan 0.000 0.543 96 W N -0.057 121.276 121.300 0.055 0.000 2.358 96 W HA 0.024 4.683 4.660 -0.002 0.000 0.303 96 W C 2.213 178.885 176.519 0.255 0.000 1.208 96 W CA 0.048 57.412 57.345 0.032 0.000 1.274 96 W CB -1.339 27.957 29.460 -0.273 0.000 1.138 96 W HN 0.408 nan 8.180 nan 0.000 0.515 97 W N 1.226 122.830 121.300 0.507 0.000 2.355 97 W HA -0.192 4.467 4.660 -0.002 0.000 0.309 97 W C 2.664 179.383 176.519 0.333 0.000 1.206 97 W CA 2.360 60.026 57.345 0.534 0.000 1.284 97 W CB -0.706 29.174 29.460 0.701 0.000 1.145 97 W HN -0.212 nan 8.180 nan 0.000 0.502 98 R N 0.070 120.690 120.500 0.199 0.000 2.127 98 R HA -0.162 4.177 4.340 -0.002 0.000 0.238 98 R C 1.011 177.226 176.300 -0.141 0.000 1.134 98 R CA 1.857 57.875 56.100 -0.137 0.000 0.975 98 R CB -0.449 29.918 30.300 0.111 0.000 0.865 98 R HN 0.073 nan 8.270 nan 0.000 0.447 99 D N -1.326 119.084 120.400 0.017 0.000 2.325 99 D HA 0.125 4.763 4.640 -0.002 0.000 0.225 99 D C 0.728 177.031 176.300 0.004 0.000 1.096 99 D CA 0.836 54.849 54.000 0.022 0.000 0.844 99 D CB 0.735 41.590 40.800 0.090 0.000 0.925 99 D HN 0.452 nan 8.370 nan 0.000 0.513 100 G N 1.375 110.148 108.800 -0.045 0.000 2.148 100 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.254 100 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.254 100 G C 0.986 175.936 174.900 0.084 0.000 0.981 100 G CA 0.192 45.274 45.100 -0.030 0.000 0.670 100 G HN 0.386 nan 8.290 nan 0.000 0.528 101 K N -1.163 119.343 120.400 0.176 0.000 2.373 101 K HA 0.442 4.761 4.320 -0.002 0.000 0.202 101 K C 0.103 176.963 176.600 0.434 0.000 1.025 101 K CA -0.214 56.191 56.287 0.197 0.000 1.115 101 K CB 0.520 33.063 32.500 0.072 0.000 0.858 101 K HN 0.250 nan 8.250 nan 0.000 0.525 102 F N 0.656 120.795 119.950 0.315 0.000 2.538 102 F HA 0.312 4.837 4.527 -0.002 0.000 0.390 102 F C 0.325 176.538 175.800 0.688 0.000 1.448 102 F CA -1.037 57.252 58.000 0.482 0.000 1.115 102 F CB 0.442 39.807 39.000 0.608 0.000 1.268 102 F HN -0.103 nan 8.300 nan 0.000 0.515 103 G N 1.026 110.113 108.800 0.478 0.000 2.543 103 G HA2 0.334 4.292 3.960 -0.002 0.000 0.290 103 G HA3 0.334 4.292 3.960 -0.002 0.000 0.290 103 G C -1.720 173.222 174.900 0.069 0.000 1.310 103 G CA -1.167 44.138 45.100 0.342 0.000 1.025 103 G HN 0.026 nan 8.290 nan 0.000 0.502 104 P HA -0.073 nan 4.420 nan 0.000 0.218 104 P C 1.090 178.322 177.300 -0.114 0.000 1.148 104 P CA 1.079 63.948 63.100 -0.386 0.000 0.822 104 P CB 0.238 31.650 31.700 -0.479 0.000 0.784 105 D N -1.146 119.221 120.400 -0.055 0.000 2.144 105 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 105 D C 1.966 178.271 176.300 0.009 0.000 0.978 105 D CA 0.963 54.953 54.000 -0.016 0.000 0.833 105 D CB -0.558 40.242 40.800 -0.001 0.000 0.961 105 D HN 0.031 nan 8.370 nan 0.000 0.470 106 V N 0.881 120.817 119.914 0.037 0.000 2.323 106 V HA -0.180 3.938 4.120 -0.002 0.000 0.244 106 V C 2.355 178.462 176.094 0.022 0.000 1.041 106 V CA 0.823 63.156 62.300 0.055 0.000 1.025 106 V CB -0.206 31.695 31.823 0.131 0.000 0.656 106 V HN 0.067 nan 8.190 nan 0.000 0.451 107 I N 0.036 120.603 120.570 -0.006 0.000 2.361 107 I HA -0.191 3.978 4.170 -0.002 0.000 0.251 107 I C 2.536 178.671 176.117 0.031 0.000 1.133 107 I CA 1.434 62.745 61.300 0.019 0.000 1.413 107 I CB -0.703 37.376 38.000 0.131 0.000 1.073 107 I HN 0.201 nan 8.210 nan 0.000 0.424 108 R N 0.461 120.962 120.500 0.003 0.000 2.091 108 R HA -0.187 4.151 4.340 -0.002 0.000 0.238 108 R C 1.979 178.274 176.300 -0.008 0.000 1.136 108 R CA 1.483 57.572 56.100 -0.017 0.000 0.959 108 R CB -0.001 30.282 30.300 -0.028 0.000 0.856 108 R HN 0.276 nan 8.270 nan 0.000 0.437 109 E N -0.078 120.127 120.200 0.007 0.000 2.158 109 E HA -0.076 4.273 4.350 -0.002 0.000 0.191 109 E C 2.109 178.725 176.600 0.026 0.000 0.982 109 E CA 0.742 57.149 56.400 0.011 0.000 0.823 109 E CB -0.129 29.579 29.700 0.014 0.000 0.766 109 E HN 0.193 nan 8.360 nan 0.000 0.468 110 V N 1.917 121.860 119.914 0.048 0.000 2.295 110 V HA -0.247 3.871 4.120 -0.002 0.000 0.246 110 V C 2.475 178.611 176.094 0.069 0.000 1.049 110 V CA 1.887 64.232 62.300 0.074 0.000 1.024 110 V CB -0.955 30.939 31.823 0.119 0.000 0.648 110 V HN 0.241 nan 8.190 nan 0.000 0.447 111 A N -0.142 122.715 122.820 0.061 0.000 1.908 111 A HA -0.289 4.030 4.320 -0.002 0.000 0.218 111 A C 2.422 180.005 177.584 -0.002 0.000 1.181 111 A CA 2.208 54.270 52.037 0.040 0.000 0.627 111 A CB -0.628 18.375 19.000 0.004 0.000 0.818 111 A HN 0.474 nan 8.150 nan 0.000 0.445 112 R N -0.569 119.921 120.500 -0.017 0.000 2.091 112 R HA -0.132 4.207 4.340 -0.002 0.000 0.238 112 R C 2.336 178.633 176.300 -0.004 0.000 1.136 112 R CA 1.437 57.521 56.100 -0.027 0.000 0.959 112 R CB -0.371 29.913 30.300 -0.025 0.000 0.856 112 R HN 0.485 nan 8.270 nan 0.000 0.437 113 A N 0.018 122.847 122.820 0.014 0.000 1.873 113 A HA -0.088 4.230 4.320 -0.002 0.000 0.215 113 A C 2.230 179.834 177.584 0.033 0.000 1.186 113 A CA 1.465 53.516 52.037 0.023 0.000 0.616 113 A CB -0.478 18.539 19.000 0.029 0.000 0.823 113 A HN 0.214 nan 8.150 nan 0.000 0.442 114 V N 0.141 120.084 119.914 0.049 0.000 2.427 114 V HA -0.215 3.904 4.120 -0.002 0.000 0.248 114 V C 2.506 178.637 176.094 0.061 0.000 1.051 114 V CA 1.771 64.110 62.300 0.066 0.000 1.048 114 V CB -0.747 31.132 31.823 0.093 0.000 0.666 114 V HN 0.539 nan 8.190 nan 0.000 0.456 115 L N -0.826 120.421 121.223 0.041 0.000 2.141 115 L HA -0.127 4.211 4.340 -0.002 0.000 0.209 115 L C 2.380 179.262 176.870 0.021 0.000 1.094 115 L CA 0.920 55.779 54.840 0.030 0.000 0.763 115 L CB -0.475 41.569 42.059 -0.025 0.000 0.908 115 L HN 0.336 nan 8.230 nan 0.000 0.437 116 L N 0.205 121.435 121.223 0.012 0.000 2.072 116 L HA -0.186 4.153 4.340 -0.002 0.000 0.205 116 L C 2.476 179.357 176.870 0.019 0.000 1.079 116 L CA 1.726 56.570 54.840 0.008 0.000 0.752 116 L CB -0.621 41.439 42.059 0.001 0.000 0.906 116 L HN 0.291 nan 8.230 nan 0.000 0.436 117 E N -0.839 119.379 120.200 0.030 0.000 2.097 117 E HA -0.241 4.107 4.350 -0.002 0.000 0.196 117 E C 1.978 178.609 176.600 0.051 0.000 1.000 117 E CA 1.645 58.069 56.400 0.041 0.000 0.804 117 E CB -0.063 29.667 29.700 0.050 0.000 0.740 117 E HN 0.608 nan 8.360 nan 0.000 0.454 118 S N 0.898 116.633 115.700 0.058 0.000 2.353 118 S HA -0.164 4.305 4.470 -0.002 0.000 0.222 118 S C 2.023 176.655 174.600 0.055 0.000 1.035 118 S CA 1.279 59.522 58.200 0.071 0.000 1.025 118 S CB -0.355 62.895 63.200 0.084 0.000 0.902 118 S HN 0.283 nan 8.310 nan 0.000 0.440 119 L N 1.054 122.296 121.223 0.032 0.000 2.013 119 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 119 L C 2.202 179.061 176.870 -0.017 0.000 1.073 119 L CA 1.190 56.032 54.840 0.004 0.000 0.753 119 L CB -0.611 41.444 42.059 -0.007 0.000 0.890 119 L HN 0.297 nan 8.230 nan 0.000 0.432 120 L N -0.633 120.587 121.223 -0.004 0.000 2.362 120 L HA -0.088 4.251 4.340 -0.002 0.000 0.219 120 L C 2.116 178.991 176.870 0.009 0.000 1.134 120 L CA 0.849 55.681 54.840 -0.015 0.000 0.807 120 L CB -0.692 41.368 42.059 0.003 0.000 0.927 120 L HN 0.303 nan 8.230 nan 0.000 0.447 121 G N -1.413 107.422 108.800 0.059 0.000 3.233 121 G HA2 0.310 4.269 3.960 -0.002 0.000 0.227 121 G HA3 0.310 4.269 3.960 -0.002 0.000 0.227 121 G C 1.182 176.210 174.900 0.214 0.000 1.175 121 G CA 0.385 45.575 45.100 0.151 0.000 0.781 121 G HN 0.432 nan 8.290 nan 0.000 0.542 122 G N 0.026 108.845 108.800 0.031 0.000 2.143 122 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.249 122 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.249 122 G C 0.259 175.212 174.900 0.089 0.000 0.981 122 G CA 0.115 45.188 45.100 -0.044 0.000 0.665 122 G HN 0.485 nan 8.290 nan 0.000 0.528 123 I N 1.768 122.392 120.570 0.090 0.000 2.325 123 I HA 0.344 4.512 4.170 -0.002 0.000 0.291 123 I C 1.689 177.843 176.117 0.062 0.000 1.019 123 I CA 0.315 61.670 61.300 0.093 0.000 1.302 123 I CB 1.452 39.512 38.000 0.101 0.000 1.401 123 I HN 0.225 nan 8.210 nan 0.000 0.485 124 T N -0.384 114.206 114.554 0.060 0.000 2.990 124 T HA 0.155 4.504 4.350 -0.002 0.000 0.250 124 T C 0.648 175.388 174.700 0.067 0.000 1.041 124 T CA 0.084 62.214 62.100 0.050 0.000 1.010 124 T CB 0.210 69.101 68.868 0.039 0.000 1.003 124 T HN 0.494 nan 8.240 nan 0.000 0.499 125 T N 1.678 116.270 114.554 0.064 0.000 2.921 125 T HA 0.663 5.011 4.350 -0.002 0.000 0.297 125 T C -1.278 173.460 174.700 0.064 0.000 1.013 125 T CA -0.537 61.603 62.100 0.066 0.000 0.990 125 T CB 2.420 71.284 68.868 -0.007 0.000 1.023 125 T HN 0.037 nan 8.240 nan 0.000 0.447 126 V N 2.084 122.077 119.914 0.132 0.000 2.588 126 V HA 0.808 4.926 4.120 -0.002 0.000 0.304 126 V C -0.260 175.845 176.094 0.019 0.000 1.042 126 V CA -0.981 61.396 62.300 0.129 0.000 0.877 126 V CB 1.838 33.820 31.823 0.265 0.000 0.996 126 V HN 1.086 nan 8.190 nan 0.000 0.425 127 A N 2.891 125.683 122.820 -0.047 0.000 2.256 127 A HA 0.667 4.986 4.320 -0.002 0.000 0.317 127 A C -0.626 176.933 177.584 -0.042 0.000 1.318 127 A CA -0.346 51.637 52.037 -0.090 0.000 0.894 127 A CB 0.526 19.524 19.000 -0.004 0.000 1.165 127 A HN 0.817 nan 8.150 nan 0.000 0.525 128 D N 1.375 121.704 120.400 -0.118 0.000 2.177 128 D HA 0.351 4.990 4.640 -0.002 0.000 0.247 128 D C -0.242 176.103 176.300 0.074 0.000 1.063 128 D CA 0.086 54.111 54.000 0.042 0.000 0.867 128 D CB 1.010 41.959 40.800 0.248 0.000 1.168 128 D HN 0.515 nan 8.370 nan 0.000 0.445 129 Q N 2.946 122.813 119.800 0.112 0.000 2.413 129 Q HA 0.216 4.554 4.340 -0.002 0.000 0.258 129 Q C -1.560 174.657 176.000 0.362 0.000 1.037 129 Q CA -0.798 55.142 55.803 0.229 0.000 0.764 129 Q CB 0.616 29.477 28.738 0.204 0.000 1.217 129 Q HN 0.598 nan 8.270 nan 0.000 0.490 130 H N 4.114 123.298 119.070 0.190 0.000 2.541 130 H HA 0.275 4.829 4.556 -0.002 0.000 0.316 130 H C 0.074 175.420 175.328 0.031 0.000 1.043 130 H CA -0.653 55.423 56.048 0.047 0.000 1.232 130 H CB 0.888 30.643 29.762 -0.011 0.000 1.406 130 H HN 0.670 nan 8.280 nan 0.000 0.469 131 L N 2.843 123.823 121.223 -0.404 0.000 2.766 131 L HA 0.385 4.724 4.340 -0.002 0.000 0.242 131 L C -0.269 176.403 176.870 -0.331 0.000 1.136 131 L CA -0.146 54.617 54.840 -0.128 0.000 0.933 131 L CB -0.400 41.633 42.059 -0.044 0.000 1.241 131 L HN 0.365 nan 8.230 nan 0.000 0.522 132 F N 2.106 121.294 119.950 -1.271 0.000 2.439 132 F HA 0.535 5.061 4.527 -0.002 0.000 0.356 132 F C -0.851 174.252 175.800 -1.160 0.000 1.161 132 F CA -1.148 56.192 58.000 -1.101 0.000 1.151 132 F CB 0.094 38.275 39.000 -1.365 0.000 1.222 132 F HN -0.058 nan 8.300 nan 0.000 0.558 133 F N 7.179 126.680 119.950 -0.748 0.000 2.646 133 F HA 0.319 4.844 4.527 -0.002 0.000 0.336 133 F C -2.242 173.158 175.800 -0.666 0.000 1.437 133 F CA -2.026 55.630 58.000 -0.572 0.000 1.142 133 F CB 0.105 38.962 39.000 -0.238 0.000 1.530 133 F HN 0.281 nan 8.300 nan 0.000 0.591 134 P HA 0.476 nan 4.420 nan 0.000 0.274 134 P C 0.525 177.366 177.300 -0.765 0.000 1.231 134 P CA 0.454 62.896 63.100 -1.097 0.000 0.790 134 P CB 1.648 32.070 31.700 -2.130 0.000 0.951 135 G N 0.990 109.521 108.800 -0.449 0.000 2.548 135 G HA2 0.018 3.977 3.960 -0.002 0.000 0.208 135 G HA3 0.018 3.977 3.960 -0.002 0.000 0.208 135 G C 0.586 175.485 174.900 -0.002 0.000 1.308 135 G CA -0.004 45.075 45.100 -0.036 0.000 0.924 135 G HN 0.570 nan 8.290 nan 0.000 0.540 136 A N -0.945 121.914 122.820 0.065 0.000 2.178 136 A HA 0.610 4.928 4.320 -0.002 0.000 0.211 136 A C 1.431 179.019 177.584 0.008 0.000 1.157 136 A CA 2.437 54.495 52.037 0.035 0.000 0.780 136 A CB -0.342 18.691 19.000 0.055 0.000 0.828 136 A HN 2.434 nan 8.150 nan 0.000 0.476 137 T N -4.246 110.313 114.554 0.008 0.000 2.896 137 T HA 0.662 5.011 4.350 -0.002 0.000 0.297 137 T C -0.440 174.228 174.700 -0.053 0.000 1.108 137 T CA -0.145 61.939 62.100 -0.027 0.000 1.004 137 T CB 1.572 70.438 68.868 -0.003 0.000 1.159 137 T HN 0.748 nan 8.240 nan 0.000 0.499 138 A N 2.087 124.807 122.820 -0.166 0.000 2.410 138 A HA 0.468 4.787 4.320 -0.002 0.000 0.292 138 A C 0.304 177.825 177.584 -0.106 0.000 1.232 138 A CA -0.339 51.533 52.037 -0.276 0.000 0.893 138 A CB -0.615 17.830 19.000 -0.926 0.000 1.131 138 A HN 0.850 nan 8.150 nan 0.000 0.530 139 D N 1.589 122.091 120.400 0.169 0.000 2.414 139 D HA 0.185 4.823 4.640 -0.002 0.000 0.251 139 D C 1.219 177.593 176.300 0.122 0.000 1.252 139 D CA 0.421 54.478 54.000 0.096 0.000 0.999 139 D CB 0.933 41.752 40.800 0.031 0.000 1.093 139 D HN 0.456 nan 8.370 nan 0.000 0.515 140 S N 0.543 116.216 115.700 -0.046 0.000 2.871 140 S HA 0.015 4.484 4.470 -0.002 0.000 0.254 140 S C 1.199 175.763 174.600 -0.060 0.000 1.088 140 S CA -0.280 57.935 58.200 0.025 0.000 1.166 140 S CB -0.784 62.419 63.200 0.005 0.000 0.826 140 S HN 0.403 nan 8.310 nan 0.000 0.471 141 Y N 1.463 121.775 120.300 0.021 0.000 2.128 141 Y HA -0.102 4.447 4.550 -0.002 0.000 0.284 141 Y C 2.332 178.093 175.900 -0.230 0.000 1.154 141 Y CA 1.075 59.035 58.100 -0.234 0.000 1.149 141 Y CB -0.431 37.639 38.460 -0.650 0.000 0.976 141 Y HN 0.356 nan 8.280 nan 0.000 0.505 142 I N 0.268 120.910 120.570 0.121 0.000 2.226 142 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 142 I C 1.575 177.675 176.117 -0.028 0.000 1.100 142 I CA 1.599 62.949 61.300 0.083 0.000 1.374 142 I CB -1.383 36.726 38.000 0.181 0.000 1.057 142 I HN 0.252 nan 8.210 nan 0.000 0.413 143 D N 1.684 122.082 120.400 -0.004 0.000 2.123 143 D HA -0.163 4.476 4.640 -0.002 0.000 0.196 143 D C 2.302 178.560 176.300 -0.070 0.000 0.992 143 D CA 1.634 55.598 54.000 -0.060 0.000 0.833 143 D CB -0.183 40.696 40.800 0.132 0.000 0.954 143 D HN 0.353 nan 8.370 nan 0.000 0.455 144 A N 0.559 123.348 122.820 -0.052 0.000 1.877 144 A HA -0.202 4.116 4.320 -0.002 0.000 0.216 144 A C 2.372 179.903 177.584 -0.090 0.000 1.186 144 A CA 2.618 54.617 52.037 -0.065 0.000 0.620 144 A CB -1.376 17.581 19.000 -0.072 0.000 0.822 144 A HN 0.407 nan 8.150 nan 0.000 0.443 145 T N -1.464 113.041 114.554 -0.081 0.000 2.788 145 T HA -0.081 4.267 4.350 -0.002 0.000 0.268 145 T C 1.823 176.311 174.700 -0.352 0.000 1.044 145 T CA 1.493 63.512 62.100 -0.135 0.000 1.139 145 T CB -0.606 68.306 68.868 0.075 0.000 0.867 145 T HN 0.346 nan 8.240 nan 0.000 0.454 146 I N 1.297 121.741 120.570 -0.211 0.000 2.286 146 I HA -0.121 4.047 4.170 -0.002 0.000 0.248 146 I C 2.858 178.852 176.117 -0.206 0.000 1.115 146 I CA 1.561 62.719 61.300 -0.237 0.000 1.392 146 I CB -0.397 37.421 38.000 -0.304 0.000 1.065 146 I HN 0.336 nan 8.210 nan 0.000 0.418 147 E N 0.986 121.101 120.200 -0.142 0.000 2.077 147 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 147 E C 2.359 178.892 176.600 -0.112 0.000 0.989 147 E CA 1.392 57.744 56.400 -0.081 0.000 0.800 147 E CB -0.212 29.464 29.700 -0.041 0.000 0.746 147 E HN 0.513 nan 8.360 nan 0.000 0.452 148 A N 1.400 124.127 122.820 -0.155 0.000 1.877 148 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 148 A C 2.398 179.862 177.584 -0.200 0.000 1.186 148 A CA 1.803 53.748 52.037 -0.155 0.000 0.620 148 A CB -0.791 18.116 19.000 -0.155 0.000 0.822 148 A HN 0.304 nan 8.150 nan 0.000 0.443 149 A N -1.106 121.501 122.820 -0.355 0.000 1.902 149 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 149 A C 2.313 179.804 177.584 -0.154 0.000 1.181 149 A CA 2.343 54.169 52.037 -0.353 0.000 0.623 149 A CB -1.290 17.280 19.000 -0.717 0.000 0.818 149 A HN 0.435 nan 8.150 nan 0.000 0.443 150 T N 0.162 114.645 114.554 -0.119 0.000 2.777 150 T HA -0.114 4.235 4.350 -0.002 0.000 0.266 150 T C 1.492 176.172 174.700 -0.034 0.000 1.040 150 T CA 1.504 63.580 62.100 -0.041 0.000 1.141 150 T CB -0.418 68.445 68.868 -0.009 0.000 0.868 150 T HN 0.452 nan 8.240 nan 0.000 0.444 151 D N 1.132 121.503 120.400 -0.048 0.000 2.149 151 D HA -0.015 4.624 4.640 -0.002 0.000 0.198 151 D C 1.985 178.266 176.300 -0.033 0.000 0.990 151 D CA 0.816 54.795 54.000 -0.035 0.000 0.839 151 D CB -0.277 40.500 40.800 -0.038 0.000 0.948 151 D HN 0.331 nan 8.370 nan 0.000 0.460 152 L N -0.872 120.323 121.223 -0.046 0.000 2.341 152 L HA 0.122 4.461 4.340 -0.002 0.000 0.214 152 L C 1.619 178.475 176.870 -0.023 0.000 1.115 152 L CA 0.662 55.481 54.840 -0.036 0.000 0.820 152 L CB -0.129 41.904 42.059 -0.044 0.000 0.944 152 L HN 0.164 nan 8.230 nan 0.000 0.452 153 G N 0.903 109.691 108.800 -0.019 0.000 2.136 153 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.242 153 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.242 153 G C 0.159 175.066 174.900 0.011 0.000 0.989 153 G CA 0.111 45.209 45.100 -0.003 0.000 0.682 153 G HN 0.301 nan 8.290 nan 0.000 0.522 154 I N 0.473 121.050 120.570 0.011 0.000 2.472 154 I HA 0.495 4.663 4.170 -0.002 0.000 0.290 154 I C 1.043 177.221 176.117 0.101 0.000 1.016 154 I CA -1.125 60.203 61.300 0.047 0.000 1.348 154 I CB 0.586 38.611 38.000 0.043 0.000 1.417 154 I HN 0.207 nan 8.210 nan 0.000 0.521 155 R N 5.857 126.435 120.500 0.130 0.000 2.543 155 R HA 0.266 4.604 4.340 -0.002 0.000 0.277 155 R C -1.664 174.822 176.300 0.310 0.000 1.074 155 R CA -0.011 56.199 56.100 0.183 0.000 1.076 155 R CB 0.639 31.024 30.300 0.142 0.000 0.993 155 R HN 0.533 nan 8.270 nan 0.000 0.459 156 F N 3.423 123.452 119.950 0.132 0.000 2.588 156 F HA 0.340 4.865 4.527 -0.002 0.000 0.314 156 F C -1.228 174.707 175.800 0.225 0.000 1.134 156 F CA -0.563 57.523 58.000 0.144 0.000 0.961 156 F CB 1.534 40.572 39.000 0.064 0.000 1.239 156 F HN 0.551 nan 8.300 nan 0.000 0.448 157 H N 3.977 122.720 119.070 -0.545 0.000 2.489 157 H HA 0.749 5.304 4.556 -0.002 0.000 0.343 157 H C -0.946 173.940 175.328 -0.736 0.000 1.086 157 H CA -1.092 54.694 56.048 -0.436 0.000 1.198 157 H CB 1.974 31.608 29.762 -0.213 0.000 1.490 157 H HN 0.717 nan 8.280 nan 0.000 0.504 158 A N 2.682 125.277 122.820 -0.374 0.000 2.277 158 A HA 0.561 4.880 4.320 -0.002 0.000 0.318 158 A C -0.037 177.529 177.584 -0.031 0.000 1.339 158 A CA -0.633 51.256 52.037 -0.246 0.000 0.875 158 A CB 0.295 19.235 19.000 -0.100 0.000 1.158 158 A HN 0.755 nan 8.150 nan 0.000 0.514 159 A N 3.678 126.525 122.820 0.045 0.000 2.506 159 A HA 0.457 4.775 4.320 -0.002 0.000 0.320 159 A C 0.627 178.278 177.584 0.111 0.000 1.424 159 A CA -0.586 51.500 52.037 0.082 0.000 1.044 159 A CB -0.134 18.945 19.000 0.132 0.000 1.140 159 A HN 0.734 nan 8.150 nan 0.000 0.538 160 R N 2.068 122.614 120.500 0.076 0.000 2.458 160 R HA 0.150 4.489 4.340 -0.002 0.000 0.303 160 R C -0.005 176.422 176.300 0.212 0.000 1.013 160 R CA 0.626 56.834 56.100 0.179 0.000 1.026 160 R CB 0.352 30.702 30.300 0.085 0.000 0.948 160 R HN 0.665 nan 8.270 nan 0.000 0.417 161 S N 1.654 117.548 115.700 0.324 0.000 2.766 161 S HA 0.758 5.227 4.470 -0.002 0.000 0.307 161 S C -1.116 173.658 174.600 0.290 0.000 1.121 161 S CA -0.125 58.235 58.200 0.266 0.000 0.980 161 S CB 1.099 64.431 63.200 0.219 0.000 1.159 161 S HN 0.770 nan 8.310 nan 0.000 0.546 162 S N 0.613 116.430 115.700 0.195 0.000 2.595 162 S HA 0.565 5.034 4.470 -0.002 0.000 0.270 162 S C -1.563 173.102 174.600 0.109 0.000 1.145 162 S CA -0.959 57.336 58.200 0.157 0.000 0.825 162 S CB 0.840 64.104 63.200 0.107 0.000 1.107 162 S HN 0.627 nan 8.310 nan 0.000 0.461 163 M N 2.260 121.923 119.600 0.105 0.000 2.134 163 M HA 0.372 4.851 4.480 -0.002 0.000 0.310 163 M C 0.191 176.550 176.300 0.099 0.000 0.966 163 M CA -0.490 54.887 55.300 0.128 0.000 0.922 163 M CB 2.088 34.781 32.600 0.155 0.000 1.537 163 M HN 1.029 nan 8.290 nan 0.000 0.424 164 T N -0.228 114.372 114.554 0.077 0.000 3.044 164 T HA 0.301 4.650 4.350 -0.002 0.000 0.260 164 T C -0.049 174.680 174.700 0.050 0.000 1.019 164 T CA -0.188 61.934 62.100 0.036 0.000 0.921 164 T CB 0.338 69.192 68.868 -0.024 0.000 1.053 164 T HN 0.434 nan 8.240 nan 0.000 0.533 165 L N 2.509 123.782 121.223 0.083 0.000 2.298 165 L HA 0.806 5.145 4.340 -0.002 0.000 0.284 165 L C 0.224 177.144 176.870 0.084 0.000 1.013 165 L CA -0.565 54.316 54.840 0.069 0.000 0.824 165 L CB 1.012 43.106 42.059 0.058 0.000 1.221 165 L HN 0.240 nan 8.230 nan 0.000 0.418 166 G N 3.104 111.944 108.800 0.067 0.000 2.504 166 G HA2 0.274 4.232 3.960 -0.002 0.000 0.288 166 G HA3 0.274 4.232 3.960 -0.002 0.000 0.288 166 G C 0.466 175.416 174.900 0.083 0.000 1.182 166 G CA -0.164 44.986 45.100 0.083 0.000 0.894 166 G HN 0.852 nan 8.290 nan 0.000 0.521 167 K N -0.679 119.791 120.400 0.116 0.000 2.160 167 K HA -0.186 4.133 4.320 -0.002 0.000 0.206 167 K C 2.314 178.968 176.600 0.090 0.000 1.047 167 K CA 2.046 58.420 56.287 0.145 0.000 0.930 167 K CB -0.370 32.219 32.500 0.149 0.000 0.720 167 K HN 0.406 nan 8.250 nan 0.000 0.450 168 S N 1.594 117.327 115.700 0.054 0.000 2.419 168 S HA -0.179 4.290 4.470 -0.002 0.000 0.235 168 S C 1.122 175.729 174.600 0.012 0.000 1.019 168 S CA 1.248 59.466 58.200 0.030 0.000 0.982 168 S CB -0.413 62.797 63.200 0.017 0.000 0.789 168 S HN 0.676 nan 8.310 nan 0.000 0.490 169 E N 0.140 120.342 120.200 0.004 0.000 2.736 169 E HA 0.523 4.872 4.350 -0.002 0.000 0.208 169 E C 0.794 177.348 176.600 -0.076 0.000 0.996 169 E CA -0.111 56.270 56.400 -0.031 0.000 1.104 169 E CB 0.227 29.915 29.700 -0.020 0.000 1.111 169 E HN 0.516 nan 8.360 nan 0.000 0.455 170 G N 0.574 109.335 108.800 -0.064 0.000 2.179 170 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.220 170 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.220 170 G C 0.511 175.289 174.900 -0.204 0.000 0.990 170 G CA -0.464 44.543 45.100 -0.155 0.000 0.646 170 G HN 0.569 nan 8.290 nan 0.000 0.517 171 G N -0.401 108.355 108.800 -0.073 0.000 2.444 171 G HA2 0.514 4.473 3.960 -0.002 0.000 0.268 171 G HA3 0.514 4.473 3.960 -0.002 0.000 0.268 171 G C -0.304 174.692 174.900 0.160 0.000 1.203 171 G CA -0.635 44.429 45.100 -0.061 0.000 0.835 171 G HN 0.168 nan 8.290 nan 0.000 0.543 172 F N 1.525 121.436 119.950 -0.066 0.000 2.509 172 F HA 0.380 4.906 4.527 -0.002 0.000 0.344 172 F C 0.507 176.390 175.800 0.138 0.000 1.197 172 F CA -1.586 56.426 58.000 0.020 0.000 1.294 172 F CB -0.305 38.691 39.000 -0.006 0.000 1.643 172 F HN 0.488 nan 8.300 nan 0.000 0.596 173 C N -0.699 118.803 119.300 0.338 0.000 3.050 173 C HA 0.322 4.780 4.460 -0.002 0.000 0.416 173 C C -0.407 174.753 174.990 0.283 0.000 0.994 173 C CA -1.565 57.650 59.018 0.328 0.000 1.222 173 C CB 0.343 28.298 27.740 0.358 0.000 1.612 173 C HN 0.501 nan 8.230 nan 0.000 0.550 174 D N 1.636 122.231 120.400 0.324 0.000 2.449 174 D HA 0.124 4.763 4.640 -0.002 0.000 0.236 174 D C 0.982 177.312 176.300 0.049 0.000 1.149 174 D CA 0.562 54.640 54.000 0.129 0.000 0.878 174 D CB 0.899 41.691 40.800 -0.014 0.000 1.198 174 D HN 0.626 nan 8.370 nan 0.000 0.446 175 D N 1.761 122.152 120.400 -0.015 0.000 2.158 175 D HA -0.172 4.466 4.640 -0.002 0.000 0.197 175 D C 1.823 178.069 176.300 -0.091 0.000 0.995 175 D CA 0.643 54.628 54.000 -0.026 0.000 0.846 175 D CB -0.175 40.607 40.800 -0.029 0.000 0.941 175 D HN 0.414 nan 8.370 nan 0.000 0.456 176 L N -0.511 120.565 121.223 -0.244 0.000 2.127 176 L HA -0.173 4.166 4.340 -0.002 0.000 0.211 176 L C 1.008 177.702 176.870 -0.293 0.000 1.089 176 L CA 1.163 55.796 54.840 -0.345 0.000 0.757 176 L CB -0.097 41.619 42.059 -0.572 0.000 0.899 176 L HN -0.038 nan 8.230 nan 0.000 0.434 177 F N -1.084 118.877 119.950 0.018 0.000 2.692 177 F HA 0.205 4.731 4.527 -0.002 0.000 0.303 177 F C 0.418 176.225 175.800 0.013 0.000 1.114 177 F CA -0.349 57.659 58.000 0.014 0.000 1.361 177 F CB -0.539 38.480 39.000 0.032 0.000 1.063 177 F HN -0.255 nan 8.300 nan 0.000 0.550 178 V N 0.242 120.227 119.914 0.117 0.000 2.483 178 V HA 0.287 4.406 4.120 -0.002 0.000 0.295 178 V C -0.028 176.086 176.094 0.035 0.000 1.035 178 V CA -1.062 61.289 62.300 0.084 0.000 0.896 178 V CB 2.134 33.996 31.823 0.066 0.000 0.986 178 V HN 0.061 nan 8.190 nan 0.000 0.447 179 E N 4.611 124.828 120.200 0.028 0.000 2.202 179 E HA 0.452 4.801 4.350 -0.002 0.000 0.272 179 E C -2.557 174.032 176.600 -0.019 0.000 0.951 179 E CA -2.038 54.358 56.400 -0.006 0.000 0.813 179 E CB 2.087 31.780 29.700 -0.012 0.000 1.151 179 E HN 0.457 nan 8.360 nan 0.000 0.398 180 P HA -0.036 nan 4.420 nan 0.000 0.271 180 P C 0.627 177.893 177.300 -0.057 0.000 1.216 180 P CA -0.067 63.010 63.100 -0.037 0.000 0.776 180 P CB 0.804 32.483 31.700 -0.035 0.000 0.881 181 V N 2.143 122.017 119.914 -0.067 0.000 2.287 181 V HA -0.251 3.867 4.120 -0.002 0.000 0.248 181 V C 1.628 177.661 176.094 -0.101 0.000 1.053 181 V CA 2.087 64.323 62.300 -0.107 0.000 1.027 181 V CB -0.877 30.877 31.823 -0.116 0.000 0.646 181 V HN 0.561 nan 8.190 nan 0.000 0.447 182 D N -0.626 119.734 120.400 -0.068 0.000 2.178 182 D HA -0.152 4.486 4.640 -0.002 0.000 0.201 182 D C 2.290 178.566 176.300 -0.040 0.000 0.980 182 D CA 1.075 55.045 54.000 -0.049 0.000 0.842 182 D CB -0.255 40.525 40.800 -0.032 0.000 0.948 182 D HN 0.351 nan 8.370 nan 0.000 0.472 183 R N 0.523 120.994 120.500 -0.048 0.000 2.081 183 R HA -0.099 4.240 4.340 -0.002 0.000 0.235 183 R C 2.081 178.350 176.300 -0.052 0.000 1.131 183 R CA 0.917 56.984 56.100 -0.054 0.000 0.960 183 R CB -0.161 30.094 30.300 -0.075 0.000 0.856 183 R HN 0.002 nan 8.270 nan 0.000 0.436 184 V N 0.308 120.184 119.914 -0.063 0.000 2.287 184 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 184 V C 2.398 178.527 176.094 0.059 0.000 1.053 184 V CA 1.764 64.048 62.300 -0.026 0.000 1.027 184 V CB -0.368 31.424 31.823 -0.050 0.000 0.646 184 V HN 0.193 nan 8.190 nan 0.000 0.447 185 V N -0.330 119.588 119.914 0.006 0.000 2.295 185 V HA -0.353 3.766 4.120 -0.002 0.000 0.246 185 V C 2.457 178.586 176.094 0.057 0.000 1.049 185 V CA 2.463 64.797 62.300 0.057 0.000 1.024 185 V CB -0.707 31.102 31.823 -0.023 0.000 0.648 185 V HN 0.623 nan 8.190 nan 0.000 0.447 186 Q N -0.661 119.158 119.800 0.032 0.000 2.096 186 Q HA -0.293 4.045 4.340 -0.002 0.000 0.204 186 Q C 2.366 178.400 176.000 0.057 0.000 0.982 186 Q CA 2.222 58.044 55.803 0.032 0.000 0.850 186 Q CB -0.314 28.438 28.738 0.023 0.000 0.901 186 Q HN 0.824 nan 8.270 nan 0.000 0.422 187 H N -0.896 118.141 119.070 -0.054 0.000 2.353 187 H HA -0.132 4.423 4.556 -0.002 0.000 0.300 187 H C 2.020 177.320 175.328 -0.046 0.000 1.090 187 H CA 1.426 57.433 56.048 -0.070 0.000 1.327 187 H CB 0.106 29.774 29.762 -0.157 0.000 1.383 187 H HN 0.442 nan 8.280 nan 0.000 0.508 188 C N 0.736 119.985 119.300 -0.085 0.000 2.425 188 C HA -0.119 4.339 4.460 -0.002 0.000 0.277 188 C C 2.993 177.863 174.990 -0.200 0.000 1.280 188 C CA 0.540 59.463 59.018 -0.158 0.000 1.744 188 C CB -1.045 26.680 27.740 -0.025 0.000 1.989 188 C HN 0.505 nan 8.230 nan 0.000 0.491 189 L N 0.935 122.061 121.223 -0.162 0.000 2.012 189 L HA -0.095 4.243 4.340 -0.002 0.000 0.210 189 L C 2.826 179.575 176.870 -0.201 0.000 1.073 189 L CA 1.888 56.577 54.840 -0.252 0.000 0.748 189 L CB -1.149 40.824 42.059 -0.144 0.000 0.891 189 L HN 0.501 nan 8.230 nan 0.000 0.431 190 G N -0.159 108.570 108.800 -0.118 0.000 2.422 190 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.218 190 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.218 190 G C 1.636 176.482 174.900 -0.089 0.000 1.146 190 G CA 0.490 45.543 45.100 -0.078 0.000 0.769 190 G HN 0.219 nan 8.290 nan 0.000 0.547 191 L N 0.034 121.182 121.223 -0.125 0.000 2.046 191 L HA -0.017 4.321 4.340 -0.002 0.000 0.208 191 L C 2.852 179.738 176.870 0.027 0.000 1.077 191 L CA 0.692 55.529 54.840 -0.005 0.000 0.747 191 L CB -0.359 41.634 42.059 -0.109 0.000 0.896 191 L HN 0.197 nan 8.230 nan 0.000 0.432 192 I N 0.041 120.548 120.570 -0.106 0.000 2.179 192 I HA -0.332 3.836 4.170 -0.002 0.000 0.242 192 I C 2.242 178.347 176.117 -0.020 0.000 1.088 192 I CA 1.745 62.981 61.300 -0.107 0.000 1.357 192 I CB -0.365 37.434 38.000 -0.335 0.000 1.051 192 I HN 0.300 nan 8.210 nan 0.000 0.409 193 D N 0.350 120.709 120.400 -0.069 0.000 2.123 193 D HA -0.285 4.354 4.640 -0.002 0.000 0.196 193 D C 2.203 178.469 176.300 -0.056 0.000 0.992 193 D CA 1.498 55.484 54.000 -0.024 0.000 0.833 193 D CB 0.022 40.804 40.800 -0.030 0.000 0.954 193 D HN 0.312 nan 8.370 nan 0.000 0.455 194 Q N -1.982 117.734 119.800 -0.139 0.000 2.137 194 Q HA -0.111 4.228 4.340 -0.002 0.000 0.198 194 Q C 0.983 176.753 176.000 -0.383 0.000 0.960 194 Q CA 1.036 56.629 55.803 -0.350 0.000 0.847 194 Q CB 0.097 28.454 28.738 -0.635 0.000 0.915 194 Q HN 0.420 nan 8.270 nan 0.000 0.448 195 Y N -2.008 118.311 120.300 0.031 0.000 2.467 195 Y HA 0.191 4.739 4.550 -0.002 0.000 0.259 195 Y C 0.085 176.017 175.900 0.053 0.000 1.084 195 Y CA -0.398 57.727 58.100 0.042 0.000 1.275 195 Y CB 0.230 38.718 38.460 0.047 0.000 1.208 195 Y HN 0.116 nan 8.280 nan 0.000 0.511 196 H N 2.262 121.391 119.070 0.098 0.000 2.929 196 H HA 0.181 4.736 4.556 -0.002 0.000 0.317 196 H C -0.528 174.812 175.328 0.020 0.000 1.031 196 H CA 0.292 56.359 56.048 0.032 0.000 1.466 196 H CB 0.431 30.193 29.762 0.000 0.000 1.482 196 H HN 0.194 nan 8.280 nan 0.000 0.561 197 E N 7.627 127.558 120.200 -0.449 0.000 2.267 197 E HA 0.124 4.473 4.350 -0.002 0.000 0.241 197 E C -1.924 174.403 176.600 -0.455 0.000 0.950 197 E CA -1.777 54.438 56.400 -0.307 0.000 0.776 197 E CB 1.279 30.895 29.700 -0.141 0.000 1.207 197 E HN 0.657 nan 8.360 nan 0.000 0.436 198 P HA -0.130 nan 4.420 nan 0.000 0.236 198 P C 0.124 177.344 177.300 -0.134 0.000 1.177 198 P CA 0.608 63.563 63.100 -0.241 0.000 0.773 198 P CB 0.222 31.915 31.700 -0.012 0.000 0.878 199 E N 1.423 121.553 120.200 -0.116 0.000 2.392 199 E HA 0.168 4.517 4.350 -0.002 0.000 0.259 199 E C -2.419 174.091 176.600 -0.150 0.000 1.108 199 E CA -2.378 53.962 56.400 -0.099 0.000 0.916 199 E CB -0.827 28.840 29.700 -0.055 0.000 0.989 199 E HN 0.049 nan 8.360 nan 0.000 0.432 200 P HA -0.081 nan 4.420 nan 0.000 0.265 200 P C -0.527 176.509 177.300 -0.440 0.000 1.187 200 P CA 0.207 62.996 63.100 -0.518 0.000 0.766 200 P CB -0.104 31.124 31.700 -0.786 0.000 0.820 201 F N -1.054 118.891 119.950 -0.008 0.000 2.794 201 F HA -0.177 4.349 4.527 -0.002 0.000 0.335 201 F C 1.280 177.076 175.800 -0.008 0.000 0.653 201 F CA 0.828 58.827 58.000 -0.002 0.000 1.266 201 F CB -2.656 36.343 39.000 -0.001 0.000 1.666 201 F HN 0.420 nan 8.300 nan 0.000 0.314 202 G N 0.638 109.477 108.800 0.064 0.000 2.414 202 G HA2 0.283 4.242 3.960 -0.002 0.000 0.236 202 G HA3 0.283 4.242 3.960 -0.002 0.000 0.236 202 G C 0.906 175.830 174.900 0.040 0.000 1.293 202 G CA -0.154 44.952 45.100 0.011 0.000 0.869 202 G HN 0.167 nan 8.290 nan 0.000 0.556 203 M N 1.093 120.719 119.600 0.044 0.000 2.492 203 M HA 0.158 4.636 4.480 -0.002 0.000 0.255 203 M C 0.175 176.531 176.300 0.094 0.000 1.139 203 M CA 0.605 55.953 55.300 0.080 0.000 1.096 203 M CB 0.502 33.150 32.600 0.079 0.000 1.360 203 M HN 0.192 nan 8.290 nan 0.000 0.480 204 V N 1.063 120.996 119.914 0.033 0.000 2.623 204 V HA 0.478 4.597 4.120 -0.002 0.000 0.304 204 V C -0.409 175.614 176.094 -0.119 0.000 1.054 204 V CA -0.859 61.464 62.300 0.039 0.000 0.882 204 V CB 2.781 34.674 31.823 0.116 0.000 1.002 204 V HN 0.223 nan 8.190 nan 0.000 0.424 205 R N 4.079 124.433 120.500 -0.243 0.000 2.795 205 R HA 0.689 5.027 4.340 -0.002 0.000 0.275 205 R C -1.605 174.656 176.300 -0.065 0.000 0.981 205 R CA -0.948 55.005 56.100 -0.244 0.000 0.917 205 R CB 2.639 32.536 30.300 -0.671 0.000 1.202 205 R HN 0.442 nan 8.270 nan 0.000 0.469 206 I N 1.476 122.168 120.570 0.203 0.000 2.412 206 I HA 0.539 4.707 4.170 -0.002 0.000 0.296 206 I C 0.159 176.241 176.117 -0.058 0.000 0.987 206 I CA -0.540 60.766 61.300 0.009 0.000 1.180 206 I CB 1.411 39.393 38.000 -0.030 0.000 1.340 206 I HN 0.721 nan 8.210 nan 0.000 0.455 207 A N 6.820 129.624 122.820 -0.027 0.000 2.435 207 A HA 0.908 5.227 4.320 -0.002 0.000 0.296 207 A C -1.025 176.462 177.584 -0.162 0.000 1.147 207 A CA -0.643 51.383 52.037 -0.019 0.000 0.775 207 A CB 1.610 20.751 19.000 0.235 0.000 1.340 207 A HN 0.619 nan 8.150 nan 0.000 0.427 208 L N 0.982 122.029 121.223 -0.293 0.000 2.298 208 L HA 0.629 4.968 4.340 -0.002 0.000 0.284 208 L C 0.469 177.150 176.870 -0.315 0.000 1.013 208 L CA -0.328 54.120 54.840 -0.653 0.000 0.824 208 L CB 1.809 43.127 42.059 -1.235 0.000 1.221 208 L HN 0.844 nan 8.230 nan 0.000 0.418 209 G N 3.350 112.076 108.800 -0.122 0.000 4.465 209 G HA2 0.444 4.403 3.960 -0.002 0.000 0.330 209 G HA3 0.444 4.403 3.960 -0.002 0.000 0.330 209 G C -2.786 172.200 174.900 0.143 0.000 1.475 209 G CA -1.060 44.086 45.100 0.077 0.000 0.955 209 G HN 0.257 nan 8.290 nan 0.000 0.516 210 P HA 0.010 nan 4.420 nan 0.000 0.266 210 P C 1.294 178.637 177.300 0.072 0.000 1.193 210 P CA -0.382 62.727 63.100 0.016 0.000 0.770 210 P CB 1.257 32.660 31.700 -0.495 0.000 0.836 211 C N 2.431 121.815 119.300 0.141 0.000 2.413 211 C HA 0.174 4.633 4.460 -0.002 0.000 0.276 211 C C 1.233 176.473 174.990 0.416 0.000 1.248 211 C CA 1.980 61.146 59.018 0.246 0.000 1.742 211 C CB -1.736 26.031 27.740 0.046 0.000 2.017 211 C HN 0.782 nan 8.230 nan 0.000 0.481 212 G N -2.337 106.721 108.800 0.429 0.000 2.341 212 G HA2 0.255 4.214 3.960 -0.002 0.000 0.293 212 G HA3 0.255 4.214 3.960 -0.002 0.000 0.293 212 G C 0.091 175.190 174.900 0.333 0.000 1.298 212 G CA 0.123 45.495 45.100 0.453 0.000 0.868 212 G HN 0.156 nan 8.290 nan 0.000 0.540 213 V N 0.666 120.576 119.914 -0.006 0.000 2.407 213 V HA -0.037 4.082 4.120 -0.002 0.000 0.248 213 V C -0.294 175.573 176.094 -0.378 0.000 1.055 213 V CA 2.556 64.597 62.300 -0.432 0.000 1.049 213 V CB -0.930 30.421 31.823 -0.786 0.000 0.662 213 V HN 0.550 nan 8.190 nan 0.000 0.455 214 P HA -0.004 nan 4.420 nan 0.000 0.245 214 P C 0.401 177.270 177.300 -0.718 0.000 1.212 214 P CA 1.092 63.762 63.100 -0.717 0.000 0.774 214 P CB -0.079 31.006 31.700 -1.025 0.000 0.999 215 Y N -2.199 118.103 120.300 0.005 0.000 2.432 215 Y HA 0.304 4.852 4.550 -0.002 0.000 0.252 215 Y C 0.443 176.378 175.900 0.058 0.000 1.097 215 Y CA -0.429 57.700 58.100 0.048 0.000 1.250 215 Y CB 0.585 39.086 38.460 0.067 0.000 1.245 215 Y HN -0.148 nan 8.280 nan 0.000 0.522 216 D N 0.306 120.820 120.400 0.191 0.000 2.756 216 D HA 0.240 4.879 4.640 -0.002 0.000 0.226 216 D C -0.888 175.536 176.300 0.206 0.000 1.186 216 D CA -0.682 53.409 54.000 0.152 0.000 0.845 216 D CB 2.311 43.135 40.800 0.039 0.000 1.610 216 D HN -0.046 nan 8.370 nan 0.000 0.465 217 K N 1.537 122.003 120.400 0.111 0.000 2.326 217 K HA 0.145 4.464 4.320 -0.002 0.000 0.275 217 K C -1.559 175.143 176.600 0.171 0.000 1.018 217 K CA -1.216 55.141 56.287 0.116 0.000 0.962 217 K CB 0.912 33.425 32.500 0.022 0.000 0.953 217 K HN 0.041 nan 8.250 nan 0.000 0.475 218 P HA -0.199 nan 4.420 nan 0.000 0.216 218 P C 0.370 177.512 177.300 -0.264 0.000 1.150 218 P CA 1.360 64.254 63.100 -0.344 0.000 0.843 218 P CB 0.257 31.486 31.700 -0.785 0.000 0.787 219 E N -0.884 119.226 120.200 -0.149 0.000 2.118 219 E HA -0.175 4.174 4.350 -0.002 0.000 0.195 219 E C 1.848 178.369 176.600 -0.131 0.000 0.992 219 E CA 0.775 57.107 56.400 -0.113 0.000 0.804 219 E CB -1.021 28.629 29.700 -0.083 0.000 0.741 219 E HN 0.146 nan 8.360 nan 0.000 0.458 220 L N -0.483 120.630 121.223 -0.184 0.000 2.056 220 L HA -0.074 4.265 4.340 -0.002 0.000 0.207 220 L C 1.724 178.361 176.870 -0.388 0.000 1.078 220 L CA 1.549 56.138 54.840 -0.418 0.000 0.749 220 L CB -0.380 41.367 42.059 -0.520 0.000 0.901 220 L HN 0.061 nan 8.230 nan 0.000 0.433 221 F N 0.428 120.265 119.950 -0.188 0.000 2.126 221 F HA -0.221 4.305 4.527 -0.002 0.000 0.299 221 F C 2.491 178.439 175.800 0.247 0.000 1.096 221 F CA 1.925 59.904 58.000 -0.034 0.000 1.255 221 F CB -0.521 38.248 39.000 -0.385 0.000 0.997 221 F HN 0.190 nan 8.300 nan 0.000 0.479 222 E N 0.001 120.333 120.200 0.220 0.000 2.072 222 E HA -0.170 4.178 4.350 -0.002 0.000 0.191 222 E C 2.451 179.150 176.600 0.164 0.000 0.985 222 E CA 0.913 57.430 56.400 0.195 0.000 0.801 222 E CB -0.390 29.364 29.700 0.090 0.000 0.750 222 E HN 0.382 nan 8.360 nan 0.000 0.452 223 A N 1.228 124.086 122.820 0.063 0.000 1.908 223 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 223 A C 1.885 179.595 177.584 0.211 0.000 1.181 223 A CA 1.251 53.317 52.037 0.048 0.000 0.627 223 A CB -0.630 18.307 19.000 -0.104 0.000 0.818 223 A HN 0.151 nan 8.150 nan 0.000 0.445 224 F N -0.002 120.037 119.950 0.149 0.000 2.234 224 F HA 0.016 4.542 4.527 -0.003 0.000 0.299 224 F C 2.787 178.649 175.800 0.104 0.000 1.087 224 F CA 0.092 58.180 58.000 0.147 0.000 1.340 224 F CB -1.112 38.043 39.000 0.259 0.000 1.031 224 F HN 0.285 nan 8.300 nan 0.000 0.500 225 A N -0.519 122.520 122.820 0.366 0.000 1.902 225 A HA -0.256 4.063 4.320 -0.002 0.000 0.217 225 A C 2.158 179.798 177.584 0.094 0.000 1.181 225 A CA 1.844 53.959 52.037 0.131 0.000 0.623 225 A CB -0.766 18.346 19.000 0.187 0.000 0.818 225 A HN 0.343 nan 8.150 nan 0.000 0.443 226 Q N -0.635 119.245 119.800 0.133 0.000 2.079 226 Q HA -0.094 4.244 4.340 -0.002 0.000 0.200 226 Q C 2.056 178.128 176.000 0.121 0.000 0.974 226 Q CA 2.075 57.938 55.803 0.101 0.000 0.840 226 Q CB -0.389 28.407 28.738 0.096 0.000 0.898 226 Q HN 0.658 nan 8.270 nan 0.000 0.430 227 M N -0.840 118.865 119.600 0.175 0.000 2.117 227 M HA -0.150 4.328 4.480 -0.002 0.000 0.262 227 M C 1.855 178.261 176.300 0.176 0.000 1.065 227 M CA 1.792 57.225 55.300 0.222 0.000 1.114 227 M CB -0.184 32.537 32.600 0.203 0.000 1.361 227 M HN 0.320 nan 8.290 nan 0.000 0.408 228 A N 0.135 122.993 122.820 0.065 0.000 1.902 228 A HA -0.066 4.252 4.320 -0.002 0.000 0.217 228 A C 2.258 179.845 177.584 0.005 0.000 1.181 228 A CA 1.877 53.905 52.037 -0.014 0.000 0.623 228 A CB -1.070 17.863 19.000 -0.111 0.000 0.818 228 A HN 0.646 nan 8.150 nan 0.000 0.443 229 A N -0.100 122.725 122.820 0.009 0.000 1.898 229 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 229 A C 1.764 179.339 177.584 -0.016 0.000 1.181 229 A CA 1.813 53.846 52.037 -0.006 0.000 0.620 229 A CB -0.513 18.483 19.000 -0.006 0.000 0.819 229 A HN 0.432 nan 8.150 nan 0.000 0.442 230 D N -1.623 118.775 120.400 -0.003 0.000 2.144 230 D HA -0.082 4.556 4.640 -0.002 0.000 0.200 230 D C 0.960 177.093 176.300 -0.278 0.000 0.978 230 D CA 1.263 55.186 54.000 -0.129 0.000 0.833 230 D CB -0.218 40.506 40.800 -0.126 0.000 0.961 230 D HN 0.645 nan 8.370 nan 0.000 0.470 231 Y N -0.110 120.160 120.300 -0.050 0.000 2.467 231 Y HA 0.110 4.659 4.550 -0.002 0.000 0.250 231 Y C 0.068 175.917 175.900 -0.085 0.000 1.155 231 Y CA -0.426 57.631 58.100 -0.071 0.000 1.249 231 Y CB 0.554 38.949 38.460 -0.107 0.000 1.146 231 Y HN -0.229 nan 8.280 nan 0.000 0.524 232 D N 1.006 121.427 120.400 0.034 0.000 2.697 232 D HA -0.146 4.493 4.640 -0.002 0.000 0.238 232 D C -0.575 175.722 176.300 -0.006 0.000 1.152 232 D CA 0.876 54.883 54.000 0.011 0.000 0.666 232 D CB -0.914 39.899 40.800 0.022 0.000 1.037 232 D HN 0.201 nan 8.370 nan 0.000 0.423 233 V N -2.233 117.647 119.914 -0.056 0.000 3.204 233 V HA 0.796 4.914 4.120 -0.002 0.000 0.316 233 V C 0.704 176.762 176.094 -0.060 0.000 1.160 233 V CA -0.968 61.266 62.300 -0.110 0.000 1.044 233 V CB 1.916 33.579 31.823 -0.266 0.000 1.136 233 V HN 0.124 nan 8.190 nan 0.000 0.455 234 R N 0.179 120.675 120.500 -0.006 0.000 2.782 234 R HA 0.814 5.153 4.340 -0.002 0.000 0.258 234 R C -1.278 175.012 176.300 -0.017 0.000 1.055 234 R CA -0.842 55.294 56.100 0.059 0.000 1.065 234 R CB 1.616 32.065 30.300 0.249 0.000 1.172 234 R HN 0.661 nan 8.270 nan 0.000 0.510 235 L N 0.901 122.066 121.223 -0.096 0.000 2.362 235 L HA 0.451 4.789 4.340 -0.002 0.000 0.275 235 L C -0.888 175.832 176.870 -0.251 0.000 0.998 235 L CA -0.835 53.762 54.840 -0.406 0.000 0.820 235 L CB 1.749 43.121 42.059 -1.145 0.000 1.270 235 L HN 0.558 nan 8.230 nan 0.000 0.415 236 H N 1.055 119.952 119.070 -0.289 0.000 2.771 236 H HA 0.721 5.276 4.556 -0.002 0.000 0.361 236 H C -1.299 174.017 175.328 -0.021 0.000 1.108 236 H CA -0.241 55.471 56.048 -0.560 0.000 1.201 236 H CB 2.339 31.285 29.762 -1.360 0.000 1.681 236 H HN 0.566 nan 8.280 nan 0.000 0.534 237 T N 2.474 116.761 114.554 -0.446 0.000 2.769 237 T HA 0.298 4.646 4.350 -0.002 0.000 0.306 237 T C -1.197 173.274 174.700 -0.382 0.000 1.400 237 T CA -0.703 61.202 62.100 -0.324 0.000 1.007 237 T CB 0.545 69.435 68.868 0.037 0.000 1.392 237 T HN 0.739 nan 8.240 nan 0.000 0.500 238 H N 0.562 119.619 119.070 -0.022 0.000 2.615 238 H HA 0.599 5.153 4.556 -0.002 0.000 0.363 238 H C -0.903 174.555 175.328 0.217 0.000 1.148 238 H CA 0.289 56.410 56.048 0.122 0.000 1.401 238 H CB 0.514 30.401 29.762 0.208 0.000 1.461 238 H HN 0.359 nan 8.280 nan 0.000 0.588 239 F N 1.561 121.597 119.950 0.143 0.000 2.605 239 F HA 0.181 4.706 4.527 -0.002 0.000 0.320 239 F C -1.204 174.646 175.800 0.083 0.000 1.159 239 F CA -1.119 56.899 58.000 0.029 0.000 0.999 239 F CB 0.439 39.457 39.000 0.030 0.000 1.258 239 F HN 0.715 nan 8.300 nan 0.000 0.464 240 Y N 2.664 122.717 120.300 -0.411 0.000 3.168 240 Y HA -0.270 4.279 4.550 -0.001 0.000 0.207 240 Y C 0.522 176.215 175.900 -0.346 0.000 1.280 240 Y CA 0.865 58.698 58.100 -0.444 0.000 1.235 240 Y CB -0.838 37.261 38.460 -0.602 0.000 1.370 240 Y HN 0.545 nan 8.280 nan 0.000 0.537 241 E N 0.405 120.415 120.200 -0.317 0.000 2.390 241 E HA -0.008 4.340 4.350 -0.002 0.000 0.261 241 E C -1.429 174.809 176.600 -0.604 0.000 1.076 241 E CA -1.496 54.451 56.400 -0.755 0.000 0.905 241 E CB 0.499 29.610 29.700 -0.982 0.000 0.984 241 E HN 0.049 nan 8.360 nan 0.000 0.427 242 P HA -0.200 nan 4.420 nan 0.000 0.216 242 P C 0.826 177.986 177.300 -0.233 0.000 1.154 242 P CA 1.406 64.264 63.100 -0.404 0.000 0.865 242 P CB 0.172 31.633 31.700 -0.398 0.000 0.789 243 L N -1.575 119.511 121.223 -0.227 0.000 2.591 243 L HA -0.009 4.329 4.340 -0.002 0.000 0.228 243 L C 1.526 178.304 176.870 -0.154 0.000 1.133 243 L CA 0.493 55.260 54.840 -0.122 0.000 0.880 243 L CB -0.642 41.394 42.059 -0.039 0.000 1.033 243 L HN -0.062 nan 8.230 nan 0.000 0.450 244 D N 1.084 121.363 120.400 -0.200 0.000 2.117 244 D HA -0.148 4.491 4.640 -0.002 0.000 0.198 244 D C 2.291 178.471 176.300 -0.200 0.000 0.982 244 D CA 1.493 55.350 54.000 -0.239 0.000 0.828 244 D CB 0.074 40.702 40.800 -0.288 0.000 0.967 244 D HN 0.272 nan 8.370 nan 0.000 0.464 245 A N 0.668 123.421 122.820 -0.112 0.000 1.972 245 A HA -0.003 4.315 4.320 -0.002 0.000 0.219 245 A C 2.342 179.899 177.584 -0.044 0.000 1.169 245 A CA 1.974 53.991 52.037 -0.032 0.000 0.635 245 A CB -1.005 18.050 19.000 0.092 0.000 0.810 245 A HN 0.303 nan 8.150 nan 0.000 0.446 246 G N -0.832 107.928 108.800 -0.066 0.000 2.402 246 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.216 246 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.216 246 G C 1.585 176.430 174.900 -0.093 0.000 1.162 246 G CA 1.190 46.252 45.100 -0.064 0.000 0.777 246 G HN 0.401 nan 8.290 nan 0.000 0.539 247 M N 2.287 121.784 119.600 -0.171 0.000 2.086 247 M HA -0.101 4.377 4.480 -0.002 0.000 0.261 247 M C 2.777 178.946 176.300 -0.219 0.000 1.067 247 M CA 2.386 57.530 55.300 -0.259 0.000 1.116 247 M CB -0.725 31.630 32.600 -0.408 0.000 1.348 247 M HN 0.354 nan 8.290 nan 0.000 0.407 248 S N -0.564 115.035 115.700 -0.169 0.000 2.402 248 S HA -0.184 4.284 4.470 -0.002 0.000 0.229 248 S C 1.587 176.192 174.600 0.008 0.000 1.021 248 S CA 1.653 59.820 58.200 -0.055 0.000 0.974 248 S CB -0.712 62.455 63.200 -0.054 0.000 0.800 248 S HN 0.597 nan 8.310 nan 0.000 0.484 249 D N 1.018 121.417 120.400 -0.001 0.000 2.097 249 D HA -0.216 4.422 4.640 -0.002 0.000 0.195 249 D C 1.939 178.255 176.300 0.026 0.000 0.989 249 D CA 1.611 55.630 54.000 0.031 0.000 0.827 249 D CB -0.497 40.321 40.800 0.030 0.000 0.966 249 D HN 0.701 nan 8.370 nan 0.000 0.456 250 H N -0.326 118.669 119.070 -0.125 0.000 2.321 250 H HA -0.045 4.509 4.556 -0.002 0.000 0.300 250 H C 2.172 177.376 175.328 -0.206 0.000 1.087 250 H CA 0.958 56.919 56.048 -0.146 0.000 1.319 250 H CB -0.015 29.648 29.762 -0.165 0.000 1.379 250 H HN 0.195 nan 8.280 nan 0.000 0.501 251 L N -0.287 120.652 121.223 -0.474 0.000 2.162 251 L HA -0.130 4.209 4.340 -0.002 0.000 0.205 251 L C 1.207 177.677 176.870 -0.667 0.000 1.086 251 L CA 0.906 55.276 54.840 -0.783 0.000 0.778 251 L CB 0.056 41.434 42.059 -1.135 0.000 0.928 251 L HN 0.364 nan 8.230 nan 0.000 0.446 252 Y N -1.533 118.726 120.300 -0.069 0.000 2.448 252 Y HA 0.334 4.883 4.550 -0.003 0.000 0.257 252 Y C 1.575 177.479 175.900 0.006 0.000 1.089 252 Y CA 0.043 58.142 58.100 -0.001 0.000 1.245 252 Y CB 0.178 38.687 38.460 0.082 0.000 1.282 252 Y HN 0.103 nan 8.280 nan 0.000 0.529 253 G N 1.706 110.571 108.800 0.108 0.000 2.198 253 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.260 253 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.260 253 G C 0.118 175.078 174.900 0.101 0.000 1.025 253 G CA 0.841 45.991 45.100 0.083 0.000 0.769 253 G HN 0.424 nan 8.290 nan 0.000 0.507 254 M N -1.771 117.912 119.600 0.138 0.000 2.683 254 M HA 0.753 5.232 4.480 -0.002 0.000 0.274 254 M C 0.240 176.621 176.300 0.135 0.000 1.272 254 M CA -0.359 55.016 55.300 0.125 0.000 0.833 254 M CB 1.277 33.942 32.600 0.108 0.000 1.708 254 M HN 0.587 nan 8.290 nan 0.000 0.463 255 T N -2.011 112.635 114.554 0.154 0.000 2.828 255 T HA 0.408 4.757 4.350 -0.002 0.000 0.290 255 T C -2.243 172.539 174.700 0.137 0.000 1.019 255 T CA -1.076 61.135 62.100 0.185 0.000 1.031 255 T CB 0.391 69.455 68.868 0.327 0.000 1.001 255 T HN 0.555 nan 8.240 nan 0.000 0.531 256 P HA -0.056 nan 4.420 nan 0.000 0.216 256 P C 1.371 178.765 177.300 0.157 0.000 1.150 256 P CA 0.866 63.867 63.100 -0.166 0.000 0.837 256 P CB -0.102 31.194 31.700 -0.673 0.000 0.786 257 W N 0.793 122.204 121.300 0.186 0.000 2.355 257 W HA -0.155 4.504 4.660 -0.002 0.000 0.309 257 W C 1.714 178.393 176.519 0.266 0.000 1.206 257 W CA 0.983 58.591 57.345 0.438 0.000 1.284 257 W CB -0.327 29.581 29.460 0.747 0.000 1.145 257 W HN -0.157 nan 8.180 nan 0.000 0.502 258 R N 0.003 120.578 120.500 0.126 0.000 2.096 258 R HA -0.207 4.132 4.340 -0.002 0.000 0.235 258 R C 2.178 178.371 176.300 -0.178 0.000 1.127 258 R CA 1.633 57.672 56.100 -0.102 0.000 0.968 258 R CB -1.574 28.751 30.300 0.041 0.000 0.861 258 R HN 0.333 nan 8.270 nan 0.000 0.440 259 F N 1.674 121.486 119.950 -0.229 0.000 2.069 259 F HA -0.188 4.337 4.527 -0.003 0.000 0.298 259 F C 2.160 177.735 175.800 -0.374 0.000 1.113 259 F CA 1.427 59.236 58.000 -0.319 0.000 1.214 259 F CB -0.268 38.542 39.000 -0.316 0.000 0.978 259 F HN -0.120 nan 8.300 nan 0.000 0.474 260 L N 0.207 121.374 121.223 -0.093 0.000 2.042 260 L HA -0.237 4.101 4.340 -0.002 0.000 0.210 260 L C 2.532 179.202 176.870 -0.333 0.000 1.076 260 L CA 1.931 56.639 54.840 -0.221 0.000 0.749 260 L CB -0.883 41.140 42.059 -0.060 0.000 0.893 260 L HN 0.308 nan 8.230 nan 0.000 0.432 261 E N 0.730 120.593 120.200 -0.562 0.000 2.058 261 E HA -0.304 4.044 4.350 -0.002 0.000 0.194 261 E C 2.238 178.600 176.600 -0.396 0.000 0.997 261 E CA 1.512 57.594 56.400 -0.531 0.000 0.801 261 E CB 0.040 29.354 29.700 -0.643 0.000 0.746 261 E HN 0.289 nan 8.360 nan 0.000 0.450 262 K N -0.486 119.597 120.400 -0.528 0.000 2.147 262 K HA -0.153 4.165 4.320 -0.002 0.000 0.205 262 K C 1.057 177.237 176.600 -0.700 0.000 1.049 262 K CA 1.316 57.209 56.287 -0.656 0.000 0.936 262 K CB 0.017 31.966 32.500 -0.919 0.000 0.722 262 K HN 0.287 nan 8.250 nan 0.000 0.446 263 H N -1.442 117.398 119.070 -0.383 0.000 2.487 263 H HA 0.203 4.758 4.556 -0.002 0.000 0.290 263 H C 0.714 176.072 175.328 0.050 0.000 1.081 263 H CA 0.602 56.486 56.048 -0.272 0.000 1.116 263 H CB 1.069 30.496 29.762 -0.557 0.000 1.560 263 H HN 0.507 nan 8.280 nan 0.000 0.548 264 G N 0.475 109.340 108.800 0.109 0.000 2.157 264 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.239 264 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.239 264 G C 0.355 175.389 174.900 0.224 0.000 0.982 264 G CA -0.081 45.119 45.100 0.167 0.000 0.650 264 G HN 0.406 nan 8.290 nan 0.000 0.527 265 W N 0.674 121.937 121.300 -0.061 0.000 3.132 265 W HA 0.692 5.351 4.660 -0.003 0.000 0.364 265 W C 1.288 177.767 176.519 -0.067 0.000 1.129 265 W CA -0.059 57.277 57.345 -0.015 0.000 1.815 265 W CB 0.382 29.871 29.460 0.048 0.000 1.099 265 W HN 0.646 nan 8.180 nan 0.000 0.605 266 A N 1.565 124.392 122.820 0.012 0.000 3.015 266 A HA 0.557 4.875 4.320 -0.002 0.000 0.293 266 A C 0.353 178.001 177.584 0.105 0.000 1.572 266 A CA 0.266 52.314 52.037 0.018 0.000 1.274 266 A CB -0.698 18.188 19.000 -0.191 0.000 1.156 266 A HN 0.016 nan 8.150 nan 0.000 0.562 267 S N -0.091 115.674 115.700 0.109 0.000 2.625 267 S HA 0.464 4.932 4.470 -0.002 0.000 0.271 267 S C -0.106 174.528 174.600 0.056 0.000 1.161 267 S CA -0.032 58.204 58.200 0.059 0.000 0.820 267 S CB 1.151 64.346 63.200 -0.008 0.000 1.137 267 S HN 0.408 nan 8.310 nan 0.000 0.470 268 D N 0.033 120.456 120.400 0.038 0.000 2.352 268 D HA 0.059 4.698 4.640 -0.002 0.000 0.232 268 D C 1.098 177.409 176.300 0.017 0.000 1.055 268 D CA 0.066 54.087 54.000 0.035 0.000 0.891 268 D CB -0.286 40.533 40.800 0.030 0.000 0.897 268 D HN 0.540 nan 8.370 nan 0.000 0.529 269 R N -0.157 120.334 120.500 -0.015 0.000 2.310 269 R HA 0.189 4.527 4.340 -0.002 0.000 0.202 269 R C -0.125 176.174 176.300 -0.002 0.000 0.933 269 R CA 0.042 56.122 56.100 -0.034 0.000 1.054 269 R CB 0.717 30.951 30.300 -0.110 0.000 0.985 269 R HN 0.103 nan 8.270 nan 0.000 0.489 270 V N 1.279 121.209 119.914 0.026 0.000 2.459 270 V HA 0.287 4.406 4.120 -0.002 0.000 0.295 270 V C -0.729 175.513 176.094 0.247 0.000 1.029 270 V CA -0.929 61.406 62.300 0.059 0.000 0.874 270 V CB 1.212 33.043 31.823 0.014 0.000 0.985 270 V HN 0.283 nan 8.190 nan 0.000 0.438 271 W N 5.382 126.710 121.300 0.046 0.000 2.736 271 W HA 0.866 5.524 4.660 -0.003 0.000 0.335 271 W C -1.983 174.668 176.519 0.219 0.000 1.059 271 W CA -1.113 56.276 57.345 0.074 0.000 1.226 271 W CB 1.165 30.630 29.460 0.009 0.000 1.416 271 W HN 0.372 nan 8.180 nan 0.000 0.505 272 L N 4.344 125.639 121.223 0.119 0.000 2.356 272 L HA 0.724 5.063 4.340 -0.002 0.000 0.277 272 L C 0.226 177.124 176.870 0.047 0.000 0.996 272 L CA -1.351 53.463 54.840 -0.045 0.000 0.822 272 L CB 1.711 43.596 42.059 -0.291 0.000 1.256 272 L HN 0.769 nan 8.230 nan 0.000 0.413 273 A N 1.875 124.661 122.820 -0.056 0.000 2.331 273 A HA 0.585 4.904 4.320 -0.002 0.000 0.283 273 A C 0.415 178.063 177.584 0.106 0.000 1.142 273 A CA 0.099 52.042 52.037 -0.157 0.000 0.812 273 A CB 0.073 18.651 19.000 -0.704 0.000 1.074 273 A HN 1.038 nan 8.150 nan 0.000 0.497 274 H N 1.173 120.311 119.070 0.114 0.000 4.750 274 H HA -0.307 4.248 4.556 -0.003 0.000 0.061 274 H C 1.152 176.633 175.328 0.256 0.000 0.613 274 H CA 1.654 57.826 56.048 0.207 0.000 0.921 274 H CB -1.764 28.141 29.762 0.238 0.000 0.422 274 H HN 2.301 nan 8.280 nan 0.000 0.809 275 A N 0.512 123.575 122.820 0.406 0.000 2.610 275 A HA -0.147 4.172 4.320 -0.002 0.000 0.299 275 A C 1.550 179.321 177.584 0.311 0.000 1.487 275 A CA 1.338 53.593 52.037 0.362 0.000 0.743 275 A CB -1.897 17.346 19.000 0.405 0.000 1.070 275 A HN 0.466 nan 8.150 nan 0.000 0.439 276 V N -0.796 119.237 119.914 0.199 0.000 2.407 276 V HA -0.069 4.049 4.120 -0.002 0.000 0.245 276 V C 1.677 177.792 176.094 0.036 0.000 1.041 276 V CA 1.982 64.369 62.300 0.146 0.000 1.040 276 V CB -0.063 31.828 31.823 0.112 0.000 0.671 276 V HN 1.543 nan 8.190 nan 0.000 0.455 277 V N -1.681 118.205 119.914 -0.048 0.000 2.647 277 V HA 0.463 4.581 4.120 -0.002 0.000 0.305 277 V C -2.455 173.403 176.094 -0.393 0.000 1.162 277 V CA -1.717 60.498 62.300 -0.142 0.000 1.248 277 V CB 0.071 31.831 31.823 -0.105 0.000 1.508 277 V HN 0.303 nan 8.190 nan 0.000 0.647 278 P HA 0.397 nan 4.420 nan 0.000 0.274 278 P C -2.738 174.266 177.300 -0.494 0.000 1.231 278 P CA -1.316 61.168 63.100 -1.026 0.000 0.790 278 P CB 0.407 31.870 31.700 -0.395 0.000 0.951 279 P HA 0.153 nan 4.420 nan 0.000 0.268 279 P C 1.094 178.272 177.300 -0.203 0.000 1.204 279 P CA -0.113 62.863 63.100 -0.206 0.000 0.768 279 P CB 0.317 31.953 31.700 -0.108 0.000 0.842 280 R N 2.439 122.845 120.500 -0.155 0.000 2.127 280 R HA -0.141 4.197 4.340 -0.002 0.000 0.238 280 R C 1.369 177.563 176.300 -0.176 0.000 1.134 280 R CA 1.480 57.487 56.100 -0.154 0.000 0.975 280 R CB -0.773 29.460 30.300 -0.112 0.000 0.865 280 R HN 0.562 nan 8.270 nan 0.000 0.447 281 E N 0.544 120.657 120.200 -0.145 0.000 2.338 281 E HA -0.118 4.231 4.350 -0.002 0.000 0.197 281 E C 1.444 177.922 176.600 -0.203 0.000 1.007 281 E CA 0.769 57.091 56.400 -0.130 0.000 0.849 281 E CB -0.027 29.633 29.700 -0.067 0.000 0.774 281 E HN 0.477 nan 8.360 nan 0.000 0.506 282 E N -0.121 119.885 120.200 -0.323 0.000 2.371 282 E HA 0.012 4.360 4.350 -0.002 0.000 0.194 282 E C 1.697 177.571 176.600 -1.210 0.000 1.012 282 E CA 0.051 56.093 56.400 -0.596 0.000 0.860 282 E CB 0.062 29.465 29.700 -0.495 0.000 0.811 282 E HN 0.302 nan 8.360 nan 0.000 0.502 283 I N 1.617 121.643 120.570 -0.906 0.000 2.163 283 I HA -0.221 3.948 4.170 -0.002 0.000 0.243 283 I C -0.769 175.061 176.117 -0.477 0.000 1.085 283 I CA 1.182 62.012 61.300 -0.784 0.000 1.347 283 I CB -1.216 36.655 38.000 -0.215 0.000 1.044 283 I HN 0.068 nan 8.210 nan 0.000 0.408 284 P HA -0.154 nan 4.420 nan 0.000 0.220 284 P C 1.202 178.429 177.300 -0.121 0.000 1.148 284 P CA 1.350 64.364 63.100 -0.144 0.000 0.803 284 P CB -0.052 31.592 31.700 -0.093 0.000 0.782 285 E N -1.449 118.621 120.200 -0.218 0.000 2.107 285 E HA -0.128 4.220 4.350 -0.002 0.000 0.191 285 E C 1.689 178.308 176.600 0.031 0.000 0.982 285 E CA 0.877 57.263 56.400 -0.023 0.000 0.809 285 E CB -0.487 29.280 29.700 0.111 0.000 0.756 285 E HN 0.215 nan 8.360 nan 0.000 0.459 286 F N 1.274 121.000 119.950 -0.374 0.000 2.126 286 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 286 F C 2.497 178.233 175.800 -0.108 0.000 1.096 286 F CA 0.890 58.646 58.000 -0.407 0.000 1.255 286 F CB -1.415 37.343 39.000 -0.403 0.000 0.997 286 F HN -0.002 nan 8.300 nan 0.000 0.479 287 A N 0.199 123.083 122.820 0.107 0.000 1.877 287 A HA -0.179 4.140 4.320 -0.002 0.000 0.216 287 A C 2.012 179.651 177.584 0.092 0.000 1.186 287 A CA 1.982 54.070 52.037 0.085 0.000 0.620 287 A CB -0.897 18.134 19.000 0.053 0.000 0.822 287 A HN 0.275 nan 8.150 nan 0.000 0.443 288 D N 0.009 120.468 120.400 0.098 0.000 2.178 288 D HA -0.018 4.621 4.640 -0.002 0.000 0.201 288 D C 2.066 178.452 176.300 0.143 0.000 0.980 288 D CA 1.412 55.477 54.000 0.107 0.000 0.842 288 D CB -0.329 40.535 40.800 0.107 0.000 0.948 288 D HN 0.444 nan 8.370 nan 0.000 0.472 289 A N -0.184 122.767 122.820 0.218 0.000 2.067 289 A HA 0.303 4.621 4.320 -0.002 0.000 0.217 289 A C 1.882 179.570 177.584 0.174 0.000 1.156 289 A CA 1.450 53.638 52.037 0.251 0.000 0.683 289 A CB -0.282 19.006 19.000 0.479 0.000 0.808 289 A HN 0.280 nan 8.150 nan 0.000 0.455 290 G N -0.870 108.015 108.800 0.141 0.000 2.136 290 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.242 290 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.242 290 G C 0.412 175.363 174.900 0.085 0.000 0.989 290 G CA 0.554 45.710 45.100 0.093 0.000 0.682 290 G HN 1.721 nan 8.290 nan 0.000 0.522 291 V N -1.704 118.273 119.914 0.105 0.000 2.963 291 V HA 0.798 4.917 4.120 -0.002 0.000 0.306 291 V C 0.718 176.820 176.094 0.013 0.000 1.077 291 V CA 0.022 62.358 62.300 0.061 0.000 1.124 291 V CB 1.433 33.271 31.823 0.024 0.000 0.987 291 V HN 1.841 nan 8.190 nan 0.000 0.487 292 A N 4.503 127.345 122.820 0.037 0.000 2.330 292 A HA 0.896 5.215 4.320 -0.002 0.000 0.329 292 A C -0.517 177.084 177.584 0.027 0.000 1.135 292 A CA -0.916 51.142 52.037 0.035 0.000 0.817 292 A CB 1.064 20.109 19.000 0.074 0.000 1.269 292 A HN 0.907 nan 8.150 nan 0.000 0.469 293 I N 0.872 121.437 120.570 -0.008 0.000 2.498 293 I HA 0.515 4.683 4.170 -0.002 0.000 0.290 293 I C 0.238 176.407 176.117 0.087 0.000 1.032 293 I CA -0.534 60.758 61.300 -0.013 0.000 1.073 293 I CB 2.111 39.972 38.000 -0.231 0.000 1.251 293 I HN 0.705 nan 8.210 nan 0.000 0.426 294 A N 4.681 127.589 122.820 0.145 0.000 2.249 294 A HA 0.408 4.726 4.320 -0.002 0.000 0.314 294 A C -0.693 176.907 177.584 0.027 0.000 1.290 294 A CA -0.299 51.806 52.037 0.113 0.000 0.893 294 A CB 0.008 19.124 19.000 0.193 0.000 1.165 294 A HN 0.720 nan 8.150 nan 0.000 0.530 295 H N 2.717 121.675 119.070 -0.186 0.000 2.767 295 H HA 0.461 5.016 4.556 -0.002 0.000 0.316 295 H C -0.757 174.167 175.328 -0.673 0.000 1.059 295 H CA -0.384 55.463 56.048 -0.336 0.000 1.461 295 H CB 0.383 29.953 29.762 -0.320 0.000 1.475 295 H HN 0.482 nan 8.280 nan 0.000 0.531 296 L N 7.516 128.436 121.223 -0.506 0.000 2.556 296 L HA 0.165 4.504 4.340 -0.002 0.000 0.243 296 L C 1.138 177.804 176.870 -0.340 0.000 1.331 296 L CA -0.349 54.215 54.840 -0.459 0.000 0.927 296 L CB 0.508 42.355 42.059 -0.352 0.000 1.219 296 L HN 0.562 nan 8.230 nan 0.000 0.490 297 I N 1.879 122.093 120.570 -0.593 0.000 2.226 297 I HA -0.237 3.932 4.170 -0.002 0.000 0.245 297 I C 2.443 178.514 176.117 -0.077 0.000 1.100 297 I CA 2.116 63.243 61.300 -0.289 0.000 1.374 297 I CB 0.219 38.127 38.000 -0.153 0.000 1.057 297 I HN 0.560 nan 8.210 nan 0.000 0.413 298 A N 1.659 124.458 122.820 -0.035 0.000 1.858 298 A HA -0.083 4.235 4.320 -0.002 0.000 0.216 298 A C 0.122 177.662 177.584 -0.074 0.000 1.190 298 A CA 2.058 54.081 52.037 -0.022 0.000 0.617 298 A CB -2.288 16.723 19.000 0.019 0.000 0.827 298 A HN 0.450 nan 8.150 nan 0.000 0.443 299 P HA -0.106 nan 4.420 nan 0.000 0.219 299 P C 0.165 177.272 177.300 -0.321 0.000 1.150 299 P CA 1.329 64.309 63.100 -0.201 0.000 0.814 299 P CB -0.155 31.511 31.700 -0.057 0.000 0.787 300 D N -0.012 120.354 120.400 -0.057 0.000 2.144 300 D HA -0.089 4.549 4.640 -0.002 0.000 0.199 300 D C 2.165 178.417 176.300 -0.081 0.000 0.984 300 D CA 0.952 54.987 54.000 0.059 0.000 0.834 300 D CB -0.647 40.305 40.800 0.253 0.000 0.955 300 D HN 0.220 nan 8.370 nan 0.000 0.465 301 L N 0.002 121.165 121.223 -0.100 0.000 2.068 301 L HA -0.000 4.339 4.340 -0.002 0.000 0.204 301 L C 2.607 179.366 176.870 -0.185 0.000 1.076 301 L CA 0.592 55.366 54.840 -0.110 0.000 0.753 301 L CB -0.323 41.689 42.059 -0.077 0.000 0.910 301 L HN -0.063 nan 8.230 nan 0.000 0.439 302 R N 0.176 120.535 120.500 -0.235 0.000 2.105 302 R HA -0.160 4.179 4.340 -0.002 0.000 0.239 302 R C 2.027 178.102 176.300 -0.376 0.000 1.135 302 R CA 1.327 57.271 56.100 -0.261 0.000 0.967 302 R CB 0.034 30.182 30.300 -0.254 0.000 0.861 302 R HN 0.264 nan 8.270 nan 0.000 0.442 303 M N -0.806 118.412 119.600 -0.636 0.000 2.595 303 M HA 0.119 4.597 4.480 -0.002 0.000 0.248 303 M C 1.125 177.120 176.300 -0.508 0.000 1.119 303 M CA 0.978 55.779 55.300 -0.830 0.000 1.079 303 M CB 0.067 31.500 32.600 -1.945 0.000 1.472 303 M HN 0.456 nan 8.290 nan 0.000 0.501 304 G N -0.843 107.779 108.800 -0.297 0.000 2.143 304 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.249 304 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.249 304 G C 0.477 175.438 174.900 0.102 0.000 0.981 304 G CA 0.307 45.363 45.100 -0.073 0.000 0.665 304 G HN 0.458 nan 8.290 nan 0.000 0.528 305 W N 0.311 121.580 121.300 -0.051 0.000 2.453 305 W HA 0.405 5.064 4.660 -0.002 0.000 0.289 305 W C 1.762 178.266 176.519 -0.024 0.000 1.215 305 W CA 1.603 58.924 57.345 -0.040 0.000 1.297 305 W CB -0.886 28.544 29.460 -0.050 0.000 1.113 305 W HN 1.367 nan 8.180 nan 0.000 0.551 306 G N -0.228 108.689 108.800 0.195 0.000 2.416 306 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.203 306 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.203 306 G C -1.381 173.570 174.900 0.086 0.000 1.227 306 G CA -0.761 44.396 45.100 0.095 0.000 1.041 306 G HN -0.021 nan 8.290 nan 0.000 0.546 307 L N 1.260 122.508 121.223 0.042 0.000 2.276 307 L HA 0.671 5.010 4.340 -0.002 0.000 0.286 307 L C 1.092 178.023 176.870 0.102 0.000 1.024 307 L CA -0.331 54.517 54.840 0.014 0.000 0.826 307 L CB 1.335 43.343 42.059 -0.085 0.000 1.211 307 L HN 1.096 nan 8.230 nan 0.000 0.422 308 A N 5.855 128.788 122.820 0.189 0.000 2.483 308 A HA 0.347 4.666 4.320 -0.002 0.000 0.238 308 A C -1.990 175.583 177.584 -0.020 0.000 1.070 308 A CA -0.853 51.257 52.037 0.122 0.000 0.770 308 A CB -0.290 18.838 19.000 0.213 0.000 1.008 308 A HN 0.533 nan 8.150 nan 0.000 0.497 309 P HA 0.108 nan 4.420 nan 0.000 0.225 309 P C 0.605 177.505 177.300 -0.667 0.000 1.813 309 P CA -0.209 62.648 63.100 -0.405 0.000 1.013 309 P CB -0.025 31.398 31.700 -0.461 0.000 1.961 310 I N 0.981 121.308 120.570 -0.405 0.000 2.252 310 I HA -0.171 3.998 4.170 -0.002 0.000 0.245 310 I C 2.472 178.472 176.117 -0.194 0.000 1.102 310 I CA 1.171 62.289 61.300 -0.304 0.000 1.385 310 I CB -1.199 36.555 38.000 -0.410 0.000 1.064 310 I HN 0.179 nan 8.210 nan 0.000 0.414 311 R N 1.857 122.240 120.500 -0.195 0.000 2.091 311 R HA -0.206 4.133 4.340 -0.002 0.000 0.238 311 R C 1.992 178.241 176.300 -0.085 0.000 1.136 311 R CA 1.703 57.743 56.100 -0.100 0.000 0.959 311 R CB -0.433 29.828 30.300 -0.064 0.000 0.856 311 R HN 0.291 nan 8.270 nan 0.000 0.437 312 E N -0.954 119.148 120.200 -0.163 0.000 2.110 312 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 312 E C 1.783 178.372 176.600 -0.019 0.000 0.988 312 E CA 1.447 57.767 56.400 -0.133 0.000 0.804 312 E CB -0.343 29.227 29.700 -0.217 0.000 0.745 312 E HN 0.386 nan 8.360 nan 0.000 0.458 313 Y N 0.388 120.689 120.300 0.002 0.000 2.145 313 Y HA -0.116 4.433 4.550 -0.002 0.000 0.286 313 Y C 2.082 177.992 175.900 0.017 0.000 1.145 313 Y CA 0.657 58.774 58.100 0.028 0.000 1.148 313 Y CB -0.850 37.636 38.460 0.043 0.000 0.981 313 Y HN 0.020 nan 8.280 nan 0.000 0.507 314 L N -0.374 120.942 121.223 0.154 0.000 2.046 314 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 314 L C 2.048 178.954 176.870 0.061 0.000 1.077 314 L CA 1.521 56.414 54.840 0.087 0.000 0.747 314 L CB -0.595 41.494 42.059 0.050 0.000 0.896 314 L HN 0.121 nan 8.230 nan 0.000 0.432 315 D N 0.326 120.751 120.400 0.041 0.000 2.149 315 D HA -0.167 4.472 4.640 -0.002 0.000 0.198 315 D C 2.049 178.369 176.300 0.034 0.000 0.990 315 D CA 1.559 55.574 54.000 0.024 0.000 0.839 315 D CB 0.021 40.823 40.800 0.004 0.000 0.948 315 D HN 0.342 nan 8.370 nan 0.000 0.460 316 A N -0.586 122.268 122.820 0.057 0.000 2.238 316 A HA 0.400 4.719 4.320 -0.002 0.000 0.208 316 A C 1.752 179.370 177.584 0.058 0.000 1.177 316 A CA 1.087 53.157 52.037 0.055 0.000 0.804 316 A CB -0.112 18.931 19.000 0.073 0.000 0.823 316 A HN 0.251 nan 8.150 nan 0.000 0.482 317 G N -0.812 108.026 108.800 0.062 0.000 2.136 317 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.242 317 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.242 317 G C 0.093 175.027 174.900 0.058 0.000 0.989 317 G CA 0.231 45.363 45.100 0.053 0.000 0.682 317 G HN 0.461 nan 8.290 nan 0.000 0.522 318 I N 1.707 122.323 120.570 0.078 0.000 2.529 318 I HA 0.203 4.372 4.170 -0.002 0.000 0.284 318 I C 1.149 177.292 176.117 0.043 0.000 1.082 318 I CA -0.193 61.142 61.300 0.058 0.000 1.406 318 I CB 0.930 38.962 38.000 0.055 0.000 1.405 318 I HN 0.025 nan 8.210 nan 0.000 0.548 319 T N 6.062 120.629 114.554 0.021 0.000 2.867 319 T HA 0.179 4.528 4.350 -0.002 0.000 0.297 319 T C -0.094 174.615 174.700 0.015 0.000 0.989 319 T CA -0.176 61.932 62.100 0.014 0.000 1.159 319 T CB 0.217 69.085 68.868 0.000 0.000 0.928 319 T HN 0.242 nan 8.240 nan 0.000 0.538 320 V N 3.737 123.673 119.914 0.037 0.000 2.407 320 V HA 0.684 4.802 4.120 -0.002 0.000 0.291 320 V C 0.749 176.887 176.094 0.074 0.000 1.018 320 V CA -0.740 61.600 62.300 0.067 0.000 0.842 320 V CB 1.620 33.512 31.823 0.114 0.000 0.996 320 V HN 1.009 nan 8.190 nan 0.000 0.426 321 G N 2.636 111.484 108.800 0.081 0.000 2.795 321 G HA2 0.781 4.740 3.960 -0.002 0.000 0.267 321 G HA3 0.781 4.740 3.960 -0.002 0.000 0.267 321 G C -1.621 173.395 174.900 0.193 0.000 1.362 321 G CA -0.534 44.625 45.100 0.098 0.000 1.048 321 G HN 0.436 nan 8.290 nan 0.000 0.547 322 F N -1.574 118.404 119.950 0.046 0.000 2.601 322 F HA 0.650 5.176 4.527 -0.003 0.000 0.309 322 F C 0.289 176.121 175.800 0.054 0.000 1.089 322 F CA 0.029 58.068 58.000 0.065 0.000 0.940 322 F CB 2.496 41.521 39.000 0.042 0.000 1.273 322 F HN 0.853 nan 8.300 nan 0.000 0.450 323 G N 0.169 109.063 108.800 0.156 0.000 2.687 323 G HA2 0.427 4.385 3.960 -0.002 0.000 0.291 323 G HA3 0.427 4.385 3.960 -0.002 0.000 0.291 323 G C -0.269 174.744 174.900 0.188 0.000 1.420 323 G CA -0.053 45.168 45.100 0.202 0.000 0.796 323 G HN 0.733 nan 8.290 nan 0.000 0.485 324 T N -3.539 111.121 114.554 0.177 0.000 3.015 324 T HA 0.334 4.682 4.350 -0.002 0.000 0.250 324 T C 1.225 176.008 174.700 0.140 0.000 1.057 324 T CA 1.334 63.526 62.100 0.152 0.000 1.066 324 T CB -0.208 68.745 68.868 0.142 0.000 0.959 324 T HN 1.743 nan 8.240 nan 0.000 0.488 325 T N 0.480 115.142 114.554 0.180 0.000 0.541 325 T HA -0.042 4.307 4.350 -0.002 0.000 0.774 325 T C 0.471 175.265 174.700 0.157 0.000 0.992 325 T CA 0.642 62.873 62.100 0.217 0.000 4.077 325 T CB -1.333 67.761 68.868 0.376 0.000 2.303 325 T HN 1.110 nan 8.240 nan 0.000 0.398 326 G N 0.153 109.115 108.800 0.269 0.000 2.572 326 G HA2 0.456 4.414 3.960 -0.002 0.000 0.261 326 G HA3 0.456 4.414 3.960 -0.002 0.000 0.261 326 G C 1.024 176.057 174.900 0.222 0.000 1.197 326 G CA 0.300 45.569 45.100 0.281 0.000 0.870 326 G HN 0.837 nan 8.290 nan 0.000 0.548 327 S N 0.231 116.032 115.700 0.169 0.000 2.607 327 S HA 0.071 4.540 4.470 -0.002 0.000 0.224 327 S C 2.189 176.872 174.600 0.139 0.000 0.969 327 S CA 0.529 58.808 58.200 0.132 0.000 0.927 327 S CB 0.128 63.390 63.200 0.103 0.000 0.772 327 S HN 0.768 nan 8.310 nan 0.000 0.533 328 A N 1.233 124.170 122.820 0.195 0.000 2.218 328 A HA 0.181 4.500 4.320 -0.002 0.000 0.209 328 A C 1.298 179.166 177.584 0.474 0.000 1.168 328 A CA 0.523 52.718 52.037 0.263 0.000 0.804 328 A CB 0.031 19.110 19.000 0.131 0.000 0.834 328 A HN 0.434 nan 8.150 nan 0.000 0.482 329 S N -1.108 114.773 115.700 0.302 0.000 2.526 329 S HA 0.330 4.799 4.470 -0.002 0.000 0.220 329 S C 0.001 174.596 174.600 -0.008 0.000 1.159 329 S CA -0.292 57.922 58.200 0.023 0.000 1.196 329 S CB -0.233 62.716 63.200 -0.419 0.000 1.225 329 S HN 0.414 nan 8.310 nan 0.000 0.432 330 N N 1.372 120.100 118.700 0.046 0.000 2.919 330 N HA 0.081 4.820 4.740 -0.002 0.000 0.263 330 N C -0.812 174.716 175.510 0.031 0.000 0.913 330 N CA 0.310 53.381 53.050 0.036 0.000 1.085 330 N CB 0.365 38.895 38.487 0.071 0.000 1.553 330 N HN 0.277 nan 8.380 nan 0.000 0.932 331 D N 0.792 121.220 120.400 0.046 0.000 2.559 331 D HA 0.378 5.017 4.640 -0.002 0.000 0.234 331 D C 0.160 176.502 176.300 0.069 0.000 1.226 331 D CA -0.015 54.026 54.000 0.068 0.000 0.830 331 D CB 0.674 41.514 40.800 0.066 0.000 1.028 331 D HN 0.322 nan 8.370 nan 0.000 0.492 332 G N -1.283 107.557 108.800 0.067 0.000 2.820 332 G HA2 0.510 4.468 3.960 -0.002 0.000 0.291 332 G HA3 0.510 4.468 3.960 -0.002 0.000 0.291 332 G C 0.605 175.556 174.900 0.084 0.000 1.323 332 G CA -0.776 44.366 45.100 0.070 0.000 1.055 332 G HN 0.033 nan 8.290 nan 0.000 0.520 333 G N -0.681 108.170 108.800 0.085 0.000 3.690 333 G HA2 0.118 4.077 3.960 -0.002 0.000 0.283 333 G HA3 0.118 4.077 3.960 -0.002 0.000 0.283 333 G C 0.281 175.238 174.900 0.096 0.000 1.057 333 G CA -0.306 44.851 45.100 0.096 0.000 0.821 333 G HN 0.457 nan 8.290 nan 0.000 0.526 334 N N 1.356 120.109 118.700 0.088 0.000 2.663 334 N HA 0.117 4.856 4.740 -0.002 0.000 0.250 334 N C 1.357 176.915 175.510 0.080 0.000 1.129 334 N CA -0.578 52.523 53.050 0.085 0.000 0.995 334 N CB 0.835 39.364 38.487 0.071 0.000 1.324 334 N HN 0.052 nan 8.380 nan 0.000 0.512 335 L N 4.185 125.462 121.223 0.090 0.000 2.017 335 L HA -0.055 4.284 4.340 -0.002 0.000 0.208 335 L C 1.811 178.663 176.870 -0.031 0.000 1.073 335 L CA 1.441 56.323 54.840 0.070 0.000 0.745 335 L CB -0.764 41.351 42.059 0.093 0.000 0.894 335 L HN 0.571 nan 8.230 nan 0.000 0.432 336 L N -0.187 121.028 121.223 -0.013 0.000 2.042 336 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 336 L C 2.339 179.144 176.870 -0.109 0.000 1.076 336 L CA 2.191 56.968 54.840 -0.105 0.000 0.749 336 L CB -1.519 40.480 42.059 -0.100 0.000 0.893 336 L HN 0.319 nan 8.230 nan 0.000 0.432 337 G N -1.252 107.526 108.800 -0.037 0.000 2.442 337 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.219 337 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.219 337 G C 1.243 176.128 174.900 -0.025 0.000 1.141 337 G CA 0.905 45.990 45.100 -0.025 0.000 0.763 337 G HN 0.444 nan 8.290 nan 0.000 0.554 338 D N 0.338 120.734 120.400 -0.006 0.000 2.219 338 D HA -0.024 4.615 4.640 -0.002 0.000 0.205 338 D C 2.614 178.904 176.300 -0.017 0.000 0.970 338 D CA 0.204 54.233 54.000 0.048 0.000 0.851 338 D CB -0.168 40.736 40.800 0.174 0.000 0.943 338 D HN 0.310 nan 8.370 nan 0.000 0.488 339 L N 0.267 121.353 121.223 -0.228 0.000 2.079 339 L HA -0.147 4.191 4.340 -0.002 0.000 0.210 339 L C 2.565 179.376 176.870 -0.098 0.000 1.081 339 L CA 0.983 55.629 54.840 -0.324 0.000 0.752 339 L CB -0.353 41.468 42.059 -0.397 0.000 0.896 339 L HN -0.000 nan 8.230 nan 0.000 0.433 340 R N 0.787 121.245 120.500 -0.071 0.000 2.081 340 R HA -0.163 4.175 4.340 -0.002 0.000 0.235 340 R C 2.342 178.647 176.300 0.009 0.000 1.131 340 R CA 1.274 57.357 56.100 -0.029 0.000 0.960 340 R CB -0.212 30.067 30.300 -0.036 0.000 0.856 340 R HN 0.300 nan 8.270 nan 0.000 0.436 341 L N 0.250 121.487 121.223 0.024 0.000 2.042 341 L HA -0.179 4.160 4.340 -0.002 0.000 0.210 341 L C 2.741 179.661 176.870 0.084 0.000 1.076 341 L CA 1.524 56.387 54.840 0.038 0.000 0.749 341 L CB -0.624 41.461 42.059 0.044 0.000 0.893 341 L HN 0.342 nan 8.230 nan 0.000 0.432 342 A N -0.122 122.803 122.820 0.176 0.000 1.930 342 A HA -0.088 4.231 4.320 -0.002 0.000 0.217 342 A C 2.549 180.319 177.584 0.311 0.000 1.175 342 A CA 1.478 53.729 52.037 0.356 0.000 0.627 342 A CB -0.662 18.684 19.000 0.576 0.000 0.815 342 A HN 0.388 nan 8.150 nan 0.000 0.443 343 A N -0.371 122.544 122.820 0.160 0.000 1.940 343 A HA -0.047 4.271 4.320 -0.002 0.000 0.219 343 A C 2.146 179.756 177.584 0.044 0.000 1.176 343 A CA 1.645 53.744 52.037 0.103 0.000 0.631 343 A CB -0.460 18.570 19.000 0.050 0.000 0.814 343 A HN 0.481 nan 8.150 nan 0.000 0.446 344 L N -1.715 119.514 121.223 0.010 0.000 2.221 344 L HA 0.065 4.404 4.340 -0.002 0.000 0.202 344 L C 2.958 179.764 176.870 -0.107 0.000 1.074 344 L CA 0.760 55.557 54.840 -0.072 0.000 0.795 344 L CB -0.464 41.560 42.059 -0.058 0.000 0.960 344 L HN 0.355 nan 8.230 nan 0.000 0.458 345 A N -0.974 121.810 122.820 -0.059 0.000 2.015 345 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 345 A C 2.009 179.494 177.584 -0.165 0.000 1.163 345 A CA 1.095 53.063 52.037 -0.116 0.000 0.646 345 A CB -0.716 18.215 19.000 -0.116 0.000 0.806 345 A HN 0.411 nan 8.150 nan 0.000 0.448 346 H N -0.340 118.688 119.070 -0.069 0.000 2.495 346 H HA 0.014 4.568 4.556 -0.003 0.000 0.287 346 H C 2.123 177.316 175.328 -0.224 0.000 1.033 346 H CA 1.174 57.178 56.048 -0.073 0.000 1.307 346 H CB 0.061 29.826 29.762 0.005 0.000 1.401 346 H HN 0.545 nan 8.280 nan 0.000 0.555 347 R N 0.164 120.438 120.500 -0.378 0.000 2.075 347 R HA -0.079 4.260 4.340 -0.002 0.000 0.232 347 R C -0.608 175.396 176.300 -0.493 0.000 1.126 347 R CA 1.025 56.527 56.100 -0.997 0.000 0.963 347 R CB -1.099 28.294 30.300 -1.512 0.000 0.858 347 R HN 0.301 nan 8.270 nan 0.000 0.435 348 P HA -0.048 nan 4.420 nan 0.000 0.225 348 P C 0.597 177.891 177.300 -0.009 0.000 1.148 348 P CA 1.149 64.188 63.100 -0.101 0.000 0.779 348 P CB 0.080 31.726 31.700 -0.090 0.000 0.780 349 A N -0.776 122.045 122.820 0.002 0.000 2.067 349 A HA -0.094 4.225 4.320 -0.002 0.000 0.219 349 A C 0.980 178.631 177.584 0.113 0.000 1.158 349 A CA 1.308 53.377 52.037 0.053 0.000 0.661 349 A CB -0.446 18.591 19.000 0.062 0.000 0.801 349 A HN 0.073 nan 8.150 nan 0.000 0.452 350 D N -1.343 119.183 120.400 0.208 0.000 2.656 350 D HA 0.200 4.838 4.640 -0.002 0.000 0.303 350 D C -2.241 174.315 176.300 0.426 0.000 1.199 350 D CA -1.023 53.152 54.000 0.292 0.000 0.797 350 D CB 0.893 41.898 40.800 0.341 0.000 1.170 350 D HN 0.114 nan 8.370 nan 0.000 0.509 351 P HA -0.085 nan 4.420 nan 0.000 0.219 351 P C 0.794 178.257 177.300 0.271 0.000 1.146 351 P CA 1.095 64.371 63.100 0.295 0.000 0.808 351 P CB 0.478 32.268 31.700 0.151 0.000 0.779 352 N N -1.134 117.654 118.700 0.148 0.000 2.203 352 N HA 0.053 4.792 4.740 -0.002 0.000 0.207 352 N C -0.146 175.339 175.510 -0.041 0.000 1.130 352 N CA 0.188 53.267 53.050 0.049 0.000 0.861 352 N CB 0.214 38.720 38.487 0.031 0.000 1.005 352 N HN 0.190 nan 8.380 nan 0.000 0.507 353 E N 0.479 120.638 120.200 -0.069 0.000 3.374 353 E HA 0.144 4.493 4.350 -0.002 0.000 0.223 353 E C -1.962 174.315 176.600 -0.538 0.000 1.210 353 E CA -1.427 54.854 56.400 -0.199 0.000 0.987 353 E CB 1.325 30.976 29.700 -0.082 0.000 1.322 353 E HN 0.135 nan 8.360 nan 0.000 0.404 354 P HA -0.215 nan 4.420 nan 0.000 0.225 354 P C 1.182 177.921 177.300 -0.935 0.000 1.148 354 P CA 1.028 62.992 63.100 -1.893 0.000 0.779 354 P CB 0.311 31.090 31.700 -1.535 0.000 0.780 355 E N 1.481 121.391 120.200 -0.484 0.000 2.338 355 E HA -0.170 4.178 4.350 -0.002 0.000 0.197 355 E C 1.366 177.879 176.600 -0.146 0.000 1.007 355 E CA 1.058 57.313 56.400 -0.240 0.000 0.849 355 E CB -0.567 29.038 29.700 -0.159 0.000 0.774 355 E HN 0.294 nan 8.360 nan 0.000 0.506 356 K N -0.152 120.154 120.400 -0.156 0.000 2.305 356 K HA 0.021 4.340 4.320 -0.002 0.000 0.199 356 K C 0.277 176.979 176.600 0.171 0.000 1.047 356 K CA 0.064 56.358 56.287 0.012 0.000 0.976 356 K CB -0.000 32.533 32.500 0.055 0.000 0.765 356 K HN 0.062 nan 8.250 nan 0.000 0.474 357 W N 2.337 123.637 121.300 -0.000 0.000 2.170 357 W HA 0.065 4.723 4.660 -0.002 0.000 0.342 357 W C 0.433 176.947 176.519 -0.008 0.000 1.294 357 W CA -0.992 56.359 57.345 0.011 0.000 1.246 357 W CB -0.304 29.175 29.460 0.032 0.000 1.156 357 W HN -0.051 nan 8.180 nan 0.000 0.572 358 L N 3.692 125.031 121.223 0.193 0.000 2.410 358 L HA 0.094 4.433 4.340 -0.002 0.000 0.273 358 L C 1.125 178.075 176.870 0.133 0.000 1.152 358 L CA -0.203 54.696 54.840 0.098 0.000 0.855 358 L CB 0.026 42.099 42.059 0.023 0.000 1.129 358 L HN 0.446 nan 8.230 nan 0.000 0.463 359 S N 2.168 117.930 115.700 0.104 0.000 2.652 359 S HA 0.435 4.904 4.470 -0.002 0.000 0.270 359 S C 1.101 175.746 174.600 0.075 0.000 1.243 359 S CA -0.213 58.045 58.200 0.097 0.000 0.999 359 S CB 1.748 64.996 63.200 0.080 0.000 0.973 359 S HN 0.677 nan 8.310 nan 0.000 0.544 360 A N 1.672 124.530 122.820 0.064 0.000 1.908 360 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 360 A C 2.368 179.988 177.584 0.060 0.000 1.181 360 A CA 1.516 53.576 52.037 0.039 0.000 0.627 360 A CB -0.808 18.207 19.000 0.025 0.000 0.818 360 A HN 0.914 nan 8.150 nan 0.000 0.445 361 R N -0.581 119.975 120.500 0.093 0.000 2.092 361 R HA -0.100 4.239 4.340 -0.002 0.000 0.231 361 R C 2.147 178.540 176.300 0.155 0.000 1.119 361 R CA 1.465 57.667 56.100 0.171 0.000 0.970 361 R CB -0.274 30.124 30.300 0.163 0.000 0.864 361 R HN 0.692 nan 8.270 nan 0.000 0.440 362 E N 0.569 120.824 120.200 0.091 0.000 2.077 362 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 362 E C 1.993 178.604 176.600 0.018 0.000 0.989 362 E CA 1.054 57.486 56.400 0.053 0.000 0.800 362 E CB -0.051 29.682 29.700 0.056 0.000 0.746 362 E HN 0.277 nan 8.360 nan 0.000 0.452 363 L N 0.467 121.704 121.223 0.022 0.000 2.056 363 L HA -0.183 4.156 4.340 -0.002 0.000 0.207 363 L C 2.415 179.215 176.870 -0.117 0.000 1.078 363 L CA 0.832 55.658 54.840 -0.024 0.000 0.749 363 L CB -0.304 41.725 42.059 -0.050 0.000 0.901 363 L HN 0.152 nan 8.230 nan 0.000 0.433 364 L N -0.637 120.541 121.223 -0.075 0.000 2.083 364 L HA -0.218 4.121 4.340 -0.002 0.000 0.209 364 L C 2.840 179.479 176.870 -0.384 0.000 1.083 364 L CA 1.111 55.903 54.840 -0.080 0.000 0.752 364 L CB -0.537 41.634 42.059 0.187 0.000 0.899 364 L HN 0.255 nan 8.230 nan 0.000 0.433 365 R N 0.332 120.474 120.500 -0.596 0.000 2.081 365 R HA -0.164 4.175 4.340 -0.002 0.000 0.235 365 R C 2.326 178.374 176.300 -0.421 0.000 1.131 365 R CA 1.528 57.050 56.100 -0.962 0.000 0.960 365 R CB -0.181 29.770 30.300 -0.583 0.000 0.856 365 R HN 0.301 nan 8.270 nan 0.000 0.436 366 M N -0.060 119.438 119.600 -0.171 0.000 2.108 366 M HA -0.153 4.325 4.480 -0.002 0.000 0.261 366 M C 2.236 178.544 176.300 0.014 0.000 1.066 366 M CA 2.007 57.311 55.300 0.006 0.000 1.107 366 M CB -0.190 32.544 32.600 0.224 0.000 1.356 366 M HN 0.243 nan 8.290 nan 0.000 0.406 367 A N -0.469 122.313 122.820 -0.063 0.000 2.235 367 A HA -0.019 4.300 4.320 -0.002 0.000 0.208 367 A C 1.831 179.387 177.584 -0.047 0.000 1.172 367 A CA 1.467 53.483 52.037 -0.035 0.000 0.786 367 A CB -0.659 18.262 19.000 -0.131 0.000 0.804 367 A HN 0.608 nan 8.150 nan 0.000 0.479 368 T N -3.699 110.777 114.554 -0.129 0.000 3.409 368 T HA 0.149 4.498 4.350 -0.002 0.000 0.188 368 T C 1.762 176.394 174.700 -0.112 0.000 0.929 368 T CA 0.423 62.466 62.100 -0.095 0.000 1.184 368 T CB -0.193 68.632 68.868 -0.072 0.000 1.570 368 T HN 0.157 nan 8.240 nan 0.000 0.367 369 R N 1.289 121.680 120.500 -0.181 0.000 2.096 369 R HA 0.059 4.398 4.340 -0.002 0.000 0.235 369 R C 2.587 178.823 176.300 -0.107 0.000 1.127 369 R CA 1.755 57.788 56.100 -0.113 0.000 0.968 369 R CB -1.046 29.194 30.300 -0.100 0.000 0.861 369 R HN 0.586 nan 8.270 nan 0.000 0.440 370 G N -0.596 108.131 108.800 -0.121 0.000 2.421 370 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.216 370 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.216 370 G C 1.444 176.295 174.900 -0.082 0.000 1.171 370 G CA 0.901 45.958 45.100 -0.072 0.000 0.775 370 G HN 0.329 nan 8.290 nan 0.000 0.543 371 S N 0.851 116.503 115.700 -0.080 0.000 2.382 371 S HA -0.002 4.467 4.470 -0.002 0.000 0.228 371 S C 2.784 177.249 174.600 -0.225 0.000 1.027 371 S CA 1.195 59.316 58.200 -0.132 0.000 0.991 371 S CB -0.362 62.793 63.200 -0.075 0.000 0.823 371 S HN 0.596 nan 8.310 nan 0.000 0.469 372 A N 1.466 124.185 122.820 -0.167 0.000 1.908 372 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 372 A C 1.968 179.434 177.584 -0.197 0.000 1.181 372 A CA 1.696 53.627 52.037 -0.176 0.000 0.627 372 A CB -0.581 18.361 19.000 -0.095 0.000 0.818 372 A HN 0.565 nan 8.150 nan 0.000 0.445 373 E N -0.957 119.151 120.200 -0.153 0.000 2.106 373 E HA -0.165 4.183 4.350 -0.002 0.000 0.192 373 E C 2.029 178.513 176.600 -0.193 0.000 0.984 373 E CA 1.179 57.500 56.400 -0.132 0.000 0.806 373 E CB -0.400 29.254 29.700 -0.077 0.000 0.750 373 E HN 0.674 nan 8.360 nan 0.000 0.458 374 C N 0.634 119.775 119.300 -0.265 0.000 2.413 374 C HA -0.126 4.333 4.460 -0.002 0.000 0.276 374 C C 2.289 176.797 174.990 -0.804 0.000 1.248 374 C CA 0.619 59.383 59.018 -0.424 0.000 1.742 374 C CB -0.759 26.671 27.740 -0.517 0.000 2.017 374 C HN 0.405 nan 8.230 nan 0.000 0.481 375 L N 0.337 121.073 121.223 -0.813 0.000 2.591 375 L HA 0.177 4.515 4.340 -0.002 0.000 0.228 375 L C 1.665 178.303 176.870 -0.386 0.000 1.133 375 L CA 0.887 55.194 54.840 -0.888 0.000 0.880 375 L CB -0.840 40.672 42.059 -0.913 0.000 1.033 375 L HN 0.549 nan 8.230 nan 0.000 0.450 376 G N 1.459 110.104 108.800 -0.258 0.000 2.256 376 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.272 376 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.272 376 G C 0.002 174.857 174.900 -0.075 0.000 1.076 376 G CA -0.230 44.802 45.100 -0.113 0.000 0.882 376 G HN 0.244 nan 8.290 nan 0.000 0.497 377 R N -0.119 120.320 120.500 -0.101 0.000 2.477 377 R HA 0.283 4.622 4.340 -0.002 0.000 0.285 377 R C -1.671 174.596 176.300 -0.054 0.000 1.415 377 R CA -1.840 54.222 56.100 -0.065 0.000 1.446 377 R CB 1.452 31.709 30.300 -0.071 0.000 1.110 377 R HN 0.253 nan 8.270 nan 0.000 0.590 378 P HA -0.092 nan 4.420 nan 0.000 0.234 378 P C 0.242 177.530 177.300 -0.021 0.000 1.167 378 P CA 0.800 63.880 63.100 -0.034 0.000 0.763 378 P CB 0.378 32.055 31.700 -0.039 0.000 0.835 379 D N -0.891 119.489 120.400 -0.033 0.000 2.340 379 D HA 0.018 4.657 4.640 -0.002 0.000 0.220 379 D C 0.794 177.153 176.300 0.098 0.000 1.039 379 D CA 0.247 54.253 54.000 0.010 0.000 0.866 379 D CB -0.216 40.509 40.800 -0.126 0.000 0.913 379 D HN 0.225 nan 8.370 nan 0.000 0.523 380 L N -1.911 119.343 121.223 0.052 0.000 2.256 380 L HA 0.600 4.938 4.340 -0.002 0.000 0.261 380 L C 1.365 178.261 176.870 0.042 0.000 1.022 380 L CA -0.786 54.088 54.840 0.057 0.000 0.828 380 L CB 1.828 43.901 42.059 0.024 0.000 1.374 380 L HN 0.058 nan 8.230 nan 0.000 0.436 381 G N 0.384 109.215 108.800 0.051 0.000 2.179 381 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.260 381 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.260 381 G C -0.336 174.632 174.900 0.112 0.000 0.977 381 G CA 0.123 45.255 45.100 0.054 0.000 0.641 381 G HN 0.343 nan 8.290 nan 0.000 0.533 382 V N 0.842 120.826 119.914 0.118 0.000 2.733 382 V HA 0.499 4.617 4.120 -0.002 0.000 0.306 382 V C 0.254 176.413 176.094 0.108 0.000 1.084 382 V CA -0.861 61.523 62.300 0.140 0.000 0.905 382 V CB 2.002 33.891 31.823 0.110 0.000 1.010 382 V HN 0.250 nan 8.190 nan 0.000 0.424 383 L N 5.568 126.849 121.223 0.097 0.000 2.328 383 L HA 0.581 4.920 4.340 -0.002 0.000 0.280 383 L C 0.220 177.117 176.870 0.044 0.000 1.111 383 L CA 0.222 55.098 54.840 0.060 0.000 0.909 383 L CB -0.030 42.054 42.059 0.042 0.000 1.277 383 L HN 0.900 nan 8.230 nan 0.000 0.433 384 E N 1.515 121.744 120.200 0.049 0.000 2.407 384 E HA 0.248 4.597 4.350 -0.002 0.000 0.279 384 E C -1.108 175.518 176.600 0.043 0.000 1.012 384 E CA -1.034 55.390 56.400 0.040 0.000 0.800 384 E CB 1.243 30.969 29.700 0.043 0.000 1.276 384 E HN 0.304 nan 8.360 nan 0.000 0.452 385 E N 0.401 120.621 120.200 0.034 0.000 2.608 385 E HA 0.113 4.462 4.350 -0.002 0.000 0.259 385 E C 0.706 177.341 176.600 0.058 0.000 0.951 385 E CA 1.755 58.176 56.400 0.036 0.000 0.945 385 E CB -0.093 29.623 29.700 0.028 0.000 0.916 385 E HN 0.886 nan 8.360 nan 0.000 0.477 386 G N 4.294 113.138 108.800 0.074 0.000 2.234 386 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.235 386 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.235 386 G C 0.263 175.297 174.900 0.223 0.000 0.997 386 G CA 0.138 45.317 45.100 0.132 0.000 0.623 386 G HN 0.528 nan 8.290 nan 0.000 0.514 387 R N 0.872 121.473 120.500 0.168 0.000 2.546 387 R HA 0.723 5.062 4.340 -0.002 0.000 0.266 387 R C 0.824 177.255 176.300 0.218 0.000 1.086 387 R CA 0.102 56.336 56.100 0.223 0.000 1.160 387 R CB 0.084 30.464 30.300 0.133 0.000 1.138 387 R HN 0.749 nan 8.270 nan 0.000 0.567 388 A N 0.678 123.672 122.820 0.290 0.000 2.498 388 A HA 0.330 4.648 4.320 -0.002 0.000 0.239 388 A C 0.390 177.976 177.584 0.004 0.000 1.068 388 A CA 0.260 52.359 52.037 0.103 0.000 0.766 388 A CB 0.067 19.203 19.000 0.226 0.000 1.003 388 A HN 0.726 nan 8.150 nan 0.000 0.497 389 A N 3.043 125.812 122.820 -0.086 0.000 3.048 389 A HA 0.423 4.741 4.320 -0.002 0.000 0.264 389 A C -0.627 176.942 177.584 -0.024 0.000 1.796 389 A CA -0.231 51.773 52.037 -0.055 0.000 1.445 389 A CB -0.743 18.204 19.000 -0.088 0.000 1.074 389 A HN 0.625 nan 8.150 nan 0.000 0.621 390 D N 1.071 121.477 120.400 0.010 0.000 2.414 390 D HA 0.607 5.245 4.640 -0.002 0.000 0.232 390 D C -0.494 175.822 176.300 0.027 0.000 1.070 390 D CA 0.311 54.324 54.000 0.021 0.000 0.839 390 D CB 1.087 41.914 40.800 0.044 0.000 1.079 390 D HN 0.395 nan 8.370 nan 0.000 0.521 391 I N 1.113 121.686 120.570 0.006 0.000 2.619 391 I HA 0.669 4.837 4.170 -0.002 0.000 0.292 391 I C -0.649 175.446 176.117 -0.036 0.000 1.100 391 I CA -1.058 60.246 61.300 0.007 0.000 1.043 391 I CB 2.217 40.213 38.000 -0.007 0.000 1.239 391 I HN 0.282 nan 8.210 nan 0.000 0.420 392 A N 4.811 127.614 122.820 -0.028 0.000 2.356 392 A HA 0.838 5.156 4.320 -0.002 0.000 0.310 392 A C -1.128 176.326 177.584 -0.218 0.000 1.075 392 A CA -0.407 51.502 52.037 -0.214 0.000 0.746 392 A CB 1.279 20.145 19.000 -0.224 0.000 1.221 392 A HN 0.775 nan 8.150 nan 0.000 0.443 393 C N 1.964 121.016 119.300 -0.412 0.000 2.563 393 C HA 0.752 5.211 4.460 -0.002 0.000 0.314 393 C C -0.630 174.161 174.990 -0.332 0.000 1.199 393 C CA -0.861 58.055 59.018 -0.170 0.000 1.564 393 C CB 0.651 28.342 27.740 -0.082 0.000 2.173 393 C HN 0.815 nan 8.230 nan 0.000 0.485 394 W N 1.538 122.840 121.300 0.004 0.000 2.736 394 W HA 0.489 5.148 4.660 -0.002 0.000 0.335 394 W C -0.042 176.477 176.519 -0.001 0.000 1.059 394 W CA -0.702 56.644 57.345 0.003 0.000 1.226 394 W CB 1.212 30.675 29.460 0.005 0.000 1.416 394 W HN 0.543 nan 8.180 nan 0.000 0.505 395 R N 2.199 122.815 120.500 0.193 0.000 2.490 395 R HA 0.225 4.563 4.340 -0.002 0.000 0.280 395 R C 0.731 177.101 176.300 0.117 0.000 1.077 395 R CA -0.165 56.004 56.100 0.115 0.000 1.065 395 R CB 1.022 31.363 30.300 0.068 0.000 1.003 395 R HN 0.476 nan 8.270 nan 0.000 0.470 396 L N 1.532 122.800 121.223 0.074 0.000 2.693 396 L HA 0.050 4.388 4.340 -0.002 0.000 0.235 396 L C 0.553 177.438 176.870 0.026 0.000 1.127 396 L CA 0.190 55.059 54.840 0.048 0.000 0.914 396 L CB 0.087 42.167 42.059 0.035 0.000 1.193 396 L HN 0.630 nan 8.230 nan 0.000 0.502 397 D N -0.566 119.851 120.400 0.027 0.000 2.427 397 D HA 0.106 4.745 4.640 -0.002 0.000 0.224 397 D C 0.840 177.149 176.300 0.014 0.000 1.157 397 D CA -0.161 53.848 54.000 0.014 0.000 0.828 397 D CB 0.001 40.808 40.800 0.011 0.000 0.974 397 D HN 0.018 nan 8.370 nan 0.000 0.498 398 G N -0.224 108.589 108.800 0.021 0.000 2.507 398 G HA2 0.249 4.208 3.960 -0.002 0.000 0.271 398 G HA3 0.249 4.208 3.960 -0.002 0.000 0.271 398 G C 0.887 175.794 174.900 0.012 0.000 1.189 398 G CA -0.563 44.549 45.100 0.020 0.000 0.859 398 G HN 0.081 nan 8.290 nan 0.000 0.542 399 V N 0.540 120.460 119.914 0.010 0.000 2.594 399 V HA -0.107 4.012 4.120 -0.002 0.000 0.253 399 V C 2.239 178.337 176.094 0.006 0.000 1.069 399 V CA 2.531 64.834 62.300 0.006 0.000 1.082 399 V CB -0.438 31.389 31.823 0.007 0.000 0.680 399 V HN 0.842 nan 8.190 nan 0.000 0.469 400 D N -0.550 119.856 120.400 0.010 0.000 2.363 400 D HA -0.111 4.527 4.640 -0.002 0.000 0.226 400 D C 1.665 177.968 176.300 0.006 0.000 1.020 400 D CA 0.554 54.560 54.000 0.010 0.000 0.892 400 D CB -0.314 40.495 40.800 0.014 0.000 0.900 400 D HN 0.497 nan 8.370 nan 0.000 0.531 401 R N 0.136 120.639 120.500 0.004 0.000 2.596 401 R HA 0.245 4.584 4.340 -0.002 0.000 0.369 401 R C -0.204 176.087 176.300 -0.016 0.000 1.042 401 R CA -0.343 55.755 56.100 -0.003 0.000 1.120 401 R CB 1.462 31.763 30.300 0.002 0.000 1.353 401 R HN -0.010 nan 8.270 nan 0.000 0.564 402 V N 0.893 120.798 119.914 -0.015 0.000 2.655 402 V HA 0.146 4.265 4.120 -0.002 0.000 0.300 402 V C 1.439 177.509 176.094 -0.040 0.000 1.044 402 V CA 1.562 63.844 62.300 -0.029 0.000 1.095 402 V CB 1.100 32.912 31.823 -0.017 0.000 0.952 402 V HN 0.773 nan 8.190 nan 0.000 0.485 403 G N 3.533 112.283 108.800 -0.084 0.000 2.175 403 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.244 403 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.244 403 G C 0.083 174.886 174.900 -0.161 0.000 0.982 403 G CA -0.029 45.006 45.100 -0.109 0.000 0.641 403 G HN 0.756 nan 8.290 nan 0.000 0.527 404 V N 2.230 122.066 119.914 -0.129 0.000 2.521 404 V HA 0.275 4.393 4.120 -0.002 0.000 0.286 404 V C 1.554 177.546 176.094 -0.170 0.000 1.034 404 V CA 0.056 62.313 62.300 -0.072 0.000 1.045 404 V CB 1.071 32.874 31.823 -0.033 0.000 0.974 404 V HN 0.400 nan 8.190 nan 0.000 0.480 405 H N 1.962 121.033 119.070 0.003 0.000 2.486 405 H HA 0.137 4.692 4.556 -0.002 0.000 0.287 405 H C 0.263 175.592 175.328 0.000 0.000 1.010 405 H CA 0.352 56.401 56.048 0.002 0.000 1.324 405 H CB 0.841 30.605 29.762 0.004 0.000 1.446 405 H HN 0.580 nan 8.280 nan 0.000 0.537 406 D N 0.461 120.924 120.400 0.106 0.000 2.471 406 D HA 0.136 4.775 4.640 -0.002 0.000 0.245 406 D C -2.071 174.243 176.300 0.022 0.000 1.116 406 D CA -2.165 51.867 54.000 0.053 0.000 0.853 406 D CB 2.293 43.123 40.800 0.050 0.000 1.123 406 D HN -0.055 nan 8.370 nan 0.000 0.540 407 P HA -0.032 nan 4.420 nan 0.000 0.218 407 P C 1.007 178.294 177.300 -0.021 0.000 1.149 407 P CA 0.908 64.004 63.100 -0.006 0.000 0.817 407 P CB 0.345 32.045 31.700 -0.001 0.000 0.785 408 A N -0.457 122.352 122.820 -0.018 0.000 1.873 408 A HA -0.136 4.182 4.320 -0.002 0.000 0.215 408 A C 2.199 179.766 177.584 -0.028 0.000 1.186 408 A CA 1.268 53.289 52.037 -0.028 0.000 0.616 408 A CB -1.522 17.468 19.000 -0.016 0.000 0.823 408 A HN 0.099 nan 8.150 nan 0.000 0.442 409 I N -0.143 120.423 120.570 -0.006 0.000 2.226 409 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 409 I C 2.667 178.773 176.117 -0.018 0.000 1.100 409 I CA 1.081 62.380 61.300 -0.000 0.000 1.374 409 I CB -0.618 37.396 38.000 0.024 0.000 1.057 409 I HN 0.396 nan 8.210 nan 0.000 0.413 410 G N 0.915 109.704 108.800 -0.018 0.000 2.450 410 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.220 410 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.220 410 G C 1.735 176.593 174.900 -0.070 0.000 1.130 410 G CA 0.378 45.461 45.100 -0.028 0.000 0.760 410 G HN 0.280 nan 8.290 nan 0.000 0.557 411 L N 0.184 121.339 121.223 -0.113 0.000 2.131 411 L HA -0.058 4.280 4.340 -0.002 0.000 0.210 411 L C 2.495 179.241 176.870 -0.206 0.000 1.092 411 L CA 0.643 55.352 54.840 -0.218 0.000 0.759 411 L CB -0.145 41.725 42.059 -0.315 0.000 0.903 411 L HN 0.190 nan 8.230 nan 0.000 0.435 412 I N -1.358 119.131 120.570 -0.136 0.000 2.867 412 I HA -0.101 4.068 4.170 -0.002 0.000 0.265 412 I C 1.927 178.005 176.117 -0.066 0.000 1.162 412 I CA 0.969 62.205 61.300 -0.108 0.000 1.471 412 I CB -0.344 37.611 38.000 -0.076 0.000 1.123 412 I HN 0.273 nan 8.210 nan 0.000 0.440 413 M N 0.193 119.766 119.600 -0.045 0.000 2.337 413 M HA 0.154 4.632 4.480 -0.002 0.000 0.256 413 M C 0.731 177.021 176.300 -0.016 0.000 1.075 413 M CA 0.342 55.630 55.300 -0.020 0.000 1.024 413 M CB -0.245 32.356 32.600 0.001 0.000 1.429 413 M HN 0.262 nan 8.290 nan 0.000 0.497 414 T N -1.992 112.546 114.554 -0.027 0.000 2.865 414 T HA 0.820 5.169 4.350 -0.002 0.000 0.294 414 T C 0.093 174.780 174.700 -0.022 0.000 1.119 414 T CA -0.196 61.894 62.100 -0.016 0.000 1.007 414 T CB 2.700 71.562 68.868 -0.009 0.000 1.225 414 T HN 0.410 nan 8.240 nan 0.000 0.515 415 G N -0.306 108.489 108.800 -0.008 0.000 2.576 415 G HA2 0.067 4.026 3.960 -0.002 0.000 0.686 415 G HA3 0.067 4.026 3.960 -0.002 0.000 0.686 415 G C -0.131 174.774 174.900 0.007 0.000 1.242 415 G CA -0.396 44.705 45.100 0.001 0.000 0.819 415 G HN 0.976 nan 8.290 nan 0.000 0.655 416 L N 0.129 121.363 121.223 0.018 0.000 2.529 416 L HA 0.426 4.765 4.340 -0.002 0.000 0.223 416 L C 1.370 178.259 176.870 0.031 0.000 1.113 416 L CA 1.147 56.000 54.840 0.021 0.000 0.861 416 L CB 0.439 42.511 42.059 0.021 0.000 1.012 416 L HN 0.638 nan 8.230 nan 0.000 0.461 417 S N -1.147 114.579 115.700 0.043 0.000 2.546 417 S HA 0.273 4.741 4.470 -0.002 0.000 0.272 417 S C -0.536 174.123 174.600 0.099 0.000 1.140 417 S CA -0.698 57.542 58.200 0.067 0.000 0.920 417 S CB 1.406 64.650 63.200 0.073 0.000 1.083 417 S HN 0.052 nan 8.310 nan 0.000 0.476 418 D N 2.422 122.894 120.400 0.120 0.000 2.340 418 D HA 0.140 4.779 4.640 -0.002 0.000 0.217 418 D C 0.113 176.643 176.300 0.383 0.000 1.081 418 D CA 0.009 54.125 54.000 0.193 0.000 0.842 418 D CB 0.259 41.128 40.800 0.116 0.000 0.934 418 D HN 0.439 nan 8.370 nan 0.000 0.511 419 R N 1.094 121.744 120.500 0.251 0.000 2.484 419 R HA 0.319 4.658 4.340 -0.002 0.000 0.293 419 R C 0.410 176.770 176.300 0.099 0.000 1.023 419 R CA -0.067 56.132 56.100 0.164 0.000 1.037 419 R CB 0.647 30.994 30.300 0.078 0.000 0.951 419 R HN -0.037 nan 8.270 nan 0.000 0.418 420 A N 2.232 124.941 122.820 -0.184 0.000 2.407 420 A HA 0.077 4.396 4.320 -0.002 0.000 0.248 420 A C 1.182 178.522 177.584 -0.405 0.000 1.082 420 A CA -0.167 51.394 52.037 -0.793 0.000 0.785 420 A CB 1.204 19.620 19.000 -0.974 0.000 1.020 420 A HN 0.777 nan 8.150 nan 0.000 0.489 421 S N 0.417 115.879 115.700 -0.397 0.000 2.371 421 S HA 0.113 4.582 4.470 -0.002 0.000 0.219 421 S C 0.430 174.918 174.600 -0.186 0.000 1.040 421 S CA 0.967 59.050 58.200 -0.194 0.000 0.958 421 S CB -0.334 62.797 63.200 -0.115 0.000 0.860 421 S HN 0.907 nan 8.310 nan 0.000 0.487 422 L N 2.089 123.172 121.223 -0.233 0.000 2.381 422 L HA 0.721 5.059 4.340 -0.002 0.000 0.274 422 L C -1.695 175.047 176.870 -0.213 0.000 0.988 422 L CA -0.464 54.272 54.840 -0.173 0.000 0.824 422 L CB 2.065 44.052 42.059 -0.119 0.000 1.263 422 L HN 0.026 nan 8.230 nan 0.000 0.410 423 V N 5.479 125.296 119.914 -0.161 0.000 2.577 423 V HA 0.629 4.747 4.120 -0.002 0.000 0.303 423 V C -0.776 175.266 176.094 -0.087 0.000 1.042 423 V CA -0.656 61.557 62.300 -0.145 0.000 0.872 423 V CB 2.046 33.782 31.823 -0.146 0.000 0.998 423 V HN 0.514 nan 8.190 nan 0.000 0.423 424 V N 5.188 125.061 119.914 -0.068 0.000 2.540 424 V HA 0.636 4.755 4.120 -0.002 0.000 0.302 424 V C -0.470 175.606 176.094 -0.030 0.000 1.035 424 V CA -0.625 61.647 62.300 -0.046 0.000 0.873 424 V CB 2.055 33.852 31.823 -0.043 0.000 0.992 424 V HN 0.600 nan 8.190 nan 0.000 0.428 425 V N 3.952 123.853 119.914 -0.022 0.000 2.531 425 V HA 0.501 4.620 4.120 -0.002 0.000 0.301 425 V C 0.517 176.605 176.094 -0.011 0.000 1.034 425 V CA -0.676 61.621 62.300 -0.005 0.000 0.865 425 V CB 1.427 33.256 31.823 0.009 0.000 0.995 425 V HN 0.998 nan 8.190 nan 0.000 0.424 426 N N 3.540 122.233 118.700 -0.012 0.000 2.725 426 N HA -0.207 4.531 4.740 -0.002 0.000 0.249 426 N C 1.052 176.523 175.510 -0.066 0.000 1.103 426 N CA 1.899 54.927 53.050 -0.036 0.000 0.707 426 N CB -1.032 37.452 38.487 -0.004 0.000 1.043 426 N HN 1.790 nan 8.380 nan 0.000 0.553 427 G N -1.412 107.348 108.800 -0.067 0.000 2.184 427 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.264 427 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.264 427 G C -0.170 174.701 174.900 -0.050 0.000 0.975 427 G CA 0.646 45.705 45.100 -0.069 0.000 0.642 427 G HN 0.793 nan 8.290 nan 0.000 0.536 428 Q N 0.430 120.207 119.800 -0.039 0.000 2.290 428 Q HA 0.559 4.897 4.340 -0.002 0.000 0.259 428 Q C 0.192 176.172 176.000 -0.033 0.000 0.941 428 Q CA -0.729 55.055 55.803 -0.032 0.000 0.912 428 Q CB 1.490 30.213 28.738 -0.025 0.000 1.244 428 Q HN 0.180 nan 8.270 nan 0.000 0.441 429 V N 6.850 126.743 119.914 -0.035 0.000 2.446 429 V HA -0.017 4.102 4.120 -0.002 0.000 0.276 429 V C 0.876 176.948 176.094 -0.037 0.000 1.030 429 V CA 0.605 62.881 62.300 -0.039 0.000 1.033 429 V CB 0.468 32.268 31.823 -0.038 0.000 0.993 429 V HN 0.887 nan 8.190 nan 0.000 0.477 430 L N 4.974 126.172 121.223 -0.042 0.000 2.642 430 L HA 0.326 4.664 4.340 -0.002 0.000 0.233 430 L C -0.036 176.807 176.870 -0.045 0.000 1.077 430 L CA 0.390 55.207 54.840 -0.038 0.000 0.879 430 L CB 0.806 42.846 42.059 -0.033 0.000 1.151 430 L HN 0.435 nan 8.230 nan 0.000 0.495 431 V N 0.032 119.910 119.914 -0.061 0.000 2.709 431 V HA 0.425 4.544 4.120 -0.002 0.000 0.308 431 V C -1.024 175.025 176.094 -0.076 0.000 1.062 431 V CA -0.620 61.638 62.300 -0.069 0.000 0.901 431 V CB 2.587 34.355 31.823 -0.093 0.000 1.003 431 V HN 0.088 nan 8.190 nan 0.000 0.425 432 E N 2.587 122.749 120.200 -0.063 0.000 2.331 432 E HA 0.457 4.805 4.350 -0.002 0.000 0.275 432 E C -0.241 176.329 176.600 -0.051 0.000 0.895 432 E CA -0.614 55.751 56.400 -0.060 0.000 0.753 432 E CB 1.507 31.180 29.700 -0.046 0.000 1.216 432 E HN 0.767 nan 8.360 nan 0.000 0.434 433 N N 3.433 122.102 118.700 -0.051 0.000 2.721 433 N HA -0.244 4.494 4.740 -0.002 0.000 0.249 433 N C -0.822 174.666 175.510 -0.037 0.000 1.072 433 N CA 0.967 53.994 53.050 -0.038 0.000 0.710 433 N CB -0.703 37.769 38.487 -0.025 0.000 0.993 433 N HN 0.766 nan 8.380 nan 0.000 0.547 434 E N -2.642 117.524 120.200 -0.056 0.000 3.070 434 E HA -0.297 4.051 4.350 -0.002 0.000 0.285 434 E C 0.100 176.679 176.600 -0.035 0.000 0.972 434 E CA 0.877 57.247 56.400 -0.050 0.000 0.915 434 E CB -0.649 29.036 29.700 -0.024 0.000 1.466 434 E HN 0.618 nan 8.360 nan 0.000 0.432 435 R N 0.417 120.895 120.500 -0.038 0.000 2.673 435 R HA 0.385 4.724 4.340 -0.002 0.000 0.281 435 R C -2.895 173.386 176.300 -0.031 0.000 0.991 435 R CA -2.220 53.863 56.100 -0.027 0.000 0.896 435 R CB 1.687 31.974 30.300 -0.021 0.000 1.201 435 R HN -0.255 nan 8.270 nan 0.000 0.457 436 P HA -0.037 nan 4.420 nan 0.000 0.268 436 P C 0.439 177.725 177.300 -0.025 0.000 1.205 436 P CA -0.236 62.848 63.100 -0.026 0.000 0.771 436 P CB 0.925 32.613 31.700 -0.020 0.000 0.858 437 V N 1.093 120.991 119.914 -0.027 0.000 3.307 437 V HA 0.092 4.211 4.120 -0.002 0.000 0.253 437 V C 1.233 177.315 176.094 -0.020 0.000 1.149 437 V CA 0.952 63.238 62.300 -0.024 0.000 1.112 437 V CB -0.889 30.918 31.823 -0.027 0.000 0.777 437 V HN 0.364 nan 8.190 nan 0.000 0.464 438 L N 0.559 121.770 121.223 -0.020 0.000 2.547 438 L HA 0.629 4.967 4.340 -0.002 0.000 0.218 438 L C 1.578 178.439 176.870 -0.016 0.000 1.048 438 L CA 0.572 55.401 54.840 -0.017 0.000 0.859 438 L CB -0.151 41.898 42.059 -0.017 0.000 1.128 438 L HN 0.271 nan 8.230 nan 0.000 0.483 439 A N 0.383 123.193 122.820 -0.016 0.000 2.388 439 A HA 0.108 4.427 4.320 -0.002 0.000 0.257 439 A C -0.399 177.178 177.584 -0.013 0.000 1.095 439 A CA -0.131 51.897 52.037 -0.015 0.000 0.791 439 A CB 0.162 19.152 19.000 -0.016 0.000 1.029 439 A HN 0.138 nan 8.150 nan 0.000 0.489 440 D N 2.665 123.059 120.400 -0.011 0.000 2.483 440 D HA 0.143 4.781 4.640 -0.002 0.000 0.220 440 D C 1.036 177.331 176.300 -0.007 0.000 1.173 440 D CA -0.379 53.616 54.000 -0.009 0.000 0.964 440 D CB 0.343 41.138 40.800 -0.008 0.000 1.046 440 D HN 0.385 nan 8.370 nan 0.000 0.517 441 L N 4.198 125.417 121.223 -0.007 0.000 1.990 441 L HA -0.203 4.136 4.340 -0.002 0.000 0.213 441 L C 1.677 178.545 176.870 -0.003 0.000 1.072 441 L CA 2.035 56.872 54.840 -0.005 0.000 0.755 441 L CB -0.329 41.727 42.059 -0.005 0.000 0.889 441 L HN 0.246 nan 8.230 nan 0.000 0.432 442 E N -0.650 119.549 120.200 -0.003 0.000 2.110 442 E HA -0.209 4.139 4.350 -0.002 0.000 0.193 442 E C 2.360 178.959 176.600 -0.002 0.000 0.988 442 E CA 1.330 57.729 56.400 -0.002 0.000 0.804 442 E CB -0.291 29.407 29.700 -0.003 0.000 0.745 442 E HN 0.440 nan 8.360 nan 0.000 0.458 443 R N 0.335 120.833 120.500 -0.004 0.000 2.075 443 R HA -0.053 4.285 4.340 -0.002 0.000 0.232 443 R C 2.142 178.441 176.300 -0.003 0.000 1.126 443 R CA 1.103 57.200 56.100 -0.004 0.000 0.963 443 R CB -0.213 30.084 30.300 -0.005 0.000 0.858 443 R HN 0.178 nan 8.270 nan 0.000 0.435 444 I N 0.227 120.795 120.570 -0.003 0.000 2.179 444 I HA -0.262 3.907 4.170 -0.002 0.000 0.242 444 I C 2.223 178.340 176.117 0.001 0.000 1.088 444 I CA 0.996 62.295 61.300 -0.002 0.000 1.357 444 I CB -0.155 37.844 38.000 -0.003 0.000 1.051 444 I HN 0.042 nan 8.210 nan 0.000 0.409 445 V N 1.072 120.987 119.914 0.002 0.000 2.287 445 V HA -0.334 3.784 4.120 -0.002 0.000 0.248 445 V C 2.715 178.810 176.094 0.001 0.000 1.053 445 V CA 2.147 64.449 62.300 0.003 0.000 1.027 445 V CB -1.058 30.767 31.823 0.003 0.000 0.646 445 V HN 0.512 nan 8.190 nan 0.000 0.447 446 A N 0.284 123.103 122.820 -0.001 0.000 1.877 446 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 446 A C 2.067 179.649 177.584 -0.003 0.000 1.186 446 A CA 2.124 54.159 52.037 -0.003 0.000 0.620 446 A CB -0.684 18.314 19.000 -0.003 0.000 0.822 446 A HN 0.593 nan 8.150 nan 0.000 0.443 447 N N -0.313 118.386 118.700 -0.002 0.000 2.142 447 N HA -0.089 4.649 4.740 -0.002 0.000 0.186 447 N C 1.743 177.254 175.510 0.001 0.000 1.023 447 N CA 1.966 55.015 53.050 -0.001 0.000 0.852 447 N CB -0.848 37.638 38.487 -0.001 0.000 0.998 447 N HN 0.489 nan 8.380 nan 0.000 0.424 448 T N 0.205 114.761 114.554 0.003 0.000 2.812 448 T HA -0.050 4.299 4.350 -0.002 0.000 0.264 448 T C 1.874 176.575 174.700 0.002 0.000 1.042 448 T CA 1.374 63.479 62.100 0.009 0.000 1.140 448 T CB -0.497 68.380 68.868 0.015 0.000 0.870 448 T HN 0.270 nan 8.240 nan 0.000 0.445 449 T N 2.214 116.767 114.554 -0.003 0.000 2.720 449 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 449 T C 2.353 177.040 174.700 -0.022 0.000 1.037 449 T CA 1.194 63.287 62.100 -0.012 0.000 1.144 449 T CB -0.529 68.333 68.868 -0.009 0.000 0.864 449 T HN 0.435 nan 8.240 nan 0.000 0.444 450 A N 0.705 123.515 122.820 -0.017 0.000 2.070 450 A HA 0.082 4.401 4.320 -0.002 0.000 0.220 450 A C 2.059 179.626 177.584 -0.028 0.000 1.159 450 A CA 1.038 53.063 52.037 -0.021 0.000 0.656 450 A CB -0.569 18.423 19.000 -0.013 0.000 0.800 450 A HN 0.524 nan 8.150 nan 0.000 0.453 451 L N 0.021 121.232 121.223 -0.020 0.000 2.616 451 L HA 0.181 4.520 4.340 -0.002 0.000 0.229 451 L C -0.219 176.627 176.870 -0.041 0.000 1.110 451 L CA -0.496 54.336 54.840 -0.014 0.000 0.884 451 L CB 0.064 42.133 42.059 0.017 0.000 1.115 451 L HN 0.184 nan 8.230 nan 0.000 0.481 452 I N 1.803 122.330 120.570 -0.072 0.000 2.587 452 I HA 0.111 4.279 4.170 -0.002 0.000 0.284 452 I C -1.480 174.458 176.117 -0.299 0.000 1.134 452 I CA -1.538 59.672 61.300 -0.150 0.000 1.410 452 I CB -0.337 37.593 38.000 -0.116 0.000 1.392 452 I HN -0.095 nan 8.210 nan 0.000 0.545 453 P HA 0.000 nan 4.420 nan 0.000 0.216 453 P CA 0.000 62.609 63.100 -0.819 0.000 0.800 453 P CB 0.000 30.565 31.700 -1.891 0.000 0.726