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 3n2b_1_A DATA FIRST_RESID -7 DATA SEQUENCE NLYFQSNAMD YFNYQEDGQL WAEQVPLADL ANQYGTPLYV YSRATLERHW DATA SEQUENCE HAFDKSVGDY PHLICYAVKA NSNLGVLNTL ARLGSGFDIV SVGELERVLA DATA SEQUENCE AGGDPSKVVF SGVGKTEAEM KRALQLKIKC FNVESEPELQ RLNKVAGELG DATA SEQUENCE VKAPISLRIN PDVDAKTHPY ISTGLRDNKF GITFDRAAQV YRLAHSLPNL DATA SEQUENCE DVHGIDCHIG SQLTALAPFI DATDRLLALI DSLKAEGIHI RHLDVGGGLG DATA SEQUENCE VVYXXXXXPQ PSEYAKALLD RLERHRDLEL IFEPGRAIAA NAGVLVTKVE DATA SEQUENCE FLKHTXXKNF AIIDAAMNDL IRXXXXXXXQ DIIPLRPRQG EAQTYDLVGP DATA SEQUENCE VCETSDFLGK DRDLVLQEGD LLAVRSSGAY GFTMSSNYNT RPRVAEVMVD DATA SEQUENCE GNKTYLVRQR EELSSLWALE SVLPE 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 -7 N HA 0.000 nan 4.740 nan 0.000 0.220 -7 N C 0.000 175.528 175.510 0.031 0.000 1.280 -7 N CA 0.000 53.088 53.050 0.063 0.000 0.885 -7 N CB 0.000 38.557 38.487 0.116 0.000 1.341 -6 L N 1.593 122.772 121.223 -0.072 0.000 2.191 -6 L HA -0.058 4.265 4.340 -0.028 0.000 0.212 -6 L C 0.528 177.178 176.870 -0.367 0.000 1.103 -6 L CA 1.177 55.839 54.840 -0.297 0.000 0.769 -6 L CB -0.321 41.398 42.059 -0.567 0.000 0.908 -6 L HN 0.566 nan 8.230 nan 0.000 0.438 -5 Y N -1.921 118.406 120.300 0.046 0.000 2.625 -5 Y HA 0.152 4.685 4.550 -0.030 0.000 0.285 -5 Y C 0.522 176.443 175.900 0.034 0.000 1.168 -5 Y CA -1.246 56.870 58.100 0.028 0.000 1.250 -5 Y CB -0.533 37.926 38.460 -0.002 0.000 1.130 -5 Y HN -0.081 nan 8.280 nan 0.000 0.526 -4 F N 2.922 122.874 119.950 0.004 0.000 2.602 -4 F HA 0.025 4.532 4.527 -0.033 0.000 0.385 -4 F C 0.582 176.360 175.800 -0.036 0.000 1.063 -4 F CA -0.335 57.640 58.000 -0.042 0.000 1.233 -4 F CB 0.468 39.436 39.000 -0.054 0.000 1.067 -4 F HN 0.153 nan 8.300 nan 0.000 0.564 -3 Q N 4.347 123.817 119.800 -0.552 0.000 2.299 -3 Q HA 0.464 4.787 4.340 -0.028 0.000 0.246 -3 Q C -0.333 175.427 176.000 -0.400 0.000 0.935 -3 Q CA -0.452 55.138 55.803 -0.356 0.000 0.887 -3 Q CB 1.532 30.113 28.738 -0.262 0.000 1.223 -3 Q HN 0.786 nan 8.270 nan 0.000 0.439 -2 S N 0.771 116.340 115.700 -0.219 0.000 2.720 -2 S HA 0.716 5.169 4.470 -0.028 0.000 0.287 -2 S C -1.132 173.370 174.600 -0.165 0.000 1.168 -2 S CA -0.989 57.065 58.200 -0.243 0.000 0.832 -2 S CB 1.562 64.605 63.200 -0.260 0.000 1.166 -2 S HN 0.808 nan 8.310 nan 0.000 0.493 -1 N N -1.305 117.290 118.700 -0.176 0.000 2.647 -1 N HA 0.693 5.416 4.740 -0.028 0.000 0.266 -1 N C 0.426 175.867 175.510 -0.115 0.000 1.373 -1 N CA -0.551 52.441 53.050 -0.096 0.000 0.807 -1 N CB 0.913 39.380 38.487 -0.033 0.000 1.513 -1 N HN 0.755 nan 8.380 nan 0.000 0.505 0 A N -0.274 122.499 122.820 -0.079 0.000 2.015 0 A HA -0.012 4.292 4.320 -0.028 0.000 0.219 0 A C 1.470 178.978 177.584 -0.128 0.000 1.163 0 A CA 1.116 53.088 52.037 -0.108 0.000 0.646 0 A CB -0.646 18.302 19.000 -0.088 0.000 0.806 0 A HN 0.661 nan 8.150 nan 0.000 0.448 1 M N -0.392 119.185 119.600 -0.039 0.000 2.447 1 M HA 0.172 4.635 4.480 -0.028 0.000 0.266 1 M C 0.103 176.536 176.300 0.223 0.000 1.120 1 M CA 0.933 56.280 55.300 0.079 0.000 1.166 1 M CB -0.956 31.689 32.600 0.075 0.000 1.349 1 M HN 0.650 nan 8.290 nan 0.000 0.463 2 D N -2.480 117.999 120.400 0.132 0.000 2.768 2 D HA 0.169 4.793 4.640 -0.028 0.000 0.327 2 D C -0.916 175.404 176.300 0.033 0.000 1.302 2 D CA -0.617 53.514 54.000 0.219 0.000 0.897 2 D CB 0.274 41.340 40.800 0.443 0.000 1.420 2 D HN 0.024 nan 8.370 nan 0.000 0.494 3 Y N -0.830 119.410 120.300 -0.101 0.000 2.746 3 Y HA 0.380 4.912 4.550 -0.030 0.000 0.312 3 Y C -0.423 175.263 175.900 -0.355 0.000 1.117 3 Y CA -0.656 57.329 58.100 -0.192 0.000 1.324 3 Y CB 0.043 38.398 38.460 -0.174 0.000 1.173 3 Y HN 0.072 nan 8.280 nan 0.000 0.529 4 F N 1.240 121.262 119.950 0.120 0.000 2.308 4 F HA 0.396 4.903 4.527 -0.033 0.000 0.370 4 F C -0.018 175.736 175.800 -0.076 0.000 1.100 4 F CA -0.701 57.322 58.000 0.039 0.000 1.108 4 F CB 0.457 39.475 39.000 0.030 0.000 1.293 4 F HN 0.066 nan 8.300 nan 0.000 0.478 5 N N 1.555 120.249 118.700 -0.010 0.000 2.494 5 N HA 0.253 4.976 4.740 -0.028 0.000 0.270 5 N C -1.322 174.078 175.510 -0.184 0.000 1.285 5 N CA -0.831 52.135 53.050 -0.141 0.000 0.812 5 N CB 1.880 40.272 38.487 -0.158 0.000 1.557 5 N HN 0.242 nan 8.380 nan 0.000 0.487 6 Y N 0.774 121.083 120.300 0.014 0.000 2.326 6 Y HA 0.183 4.713 4.550 -0.033 0.000 0.333 6 Y C 1.133 176.968 175.900 -0.109 0.000 1.240 6 Y CA 0.215 58.334 58.100 0.031 0.000 1.365 6 Y CB 0.637 39.116 38.460 0.032 0.000 1.289 6 Y HN 0.189 nan 8.280 nan 0.000 0.548 7 Q N 0.360 120.191 119.800 0.051 0.000 3.017 7 Q HA 0.130 4.453 4.340 -0.028 0.000 0.299 7 Q C 0.937 176.911 176.000 -0.043 0.000 1.046 7 Q CA -0.781 54.902 55.803 -0.199 0.000 0.821 7 Q CB 0.547 28.844 28.738 -0.735 0.000 1.481 7 Q HN 0.669 nan 8.270 nan 0.000 0.494 8 E N 1.349 121.497 120.200 -0.086 0.000 2.333 8 E HA -0.178 4.155 4.350 -0.028 0.000 0.198 8 E C 0.398 177.027 176.600 0.049 0.000 1.007 8 E CA 1.353 57.742 56.400 -0.017 0.000 0.845 8 E CB 0.158 29.839 29.700 -0.031 0.000 0.766 8 E HN 0.616 nan 8.360 nan 0.000 0.507 9 D N -1.229 119.246 120.400 0.124 0.000 2.340 9 D HA 0.059 4.682 4.640 -0.028 0.000 0.220 9 D C 1.223 177.625 176.300 0.170 0.000 1.039 9 D CA 0.767 54.871 54.000 0.174 0.000 0.866 9 D CB -0.274 40.688 40.800 0.271 0.000 0.913 9 D HN 0.201 nan 8.370 nan 0.000 0.523 10 G N 0.622 109.521 108.800 0.166 0.000 2.136 10 G HA2 -0.278 3.666 3.960 -0.028 0.000 0.242 10 G HA3 -0.278 3.666 3.960 -0.028 0.000 0.242 10 G C -0.054 174.991 174.900 0.241 0.000 0.989 10 G CA 0.446 45.632 45.100 0.143 0.000 0.682 10 G HN 0.739 nan 8.290 nan 0.000 0.522 11 Q N -1.149 118.875 119.800 0.374 0.000 2.458 11 Q HA 0.830 5.153 4.340 -0.028 0.000 0.282 11 Q C -0.625 175.678 176.000 0.506 0.000 1.106 11 Q CA -1.421 54.623 55.803 0.400 0.000 0.814 11 Q CB 1.931 30.799 28.738 0.217 0.000 1.425 11 Q HN 0.458 nan 8.270 nan 0.000 0.437 12 L N 1.749 123.117 121.223 0.242 0.000 2.319 12 L HA 0.406 4.729 4.340 -0.028 0.000 0.280 12 L C -1.578 175.386 176.870 0.156 0.000 1.099 12 L CA 0.320 55.140 54.840 -0.034 0.000 0.828 12 L CB 0.188 42.095 42.059 -0.253 0.000 1.150 12 L HN 0.629 nan 8.230 nan 0.000 0.442 13 W N 3.880 125.139 121.300 -0.069 0.000 2.689 13 W HA 0.713 5.373 4.660 -0.000 0.000 0.340 13 W C -0.370 176.178 176.519 0.049 0.000 1.060 13 W CA -0.867 56.487 57.345 0.015 0.000 1.218 13 W CB 1.740 31.214 29.460 0.024 0.000 1.410 13 W HN 0.635 nan 8.180 nan 0.000 0.528 14 A N 3.052 126.039 122.820 0.277 0.000 2.341 14 A HA 0.583 4.886 4.320 -0.028 0.000 0.326 14 A C 0.412 178.066 177.584 0.117 0.000 1.402 14 A CA -0.030 52.073 52.037 0.109 0.000 0.957 14 A CB -0.229 18.882 19.000 0.185 0.000 1.151 14 A HN 0.866 nan 8.150 nan 0.000 0.533 15 E N 0.855 121.135 120.200 0.132 0.000 3.289 15 E HA -0.323 4.010 4.350 -0.028 0.000 0.386 15 E C 0.211 177.121 176.600 0.516 0.000 1.526 15 E CA 1.982 58.567 56.400 0.307 0.000 1.519 15 E CB -0.628 29.101 29.700 0.048 0.000 1.657 15 E HN 0.854 nan 8.360 nan 0.000 0.479 16 Q N 0.475 120.489 119.800 0.356 0.000 2.211 16 Q HA 0.297 4.620 4.340 -0.028 0.000 0.231 16 Q C -0.924 175.391 176.000 0.525 0.000 0.865 16 Q CA -0.145 55.945 55.803 0.477 0.000 0.997 16 Q CB 0.906 29.753 28.738 0.181 0.000 1.101 16 Q HN 0.064 nan 8.270 nan 0.000 0.468 17 V N 1.695 121.831 119.914 0.369 0.000 2.483 17 V HA 0.340 4.443 4.120 -0.028 0.000 0.297 17 V C -2.460 173.503 176.094 -0.219 0.000 1.027 17 V CA -2.538 59.781 62.300 0.032 0.000 0.855 17 V CB 1.749 33.567 31.823 -0.009 0.000 0.995 17 V HN 0.043 nan 8.190 nan 0.000 0.424 18 P HA 0.212 nan 4.420 nan 0.000 0.267 18 P C 0.953 178.031 177.300 -0.370 0.000 1.205 18 P CA 0.088 62.618 63.100 -0.950 0.000 0.765 18 P CB 0.788 31.872 31.700 -1.028 0.000 0.828 19 L N 2.848 123.940 121.223 -0.219 0.000 2.083 19 L HA -0.219 4.104 4.340 -0.028 0.000 0.209 19 L C 2.341 179.153 176.870 -0.096 0.000 1.083 19 L CA 1.776 56.567 54.840 -0.081 0.000 0.752 19 L CB -0.765 41.283 42.059 -0.018 0.000 0.899 19 L HN 0.414 nan 8.230 nan 0.000 0.433 20 A N -0.055 122.685 122.820 -0.133 0.000 1.940 20 A HA -0.247 4.056 4.320 -0.028 0.000 0.219 20 A C 1.844 179.365 177.584 -0.105 0.000 1.176 20 A CA 2.092 54.067 52.037 -0.103 0.000 0.631 20 A CB -0.472 18.468 19.000 -0.101 0.000 0.814 20 A HN 0.364 nan 8.150 nan 0.000 0.446 21 D N 0.076 120.389 120.400 -0.145 0.000 2.117 21 D HA -0.087 4.536 4.640 -0.028 0.000 0.198 21 D C 1.932 178.187 176.300 -0.074 0.000 0.982 21 D CA 0.944 54.870 54.000 -0.123 0.000 0.828 21 D CB -0.365 40.342 40.800 -0.154 0.000 0.967 21 D HN 0.467 nan 8.370 nan 0.000 0.464 22 L N 0.580 121.785 121.223 -0.030 0.000 2.046 22 L HA -0.131 4.193 4.340 -0.028 0.000 0.208 22 L C 2.486 179.410 176.870 0.091 0.000 1.077 22 L CA 1.155 56.050 54.840 0.092 0.000 0.747 22 L CB -0.505 41.606 42.059 0.088 0.000 0.896 22 L HN -0.009 nan 8.230 nan 0.000 0.432 23 A N 0.127 122.954 122.820 0.012 0.000 1.933 23 A HA -0.196 4.107 4.320 -0.028 0.000 0.218 23 A C 2.067 179.638 177.584 -0.022 0.000 1.175 23 A CA 1.782 53.818 52.037 -0.002 0.000 0.628 23 A CB -0.493 18.488 19.000 -0.031 0.000 0.814 23 A HN 0.414 nan 8.150 nan 0.000 0.444 24 N N -0.611 118.058 118.700 -0.051 0.000 2.142 24 N HA -0.149 4.574 4.740 -0.028 0.000 0.186 24 N C 1.898 177.337 175.510 -0.117 0.000 1.023 24 N CA 1.596 54.600 53.050 -0.075 0.000 0.852 24 N CB -0.370 38.069 38.487 -0.080 0.000 0.998 24 N HN 0.783 nan 8.380 nan 0.000 0.424 25 Q N -0.938 118.754 119.800 -0.180 0.000 2.137 25 Q HA -0.045 4.278 4.340 -0.028 0.000 0.198 25 Q C 0.685 176.393 176.000 -0.487 0.000 0.960 25 Q CA 1.104 56.674 55.803 -0.388 0.000 0.847 25 Q CB 0.129 28.513 28.738 -0.590 0.000 0.915 25 Q HN 0.380 nan 8.270 nan 0.000 0.448 26 Y N -0.864 119.410 120.300 -0.044 0.000 2.444 26 Y HA 0.372 4.909 4.550 -0.022 0.000 0.249 26 Y C 0.792 176.670 175.900 -0.036 0.000 1.134 26 Y CA 0.364 58.440 58.100 -0.039 0.000 1.261 26 Y CB 1.221 39.654 38.460 -0.044 0.000 1.143 26 Y HN 0.237 nan 8.280 nan 0.000 0.523 27 G N 0.744 109.584 108.800 0.066 0.000 2.795 27 G HA2 -0.038 3.905 3.960 -0.028 0.000 0.664 27 G HA3 -0.038 3.905 3.960 -0.028 0.000 0.664 27 G C -0.299 174.613 174.900 0.020 0.000 1.381 27 G CA -0.440 44.676 45.100 0.027 0.000 0.853 27 G HN 0.422 nan 8.290 nan 0.000 0.545 28 T N -0.923 113.626 114.554 -0.008 0.000 2.908 28 T HA 0.807 5.140 4.350 -0.028 0.000 0.290 28 T C -2.644 172.041 174.700 -0.025 0.000 1.034 28 T CA -1.307 60.776 62.100 -0.028 0.000 1.010 28 T CB 2.459 71.298 68.868 -0.049 0.000 1.068 28 T HN 0.583 nan 8.240 nan 0.000 0.481 29 P HA 0.556 nan 4.420 nan 0.000 0.272 29 P C -1.258 176.004 177.300 -0.063 0.000 1.240 29 P CA -0.705 62.351 63.100 -0.072 0.000 0.791 29 P CB 0.379 32.027 31.700 -0.087 0.000 0.978 30 L N 1.578 122.724 121.223 -0.128 0.000 2.493 30 L HA 0.433 4.756 4.340 -0.028 0.000 0.265 30 L C -1.760 174.982 176.870 -0.213 0.000 0.954 30 L CA -0.660 54.115 54.840 -0.109 0.000 0.844 30 L CB 1.287 43.306 42.059 -0.067 0.000 1.302 30 L HN 0.202 nan 8.230 nan 0.000 0.405 31 Y N 3.994 124.188 120.300 -0.177 0.000 2.327 31 Y HA 0.591 5.125 4.550 -0.027 0.000 0.336 31 Y C -0.088 175.494 175.900 -0.530 0.000 1.035 31 Y CA -0.142 57.767 58.100 -0.318 0.000 1.165 31 Y CB 1.607 39.864 38.460 -0.338 0.000 1.181 31 Y HN 0.328 nan 8.280 nan 0.000 0.494 32 V N 5.456 125.191 119.914 -0.299 0.000 2.409 32 V HA 0.328 4.432 4.120 -0.028 0.000 0.291 32 V C -1.001 175.070 176.094 -0.038 0.000 1.020 32 V CA -1.165 61.008 62.300 -0.211 0.000 0.848 32 V CB 0.627 32.453 31.823 0.006 0.000 0.990 32 V HN 0.467 nan 8.190 nan 0.000 0.430 33 Y N 1.749 122.180 120.300 0.218 0.000 2.420 33 Y HA 0.640 5.175 4.550 -0.025 0.000 0.334 33 Y C 0.599 176.626 175.900 0.212 0.000 1.094 33 Y CA -1.322 56.931 58.100 0.255 0.000 1.126 33 Y CB 2.027 40.560 38.460 0.122 0.000 1.217 33 Y HN 0.541 nan 8.280 nan 0.000 0.462 34 S N 2.691 118.611 115.700 0.366 0.000 2.474 34 S HA 0.319 4.772 4.470 -0.028 0.000 0.321 34 S C 1.068 175.686 174.600 0.030 0.000 1.080 34 S CA -0.755 57.476 58.200 0.050 0.000 1.106 34 S CB 0.625 63.688 63.200 -0.227 0.000 0.984 34 S HN 0.847 nan 8.310 nan 0.000 0.464 35 R N 3.867 124.355 120.500 -0.019 0.000 2.073 35 R HA -0.083 4.240 4.340 -0.028 0.000 0.234 35 R C 2.113 178.354 176.300 -0.098 0.000 1.134 35 R CA 1.823 57.905 56.100 -0.030 0.000 0.952 35 R CB -0.669 29.625 30.300 -0.009 0.000 0.850 35 R HN 0.784 nan 8.270 nan 0.000 0.433 36 A N -0.133 122.535 122.820 -0.254 0.000 1.972 36 A HA -0.118 4.186 4.320 -0.028 0.000 0.219 36 A C 2.110 179.564 177.584 -0.218 0.000 1.169 36 A CA 1.933 53.719 52.037 -0.419 0.000 0.635 36 A CB -0.693 17.671 19.000 -1.060 0.000 0.810 36 A HN 0.464 nan 8.150 nan 0.000 0.446 37 T N 0.469 114.980 114.554 -0.072 0.000 2.737 37 T HA -0.074 4.260 4.350 -0.028 0.000 0.265 37 T C 1.824 176.663 174.700 0.232 0.000 1.038 37 T CA 1.405 63.636 62.100 0.218 0.000 1.144 37 T CB -0.376 68.685 68.868 0.320 0.000 0.866 37 T HN 0.365 nan 8.240 nan 0.000 0.434 38 L N 0.677 121.991 121.223 0.151 0.000 2.012 38 L HA -0.137 4.187 4.340 -0.028 0.000 0.210 38 L C 2.798 179.746 176.870 0.130 0.000 1.073 38 L CA 1.542 56.457 54.840 0.125 0.000 0.748 38 L CB -0.545 41.510 42.059 -0.006 0.000 0.891 38 L HN 0.336 nan 8.230 nan 0.000 0.431 39 E N -0.386 119.856 120.200 0.071 0.000 2.051 39 E HA -0.267 4.066 4.350 -0.028 0.000 0.192 39 E C 2.251 178.998 176.600 0.245 0.000 0.991 39 E CA 1.024 57.484 56.400 0.100 0.000 0.799 39 E CB -0.158 29.595 29.700 0.089 0.000 0.748 39 E HN 0.319 nan 8.360 nan 0.000 0.449 40 R N 0.538 121.153 120.500 0.191 0.000 2.094 40 R HA -0.212 4.112 4.340 -0.028 0.000 0.239 40 R C 2.195 178.579 176.300 0.141 0.000 1.137 40 R CA 1.760 57.952 56.100 0.152 0.000 0.943 40 R CB -0.250 30.071 30.300 0.035 0.000 0.850 40 R HN 0.335 nan 8.270 nan 0.000 0.433 41 H N -1.522 117.714 119.070 0.277 0.000 2.395 41 H HA -0.158 4.380 4.556 -0.029 0.000 0.299 41 H C 1.685 177.167 175.328 0.257 0.000 1.070 41 H CA 1.498 57.718 56.048 0.286 0.000 1.356 41 H CB -0.520 29.393 29.762 0.251 0.000 1.401 41 H HN 0.441 nan 8.280 nan 0.000 0.524 42 W N 1.909 123.291 121.300 0.137 0.000 2.355 42 W HA -0.176 4.467 4.660 -0.028 0.000 0.309 42 W C 2.540 179.075 176.519 0.028 0.000 1.206 42 W CA 1.516 58.861 57.345 0.001 0.000 1.284 42 W CB -0.285 29.063 29.460 -0.187 0.000 1.145 42 W HN 0.194 nan 8.180 nan 0.000 0.502 43 H N -0.231 119.072 119.070 0.387 0.000 2.353 43 H HA -0.105 4.434 4.556 -0.029 0.000 0.300 43 H C 2.239 177.579 175.328 0.020 0.000 1.090 43 H CA 1.881 58.053 56.048 0.206 0.000 1.327 43 H CB -1.123 28.782 29.762 0.239 0.000 1.383 43 H HN 0.293 nan 8.280 nan 0.000 0.508 44 A N 0.564 123.498 122.820 0.190 0.000 1.908 44 A HA -0.185 4.118 4.320 -0.028 0.000 0.218 44 A C 2.360 179.885 177.584 -0.099 0.000 1.181 44 A CA 1.310 53.386 52.037 0.065 0.000 0.627 44 A CB -1.006 18.100 19.000 0.177 0.000 0.818 44 A HN 0.324 nan 8.150 nan 0.000 0.445 45 F N 0.263 120.077 119.950 -0.226 0.000 2.128 45 F HA -0.112 4.398 4.527 -0.028 0.000 0.295 45 F C 2.053 177.539 175.800 -0.524 0.000 1.100 45 F CA 1.902 59.665 58.000 -0.394 0.000 1.260 45 F CB -0.139 38.616 39.000 -0.408 0.000 1.009 45 F HN 0.354 nan 8.300 nan 0.000 0.476 46 D N -0.083 120.093 120.400 -0.374 0.000 2.149 46 D HA -0.189 4.434 4.640 -0.028 0.000 0.198 46 D C 1.887 178.051 176.300 -0.227 0.000 0.990 46 D CA 1.448 55.197 54.000 -0.418 0.000 0.839 46 D CB -0.036 40.322 40.800 -0.738 0.000 0.948 46 D HN 0.215 nan 8.370 nan 0.000 0.460 47 K N -0.416 119.890 120.400 -0.155 0.000 2.305 47 K HA -0.004 4.299 4.320 -0.028 0.000 0.199 47 K C 2.158 178.648 176.600 -0.182 0.000 1.047 47 K CA 0.749 56.977 56.287 -0.098 0.000 0.976 47 K CB 0.123 32.605 32.500 -0.030 0.000 0.765 47 K HN 0.150 nan 8.250 nan 0.000 0.474 48 S N 1.061 116.577 115.700 -0.308 0.000 2.400 48 S HA -0.112 4.341 4.470 -0.028 0.000 0.232 48 S C 2.002 176.414 174.600 -0.314 0.000 1.025 48 S CA 1.288 59.271 58.200 -0.361 0.000 0.993 48 S CB -0.640 62.212 63.200 -0.581 0.000 0.808 48 S HN 0.179 nan 8.310 nan 0.000 0.478 49 V N -1.645 118.060 119.914 -0.348 0.000 3.649 49 V HA 0.561 4.664 4.120 -0.028 0.000 0.275 49 V C 1.601 177.655 176.094 -0.067 0.000 1.281 49 V CA -0.112 62.064 62.300 -0.207 0.000 1.143 49 V CB -1.516 30.186 31.823 -0.202 0.000 0.892 49 V HN 0.781 nan 8.190 nan 0.000 0.441 50 G N 1.392 110.149 108.800 -0.071 0.000 2.583 50 G HA2 -0.466 3.477 3.960 -0.028 0.000 0.292 50 G HA3 -0.466 3.477 3.960 -0.028 0.000 0.292 50 G C 0.609 175.578 174.900 0.116 0.000 1.203 50 G CA 0.828 45.941 45.100 0.022 0.000 0.987 50 G HN 0.520 nan 8.290 nan 0.000 0.554 51 D N -0.537 119.941 120.400 0.129 0.000 2.347 51 D HA 0.058 4.681 4.640 -0.028 0.000 0.215 51 D C 0.913 177.322 176.300 0.181 0.000 0.976 51 D CA 0.299 54.382 54.000 0.138 0.000 0.884 51 D CB -0.144 40.712 40.800 0.095 0.000 0.915 51 D HN 0.365 nan 8.370 nan 0.000 0.526 52 Y N 1.714 122.098 120.300 0.140 0.000 2.442 52 Y HA 0.191 4.724 4.550 -0.028 0.000 0.330 52 Y C -1.937 174.137 175.900 0.290 0.000 1.129 52 Y CA -2.163 56.037 58.100 0.167 0.000 1.365 52 Y CB 0.586 39.126 38.460 0.133 0.000 1.233 52 Y HN -0.049 nan 8.280 nan 0.000 0.529 53 P HA -0.005 nan 4.420 nan 0.000 0.260 53 P C -1.116 176.297 177.300 0.190 0.000 1.185 53 P CA 1.045 64.080 63.100 -0.108 0.000 0.763 53 P CB 0.124 31.661 31.700 -0.271 0.000 0.776 54 H N 1.902 121.054 119.070 0.137 0.000 2.981 54 H HA 0.667 5.206 4.556 -0.028 0.000 0.327 54 H C -2.083 173.342 175.328 0.162 0.000 1.342 54 H CA -1.171 55.005 56.048 0.213 0.000 1.123 54 H CB 1.260 31.230 29.762 0.346 0.000 1.851 54 H HN 0.250 nan 8.280 nan 0.000 0.531 55 L N 1.692 123.076 121.223 0.268 0.000 2.470 55 L HA 0.400 4.723 4.340 -0.028 0.000 0.268 55 L C -1.471 175.574 176.870 0.292 0.000 0.964 55 L CA -0.749 54.196 54.840 0.175 0.000 0.839 55 L CB 1.679 43.778 42.059 0.067 0.000 1.276 55 L HN 0.550 nan 8.230 nan 0.000 0.403 56 I N 4.268 124.997 120.570 0.264 0.000 2.337 56 I HA 0.194 4.347 4.170 -0.028 0.000 0.291 56 I C -0.316 175.862 176.117 0.101 0.000 1.046 56 I CA -0.129 61.272 61.300 0.168 0.000 1.324 56 I CB 0.565 38.549 38.000 -0.027 0.000 1.409 56 I HN 0.589 nan 8.210 nan 0.000 0.494 57 C N 7.763 127.101 119.300 0.063 0.000 2.184 57 C HA 0.194 4.638 4.460 -0.028 0.000 0.328 57 C C 0.375 175.381 174.990 0.027 0.000 1.081 57 C CA -0.823 58.205 59.018 0.018 0.000 1.533 57 C CB -1.246 26.513 27.740 0.032 0.000 1.905 57 C HN 0.613 nan 8.230 nan 0.000 0.439 58 Y N 2.653 122.885 120.300 -0.113 0.000 2.717 58 Y HA 0.279 4.812 4.550 -0.028 0.000 0.330 58 Y C 0.666 176.596 175.900 0.051 0.000 1.217 58 Y CA -0.023 58.050 58.100 -0.044 0.000 1.506 58 Y CB 0.540 38.983 38.460 -0.030 0.000 1.268 58 Y HN 0.748 nan 8.280 nan 0.000 0.561 59 A N 7.052 129.493 122.820 -0.632 0.000 2.544 59 A HA 0.308 4.611 4.320 -0.028 0.000 0.301 59 A C 0.929 178.013 177.584 -0.834 0.000 1.368 59 A CA -0.204 51.524 52.037 -0.515 0.000 1.045 59 A CB -0.604 18.213 19.000 -0.304 0.000 1.129 59 A HN 0.912 nan 8.150 nan 0.000 0.540 60 V N 3.774 123.423 119.914 -0.441 0.000 2.380 60 V HA -0.349 3.754 4.120 -0.028 0.000 0.251 60 V C 2.703 178.669 176.094 -0.213 0.000 1.063 60 V CA 2.556 64.717 62.300 -0.231 0.000 1.055 60 V CB -0.740 31.058 31.823 -0.041 0.000 0.657 60 V HN 1.062 nan 8.190 nan 0.000 0.455 61 K N 1.331 121.619 120.400 -0.187 0.000 2.211 61 K HA -0.140 4.163 4.320 -0.028 0.000 0.204 61 K C 2.078 178.506 176.600 -0.287 0.000 1.047 61 K CA 1.673 57.887 56.287 -0.123 0.000 0.935 61 K CB -0.538 31.966 32.500 0.007 0.000 0.728 61 K HN 0.377 nan 8.250 nan 0.000 0.452 62 A N 1.653 124.165 122.820 -0.512 0.000 1.908 62 A HA -0.150 4.153 4.320 -0.028 0.000 0.218 62 A C 0.907 178.194 177.584 -0.495 0.000 1.181 62 A CA 1.492 52.984 52.037 -0.909 0.000 0.627 62 A CB -0.315 18.304 19.000 -0.634 0.000 0.818 62 A HN 0.561 nan 8.150 nan 0.000 0.445 63 N N -1.845 116.734 118.700 -0.201 0.000 2.905 63 N HA 0.126 4.849 4.740 -0.028 0.000 0.255 63 N C -0.827 174.689 175.510 0.010 0.000 1.199 63 N CA 0.238 53.226 53.050 -0.105 0.000 0.911 63 N CB 0.823 39.211 38.487 -0.166 0.000 1.550 63 N HN -0.064 nan 8.380 nan 0.000 0.599 64 S N 1.029 116.718 115.700 -0.018 0.000 2.557 64 S HA 0.099 4.552 4.470 -0.028 0.000 0.223 64 S C 0.655 175.234 174.600 -0.036 0.000 0.969 64 S CA -0.606 57.590 58.200 -0.007 0.000 0.927 64 S CB -0.248 62.939 63.200 -0.022 0.000 0.806 64 S HN 0.641 nan 8.310 nan 0.000 0.489 65 N N 2.214 120.879 118.700 -0.057 0.000 2.356 65 N HA 0.019 4.742 4.740 -0.028 0.000 0.252 65 N C 0.967 176.426 175.510 -0.085 0.000 1.241 65 N CA 0.143 53.148 53.050 -0.076 0.000 0.861 65 N CB 0.465 38.903 38.487 -0.081 0.000 1.075 65 N HN 0.231 nan 8.380 nan 0.000 0.461 66 L N 3.354 124.526 121.223 -0.086 0.000 2.079 66 L HA -0.144 4.179 4.340 -0.028 0.000 0.210 66 L C 2.418 179.228 176.870 -0.100 0.000 1.081 66 L CA 1.542 56.321 54.840 -0.100 0.000 0.752 66 L CB -0.728 41.274 42.059 -0.095 0.000 0.896 66 L HN 0.725 nan 8.230 nan 0.000 0.433 67 G N -0.332 108.420 108.800 -0.080 0.000 2.418 67 G HA2 -0.176 3.767 3.960 -0.028 0.000 0.217 67 G HA3 -0.176 3.767 3.960 -0.028 0.000 0.217 67 G C 1.600 176.454 174.900 -0.077 0.000 1.158 67 G CA 0.861 45.921 45.100 -0.067 0.000 0.771 67 G HN 0.186 nan 8.290 nan 0.000 0.545 68 V N 1.007 120.863 119.914 -0.096 0.000 2.307 68 V HA -0.108 3.996 4.120 -0.028 0.000 0.245 68 V C 2.915 178.917 176.094 -0.154 0.000 1.045 68 V CA 1.410 63.617 62.300 -0.154 0.000 1.024 68 V CB -0.468 31.214 31.823 -0.235 0.000 0.651 68 V HN 0.331 nan 8.190 nan 0.000 0.449 69 L N 0.367 121.522 121.223 -0.114 0.000 2.083 69 L HA -0.199 4.124 4.340 -0.028 0.000 0.209 69 L C 2.519 179.345 176.870 -0.074 0.000 1.083 69 L CA 1.953 56.742 54.840 -0.085 0.000 0.752 69 L CB -0.813 41.129 42.059 -0.195 0.000 0.899 69 L HN 0.499 nan 8.230 nan 0.000 0.433 70 N N -0.303 118.331 118.700 -0.110 0.000 2.142 70 N HA -0.169 4.554 4.740 -0.028 0.000 0.186 70 N C 1.639 177.079 175.510 -0.117 0.000 1.023 70 N CA 1.864 54.850 53.050 -0.106 0.000 0.852 70 N CB 0.128 38.544 38.487 -0.119 0.000 0.998 70 N HN 0.246 nan 8.380 nan 0.000 0.424 71 T N 2.008 116.483 114.554 -0.133 0.000 2.665 71 T HA -0.113 4.220 4.350 -0.028 0.000 0.268 71 T C 2.019 176.571 174.700 -0.247 0.000 1.035 71 T CA 1.149 63.152 62.100 -0.161 0.000 1.151 71 T CB -0.205 68.576 68.868 -0.146 0.000 0.862 71 T HN 0.211 nan 8.240 nan 0.000 0.438 72 L N 0.557 121.617 121.223 -0.272 0.000 2.109 72 L HA 0.025 4.348 4.340 -0.028 0.000 0.207 72 L C 3.081 179.735 176.870 -0.359 0.000 1.086 72 L CA 0.997 55.564 54.840 -0.454 0.000 0.760 72 L CB -0.722 41.073 42.059 -0.440 0.000 0.910 72 L HN 0.231 nan 8.230 nan 0.000 0.437 73 A N 0.393 123.194 122.820 -0.032 0.000 1.940 73 A HA -0.210 4.094 4.320 -0.028 0.000 0.219 73 A C 2.366 179.877 177.584 -0.123 0.000 1.176 73 A CA 1.455 53.511 52.037 0.031 0.000 0.631 73 A CB -0.482 18.569 19.000 0.086 0.000 0.814 73 A HN 0.327 nan 8.150 nan 0.000 0.446 74 R N -0.638 119.764 120.500 -0.162 0.000 2.152 74 R HA 0.026 4.349 4.340 -0.028 0.000 0.232 74 R C 1.367 177.541 176.300 -0.210 0.000 1.117 74 R CA 1.087 57.093 56.100 -0.157 0.000 0.981 74 R CB -0.337 29.881 30.300 -0.136 0.000 0.870 74 R HN 0.518 nan 8.270 nan 0.000 0.451 75 L N -0.775 120.218 121.223 -0.384 0.000 2.591 75 L HA 0.213 4.536 4.340 -0.028 0.000 0.228 75 L C 1.034 177.618 176.870 -0.477 0.000 1.133 75 L CA 0.333 54.857 54.840 -0.526 0.000 0.880 75 L CB 0.251 41.651 42.059 -1.097 0.000 1.033 75 L HN 0.403 nan 8.230 nan 0.000 0.450 76 G N 0.101 108.703 108.800 -0.330 0.000 2.132 76 G HA2 -0.275 3.668 3.960 -0.028 0.000 0.228 76 G HA3 -0.275 3.668 3.960 -0.028 0.000 0.228 76 G C 0.340 175.147 174.900 -0.154 0.000 1.000 76 G CA 0.378 45.381 45.100 -0.161 0.000 0.693 76 G HN 0.301 nan 8.290 nan 0.000 0.515 77 S N -0.301 115.162 115.700 -0.395 0.000 2.579 77 S HA 0.588 5.041 4.470 -0.028 0.000 0.275 77 S C 1.266 175.616 174.600 -0.416 0.000 1.345 77 S CA 0.861 58.881 58.200 -0.300 0.000 1.031 77 S CB 0.571 63.371 63.200 -0.666 0.000 0.892 77 S HN 1.516 nan 8.310 nan 0.000 0.529 78 G N 1.312 109.926 108.800 -0.311 0.000 2.531 78 G HA2 0.678 4.621 3.960 -0.028 0.000 0.313 78 G HA3 0.678 4.621 3.960 -0.028 0.000 0.313 78 G C -1.475 173.011 174.900 -0.691 0.000 1.238 78 G CA -0.590 44.331 45.100 -0.299 0.000 0.994 78 G HN 0.568 nan 8.290 nan 0.000 0.493 79 F N -1.274 118.719 119.950 0.073 0.000 2.591 79 F HA 0.353 4.863 4.527 -0.029 0.000 0.309 79 F C -0.836 174.967 175.800 0.005 0.000 1.098 79 F CA -0.913 57.125 58.000 0.063 0.000 0.937 79 F CB 2.746 41.768 39.000 0.037 0.000 1.250 79 F HN 0.389 nan 8.300 nan 0.000 0.447 80 D N 3.391 123.882 120.400 0.151 0.000 2.303 80 D HA 0.571 5.194 4.640 -0.028 0.000 0.236 80 D C -0.835 175.488 176.300 0.039 0.000 1.068 80 D CA -0.253 53.790 54.000 0.071 0.000 0.830 80 D CB 0.915 41.734 40.800 0.031 0.000 1.109 80 D HN 0.513 nan 8.370 nan 0.000 0.496 81 I N 0.860 121.436 120.570 0.010 0.000 2.693 81 I HA 0.545 4.698 4.170 -0.028 0.000 0.303 81 I C 0.337 176.461 176.117 0.012 0.000 1.025 81 I CA -1.050 60.207 61.300 -0.072 0.000 1.086 81 I CB 2.240 40.095 38.000 -0.242 0.000 1.268 81 I HN 0.211 nan 8.210 nan 0.000 0.440 82 V N 0.520 120.447 119.914 0.022 0.000 3.346 82 V HA 0.464 4.567 4.120 -0.028 0.000 0.309 82 V C 0.205 176.450 176.094 0.252 0.000 1.457 82 V CA 0.627 63.050 62.300 0.204 0.000 1.069 82 V CB -0.991 30.925 31.823 0.155 0.000 0.944 82 V HN 0.996 nan 8.190 nan 0.000 0.449 83 S N -1.941 113.758 115.700 -0.002 0.000 2.588 83 S HA 0.504 4.957 4.470 -0.028 0.000 0.269 83 S C 0.081 174.534 174.600 -0.244 0.000 1.157 83 S CA 0.231 58.438 58.200 0.010 0.000 0.824 83 S CB 1.608 64.825 63.200 0.029 0.000 1.126 83 S HN 0.553 nan 8.310 nan 0.000 0.464 84 V N 2.052 121.911 119.914 -0.091 0.000 2.407 84 V HA 0.066 4.169 4.120 -0.028 0.000 0.248 84 V C 2.232 178.255 176.094 -0.119 0.000 1.055 84 V CA 2.913 65.139 62.300 -0.124 0.000 1.049 84 V CB -1.212 30.615 31.823 0.007 0.000 0.662 84 V HN 1.115 nan 8.190 nan 0.000 0.455 85 G N -0.874 107.882 108.800 -0.073 0.000 2.440 85 G HA2 -0.255 3.689 3.960 -0.028 0.000 0.218 85 G HA3 -0.255 3.689 3.960 -0.028 0.000 0.218 85 G C 1.413 176.249 174.900 -0.106 0.000 1.154 85 G CA 0.961 46.020 45.100 -0.068 0.000 0.767 85 G HN 0.612 nan 8.290 nan 0.000 0.552 86 E N -0.353 119.769 120.200 -0.131 0.000 2.106 86 E HA -0.072 4.261 4.350 -0.028 0.000 0.192 86 E C 2.378 178.852 176.600 -0.210 0.000 0.984 86 E CA 0.547 56.854 56.400 -0.154 0.000 0.806 86 E CB -0.142 29.474 29.700 -0.140 0.000 0.750 86 E HN 0.346 nan 8.360 nan 0.000 0.458 87 L N 1.720 122.788 121.223 -0.259 0.000 2.017 87 L HA -0.181 4.142 4.340 -0.028 0.000 0.208 87 L C 1.966 178.720 176.870 -0.194 0.000 1.073 87 L CA 1.840 56.524 54.840 -0.261 0.000 0.745 87 L CB -0.291 41.580 42.059 -0.312 0.000 0.894 87 L HN -0.036 nan 8.230 nan 0.000 0.432 88 E N -0.129 119.979 120.200 -0.153 0.000 2.110 88 E HA -0.209 4.125 4.350 -0.028 0.000 0.193 88 E C 2.326 178.846 176.600 -0.133 0.000 0.988 88 E CA 1.012 57.341 56.400 -0.119 0.000 0.804 88 E CB -0.232 29.418 29.700 -0.085 0.000 0.745 88 E HN 0.563 nan 8.360 nan 0.000 0.458 89 R N 0.406 120.816 120.500 -0.149 0.000 2.080 89 R HA -0.102 4.221 4.340 -0.028 0.000 0.236 89 R C 2.552 178.712 176.300 -0.234 0.000 1.137 89 R CA 1.327 57.330 56.100 -0.162 0.000 0.943 89 R CB -0.528 29.681 30.300 -0.151 0.000 0.846 89 R HN 0.016 nan 8.270 nan 0.000 0.431 90 V N 1.494 121.218 119.914 -0.317 0.000 2.287 90 V HA -0.261 3.842 4.120 -0.028 0.000 0.248 90 V C 2.259 178.172 176.094 -0.302 0.000 1.053 90 V CA 1.737 63.749 62.300 -0.480 0.000 1.027 90 V CB -0.488 30.992 31.823 -0.572 0.000 0.646 90 V HN 0.255 nan 8.190 nan 0.000 0.447 91 L N 0.662 121.763 121.223 -0.203 0.000 2.046 91 L HA -0.107 4.216 4.340 -0.028 0.000 0.208 91 L C 2.417 179.214 176.870 -0.121 0.000 1.077 91 L CA 2.358 57.117 54.840 -0.135 0.000 0.747 91 L CB -0.800 41.198 42.059 -0.102 0.000 0.896 91 L HN 0.241 nan 8.230 nan 0.000 0.432 92 A N -0.897 121.848 122.820 -0.126 0.000 2.015 92 A HA 0.034 4.337 4.320 -0.028 0.000 0.219 92 A C 2.226 179.741 177.584 -0.115 0.000 1.163 92 A CA 1.274 53.248 52.037 -0.106 0.000 0.646 92 A CB -0.876 18.066 19.000 -0.096 0.000 0.806 92 A HN 0.508 nan 8.150 nan 0.000 0.448 93 A N -1.744 120.986 122.820 -0.150 0.000 2.238 93 A HA 0.422 4.725 4.320 -0.028 0.000 0.208 93 A C 1.691 179.199 177.584 -0.125 0.000 1.177 93 A CA 1.103 53.049 52.037 -0.152 0.000 0.804 93 A CB -0.864 18.010 19.000 -0.209 0.000 0.823 93 A HN 1.815 nan 8.150 nan 0.000 0.482 94 G N -1.622 107.113 108.800 -0.109 0.000 2.136 94 G HA2 -0.038 3.906 3.960 -0.028 0.000 0.242 94 G HA3 -0.038 3.906 3.960 -0.028 0.000 0.242 94 G C 0.674 175.545 174.900 -0.047 0.000 0.989 94 G CA 0.255 45.311 45.100 -0.074 0.000 0.682 94 G HN 1.348 nan 8.290 nan 0.000 0.522 95 G N -0.610 108.149 108.800 -0.069 0.000 2.569 95 G HA2 0.446 4.390 3.960 -0.028 0.000 0.249 95 G HA3 0.446 4.390 3.960 -0.028 0.000 0.249 95 G C -0.434 174.490 174.900 0.039 0.000 1.216 95 G CA 0.348 45.467 45.100 0.032 0.000 0.845 95 G HN 0.270 nan 8.290 nan 0.000 0.568 96 D N 1.054 121.520 120.400 0.110 0.000 2.313 96 D HA 0.304 4.927 4.640 -0.028 0.000 0.239 96 D C -1.358 174.982 176.300 0.067 0.000 1.142 96 D CA -2.260 51.778 54.000 0.063 0.000 0.847 96 D CB 1.840 42.674 40.800 0.056 0.000 1.082 96 D HN -0.059 nan 8.370 nan 0.000 0.480 97 P HA -0.129 nan 4.420 nan 0.000 0.219 97 P C 1.146 178.456 177.300 0.017 0.000 1.146 97 P CA 0.945 64.050 63.100 0.008 0.000 0.808 97 P CB 0.074 31.766 31.700 -0.012 0.000 0.779 98 S N -1.150 114.565 115.700 0.025 0.000 2.595 98 S HA -0.027 4.426 4.470 -0.028 0.000 0.235 98 S C 1.230 175.846 174.600 0.028 0.000 0.974 98 S CA 0.662 58.878 58.200 0.027 0.000 0.942 98 S CB -0.791 62.428 63.200 0.031 0.000 0.766 98 S HN 0.206 nan 8.310 nan 0.000 0.536 99 K N 0.752 121.178 120.400 0.044 0.000 2.478 99 K HA 0.352 4.655 4.320 -0.028 0.000 0.205 99 K C -0.990 175.652 176.600 0.070 0.000 1.033 99 K CA -0.138 56.175 56.287 0.044 0.000 1.091 99 K CB 1.318 33.848 32.500 0.050 0.000 0.844 99 K HN 0.197 nan 8.250 nan 0.000 0.507 100 V N 2.327 122.274 119.914 0.055 0.000 2.459 100 V HA 0.289 4.392 4.120 -0.028 0.000 0.295 100 V C -0.132 175.956 176.094 -0.010 0.000 1.029 100 V CA -1.020 61.313 62.300 0.054 0.000 0.874 100 V CB 1.633 33.465 31.823 0.015 0.000 0.985 100 V HN 0.017 nan 8.190 nan 0.000 0.438 101 V N 2.363 122.285 119.914 0.013 0.000 2.581 101 V HA 0.633 4.736 4.120 -0.028 0.000 0.303 101 V C -0.789 175.347 176.094 0.071 0.000 1.041 101 V CA -0.731 61.578 62.300 0.016 0.000 0.907 101 V CB 1.805 33.652 31.823 0.040 0.000 0.994 101 V HN 0.723 nan 8.190 nan 0.000 0.442 102 F N 2.936 122.804 119.950 -0.138 0.000 2.375 102 F HA 0.681 5.191 4.527 -0.028 0.000 0.361 102 F C 0.356 176.163 175.800 0.012 0.000 1.117 102 F CA -0.324 57.614 58.000 -0.103 0.000 1.037 102 F CB 1.499 40.331 39.000 -0.279 0.000 1.192 102 F HN 0.731 nan 8.300 nan 0.000 0.452 103 S N 2.807 118.758 115.700 0.418 0.000 2.747 103 S HA 0.956 5.409 4.470 -0.028 0.000 0.300 103 S C -0.292 174.449 174.600 0.235 0.000 1.121 103 S CA -0.257 58.082 58.200 0.232 0.000 0.995 103 S CB 1.803 65.105 63.200 0.170 0.000 1.113 103 S HN 1.101 nan 8.310 nan 0.000 0.547 104 G N -0.483 108.404 108.800 0.145 0.000 2.653 104 G HA2 0.017 3.960 3.960 -0.028 0.000 0.656 104 G HA3 0.017 3.960 3.960 -0.028 0.000 0.656 104 G C 0.062 175.017 174.900 0.091 0.000 1.419 104 G CA -0.337 44.851 45.100 0.147 0.000 0.862 104 G HN 1.251 nan 8.290 nan 0.000 0.639 105 V N -0.327 119.660 119.914 0.122 0.000 3.306 105 V HA 0.527 4.630 4.120 -0.028 0.000 0.264 105 V C 1.517 177.620 176.094 0.016 0.000 1.149 105 V CA 2.032 64.374 62.300 0.070 0.000 1.143 105 V CB 0.419 32.282 31.823 0.068 0.000 0.767 105 V HN 2.027 nan 8.190 nan 0.000 0.476 106 G N 0.383 109.197 108.800 0.024 0.000 4.432 106 G HA2 0.279 4.223 3.960 -0.028 0.000 0.294 106 G HA3 0.279 4.223 3.960 -0.028 0.000 0.294 106 G C 0.125 175.028 174.900 0.005 0.000 1.141 106 G CA -0.674 44.430 45.100 0.007 0.000 0.895 106 G HN 0.452 nan 8.290 nan 0.000 0.548 107 K N 1.588 121.965 120.400 -0.038 0.000 2.484 107 K HA 0.219 4.522 4.320 -0.028 0.000 0.280 107 K C 0.899 177.484 176.600 -0.025 0.000 1.013 107 K CA 0.240 56.493 56.287 -0.056 0.000 1.029 107 K CB 0.600 32.933 32.500 -0.277 0.000 0.902 107 K HN 0.356 nan 8.250 nan 0.000 0.481 108 T N -0.868 113.707 114.554 0.035 0.000 2.874 108 T HA 0.105 4.438 4.350 -0.028 0.000 0.281 108 T C 1.089 175.801 174.700 0.021 0.000 0.994 108 T CA -0.768 61.348 62.100 0.027 0.000 1.015 108 T CB 1.177 70.074 68.868 0.049 0.000 1.028 108 T HN 0.560 nan 8.240 nan 0.000 0.523 109 E N 0.727 120.930 120.200 0.004 0.000 2.085 109 E HA -0.163 4.170 4.350 -0.028 0.000 0.194 109 E C 2.431 179.050 176.600 0.032 0.000 0.994 109 E CA 1.244 57.642 56.400 -0.002 0.000 0.801 109 E CB -0.425 29.268 29.700 -0.011 0.000 0.743 109 E HN 0.813 nan 8.360 nan 0.000 0.453 110 A N 1.573 124.421 122.820 0.047 0.000 1.902 110 A HA -0.248 4.056 4.320 -0.028 0.000 0.217 110 A C 1.953 179.601 177.584 0.108 0.000 1.181 110 A CA 1.529 53.604 52.037 0.063 0.000 0.623 110 A CB -0.403 18.628 19.000 0.052 0.000 0.818 110 A HN 0.179 nan 8.150 nan 0.000 0.443 111 E N -0.668 119.622 120.200 0.151 0.000 2.072 111 E HA -0.175 4.158 4.350 -0.028 0.000 0.191 111 E C 2.114 178.939 176.600 0.375 0.000 0.985 111 E CA 1.452 58.016 56.400 0.273 0.000 0.801 111 E CB -0.286 29.648 29.700 0.390 0.000 0.750 111 E HN 0.667 nan 8.360 nan 0.000 0.452 112 M N 0.748 120.508 119.600 0.267 0.000 2.117 112 M HA -0.193 4.270 4.480 -0.028 0.000 0.262 112 M C 2.427 178.866 176.300 0.231 0.000 1.065 112 M CA 1.393 56.847 55.300 0.256 0.000 1.114 112 M CB -0.218 32.349 32.600 -0.055 0.000 1.361 112 M HN -0.051 nan 8.290 nan 0.000 0.408 113 K N 0.453 120.933 120.400 0.133 0.000 2.026 113 K HA -0.235 4.069 4.320 -0.028 0.000 0.208 113 K C 2.160 178.836 176.600 0.126 0.000 1.048 113 K CA 1.642 57.989 56.287 0.101 0.000 0.929 113 K CB -0.052 32.484 32.500 0.060 0.000 0.713 113 K HN -0.013 nan 8.250 nan 0.000 0.439 114 R N 0.765 121.343 120.500 0.131 0.000 2.081 114 R HA -0.033 4.291 4.340 -0.028 0.000 0.235 114 R C 1.944 178.317 176.300 0.122 0.000 1.131 114 R CA 1.852 58.013 56.100 0.101 0.000 0.960 114 R CB -0.875 29.469 30.300 0.073 0.000 0.856 114 R HN 0.329 nan 8.270 nan 0.000 0.436 115 A N 0.422 123.370 122.820 0.213 0.000 1.902 115 A HA -0.077 4.226 4.320 -0.028 0.000 0.217 115 A C 2.291 180.010 177.584 0.225 0.000 1.181 115 A CA 1.478 53.637 52.037 0.203 0.000 0.623 115 A CB -0.596 18.622 19.000 0.364 0.000 0.818 115 A HN 0.361 nan 8.150 nan 0.000 0.443 116 L N -0.976 120.447 121.223 0.333 0.000 2.046 116 L HA -0.251 4.072 4.340 -0.028 0.000 0.208 116 L C 2.885 179.836 176.870 0.135 0.000 1.077 116 L CA 1.600 56.593 54.840 0.255 0.000 0.747 116 L CB -0.566 41.611 42.059 0.196 0.000 0.896 116 L HN 0.475 nan 8.230 nan 0.000 0.432 117 Q N -0.238 119.625 119.800 0.105 0.000 2.170 117 Q HA -0.171 4.152 4.340 -0.028 0.000 0.203 117 Q C 2.082 178.111 176.000 0.049 0.000 0.976 117 Q CA 1.204 57.046 55.803 0.065 0.000 0.858 117 Q CB -0.055 28.713 28.738 0.051 0.000 0.907 117 Q HN 0.517 nan 8.270 nan 0.000 0.433 118 L N 0.318 121.568 121.223 0.046 0.000 2.591 118 L HA 0.044 4.367 4.340 -0.028 0.000 0.228 118 L C -0.152 176.732 176.870 0.022 0.000 1.133 118 L CA 0.056 54.908 54.840 0.020 0.000 0.880 118 L CB 0.079 42.135 42.059 -0.005 0.000 1.033 118 L HN 0.105 nan 8.230 nan 0.000 0.450 119 K N 1.537 121.964 120.400 0.046 0.000 3.653 119 K HA -0.192 4.111 4.320 -0.028 0.000 0.275 119 K C 0.140 176.753 176.600 0.021 0.000 0.962 119 K CA 0.332 56.649 56.287 0.049 0.000 0.773 119 K CB -1.780 30.748 32.500 0.046 0.000 1.463 119 K HN 0.471 nan 8.250 nan 0.000 0.450 120 I N -2.578 117.984 120.570 -0.013 0.000 3.060 120 I HA 0.008 4.162 4.170 -0.028 0.000 0.285 120 I C 1.801 177.890 176.117 -0.047 0.000 1.190 120 I CA -0.384 60.876 61.300 -0.067 0.000 1.363 120 I CB 0.702 38.595 38.000 -0.177 0.000 1.396 120 I HN 0.202 nan 8.210 nan 0.000 0.607 121 K N 1.643 122.019 120.400 -0.040 0.000 2.009 121 K HA -0.071 4.232 4.320 -0.028 0.000 0.210 121 K C 0.031 176.625 176.600 -0.010 0.000 1.049 121 K CA 1.634 57.915 56.287 -0.010 0.000 0.929 121 K CB 0.000 32.486 32.500 -0.025 0.000 0.714 121 K HN 0.790 nan 8.250 nan 0.000 0.440 122 C N -1.250 118.019 119.300 -0.052 0.000 3.302 122 C HA 0.423 4.867 4.460 -0.028 0.000 0.347 122 C C -1.777 173.182 174.990 -0.051 0.000 1.218 122 C CA -1.250 57.782 59.018 0.024 0.000 1.234 122 C CB 0.506 28.345 27.740 0.164 0.000 1.551 122 C HN 0.287 nan 8.230 nan 0.000 0.501 123 F N 4.106 124.102 119.950 0.076 0.000 2.405 123 F HA 0.400 4.911 4.527 -0.028 0.000 0.355 123 F C 0.689 176.514 175.800 0.042 0.000 1.121 123 F CA -0.151 57.877 58.000 0.047 0.000 1.112 123 F CB 0.942 39.919 39.000 -0.038 0.000 1.126 123 F HN 0.460 nan 8.300 nan 0.000 0.481 124 N N 3.568 122.383 118.700 0.191 0.000 2.521 124 N HA 0.202 4.925 4.740 -0.028 0.000 0.236 124 N C -0.749 174.811 175.510 0.083 0.000 1.067 124 N CA -0.138 52.997 53.050 0.141 0.000 0.939 124 N CB 1.308 39.880 38.487 0.141 0.000 1.201 124 N HN 0.198 nan 8.380 nan 0.000 0.511 125 V N 2.110 122.052 119.914 0.047 0.000 2.498 125 V HA 0.119 4.222 4.120 -0.028 0.000 0.279 125 V C 1.337 177.415 176.094 -0.026 0.000 1.048 125 V CA -0.185 62.107 62.300 -0.014 0.000 0.967 125 V CB 1.605 33.396 31.823 -0.054 0.000 0.988 125 V HN 0.505 nan 8.190 nan 0.000 0.473 126 E N 2.183 122.371 120.200 -0.019 0.000 2.476 126 E HA 0.149 4.482 4.350 -0.028 0.000 0.199 126 E C 0.465 177.052 176.600 -0.021 0.000 1.021 126 E CA 0.300 56.701 56.400 0.002 0.000 0.907 126 E CB 1.045 30.780 29.700 0.057 0.000 0.974 126 E HN 0.818 nan 8.360 nan 0.000 0.489 127 S N -1.321 114.350 115.700 -0.049 0.000 2.588 127 S HA 0.298 4.751 4.470 -0.028 0.000 0.269 127 S C 0.517 175.073 174.600 -0.074 0.000 1.157 127 S CA -0.789 57.377 58.200 -0.058 0.000 0.824 127 S CB 1.648 64.818 63.200 -0.050 0.000 1.126 127 S HN -0.118 nan 8.310 nan 0.000 0.464 128 E N 0.600 120.756 120.200 -0.072 0.000 2.072 128 E HA -0.040 4.293 4.350 -0.028 0.000 0.191 128 E C -1.058 175.499 176.600 -0.071 0.000 0.985 128 E CA 1.306 57.660 56.400 -0.076 0.000 0.801 128 E CB -1.092 28.568 29.700 -0.066 0.000 0.750 128 E HN 0.505 nan 8.360 nan 0.000 0.452 129 P HA -0.193 nan 4.420 nan 0.000 0.216 129 P C 1.205 178.462 177.300 -0.071 0.000 1.150 129 P CA 1.233 64.297 63.100 -0.060 0.000 0.837 129 P CB 0.005 31.674 31.700 -0.052 0.000 0.786 130 E N -0.576 119.578 120.200 -0.077 0.000 2.110 130 E HA -0.189 4.145 4.350 -0.028 0.000 0.193 130 E C 1.856 178.386 176.600 -0.116 0.000 0.988 130 E CA 0.715 57.058 56.400 -0.094 0.000 0.804 130 E CB -0.502 29.144 29.700 -0.090 0.000 0.745 130 E HN 0.007 nan 8.360 nan 0.000 0.458 131 L N 1.262 122.420 121.223 -0.109 0.000 2.046 131 L HA -0.226 4.097 4.340 -0.028 0.000 0.208 131 L C 2.308 179.112 176.870 -0.111 0.000 1.077 131 L CA 1.734 56.503 54.840 -0.118 0.000 0.747 131 L CB -0.393 41.599 42.059 -0.112 0.000 0.896 131 L HN 0.140 nan 8.230 nan 0.000 0.432 132 Q N -0.514 119.231 119.800 -0.092 0.000 2.084 132 Q HA -0.242 4.081 4.340 -0.028 0.000 0.202 132 Q C 2.404 178.351 176.000 -0.088 0.000 0.978 132 Q CA 1.750 57.505 55.803 -0.080 0.000 0.844 132 Q CB -0.429 28.270 28.738 -0.064 0.000 0.898 132 Q HN 0.568 nan 8.270 nan 0.000 0.426 133 R N 0.417 120.860 120.500 -0.096 0.000 2.081 133 R HA -0.139 4.184 4.340 -0.028 0.000 0.235 133 R C 2.279 178.498 176.300 -0.135 0.000 1.131 133 R CA 0.908 56.948 56.100 -0.100 0.000 0.960 133 R CB -0.238 30.005 30.300 -0.095 0.000 0.856 133 R HN 0.173 nan 8.270 nan 0.000 0.436 134 L N 1.602 122.713 121.223 -0.185 0.000 2.046 134 L HA -0.143 4.180 4.340 -0.028 0.000 0.208 134 L C 1.855 178.601 176.870 -0.206 0.000 1.077 134 L CA 2.061 56.738 54.840 -0.272 0.000 0.747 134 L CB -0.866 40.964 42.059 -0.382 0.000 0.896 134 L HN 0.247 nan 8.230 nan 0.000 0.432 135 N N -0.182 118.428 118.700 -0.150 0.000 2.120 135 N HA -0.278 4.445 4.740 -0.028 0.000 0.188 135 N C 1.969 177.427 175.510 -0.086 0.000 1.024 135 N CA 1.857 54.844 53.050 -0.106 0.000 0.852 135 N CB -0.214 38.224 38.487 -0.082 0.000 1.003 135 N HN 0.439 nan 8.380 nan 0.000 0.424 136 K N -0.200 120.150 120.400 -0.084 0.000 2.026 136 K HA -0.075 4.228 4.320 -0.028 0.000 0.208 136 K C 1.686 178.248 176.600 -0.062 0.000 1.048 136 K CA 1.381 57.629 56.287 -0.064 0.000 0.929 136 K CB -0.152 32.313 32.500 -0.058 0.000 0.713 136 K HN 0.050 nan 8.250 nan 0.000 0.439 137 V N 1.290 121.156 119.914 -0.080 0.000 2.358 137 V HA -0.205 3.898 4.120 -0.028 0.000 0.246 137 V C 2.462 178.519 176.094 -0.062 0.000 1.047 137 V CA 1.905 64.164 62.300 -0.069 0.000 1.035 137 V CB -0.637 31.135 31.823 -0.085 0.000 0.658 137 V HN 0.517 nan 8.190 nan 0.000 0.452 138 A N 0.600 123.368 122.820 -0.087 0.000 1.902 138 A HA -0.097 4.206 4.320 -0.028 0.000 0.217 138 A C 2.420 179.981 177.584 -0.038 0.000 1.181 138 A CA 1.933 53.931 52.037 -0.063 0.000 0.623 138 A CB -1.217 17.733 19.000 -0.084 0.000 0.818 138 A HN 0.527 nan 8.150 nan 0.000 0.443 139 G N -0.406 108.369 108.800 -0.043 0.000 2.418 139 G HA2 -0.220 3.724 3.960 -0.028 0.000 0.217 139 G HA3 -0.220 3.724 3.960 -0.028 0.000 0.217 139 G C 1.413 176.300 174.900 -0.022 0.000 1.158 139 G CA 1.036 46.118 45.100 -0.031 0.000 0.771 139 G HN 0.671 nan 8.290 nan 0.000 0.545 140 E N -0.089 120.097 120.200 -0.024 0.000 2.106 140 E HA 0.038 4.371 4.350 -0.028 0.000 0.192 140 E C 2.324 178.919 176.600 -0.008 0.000 0.984 140 E CA 0.380 56.771 56.400 -0.015 0.000 0.806 140 E CB -0.123 29.567 29.700 -0.016 0.000 0.750 140 E HN 0.382 nan 8.360 nan 0.000 0.458 141 L N -0.254 120.965 121.223 -0.007 0.000 2.554 141 L HA 0.136 4.459 4.340 -0.028 0.000 0.226 141 L C 1.159 178.032 176.870 0.004 0.000 1.137 141 L CA 0.224 55.065 54.840 0.002 0.000 0.863 141 L CB -0.107 41.958 42.059 0.009 0.000 0.985 141 L HN 0.242 nan 8.230 nan 0.000 0.451 142 G N 1.319 110.119 108.800 -0.001 0.000 2.273 142 G HA2 -0.224 3.719 3.960 -0.028 0.000 0.280 142 G HA3 -0.224 3.719 3.960 -0.028 0.000 0.280 142 G C 0.060 174.965 174.900 0.007 0.000 1.047 142 G CA 0.449 45.550 45.100 0.001 0.000 0.869 142 G HN 0.312 nan 8.290 nan 0.000 0.502 143 V N -4.834 115.084 119.914 0.007 0.000 3.156 143 V HA 0.916 5.020 4.120 -0.028 0.000 0.311 143 V C -0.091 176.011 176.094 0.013 0.000 1.208 143 V CA -1.832 60.479 62.300 0.018 0.000 1.063 143 V CB 1.895 33.735 31.823 0.029 0.000 1.098 143 V HN 0.215 nan 8.190 nan 0.000 0.452 144 K N 1.417 121.834 120.400 0.028 0.000 2.307 144 K HA 0.771 5.074 4.320 -0.028 0.000 0.263 144 K C -0.415 176.204 176.600 0.031 0.000 0.973 144 K CA -0.289 56.015 56.287 0.028 0.000 0.846 144 K CB 1.867 34.399 32.500 0.053 0.000 1.100 144 K HN 1.059 nan 8.250 nan 0.000 0.438 145 A N 5.077 127.896 122.820 -0.001 0.000 2.362 145 A HA 0.337 4.640 4.320 -0.028 0.000 0.276 145 A C -2.213 175.383 177.584 0.020 0.000 1.153 145 A CA -1.498 50.543 52.037 0.006 0.000 0.813 145 A CB -0.134 18.773 19.000 -0.155 0.000 1.081 145 A HN 0.413 nan 8.150 nan 0.000 0.507 146 P HA 0.381 nan 4.420 nan 0.000 0.282 146 P C -0.894 176.444 177.300 0.063 0.000 1.262 146 P CA 0.100 63.085 63.100 -0.192 0.000 0.773 146 P CB 0.762 32.216 31.700 -0.409 0.000 0.879 147 I N -0.157 120.449 120.570 0.059 0.000 2.730 147 I HA 0.788 4.941 4.170 -0.028 0.000 0.298 147 I C -0.776 175.439 176.117 0.164 0.000 1.089 147 I CA -1.056 60.324 61.300 0.133 0.000 1.041 147 I CB 2.398 40.432 38.000 0.057 0.000 1.235 147 I HN 0.195 nan 8.210 nan 0.000 0.423 148 S N 5.065 120.863 115.700 0.163 0.000 2.536 148 S HA 0.779 5.232 4.470 -0.028 0.000 0.287 148 S C -1.047 173.593 174.600 0.067 0.000 1.101 148 S CA -0.711 57.586 58.200 0.162 0.000 0.950 148 S CB 0.943 64.283 63.200 0.234 0.000 1.056 148 S HN 0.704 nan 8.310 nan 0.000 0.481 149 L N 3.495 124.716 121.223 -0.004 0.000 2.307 149 L HA 0.588 4.911 4.340 -0.028 0.000 0.282 149 L C 0.264 177.128 176.870 -0.010 0.000 1.051 149 L CA -0.951 53.813 54.840 -0.127 0.000 0.804 149 L CB 1.206 42.983 42.059 -0.470 0.000 1.197 149 L HN 0.627 nan 8.230 nan 0.000 0.431 150 R N 3.873 124.358 120.500 -0.025 0.000 2.248 150 R HA 0.335 4.659 4.340 -0.028 0.000 0.337 150 R C -0.961 175.327 176.300 -0.021 0.000 1.085 150 R CA -0.023 56.061 56.100 -0.026 0.000 0.934 150 R CB -0.080 30.191 30.300 -0.050 0.000 1.034 150 R HN 0.349 nan 8.270 nan 0.000 0.465 151 I N 4.219 124.801 120.570 0.019 0.000 2.354 151 I HA 0.242 4.395 4.170 -0.028 0.000 0.292 151 I C 0.015 176.183 176.117 0.086 0.000 0.989 151 I CA -0.951 60.383 61.300 0.056 0.000 1.188 151 I CB 1.361 39.417 38.000 0.093 0.000 1.342 151 I HN 0.698 nan 8.210 nan 0.000 0.457 152 N N 7.464 126.220 118.700 0.094 0.000 2.458 152 N HA 0.129 4.852 4.740 -0.028 0.000 0.258 152 N C -2.326 173.279 175.510 0.159 0.000 1.219 152 N CA -0.809 52.299 53.050 0.097 0.000 0.902 152 N CB 0.273 38.812 38.487 0.086 0.000 1.076 152 N HN 0.365 nan 8.380 nan 0.000 0.455 153 P HA -0.027 nan 4.420 nan 0.000 0.269 153 P C -0.687 176.552 177.300 -0.103 0.000 1.209 153 P CA 0.051 63.160 63.100 0.015 0.000 0.776 153 P CB 0.528 32.214 31.700 -0.023 0.000 0.876 154 D N 2.213 122.357 120.400 -0.426 0.000 2.551 154 D HA 0.123 4.747 4.640 -0.028 0.000 0.223 154 D C -0.352 175.757 176.300 -0.319 0.000 1.144 154 D CA -0.066 53.577 54.000 -0.595 0.000 1.025 154 D CB -0.686 39.234 40.800 -1.468 0.000 1.085 154 D HN -0.081 nan 8.370 nan 0.000 0.506 155 V N 2.676 122.493 119.914 -0.162 0.000 2.614 155 V HA 0.046 4.149 4.120 -0.028 0.000 0.291 155 V C 0.740 176.808 176.094 -0.043 0.000 1.049 155 V CA -0.585 61.656 62.300 -0.099 0.000 1.038 155 V CB 1.400 33.188 31.823 -0.058 0.000 0.980 155 V HN 0.391 nan 8.190 nan 0.000 0.481 156 D N 3.521 123.926 120.400 0.007 0.000 2.338 156 D HA 0.269 4.893 4.640 -0.028 0.000 0.255 156 D C 0.935 177.291 176.300 0.094 0.000 1.237 156 D CA 0.292 54.321 54.000 0.047 0.000 0.883 156 D CB 1.677 42.518 40.800 0.070 0.000 1.087 156 D HN 0.606 nan 8.370 nan 0.000 0.485 157 A N 5.183 128.037 122.820 0.057 0.000 1.978 157 A HA -0.209 4.094 4.320 -0.028 0.000 0.220 157 A C 2.009 179.624 177.584 0.053 0.000 1.170 157 A CA 1.298 53.371 52.037 0.059 0.000 0.636 157 A CB -0.200 18.822 19.000 0.037 0.000 0.810 157 A HN 0.646 nan 8.150 nan 0.000 0.448 158 K N -0.821 119.603 120.400 0.040 0.000 2.057 158 K HA -0.116 4.187 4.320 -0.028 0.000 0.207 158 K C 2.209 178.808 176.600 -0.001 0.000 1.049 158 K CA 1.840 58.139 56.287 0.021 0.000 0.931 158 K CB -0.297 32.212 32.500 0.016 0.000 0.714 158 K HN 0.732 nan 8.250 nan 0.000 0.440 159 T N -2.533 112.023 114.554 0.003 0.000 3.044 159 T HA -0.010 4.324 4.350 -0.028 0.000 0.255 159 T C 0.537 175.031 174.700 -0.343 0.000 1.073 159 T CA 0.387 62.412 62.100 -0.126 0.000 1.125 159 T CB -0.030 68.796 68.868 -0.069 0.000 0.908 159 T HN 0.147 nan 8.240 nan 0.000 0.480 160 H N 1.483 120.578 119.070 0.041 0.000 2.439 160 H HA 0.369 4.908 4.556 -0.028 0.000 0.230 160 H C -2.047 173.324 175.328 0.071 0.000 1.420 160 H CA -1.822 54.264 56.048 0.063 0.000 1.305 160 H CB 1.233 31.032 29.762 0.061 0.000 1.667 160 H HN 0.189 nan 8.280 nan 0.000 0.515 161 P HA -0.260 nan 4.420 nan 0.000 0.215 161 P C 1.431 178.812 177.300 0.135 0.000 1.153 161 P CA 1.303 64.468 63.100 0.108 0.000 0.853 161 P CB 0.379 32.127 31.700 0.082 0.000 0.788 162 Y N 0.620 120.954 120.300 0.056 0.000 2.145 162 Y HA -0.141 4.392 4.550 -0.028 0.000 0.286 162 Y C 2.445 178.382 175.900 0.062 0.000 1.145 162 Y CA 1.443 59.574 58.100 0.052 0.000 1.148 162 Y CB -0.958 37.531 38.460 0.047 0.000 0.981 162 Y HN -0.254 nan 8.280 nan 0.000 0.507 163 I N -1.006 119.687 120.570 0.206 0.000 2.286 163 I HA -0.336 3.817 4.170 -0.028 0.000 0.248 163 I C 2.767 178.892 176.117 0.014 0.000 1.115 163 I CA 1.615 62.977 61.300 0.104 0.000 1.392 163 I CB -0.589 37.506 38.000 0.158 0.000 1.065 163 I HN 0.229 nan 8.210 nan 0.000 0.418 164 S N 0.164 115.889 115.700 0.042 0.000 2.348 164 S HA -0.207 4.246 4.470 -0.028 0.000 0.221 164 S C 2.102 176.687 174.600 -0.027 0.000 1.033 164 S CA 2.343 60.554 58.200 0.017 0.000 1.010 164 S CB -0.336 62.889 63.200 0.042 0.000 0.891 164 S HN 0.422 nan 8.310 nan 0.000 0.442 165 T N 0.989 115.506 114.554 -0.062 0.000 2.720 165 T HA -0.039 4.294 4.350 -0.028 0.000 0.268 165 T C 1.852 176.470 174.700 -0.136 0.000 1.037 165 T CA 1.418 63.459 62.100 -0.098 0.000 1.144 165 T CB -1.141 67.651 68.868 -0.127 0.000 0.864 165 T HN 0.584 nan 8.240 nan 0.000 0.444 166 G N 1.246 109.916 108.800 -0.217 0.000 2.446 166 G HA2 -0.156 3.788 3.960 -0.028 0.000 0.217 166 G HA3 -0.156 3.788 3.960 -0.028 0.000 0.217 166 G C 1.521 176.377 174.900 -0.074 0.000 1.168 166 G CA 0.574 45.562 45.100 -0.188 0.000 0.771 166 G HN 0.423 nan 8.290 nan 0.000 0.551 167 L N -0.271 120.928 121.223 -0.040 0.000 1.994 167 L HA -0.073 4.250 4.340 -0.028 0.000 0.208 167 L C 3.240 180.113 176.870 0.005 0.000 1.071 167 L CA 1.290 56.132 54.840 0.003 0.000 0.745 167 L CB -0.375 41.693 42.059 0.015 0.000 0.892 167 L HN 0.160 nan 8.230 nan 0.000 0.431 168 R N -0.213 120.284 120.500 -0.004 0.000 2.117 168 R HA -0.165 4.158 4.340 -0.028 0.000 0.243 168 R C 1.007 177.299 176.300 -0.013 0.000 1.143 168 R CA 1.378 57.478 56.100 0.000 0.000 0.968 168 R CB -0.278 30.021 30.300 -0.001 0.000 0.863 168 R HN 0.401 nan 8.270 nan 0.000 0.444 169 D N 0.313 120.695 120.400 -0.030 0.000 2.342 169 D HA 0.007 4.630 4.640 -0.028 0.000 0.221 169 D C -0.112 176.161 176.300 -0.044 0.000 1.101 169 D CA 0.033 54.010 54.000 -0.039 0.000 0.837 169 D CB -0.151 40.620 40.800 -0.048 0.000 0.938 169 D HN 0.452 nan 8.370 nan 0.000 0.508 170 N N -0.147 118.536 118.700 -0.029 0.000 2.463 170 N HA 0.068 4.791 4.740 -0.028 0.000 0.270 170 N C 1.173 176.632 175.510 -0.084 0.000 1.205 170 N CA -0.675 52.352 53.050 -0.038 0.000 0.974 170 N CB 1.217 39.720 38.487 0.026 0.000 1.197 170 N HN -0.195 nan 8.380 nan 0.000 0.504 171 K N -0.267 120.009 120.400 -0.206 0.000 2.365 171 K HA 0.008 4.311 4.320 -0.028 0.000 0.199 171 K C -0.510 175.884 176.600 -0.342 0.000 1.045 171 K CA 0.470 56.563 56.287 -0.324 0.000 0.962 171 K CB -0.184 32.028 32.500 -0.480 0.000 0.759 171 K HN 0.333 nan 8.250 nan 0.000 0.469 172 F N 2.063 121.993 119.950 -0.032 0.000 2.394 172 F HA 0.422 4.933 4.527 -0.028 0.000 0.340 172 F C 1.371 177.138 175.800 -0.054 0.000 1.105 172 F CA 0.521 58.494 58.000 -0.045 0.000 1.124 172 F CB 1.026 39.995 39.000 -0.052 0.000 1.145 172 F HN 0.391 nan 8.300 nan 0.000 0.505 173 G N 3.044 111.929 108.800 0.141 0.000 2.697 173 G HA2 -0.231 3.713 3.960 -0.028 0.000 0.240 173 G HA3 -0.231 3.713 3.960 -0.028 0.000 0.240 173 G C -1.050 173.858 174.900 0.014 0.000 1.346 173 G CA -0.656 44.473 45.100 0.048 0.000 0.887 173 G HN 0.679 nan 8.290 nan 0.000 0.569 174 I N 1.123 121.693 120.570 -0.000 0.000 2.465 174 I HA 0.427 4.581 4.170 -0.028 0.000 0.291 174 I C 1.124 177.253 176.117 0.019 0.000 1.014 174 I CA -0.310 60.983 61.300 -0.012 0.000 1.093 174 I CB 2.180 40.148 38.000 -0.052 0.000 1.267 174 I HN 0.929 nan 8.210 nan 0.000 0.431 175 T N 1.344 115.915 114.554 0.028 0.000 2.932 175 T HA 0.035 4.368 4.350 -0.028 0.000 0.312 175 T C 0.925 175.686 174.700 0.101 0.000 1.071 175 T CA -0.064 62.079 62.100 0.072 0.000 1.128 175 T CB 0.664 69.566 68.868 0.057 0.000 0.984 175 T HN 0.474 nan 8.240 nan 0.000 0.549 176 F N 2.204 122.157 119.950 0.006 0.000 2.126 176 F HA -0.153 4.357 4.527 -0.028 0.000 0.299 176 F C 2.322 178.130 175.800 0.013 0.000 1.096 176 F CA 2.378 60.385 58.000 0.011 0.000 1.255 176 F CB -0.249 38.753 39.000 0.004 0.000 0.997 176 F HN 0.834 nan 8.300 nan 0.000 0.479 177 D N -0.415 120.090 120.400 0.175 0.000 2.309 177 D HA -0.195 4.428 4.640 -0.028 0.000 0.212 177 D C 1.708 178.005 176.300 -0.005 0.000 0.968 177 D CA 0.959 55.008 54.000 0.081 0.000 0.882 177 D CB -0.631 40.222 40.800 0.087 0.000 0.918 177 D HN 0.371 nan 8.370 nan 0.000 0.503 178 R N -0.197 120.290 120.500 -0.023 0.000 2.362 178 R HA 0.351 4.674 4.340 -0.028 0.000 0.227 178 R C 2.018 178.277 176.300 -0.068 0.000 0.905 178 R CA 0.391 56.467 56.100 -0.039 0.000 1.067 178 R CB 0.402 30.685 30.300 -0.028 0.000 1.078 178 R HN 0.138 nan 8.270 nan 0.000 0.516 179 A N 1.673 124.421 122.820 -0.119 0.000 1.859 179 A HA -0.222 4.081 4.320 -0.028 0.000 0.217 179 A C 2.345 179.944 177.584 0.024 0.000 1.198 179 A CA 2.091 54.071 52.037 -0.095 0.000 0.629 179 A CB -0.658 18.175 19.000 -0.279 0.000 0.830 179 A HN 0.351 nan 8.150 nan 0.000 0.446 180 A N -1.063 121.726 122.820 -0.051 0.000 1.908 180 A HA -0.267 4.036 4.320 -0.028 0.000 0.218 180 A C 2.237 179.833 177.584 0.020 0.000 1.181 180 A CA 2.048 54.080 52.037 -0.010 0.000 0.627 180 A CB -0.678 18.280 19.000 -0.070 0.000 0.818 180 A HN 0.715 nan 8.150 nan 0.000 0.445 181 Q N -0.297 119.497 119.800 -0.011 0.000 2.061 181 Q HA -0.145 4.178 4.340 -0.028 0.000 0.204 181 Q C 1.915 177.905 176.000 -0.016 0.000 0.984 181 Q CA 2.188 57.984 55.803 -0.012 0.000 0.846 181 Q CB -0.195 28.530 28.738 -0.022 0.000 0.902 181 Q HN 0.438 nan 8.270 nan 0.000 0.421 182 V N -0.045 119.841 119.914 -0.048 0.000 2.548 182 V HA -0.215 3.888 4.120 -0.028 0.000 0.249 182 V C 1.739 177.756 176.094 -0.128 0.000 1.055 182 V CA 1.519 63.756 62.300 -0.106 0.000 1.065 182 V CB -0.770 30.954 31.823 -0.164 0.000 0.681 182 V HN 0.408 nan 8.190 nan 0.000 0.462 183 Y N 0.703 120.967 120.300 -0.060 0.000 2.224 183 Y HA -0.203 4.330 4.550 -0.028 0.000 0.289 183 Y C 2.769 178.656 175.900 -0.021 0.000 1.146 183 Y CA 1.651 59.718 58.100 -0.053 0.000 1.182 183 Y CB -0.196 38.206 38.460 -0.095 0.000 0.983 183 Y HN 0.109 nan 8.280 nan 0.000 0.524 184 R N -0.612 119.958 120.500 0.118 0.000 2.096 184 R HA -0.182 4.141 4.340 -0.028 0.000 0.235 184 R C 2.099 178.463 176.300 0.106 0.000 1.127 184 R CA 1.414 57.578 56.100 0.106 0.000 0.968 184 R CB -0.600 29.734 30.300 0.056 0.000 0.861 184 R HN 0.267 nan 8.270 nan 0.000 0.440 185 L N 0.729 121.978 121.223 0.043 0.000 2.017 185 L HA -0.094 4.229 4.340 -0.028 0.000 0.208 185 L C 2.213 179.094 176.870 0.018 0.000 1.073 185 L CA 2.045 56.892 54.840 0.012 0.000 0.745 185 L CB -0.732 41.312 42.059 -0.026 0.000 0.894 185 L HN 0.131 nan 8.230 nan 0.000 0.432 186 A N -1.317 121.514 122.820 0.019 0.000 1.902 186 A HA -0.316 3.988 4.320 -0.028 0.000 0.217 186 A C 2.308 179.948 177.584 0.094 0.000 1.181 186 A CA 1.824 53.877 52.037 0.027 0.000 0.623 186 A CB -1.140 17.862 19.000 0.004 0.000 0.818 186 A HN 0.745 nan 8.150 nan 0.000 0.443 187 H N 0.969 120.058 119.070 0.032 0.000 2.421 187 H HA -0.106 4.433 4.556 -0.028 0.000 0.298 187 H C 2.290 177.625 175.328 0.013 0.000 1.087 187 H CA 2.093 58.159 56.048 0.030 0.000 1.330 187 H CB -0.132 29.645 29.762 0.024 0.000 1.388 187 H HN 0.535 nan 8.280 nan 0.000 0.526 188 S N -0.357 115.321 115.700 -0.037 0.000 2.489 188 S HA 0.014 4.467 4.470 -0.028 0.000 0.228 188 S C 0.754 175.305 174.600 -0.081 0.000 0.995 188 S CA 0.025 58.166 58.200 -0.098 0.000 0.934 188 S CB -0.236 62.944 63.200 -0.033 0.000 0.771 188 S HN 0.274 nan 8.310 nan 0.000 0.522 189 L N 3.001 124.194 121.223 -0.051 0.000 2.261 189 L HA 0.359 4.682 4.340 -0.028 0.000 0.289 189 L C -1.481 175.365 176.870 -0.040 0.000 1.059 189 L CA -2.008 52.806 54.840 -0.043 0.000 0.816 189 L CB 1.234 43.270 42.059 -0.037 0.000 1.191 189 L HN 0.053 nan 8.230 nan 0.000 0.431 190 P HA -0.097 nan 4.420 nan 0.000 0.226 190 P C 0.426 177.717 177.300 -0.014 0.000 1.153 190 P CA 1.030 64.112 63.100 -0.030 0.000 0.777 190 P CB 0.213 31.895 31.700 -0.031 0.000 0.794 191 N N -0.818 117.870 118.700 -0.021 0.000 2.314 191 N HA 0.156 4.880 4.740 -0.028 0.000 0.200 191 N C 0.215 175.711 175.510 -0.024 0.000 1.135 191 N CA 0.067 53.105 53.050 -0.020 0.000 0.835 191 N CB -0.027 38.441 38.487 -0.032 0.000 0.989 191 N HN 0.169 nan 8.380 nan 0.000 0.478 192 L N -0.488 120.728 121.223 -0.011 0.000 2.333 192 L HA 0.485 4.808 4.340 -0.028 0.000 0.269 192 L C -0.929 175.972 176.870 0.051 0.000 1.010 192 L CA -0.962 53.878 54.840 0.000 0.000 0.818 192 L CB 1.852 43.905 42.059 -0.010 0.000 1.306 192 L HN -0.090 nan 8.230 nan 0.000 0.430 193 D N 1.255 121.704 120.400 0.082 0.000 2.476 193 D HA 0.262 4.885 4.640 -0.028 0.000 0.251 193 D C -0.930 175.523 176.300 0.256 0.000 1.291 193 D CA -0.335 53.770 54.000 0.175 0.000 0.939 193 D CB 1.927 42.845 40.800 0.196 0.000 1.221 193 D HN 0.053 nan 8.370 nan 0.000 0.567 194 V N 5.628 125.704 119.914 0.270 0.000 2.450 194 V HA 0.086 4.189 4.120 -0.028 0.000 0.281 194 V C 1.253 177.560 176.094 0.355 0.000 1.019 194 V CA 0.514 62.984 62.300 0.283 0.000 1.062 194 V CB 0.520 32.495 31.823 0.253 0.000 0.979 194 V HN 0.659 nan 8.190 nan 0.000 0.477 195 H N 2.820 121.941 119.070 0.084 0.000 2.800 195 H HA 0.348 4.888 4.556 -0.028 0.000 0.257 195 H C 1.047 176.192 175.328 -0.306 0.000 0.967 195 H CA 0.428 56.483 56.048 0.013 0.000 1.192 195 H CB 1.765 31.632 29.762 0.175 0.000 1.441 195 H HN 0.719 nan 8.280 nan 0.000 0.461 196 G N 0.487 109.163 108.800 -0.206 0.000 2.866 196 G HA2 0.524 4.467 3.960 -0.028 0.000 0.289 196 G HA3 0.524 4.467 3.960 -0.028 0.000 0.289 196 G C -1.828 173.052 174.900 -0.034 0.000 1.396 196 G CA -0.528 44.264 45.100 -0.515 0.000 0.848 196 G HN 0.107 nan 8.290 nan 0.000 0.515 197 I N -0.114 120.450 120.570 -0.010 0.000 2.582 197 I HA 0.497 4.650 4.170 -0.028 0.000 0.292 197 I C -1.830 174.378 176.117 0.151 0.000 1.066 197 I CA -0.823 60.563 61.300 0.144 0.000 1.053 197 I CB 2.493 40.543 38.000 0.083 0.000 1.241 197 I HN 0.395 nan 8.210 nan 0.000 0.421 198 D N 6.943 127.442 120.400 0.165 0.000 2.461 198 D HA 0.326 4.949 4.640 -0.028 0.000 0.240 198 D C -1.640 174.755 176.300 0.158 0.000 1.094 198 D CA -0.005 54.105 54.000 0.184 0.000 0.868 198 D CB 1.236 42.135 40.800 0.165 0.000 1.062 198 D HN 0.486 nan 8.370 nan 0.000 0.530 199 C N 5.835 125.262 119.300 0.211 0.000 2.407 199 C HA 0.365 4.808 4.460 -0.028 0.000 0.328 199 C C 0.106 175.255 174.990 0.266 0.000 1.137 199 C CA -0.599 58.527 59.018 0.179 0.000 1.390 199 C CB -0.208 27.617 27.740 0.143 0.000 1.989 199 C HN 0.660 nan 8.230 nan 0.000 0.432 200 H N 6.381 125.473 119.070 0.036 0.000 3.319 200 H HA 0.052 4.591 4.556 -0.028 0.000 0.213 200 H C 1.744 177.102 175.328 0.050 0.000 1.782 200 H CA 0.031 56.100 56.048 0.034 0.000 1.339 200 H CB 0.281 30.048 29.762 0.009 0.000 1.651 200 H HN 0.847 nan 8.280 nan 0.000 0.622 201 I N -2.303 118.353 120.570 0.143 0.000 2.479 201 I HA -0.149 4.004 4.170 -0.028 0.000 0.258 201 I C 1.941 178.212 176.117 0.257 0.000 1.165 201 I CA 1.649 62.990 61.300 0.069 0.000 1.422 201 I CB -0.142 37.775 38.000 -0.139 0.000 1.087 201 I HN 0.265 nan 8.210 nan 0.000 0.441 202 G N -0.056 108.944 108.800 0.335 0.000 3.126 202 G HA2 0.104 4.047 3.960 -0.028 0.000 0.224 202 G HA3 0.104 4.047 3.960 -0.028 0.000 0.224 202 G C 1.292 176.220 174.900 0.046 0.000 1.142 202 G CA 0.234 45.504 45.100 0.284 0.000 0.759 202 G HN 0.403 nan 8.290 nan 0.000 0.550 203 S N 0.589 116.339 115.700 0.084 0.000 2.522 203 S HA 0.077 4.530 4.470 -0.028 0.000 0.227 203 S C 0.878 175.500 174.600 0.036 0.000 0.986 203 S CA 0.401 58.629 58.200 0.047 0.000 0.929 203 S CB 0.069 63.324 63.200 0.091 0.000 0.769 203 S HN 0.278 nan 8.310 nan 0.000 0.529 204 Q N 1.154 120.982 119.800 0.047 0.000 2.278 204 Q HA 0.329 4.652 4.340 -0.028 0.000 0.257 204 Q C -0.533 175.480 176.000 0.021 0.000 0.928 204 Q CA -0.154 55.673 55.803 0.041 0.000 0.932 204 Q CB 1.120 29.882 28.738 0.040 0.000 1.221 204 Q HN 0.355 nan 8.270 nan 0.000 0.434 205 L N 2.589 123.827 121.223 0.026 0.000 2.774 205 L HA 0.018 4.341 4.340 -0.028 0.000 0.279 205 L C 0.648 177.551 176.870 0.055 0.000 1.137 205 L CA 0.599 55.452 54.840 0.022 0.000 1.021 205 L CB -0.357 41.727 42.059 0.042 0.000 1.366 205 L HN 0.444 nan 8.230 nan 0.000 0.471 206 T N 2.085 116.676 114.554 0.061 0.000 2.900 206 T HA 0.685 5.018 4.350 -0.028 0.000 0.303 206 T C -0.236 174.591 174.700 0.212 0.000 1.142 206 T CA -0.286 61.878 62.100 0.106 0.000 1.007 206 T CB 1.489 70.379 68.868 0.037 0.000 1.156 206 T HN 0.525 nan 8.240 nan 0.000 0.490 207 A N 2.500 125.437 122.820 0.195 0.000 2.327 207 A HA 0.491 4.794 4.320 -0.028 0.000 0.255 207 A C 1.453 179.135 177.584 0.163 0.000 1.099 207 A CA -0.335 51.805 52.037 0.172 0.000 0.801 207 A CB -0.132 18.944 19.000 0.127 0.000 1.062 207 A HN 0.900 nan 8.150 nan 0.000 0.496 208 L N 1.069 122.275 121.223 -0.028 0.000 2.012 208 L HA -0.132 4.191 4.340 -0.028 0.000 0.210 208 L C 2.674 179.589 176.870 0.075 0.000 1.073 208 L CA 2.917 57.673 54.840 -0.140 0.000 0.748 208 L CB -1.171 40.709 42.059 -0.298 0.000 0.891 208 L HN 0.802 nan 8.230 nan 0.000 0.431 209 A N 0.448 123.304 122.820 0.059 0.000 1.859 209 A HA -0.163 4.140 4.320 -0.028 0.000 0.217 209 A C 0.065 177.711 177.584 0.104 0.000 1.198 209 A CA 2.240 54.321 52.037 0.074 0.000 0.629 209 A CB -2.297 16.739 19.000 0.061 0.000 0.830 209 A HN 0.491 nan 8.150 nan 0.000 0.446 210 P HA -0.182 nan 4.420 nan 0.000 0.215 210 P C 1.627 178.971 177.300 0.073 0.000 1.153 210 P CA 1.321 64.469 63.100 0.080 0.000 0.853 210 P CB -0.303 31.410 31.700 0.021 0.000 0.788 211 F N 0.982 120.937 119.950 0.009 0.000 2.065 211 F HA -0.226 4.285 4.527 -0.028 0.000 0.298 211 F C 2.243 178.054 175.800 0.019 0.000 1.112 211 F CA 1.647 59.674 58.000 0.046 0.000 1.212 211 F CB -0.933 38.182 39.000 0.191 0.000 0.975 211 F HN -0.282 nan 8.300 nan 0.000 0.476 212 I N 0.240 120.908 120.570 0.163 0.000 2.179 212 I HA -0.305 3.848 4.170 -0.028 0.000 0.242 212 I C 2.070 178.146 176.117 -0.068 0.000 1.088 212 I CA 1.590 62.906 61.300 0.026 0.000 1.357 212 I CB -0.684 37.373 38.000 0.096 0.000 1.051 212 I HN 0.121 nan 8.210 nan 0.000 0.409 213 D N 1.071 121.449 120.400 -0.038 0.000 2.117 213 D HA -0.153 4.470 4.640 -0.028 0.000 0.197 213 D C 2.254 178.480 176.300 -0.123 0.000 0.987 213 D CA 1.601 55.566 54.000 -0.059 0.000 0.829 213 D CB -0.171 40.613 40.800 -0.027 0.000 0.961 213 D HN 0.361 nan 8.370 nan 0.000 0.460 214 A N 0.182 122.901 122.820 -0.169 0.000 1.933 214 A HA -0.147 4.156 4.320 -0.028 0.000 0.218 214 A C 2.368 179.785 177.584 -0.279 0.000 1.175 214 A CA 1.944 53.832 52.037 -0.249 0.000 0.628 214 A CB -0.783 18.071 19.000 -0.244 0.000 0.814 214 A HN 0.201 nan 8.150 nan 0.000 0.444 215 T N 0.129 114.490 114.554 -0.322 0.000 2.777 215 T HA -0.111 4.222 4.350 -0.028 0.000 0.266 215 T C 1.530 176.136 174.700 -0.157 0.000 1.040 215 T CA 1.445 63.365 62.100 -0.299 0.000 1.141 215 T CB -0.397 68.226 68.868 -0.410 0.000 0.868 215 T HN 0.437 nan 8.240 nan 0.000 0.444 216 D N 0.977 121.303 120.400 -0.123 0.000 2.123 216 D HA -0.055 4.568 4.640 -0.028 0.000 0.196 216 D C 2.389 178.660 176.300 -0.048 0.000 0.992 216 D CA 0.980 54.941 54.000 -0.065 0.000 0.833 216 D CB -0.177 40.595 40.800 -0.046 0.000 0.954 216 D HN 0.326 nan 8.370 nan 0.000 0.455 217 R N -0.133 120.317 120.500 -0.083 0.000 2.092 217 R HA -0.070 4.253 4.340 -0.028 0.000 0.231 217 R C 2.309 178.665 176.300 0.093 0.000 1.119 217 R CA 0.390 56.459 56.100 -0.050 0.000 0.970 217 R CB -0.402 29.775 30.300 -0.206 0.000 0.864 217 R HN 0.152 nan 8.270 nan 0.000 0.440 218 L N 1.287 122.534 121.223 0.040 0.000 2.042 218 L HA -0.156 4.167 4.340 -0.028 0.000 0.210 218 L C 1.906 178.837 176.870 0.101 0.000 1.076 218 L CA 1.708 56.672 54.840 0.207 0.000 0.749 218 L CB -0.385 41.728 42.059 0.090 0.000 0.893 218 L HN 0.117 nan 8.230 nan 0.000 0.432 219 L N -0.535 120.699 121.223 0.018 0.000 2.093 219 L HA -0.145 4.178 4.340 -0.028 0.000 0.208 219 L C 2.683 179.538 176.870 -0.025 0.000 1.085 219 L CA 1.073 55.902 54.840 -0.019 0.000 0.755 219 L CB -0.941 41.098 42.059 -0.034 0.000 0.904 219 L HN 0.405 nan 8.230 nan 0.000 0.435 220 A N -0.027 122.797 122.820 0.006 0.000 1.930 220 A HA -0.195 4.108 4.320 -0.028 0.000 0.217 220 A C 2.193 179.775 177.584 -0.003 0.000 1.175 220 A CA 1.417 53.455 52.037 0.003 0.000 0.627 220 A CB -0.554 18.461 19.000 0.025 0.000 0.815 220 A HN 0.321 nan 8.150 nan 0.000 0.443 221 L N 0.169 121.415 121.223 0.038 0.000 2.017 221 L HA -0.109 4.214 4.340 -0.028 0.000 0.208 221 L C 2.193 178.986 176.870 -0.129 0.000 1.073 221 L CA 1.766 56.581 54.840 -0.043 0.000 0.745 221 L CB -0.534 41.485 42.059 -0.066 0.000 0.894 221 L HN 0.429 nan 8.230 nan 0.000 0.432 222 I N -0.133 120.367 120.570 -0.116 0.000 2.208 222 I HA -0.324 3.829 4.170 -0.028 0.000 0.245 222 I C 2.064 178.088 176.117 -0.156 0.000 1.097 222 I CA 1.568 62.770 61.300 -0.164 0.000 1.363 222 I CB -0.588 37.340 38.000 -0.121 0.000 1.051 222 I HN 0.344 nan 8.210 nan 0.000 0.413 223 D N 0.428 120.755 120.400 -0.122 0.000 2.117 223 D HA -0.138 4.485 4.640 -0.028 0.000 0.198 223 D C 2.387 178.624 176.300 -0.104 0.000 0.982 223 D CA 1.863 55.795 54.000 -0.113 0.000 0.828 223 D CB -0.247 40.494 40.800 -0.099 0.000 0.967 223 D HN 0.375 nan 8.370 nan 0.000 0.464 224 S N 0.423 116.064 115.700 -0.099 0.000 2.402 224 S HA -0.083 4.370 4.470 -0.028 0.000 0.229 224 S C 2.284 176.799 174.600 -0.141 0.000 1.021 224 S CA 0.508 58.650 58.200 -0.096 0.000 0.974 224 S CB -0.648 62.507 63.200 -0.075 0.000 0.800 224 S HN 0.207 nan 8.310 nan 0.000 0.484 225 L N 1.310 122.418 121.223 -0.192 0.000 2.056 225 L HA -0.028 4.295 4.340 -0.028 0.000 0.207 225 L C 2.953 179.651 176.870 -0.288 0.000 1.078 225 L CA 1.609 56.291 54.840 -0.264 0.000 0.749 225 L CB -0.496 41.342 42.059 -0.368 0.000 0.901 225 L HN 0.352 nan 8.230 nan 0.000 0.433 226 K N 0.608 120.868 120.400 -0.233 0.000 2.032 226 K HA -0.234 4.069 4.320 -0.028 0.000 0.209 226 K C 2.054 178.550 176.600 -0.174 0.000 1.048 226 K CA 1.657 57.824 56.287 -0.200 0.000 0.927 226 K CB -0.115 32.352 32.500 -0.056 0.000 0.712 226 K HN 0.286 nan 8.250 nan 0.000 0.441 227 A N 0.997 123.748 122.820 -0.115 0.000 2.019 227 A HA -0.163 4.140 4.320 -0.028 0.000 0.219 227 A C 1.756 179.278 177.584 -0.104 0.000 1.164 227 A CA 1.515 53.508 52.037 -0.073 0.000 0.644 227 A CB -0.338 18.630 19.000 -0.053 0.000 0.805 227 A HN 0.566 nan 8.150 nan 0.000 0.449 228 E N -1.150 118.952 120.200 -0.164 0.000 2.476 228 E HA 0.245 4.578 4.350 -0.028 0.000 0.191 228 E C 1.060 177.499 176.600 -0.268 0.000 1.064 228 E CA 0.403 56.696 56.400 -0.178 0.000 0.866 228 E CB -0.311 29.281 29.700 -0.180 0.000 0.952 228 E HN 0.671 nan 8.360 nan 0.000 0.492 229 G N 1.026 109.618 108.800 -0.347 0.000 2.176 229 G HA2 -0.260 3.684 3.960 -0.028 0.000 0.253 229 G HA3 -0.260 3.684 3.960 -0.028 0.000 0.253 229 G C 0.227 174.688 174.900 -0.732 0.000 0.979 229 G CA 0.196 45.031 45.100 -0.442 0.000 0.641 229 G HN 0.286 nan 8.290 nan 0.000 0.530 230 I N 2.868 122.997 120.570 -0.734 0.000 2.307 230 I HA 0.298 4.451 4.170 -0.028 0.000 0.287 230 I C -0.034 175.772 176.117 -0.518 0.000 1.054 230 I CA -0.825 60.130 61.300 -0.576 0.000 1.218 230 I CB 0.591 38.312 38.000 -0.465 0.000 1.398 230 I HN 0.042 nan 8.210 nan 0.000 0.475 231 H N 7.475 126.476 119.070 -0.114 0.000 2.690 231 H HA 0.410 4.949 4.556 -0.028 0.000 0.289 231 H C -0.068 175.192 175.328 -0.114 0.000 1.089 231 H CA -0.400 55.584 56.048 -0.108 0.000 1.299 231 H CB 1.205 30.924 29.762 -0.072 0.000 1.405 231 H HN 0.451 nan 8.280 nan 0.000 0.463 232 I N 4.266 124.797 120.570 -0.064 0.000 2.325 232 I HA 0.100 4.253 4.170 -0.028 0.000 0.291 232 I C 1.399 177.474 176.117 -0.070 0.000 1.019 232 I CA -0.153 61.078 61.300 -0.116 0.000 1.302 232 I CB 0.878 38.754 38.000 -0.207 0.000 1.401 232 I HN 0.549 nan 8.210 nan 0.000 0.485 233 R N 5.696 126.148 120.500 -0.079 0.000 2.365 233 R HA 0.232 4.555 4.340 -0.028 0.000 0.223 233 R C 0.213 176.565 176.300 0.086 0.000 0.899 233 R CA -0.124 55.972 56.100 -0.006 0.000 1.059 233 R CB 0.161 30.458 30.300 -0.005 0.000 1.086 233 R HN 0.707 nan 8.270 nan 0.000 0.522 234 H N -0.800 118.310 119.070 0.066 0.000 3.012 234 H HA 0.482 5.021 4.556 -0.028 0.000 0.367 234 H C -1.887 173.482 175.328 0.069 0.000 1.211 234 H CA -1.326 54.767 56.048 0.076 0.000 1.139 234 H CB 1.907 31.724 29.762 0.091 0.000 1.838 234 H HN 0.007 nan 8.280 nan 0.000 0.550 235 L N 2.260 123.608 121.223 0.209 0.000 2.349 235 L HA 0.367 4.690 4.340 -0.028 0.000 0.278 235 L C -1.124 175.817 176.870 0.119 0.000 0.996 235 L CA -0.284 54.630 54.840 0.123 0.000 0.825 235 L CB 1.669 43.756 42.059 0.047 0.000 1.243 235 L HN 0.730 nan 8.230 nan 0.000 0.412 236 D N 3.653 124.144 120.400 0.151 0.000 2.392 236 D HA 0.235 4.859 4.640 -0.028 0.000 0.228 236 D C 0.658 176.989 176.300 0.051 0.000 1.074 236 D CA -0.225 53.827 54.000 0.087 0.000 0.838 236 D CB 1.791 42.694 40.800 0.172 0.000 1.067 236 D HN 0.464 nan 8.370 nan 0.000 0.511 237 V N 2.005 121.863 119.914 -0.094 0.000 3.596 237 V HA 0.466 4.570 4.120 -0.028 0.000 0.289 237 V C 1.223 177.173 176.094 -0.240 0.000 1.336 237 V CA 0.544 62.797 62.300 -0.078 0.000 1.137 237 V CB -0.751 31.015 31.823 -0.095 0.000 0.966 237 V HN 0.736 nan 8.190 nan 0.000 0.428 238 G N 0.421 108.973 108.800 -0.413 0.000 2.562 238 G HA2 0.043 3.986 3.960 -0.028 0.000 0.250 238 G HA3 0.043 3.986 3.960 -0.028 0.000 0.250 238 G C 0.329 175.078 174.900 -0.251 0.000 1.269 238 G CA -0.041 44.620 45.100 -0.732 0.000 0.919 238 G HN 1.478 nan 8.290 nan 0.000 0.574 239 G N -2.305 106.364 108.800 -0.218 0.000 2.531 239 G HA2 0.687 4.630 3.960 -0.028 0.000 0.313 239 G HA3 0.687 4.630 3.960 -0.028 0.000 0.313 239 G C 1.461 176.377 174.900 0.026 0.000 1.238 239 G CA 1.257 46.337 45.100 -0.034 0.000 0.994 239 G HN 2.563 nan 8.290 nan 0.000 0.493 240 G N -1.132 107.711 108.800 0.072 0.000 2.383 240 G HA2 -0.268 3.675 3.960 -0.028 0.000 0.229 240 G HA3 -0.268 3.675 3.960 -0.028 0.000 0.229 240 G C 0.882 175.817 174.900 0.058 0.000 1.089 240 G CA 0.352 45.482 45.100 0.050 0.000 0.640 240 G HN 0.852 nan 8.290 nan 0.000 0.510 241 L N 3.130 124.427 121.223 0.123 0.000 2.544 241 L HA 0.404 4.727 4.340 -0.028 0.000 0.240 241 L C 1.885 178.774 176.870 0.032 0.000 1.421 241 L CA 0.064 54.965 54.840 0.102 0.000 1.206 241 L CB -0.901 41.312 42.059 0.256 0.000 1.463 241 L HN 0.449 nan 8.230 nan 0.000 0.437 242 G N 0.123 108.923 108.800 0.000 0.000 2.468 242 G HA2 0.270 4.214 3.960 -0.028 0.000 0.264 242 G HA3 0.270 4.214 3.960 -0.028 0.000 0.264 242 G C -0.406 174.273 174.900 -0.369 0.000 1.460 242 G CA -0.241 44.792 45.100 -0.111 0.000 1.060 242 G HN 0.104 nan 8.290 nan 0.000 0.543 243 V N -1.435 118.250 119.914 -0.381 0.000 2.769 243 V HA 0.602 4.705 4.120 -0.028 0.000 0.312 243 V C -0.585 175.279 176.094 -0.384 0.000 1.061 243 V CA -0.766 61.251 62.300 -0.473 0.000 0.931 243 V CB 2.147 33.571 31.823 -0.665 0.000 1.010 243 V HN 0.438 nan 8.190 nan 0.000 0.433 244 V N 7.294 127.024 119.914 -0.308 0.000 2.364 244 V HA 0.406 4.509 4.120 -0.028 0.000 0.272 244 V C -0.387 175.579 176.094 -0.213 0.000 1.036 244 V CA -0.330 61.870 62.300 -0.167 0.000 0.880 244 V CB 0.804 32.578 31.823 -0.082 0.000 0.991 244 V HN 0.850 nan 8.190 nan 0.000 0.460 252 Q N 2.060 121.757 119.800 -0.171 0.000 2.205 252 Q HA 0.591 4.915 4.340 -0.028 0.000 0.249 252 Q C -2.434 173.428 176.000 -0.230 0.000 0.948 252 Q CA -1.587 54.111 55.803 -0.174 0.000 0.895 252 Q CB 1.088 29.756 28.738 -0.115 0.000 1.249 252 Q HN 0.261 nan 8.270 nan 0.000 0.458 253 P HA -0.012 nan 4.420 nan 0.000 0.270 253 P C -0.623 176.570 177.300 -0.177 0.000 1.223 253 P CA -0.206 62.736 63.100 -0.264 0.000 0.785 253 P CB 0.659 32.216 31.700 -0.237 0.000 0.923 254 S N 0.152 115.760 115.700 -0.154 0.000 2.580 254 S HA -0.038 4.416 4.470 -0.028 0.000 0.266 254 S C 1.334 175.895 174.600 -0.065 0.000 1.354 254 S CA 0.013 58.175 58.200 -0.064 0.000 1.008 254 S CB 0.230 63.442 63.200 0.021 0.000 0.898 254 S HN 0.455 nan 8.310 nan 0.000 0.555 255 E N 0.644 120.783 120.200 -0.102 0.000 2.153 255 E HA -0.069 4.265 4.350 -0.028 0.000 0.194 255 E C 1.299 177.748 176.600 -0.251 0.000 0.988 255 E CA 1.487 57.767 56.400 -0.200 0.000 0.811 255 E CB -0.483 29.046 29.700 -0.286 0.000 0.746 255 E HN 0.804 nan 8.360 nan 0.000 0.466 256 Y N -0.148 119.992 120.300 -0.266 0.000 2.114 256 Y HA -0.166 4.368 4.550 -0.028 0.000 0.284 256 Y C 2.345 178.165 175.900 -0.134 0.000 1.143 256 Y CA 1.217 59.022 58.100 -0.491 0.000 1.135 256 Y CB -0.809 37.141 38.460 -0.850 0.000 0.980 256 Y HN 0.128 nan 8.280 nan 0.000 0.499 257 A N 0.170 123.041 122.820 0.084 0.000 1.908 257 A HA -0.271 4.032 4.320 -0.028 0.000 0.218 257 A C 2.196 179.813 177.584 0.055 0.000 1.181 257 A CA 2.100 54.196 52.037 0.098 0.000 0.627 257 A CB -0.708 18.284 19.000 -0.014 0.000 0.818 257 A HN 0.462 nan 8.150 nan 0.000 0.445 258 K N -0.405 119.993 120.400 -0.005 0.000 2.097 258 K HA -0.012 4.291 4.320 -0.028 0.000 0.205 258 K C 2.114 178.721 176.600 0.011 0.000 1.050 258 K CA 1.152 57.427 56.287 -0.020 0.000 0.938 258 K CB -0.331 32.139 32.500 -0.051 0.000 0.718 258 K HN 0.349 nan 8.250 nan 0.000 0.442 259 A N 1.225 124.072 122.820 0.045 0.000 1.902 259 A HA -0.150 4.153 4.320 -0.028 0.000 0.217 259 A C 2.024 179.673 177.584 0.109 0.000 1.181 259 A CA 1.397 53.486 52.037 0.087 0.000 0.623 259 A CB -0.650 18.442 19.000 0.153 0.000 0.818 259 A HN 0.394 nan 8.150 nan 0.000 0.443 260 L N -0.106 121.222 121.223 0.176 0.000 1.994 260 L HA -0.101 4.222 4.340 -0.028 0.000 0.208 260 L C 2.272 179.129 176.870 -0.022 0.000 1.071 260 L CA 1.764 56.661 54.840 0.097 0.000 0.745 260 L CB -0.733 41.423 42.059 0.161 0.000 0.892 260 L HN 0.399 nan 8.230 nan 0.000 0.431 261 L N -0.522 120.674 121.223 -0.045 0.000 2.042 261 L HA -0.228 4.095 4.340 -0.028 0.000 0.210 261 L C 2.275 179.090 176.870 -0.091 0.000 1.076 261 L CA 1.340 56.092 54.840 -0.147 0.000 0.749 261 L CB -0.896 41.100 42.059 -0.105 0.000 0.893 261 L HN 0.294 nan 8.230 nan 0.000 0.432 262 D N 0.015 120.397 120.400 -0.029 0.000 2.149 262 D HA -0.173 4.450 4.640 -0.028 0.000 0.198 262 D C 2.362 178.666 176.300 0.006 0.000 0.990 262 D CA 1.236 55.233 54.000 -0.005 0.000 0.839 262 D CB -0.044 40.758 40.800 0.004 0.000 0.948 262 D HN 0.285 nan 8.370 nan 0.000 0.460 263 R N -0.332 120.169 120.500 0.000 0.000 2.100 263 R HA 0.158 4.481 4.340 -0.028 0.000 0.220 263 R C 2.465 178.789 176.300 0.041 0.000 1.091 263 R CA 0.265 56.378 56.100 0.021 0.000 0.986 263 R CB -0.083 30.222 30.300 0.008 0.000 0.888 263 R HN 0.163 nan 8.270 nan 0.000 0.444 264 L N 1.289 122.499 121.223 -0.022 0.000 2.156 264 L HA -0.129 4.195 4.340 -0.028 0.000 0.208 264 L C 2.190 179.161 176.870 0.168 0.000 1.095 264 L CA 1.206 56.049 54.840 0.004 0.000 0.770 264 L CB -0.437 41.453 42.059 -0.282 0.000 0.914 264 L HN 0.337 nan 8.230 nan 0.000 0.439 265 E N -0.029 120.238 120.200 0.111 0.000 2.472 265 E HA -0.194 4.139 4.350 -0.028 0.000 0.200 265 E C 1.940 178.631 176.600 0.151 0.000 1.046 265 E CA 0.330 56.861 56.400 0.219 0.000 0.871 265 E CB 0.054 29.841 29.700 0.145 0.000 0.806 265 E HN 0.327 nan 8.360 nan 0.000 0.533 266 R N 0.440 121.012 120.500 0.121 0.000 2.057 266 R HA -0.011 4.312 4.340 -0.028 0.000 0.229 266 R C 1.707 177.971 176.300 -0.059 0.000 1.136 266 R CA 1.988 58.098 56.100 0.017 0.000 0.952 266 R CB -0.616 29.688 30.300 0.005 0.000 0.848 266 R HN 0.383 nan 8.270 nan 0.000 0.430 267 H N -1.180 117.938 119.070 0.079 0.000 2.370 267 H HA 0.255 4.795 4.556 -0.028 0.000 0.304 267 H C 0.368 175.745 175.328 0.081 0.000 1.055 267 H CA 0.957 57.045 56.048 0.067 0.000 1.373 267 H CB 0.184 29.980 29.762 0.058 0.000 1.423 267 H HN 0.034 nan 8.280 nan 0.000 0.533 268 R N 1.416 122.085 120.500 0.281 0.000 3.531 268 R HA -0.164 4.159 4.340 -0.028 0.000 0.280 268 R C -0.922 175.420 176.300 0.070 0.000 1.130 268 R CA 0.875 57.088 56.100 0.188 0.000 0.757 268 R CB -1.646 28.698 30.300 0.073 0.000 1.218 268 R HN 0.621 nan 8.270 nan 0.000 0.454 269 D N -0.474 120.005 120.400 0.131 0.000 2.398 269 D HA 0.152 4.775 4.640 -0.028 0.000 0.210 269 D C 0.401 176.743 176.300 0.070 0.000 1.094 269 D CA -0.009 54.032 54.000 0.069 0.000 0.839 269 D CB 0.292 41.133 40.800 0.069 0.000 0.963 269 D HN 0.309 nan 8.370 nan 0.000 0.506 270 L N 1.194 122.498 121.223 0.135 0.000 2.305 270 L HA 0.323 4.646 4.340 -0.028 0.000 0.284 270 L C 0.147 177.148 176.870 0.219 0.000 1.013 270 L CA -0.901 54.033 54.840 0.156 0.000 0.819 270 L CB 2.207 44.361 42.059 0.159 0.000 1.227 270 L HN -0.004 nan 8.230 nan 0.000 0.417 271 E N 3.152 123.459 120.200 0.178 0.000 2.344 271 E HA 0.168 4.501 4.350 -0.028 0.000 0.270 271 E C -1.131 175.616 176.600 0.245 0.000 1.021 271 E CA -0.715 55.798 56.400 0.189 0.000 0.887 271 E CB 1.211 30.996 29.700 0.141 0.000 0.997 271 E HN 0.305 nan 8.360 nan 0.000 0.429 272 L N 6.445 127.846 121.223 0.297 0.000 2.275 272 L HA 0.419 4.742 4.340 -0.028 0.000 0.288 272 L C -0.982 175.912 176.870 0.040 0.000 1.046 272 L CA -0.195 54.722 54.840 0.129 0.000 0.805 272 L CB 0.996 43.123 42.059 0.113 0.000 1.193 272 L HN 0.515 nan 8.230 nan 0.000 0.426 273 I N 5.444 125.959 120.570 -0.092 0.000 2.404 273 I HA 0.369 4.522 4.170 -0.028 0.000 0.293 273 I C -0.879 175.103 176.117 -0.226 0.000 0.992 273 I CA -0.370 60.900 61.300 -0.051 0.000 1.149 273 I CB 1.191 39.188 38.000 -0.005 0.000 1.315 273 I HN 0.429 nan 8.210 nan 0.000 0.446 274 F N 3.443 123.447 119.950 0.090 0.000 2.492 274 F HA 0.410 4.920 4.527 -0.028 0.000 0.327 274 F C 0.477 176.243 175.800 -0.057 0.000 1.079 274 F CA -0.584 57.449 58.000 0.055 0.000 0.967 274 F CB 1.550 40.664 39.000 0.190 0.000 1.169 274 F HN 0.390 nan 8.300 nan 0.000 0.472 275 E N 2.948 123.198 120.200 0.084 0.000 3.588 275 E HA 0.200 4.534 4.350 -0.028 0.000 0.213 275 E C -2.537 174.000 176.600 -0.106 0.000 1.168 275 E CA -1.757 54.621 56.400 -0.037 0.000 1.254 275 E CB 0.410 30.076 29.700 -0.056 0.000 1.302 275 E HN 0.216 nan 8.360 nan 0.000 0.429 276 P HA 0.108 nan 4.420 nan 0.000 0.275 276 P C 0.165 177.384 177.300 -0.135 0.000 1.228 276 P CA 0.126 63.069 63.100 -0.262 0.000 0.786 276 P CB 2.159 33.418 31.700 -0.736 0.000 0.927 277 G N 2.022 110.782 108.800 -0.068 0.000 2.467 277 G HA2 -0.005 3.938 3.960 -0.028 0.000 0.178 277 G HA3 -0.005 3.938 3.960 -0.028 0.000 0.178 277 G C 1.384 176.316 174.900 0.054 0.000 1.461 277 G CA -0.048 44.992 45.100 -0.100 0.000 0.675 277 G HN 0.442 nan 8.290 nan 0.000 0.659 278 R N 0.634 121.192 120.500 0.097 0.000 2.117 278 R HA -0.058 4.265 4.340 -0.028 0.000 0.243 278 R C 2.605 178.953 176.300 0.081 0.000 1.143 278 R CA 1.852 58.030 56.100 0.130 0.000 0.968 278 R CB -0.358 30.066 30.300 0.207 0.000 0.863 278 R HN 0.314 nan 8.270 nan 0.000 0.444 279 A N 0.294 123.160 122.820 0.076 0.000 2.070 279 A HA -0.096 4.208 4.320 -0.028 0.000 0.220 279 A C 1.960 179.569 177.584 0.043 0.000 1.159 279 A CA 1.162 53.244 52.037 0.076 0.000 0.656 279 A CB -0.220 18.877 19.000 0.162 0.000 0.800 279 A HN 0.378 nan 8.150 nan 0.000 0.453 280 I N -1.856 118.768 120.570 0.089 0.000 2.810 280 I HA 0.018 4.172 4.170 -0.028 0.000 0.262 280 I C 2.610 178.794 176.117 0.112 0.000 1.131 280 I CA 0.897 62.284 61.300 0.146 0.000 1.453 280 I CB -0.045 38.074 38.000 0.198 0.000 1.161 280 I HN 0.277 nan 8.210 nan 0.000 0.444 281 A N 0.448 123.340 122.820 0.119 0.000 2.063 281 A HA 0.310 4.613 4.320 -0.028 0.000 0.211 281 A C 2.385 180.006 177.584 0.061 0.000 1.177 281 A CA 0.874 52.955 52.037 0.074 0.000 0.759 281 A CB -0.361 18.691 19.000 0.088 0.000 0.857 281 A HN 0.302 nan 8.150 nan 0.000 0.468 282 A N 1.353 124.205 122.820 0.053 0.000 1.873 282 A HA -0.262 4.041 4.320 -0.028 0.000 0.218 282 A C 1.703 179.351 177.584 0.108 0.000 1.193 282 A CA 2.009 54.092 52.037 0.078 0.000 0.629 282 A CB -0.857 18.188 19.000 0.075 0.000 0.826 282 A HN 0.647 nan 8.150 nan 0.000 0.447 283 N N -0.304 118.450 118.700 0.090 0.000 2.461 283 N HA 0.244 4.967 4.740 -0.028 0.000 0.188 283 N C 1.239 176.964 175.510 0.358 0.000 1.134 283 N CA 0.495 53.657 53.050 0.187 0.000 0.878 283 N CB -0.031 38.554 38.487 0.163 0.000 0.972 283 N HN 0.499 nan 8.380 nan 0.000 0.456 284 A N 0.250 123.267 122.820 0.329 0.000 2.235 284 A HA 0.286 4.589 4.320 -0.028 0.000 0.208 284 A C 1.015 178.953 177.584 0.590 0.000 1.172 284 A CA 0.332 52.625 52.037 0.427 0.000 0.786 284 A CB -0.026 19.125 19.000 0.251 0.000 0.804 284 A HN 0.248 nan 8.150 nan 0.000 0.479 285 G N -0.930 108.138 108.800 0.447 0.000 2.563 285 G HA2 0.561 4.504 3.960 -0.028 0.000 0.302 285 G HA3 0.561 4.504 3.960 -0.028 0.000 0.302 285 G C -0.880 174.010 174.900 -0.017 0.000 1.301 285 G CA 0.101 45.458 45.100 0.429 0.000 0.965 285 G HN 0.903 nan 8.290 nan 0.000 0.480 286 V N -0.679 119.091 119.914 -0.239 0.000 2.914 286 V HA 0.847 4.950 4.120 -0.028 0.000 0.314 286 V C -0.999 174.965 176.094 -0.216 0.000 1.084 286 V CA -1.308 60.786 62.300 -0.345 0.000 0.963 286 V CB 1.781 33.199 31.823 -0.676 0.000 1.025 286 V HN 0.765 nan 8.190 nan 0.000 0.432 287 L N 3.998 125.067 121.223 -0.256 0.000 2.287 287 L HA 0.716 5.040 4.340 -0.028 0.000 0.287 287 L C -0.359 176.348 176.870 -0.273 0.000 1.022 287 L CA -0.080 54.508 54.840 -0.421 0.000 0.814 287 L CB 1.432 43.186 42.059 -0.508 0.000 1.217 287 L HN 0.671 nan 8.230 nan 0.000 0.420 288 V N 4.488 124.258 119.914 -0.241 0.000 2.432 288 V HA 0.583 4.686 4.120 -0.028 0.000 0.275 288 V C 0.350 176.360 176.094 -0.139 0.000 1.043 288 V CA -0.260 61.947 62.300 -0.156 0.000 0.925 288 V CB 1.191 32.945 31.823 -0.114 0.000 0.985 288 V HN 0.882 nan 8.190 nan 0.000 0.466 289 T N 4.589 119.078 114.554 -0.109 0.000 2.903 289 T HA 0.489 4.823 4.350 -0.028 0.000 0.299 289 T C -0.924 173.729 174.700 -0.078 0.000 1.093 289 T CA -0.740 61.305 62.100 -0.093 0.000 1.002 289 T CB 1.714 70.529 68.868 -0.089 0.000 1.127 289 T HN 0.744 nan 8.240 nan 0.000 0.488 290 K N 2.904 123.256 120.400 -0.080 0.000 2.182 290 K HA 0.663 4.966 4.320 -0.028 0.000 0.262 290 K C -0.891 175.648 176.600 -0.103 0.000 0.957 290 K CA -0.723 55.513 56.287 -0.085 0.000 0.842 290 K CB 1.361 33.809 32.500 -0.086 0.000 1.099 290 K HN 0.432 nan 8.250 nan 0.000 0.438 291 V N 5.143 124.995 119.914 -0.104 0.000 2.470 291 V HA 0.012 4.115 4.120 -0.028 0.000 0.276 291 V C 0.981 176.971 176.094 -0.173 0.000 1.040 291 V CA 0.033 62.261 62.300 -0.120 0.000 1.008 291 V CB 1.035 32.791 31.823 -0.111 0.000 0.990 291 V HN 0.892 nan 8.190 nan 0.000 0.477 292 E N 3.547 123.587 120.200 -0.267 0.000 2.057 292 E HA 0.127 4.460 4.350 -0.028 0.000 0.190 292 E C -0.281 175.953 176.600 -0.610 0.000 0.969 292 E CA 1.166 57.222 56.400 -0.575 0.000 0.812 292 E CB 0.255 29.434 29.700 -0.868 0.000 0.777 292 E HN 0.572 nan 8.360 nan 0.000 0.455 293 F N -0.334 119.613 119.950 -0.004 0.000 2.601 293 F HA 0.410 4.922 4.527 -0.025 0.000 0.309 293 F C -0.366 175.435 175.800 0.002 0.000 1.089 293 F CA -0.815 57.190 58.000 0.008 0.000 0.940 293 F CB 1.221 40.232 39.000 0.018 0.000 1.273 293 F HN -0.243 nan 8.300 nan 0.000 0.450 294 L N 3.006 124.357 121.223 0.213 0.000 2.277 294 L HA 0.457 4.781 4.340 -0.028 0.000 0.284 294 L C -0.292 176.596 176.870 0.029 0.000 1.028 294 L CA -0.513 54.378 54.840 0.084 0.000 0.835 294 L CB 1.417 43.533 42.059 0.095 0.000 1.215 294 L HN 0.559 nan 8.230 nan 0.000 0.425 295 K N 3.655 124.071 120.400 0.027 0.000 2.240 295 K HA 0.380 4.683 4.320 -0.028 0.000 0.271 295 K C -0.926 175.646 176.600 -0.047 0.000 1.018 295 K CA -0.589 55.736 56.287 0.063 0.000 0.874 295 K CB 0.772 33.380 32.500 0.179 0.000 1.098 295 K HN 0.520 nan 8.250 nan 0.000 0.458 296 H N 2.192 121.349 119.070 0.144 0.000 2.457 296 H HA 0.257 4.796 4.556 -0.029 0.000 0.335 296 H C 0.061 175.429 175.328 0.068 0.000 1.115 296 H CA -0.405 55.686 56.048 0.073 0.000 1.219 296 H CB 2.039 31.823 29.762 0.037 0.000 1.471 296 H HN 0.816 nan 8.280 nan 0.000 0.491 301 N N 2.431 120.800 118.700 -0.552 0.000 2.400 301 N HA 0.470 5.193 4.740 -0.028 0.000 0.288 301 N C -1.369 173.846 175.510 -0.491 0.000 1.024 301 N CA -0.164 52.605 53.050 -0.469 0.000 0.894 301 N CB 0.739 38.899 38.487 -0.545 0.000 1.173 301 N HN 0.260 nan 8.380 nan 0.000 0.487 302 F N 0.500 120.494 119.950 0.074 0.000 2.507 302 F HA 0.484 4.993 4.527 -0.029 0.000 0.328 302 F C 0.252 176.122 175.800 0.117 0.000 1.136 302 F CA -1.122 56.946 58.000 0.114 0.000 0.930 302 F CB 1.540 40.574 39.000 0.056 0.000 1.166 302 F HN 0.384 nan 8.300 nan 0.000 0.436 303 A N 5.306 128.279 122.820 0.255 0.000 2.294 303 A HA 0.649 4.952 4.320 -0.028 0.000 0.316 303 A C -0.279 177.362 177.584 0.095 0.000 1.359 303 A CA -0.477 51.582 52.037 0.037 0.000 0.956 303 A CB -0.358 18.521 19.000 -0.203 0.000 1.155 303 A HN 0.759 nan 8.150 nan 0.000 0.544 304 I N 4.726 125.364 120.570 0.114 0.000 2.379 304 I HA 0.199 4.352 4.170 -0.028 0.000 0.290 304 I C 0.351 176.461 176.117 -0.012 0.000 1.063 304 I CA 0.173 61.528 61.300 0.092 0.000 1.351 304 I CB 0.273 38.386 38.000 0.189 0.000 1.410 304 I HN 0.644 nan 8.210 nan 0.000 0.505 305 I N 2.763 123.326 120.570 -0.012 0.000 2.947 305 I HA 0.460 4.614 4.170 -0.028 0.000 0.314 305 I C 0.595 176.677 176.117 -0.058 0.000 1.028 305 I CA -0.774 60.495 61.300 -0.052 0.000 1.077 305 I CB 1.436 39.417 38.000 -0.031 0.000 1.274 305 I HN 0.484 nan 8.210 nan 0.000 0.485 306 D N 1.797 122.153 120.400 -0.074 0.000 2.340 306 D HA 0.143 4.766 4.640 -0.028 0.000 0.220 306 D C 0.564 176.839 176.300 -0.040 0.000 1.039 306 D CA 0.004 53.965 54.000 -0.065 0.000 0.866 306 D CB 0.043 40.796 40.800 -0.079 0.000 0.913 306 D HN 0.650 nan 8.370 nan 0.000 0.523 307 A N 0.112 122.909 122.820 -0.039 0.000 2.301 307 A HA 0.699 5.002 4.320 -0.028 0.000 0.298 307 A C 0.097 177.677 177.584 -0.007 0.000 1.185 307 A CA -0.206 51.811 52.037 -0.033 0.000 0.830 307 A CB 0.883 19.845 19.000 -0.063 0.000 1.112 307 A HN 0.348 nan 8.150 nan 0.000 0.508 308 A N 2.329 125.153 122.820 0.008 0.000 2.347 308 A HA 0.618 4.921 4.320 -0.028 0.000 0.301 308 A C 1.146 178.746 177.584 0.026 0.000 1.163 308 A CA -0.147 51.904 52.037 0.025 0.000 0.860 308 A CB 0.487 19.508 19.000 0.035 0.000 1.367 308 A HN 1.358 nan 8.150 nan 0.000 0.461 309 M N 0.641 120.261 119.600 0.033 0.000 2.202 309 M HA -0.167 4.296 4.480 -0.028 0.000 0.262 309 M C 1.390 177.715 176.300 0.042 0.000 1.063 309 M CA 2.469 57.778 55.300 0.014 0.000 1.097 309 M CB -0.910 31.699 32.600 0.016 0.000 1.382 309 M HN 0.791 nan 8.290 nan 0.000 0.413 310 N N 0.528 119.281 118.700 0.087 0.000 2.381 310 N HA -0.184 4.539 4.740 -0.028 0.000 0.182 310 N C 0.652 176.185 175.510 0.039 0.000 1.025 310 N CA 1.596 54.695 53.050 0.081 0.000 0.888 310 N CB -0.502 38.057 38.487 0.120 0.000 0.965 310 N HN 0.532 nan 8.380 nan 0.000 0.438 311 D N 0.138 120.571 120.400 0.056 0.000 2.262 311 D HA 0.083 4.706 4.640 -0.028 0.000 0.212 311 D C 0.075 176.477 176.300 0.170 0.000 0.964 311 D CA 0.293 54.355 54.000 0.104 0.000 0.875 311 D CB 0.540 41.389 40.800 0.082 0.000 0.996 311 D HN 0.229 nan 8.370 nan 0.000 0.497 312 L N 0.679 121.963 121.223 0.101 0.000 2.596 312 L HA 0.333 4.656 4.340 -0.028 0.000 0.265 312 L C -0.599 176.287 176.870 0.027 0.000 0.962 312 L CA -0.214 54.696 54.840 0.117 0.000 0.891 312 L CB 1.963 44.086 42.059 0.106 0.000 1.248 312 L HN -0.162 nan 8.230 nan 0.000 0.410 313 I N 2.880 123.460 120.570 0.017 0.000 4.018 313 I HA 0.283 4.436 4.170 -0.028 0.000 0.337 313 I C 1.185 177.267 176.117 -0.057 0.000 1.327 313 I CA -0.379 60.897 61.300 -0.040 0.000 1.100 313 I CB -0.042 37.938 38.000 -0.033 0.000 1.025 313 I HN 0.714 nan 8.210 nan 0.000 0.396 323 D N 2.287 122.718 120.400 0.051 0.000 2.389 323 D HA 0.330 4.953 4.640 -0.028 0.000 0.247 323 D C -0.800 175.524 176.300 0.039 0.000 1.128 323 D CA 0.289 54.319 54.000 0.051 0.000 0.884 323 D CB 0.687 41.519 40.800 0.053 0.000 1.194 323 D HN 0.395 nan 8.370 nan 0.000 0.441 324 I N 5.147 125.744 120.570 0.046 0.000 2.411 324 I HA 0.311 4.465 4.170 -0.028 0.000 0.284 324 I C -0.084 176.062 176.117 0.049 0.000 1.012 324 I CA -0.794 60.527 61.300 0.035 0.000 1.119 324 I CB 1.075 39.097 38.000 0.037 0.000 1.261 324 I HN 0.278 nan 8.210 nan 0.000 0.448 325 I N 4.669 125.270 120.570 0.052 0.000 2.785 325 I HA 0.743 4.896 4.170 -0.028 0.000 0.302 325 I C -2.802 173.375 176.117 0.101 0.000 1.069 325 I CA -2.579 58.782 61.300 0.101 0.000 1.045 325 I CB 2.372 40.471 38.000 0.165 0.000 1.236 325 I HN 0.156 nan 8.210 nan 0.000 0.429 326 P HA 0.242 nan 4.420 nan 0.000 0.282 326 P C 0.209 177.623 177.300 0.191 0.000 1.249 326 P CA -0.475 62.697 63.100 0.120 0.000 0.806 326 P CB 1.643 33.398 31.700 0.092 0.000 0.984 327 L N 1.458 122.745 121.223 0.108 0.000 2.093 327 L HA 0.000 4.324 4.340 -0.028 0.000 0.208 327 L C 1.595 178.584 176.870 0.197 0.000 1.085 327 L CA 1.763 56.668 54.840 0.109 0.000 0.755 327 L CB -0.729 41.348 42.059 0.030 0.000 0.904 327 L HN 0.475 nan 8.230 nan 0.000 0.435 328 R N -0.119 120.470 120.500 0.148 0.000 2.487 328 R HA 0.313 4.636 4.340 -0.028 0.000 0.288 328 R C -2.551 173.798 176.300 0.081 0.000 1.394 328 R CA -1.680 54.496 56.100 0.127 0.000 1.155 328 R CB 1.018 31.364 30.300 0.075 0.000 1.156 328 R HN -0.095 nan 8.270 nan 0.000 0.553 329 P HA 0.057 nan 4.420 nan 0.000 0.268 329 P C -0.818 176.479 177.300 -0.006 0.000 1.204 329 P CA 0.030 63.127 63.100 -0.006 0.000 0.768 329 P CB 0.646 32.272 31.700 -0.123 0.000 0.842 330 R N 1.860 122.362 120.500 0.003 0.000 2.486 330 R HA 0.305 4.628 4.340 -0.028 0.000 0.286 330 R C 0.255 176.556 176.300 0.001 0.000 0.999 330 R CA -0.803 55.302 56.100 0.008 0.000 0.993 330 R CB 1.063 31.375 30.300 0.019 0.000 1.084 330 R HN 0.521 nan 8.270 nan 0.000 0.487 331 Q N 1.073 120.874 119.800 0.001 0.000 2.288 331 Q HA 0.431 4.754 4.340 -0.028 0.000 0.254 331 Q C -0.379 175.627 176.000 0.009 0.000 0.932 331 Q CA 0.050 55.852 55.803 -0.001 0.000 0.902 331 Q CB 1.189 29.926 28.738 -0.003 0.000 1.203 331 Q HN 0.856 nan 8.270 nan 0.000 0.415 332 G N 2.772 111.578 108.800 0.010 0.000 2.356 332 G HA2 -0.007 3.936 3.960 -0.028 0.000 0.288 332 G HA3 -0.007 3.936 3.960 -0.028 0.000 0.288 332 G C -1.723 173.188 174.900 0.018 0.000 1.302 332 G CA -0.965 44.145 45.100 0.017 0.000 0.887 332 G HN 0.602 nan 8.290 nan 0.000 0.521 333 E N 0.596 120.809 120.200 0.022 0.000 2.081 333 E HA 0.528 4.861 4.350 -0.028 0.000 0.281 333 E C 0.594 177.215 176.600 0.036 0.000 0.986 333 E CA -0.170 56.242 56.400 0.020 0.000 0.796 333 E CB 1.585 31.291 29.700 0.010 0.000 1.085 333 E HN 0.854 nan 8.360 nan 0.000 0.398 334 A N 4.061 126.906 122.820 0.041 0.000 2.565 334 A HA -0.038 4.266 4.320 -0.028 0.000 0.237 334 A C 0.132 177.747 177.584 0.051 0.000 1.053 334 A CA 0.433 52.511 52.037 0.068 0.000 0.755 334 A CB 0.278 19.314 19.000 0.060 0.000 0.980 334 A HN 0.650 nan 8.150 nan 0.000 0.506 335 Q N 0.199 120.049 119.800 0.084 0.000 2.241 335 Q HA 0.473 4.797 4.340 -0.028 0.000 0.262 335 Q C -0.573 175.339 176.000 -0.146 0.000 1.014 335 Q CA -0.573 55.187 55.803 -0.071 0.000 0.885 335 Q CB 1.812 30.452 28.738 -0.162 0.000 1.311 335 Q HN 0.726 nan 8.270 nan 0.000 0.461 336 T N 1.854 116.233 114.554 -0.291 0.000 2.771 336 T HA 0.454 4.787 4.350 -0.028 0.000 0.291 336 T C -1.254 173.200 174.700 -0.409 0.000 0.954 336 T CA -0.067 61.903 62.100 -0.216 0.000 1.045 336 T CB 0.066 68.847 68.868 -0.145 0.000 0.917 336 T HN 0.265 nan 8.240 nan 0.000 0.484 337 Y N 0.779 121.051 120.300 -0.048 0.000 2.545 337 Y HA 0.452 4.987 4.550 -0.025 0.000 0.348 337 Y C -0.094 175.776 175.900 -0.050 0.000 1.002 337 Y CA -1.393 56.664 58.100 -0.073 0.000 1.039 337 Y CB 1.572 40.016 38.460 -0.027 0.000 1.271 337 Y HN 0.454 nan 8.280 nan 0.000 0.467 338 D N 1.712 122.185 120.400 0.122 0.000 2.193 338 D HA 0.435 5.058 4.640 -0.028 0.000 0.244 338 D C -1.226 175.219 176.300 0.242 0.000 1.064 338 D CA -0.366 53.724 54.000 0.149 0.000 0.845 338 D CB 1.555 42.450 40.800 0.158 0.000 1.148 338 D HN 0.238 nan 8.370 nan 0.000 0.464 339 L N 2.616 123.960 121.223 0.202 0.000 2.257 339 L HA 0.389 4.713 4.340 -0.028 0.000 0.290 339 L C -0.098 176.906 176.870 0.224 0.000 1.044 339 L CA -0.753 54.194 54.840 0.178 0.000 0.810 339 L CB 1.163 43.294 42.059 0.119 0.000 1.193 339 L HN 0.175 nan 8.230 nan 0.000 0.425 340 V N 0.287 120.321 119.914 0.201 0.000 2.680 340 V HA 1.016 5.119 4.120 -0.028 0.000 0.309 340 V C 0.367 176.531 176.094 0.116 0.000 1.052 340 V CA -0.469 61.947 62.300 0.192 0.000 0.908 340 V CB 1.304 33.217 31.823 0.149 0.000 1.001 340 V HN 0.667 nan 8.190 nan 0.000 0.431 341 G N 2.567 111.428 108.800 0.102 0.000 2.535 341 G HA2 0.612 4.555 3.960 -0.028 0.000 0.282 341 G HA3 0.612 4.555 3.960 -0.028 0.000 0.282 341 G C -1.865 173.063 174.900 0.046 0.000 1.350 341 G CA -0.887 44.247 45.100 0.057 0.000 1.039 341 G HN 0.670 nan 8.290 nan 0.000 0.509 342 P HA 0.117 nan 4.420 nan 0.000 0.245 342 P C 0.551 177.863 177.300 0.020 0.000 1.203 342 P CA -0.208 62.908 63.100 0.027 0.000 0.792 342 P CB 0.174 31.881 31.700 0.010 0.000 0.997 343 V N 0.690 120.620 119.914 0.026 0.000 2.872 343 V HA -0.074 4.029 4.120 -0.028 0.000 0.307 343 V C 1.121 177.236 176.094 0.035 0.000 1.072 343 V CA 0.220 62.533 62.300 0.022 0.000 1.148 343 V CB 0.083 31.955 31.823 0.082 0.000 0.954 343 V HN 0.132 nan 8.190 nan 0.000 0.490 344 C N 4.473 123.787 119.300 0.022 0.000 3.089 344 C HA 0.315 4.758 4.460 -0.028 0.000 0.548 344 C C 0.468 175.500 174.990 0.069 0.000 1.205 344 C CA -0.438 58.598 59.018 0.030 0.000 1.398 344 C CB -2.354 25.391 27.740 0.009 0.000 1.764 344 C HN 0.787 nan 8.230 nan 0.000 0.638 345 E N -0.316 119.938 120.200 0.090 0.000 2.317 345 E HA 0.246 4.579 4.350 -0.028 0.000 0.270 345 E C 0.777 177.437 176.600 0.101 0.000 0.885 345 E CA -0.154 56.312 56.400 0.110 0.000 0.760 345 E CB 1.371 31.163 29.700 0.153 0.000 1.227 345 E HN 0.368 nan 8.360 nan 0.000 0.434 346 T N -2.301 112.312 114.554 0.097 0.000 2.995 346 T HA -0.124 4.209 4.350 -0.028 0.000 0.269 346 T C 1.455 176.286 174.700 0.219 0.000 1.091 346 T CA 1.295 63.464 62.100 0.115 0.000 1.128 346 T CB -0.086 68.832 68.868 0.084 0.000 0.891 346 T HN 0.327 nan 8.240 nan 0.000 0.492 347 S N 0.674 116.491 115.700 0.195 0.000 2.593 347 S HA 0.101 4.554 4.470 -0.028 0.000 0.217 347 S C 0.518 175.172 174.600 0.090 0.000 0.966 347 S CA -0.180 58.151 58.200 0.218 0.000 0.914 347 S CB -0.456 62.791 63.200 0.079 0.000 0.776 347 S HN 0.423 nan 8.310 nan 0.000 0.523 348 D N 1.739 122.232 120.400 0.155 0.000 2.551 348 D HA 0.362 4.985 4.640 -0.028 0.000 0.223 348 D C -0.451 175.960 176.300 0.185 0.000 1.144 348 D CA -0.487 53.569 54.000 0.093 0.000 1.025 348 D CB -0.804 40.058 40.800 0.103 0.000 1.085 348 D HN 0.467 nan 8.370 nan 0.000 0.506 349 F N 0.080 120.059 119.950 0.050 0.000 2.662 349 F HA 0.455 4.965 4.527 -0.029 0.000 0.312 349 F C -0.861 174.971 175.800 0.053 0.000 1.113 349 F CA -1.098 56.936 58.000 0.056 0.000 0.951 349 F CB 0.616 39.658 39.000 0.070 0.000 1.344 349 F HN -0.166 nan 8.300 nan 0.000 0.462 350 L N 1.605 122.973 121.223 0.242 0.000 2.717 350 L HA 0.672 4.996 4.340 -0.028 0.000 0.239 350 L C 0.590 177.611 176.870 0.251 0.000 1.086 350 L CA 0.283 55.198 54.840 0.125 0.000 0.897 350 L CB 0.685 42.783 42.059 0.065 0.000 1.214 350 L HN 1.072 nan 8.230 nan 0.000 0.508 351 G N -0.669 108.356 108.800 0.374 0.000 2.702 351 G HA2 0.504 4.447 3.960 -0.028 0.000 0.296 351 G HA3 0.504 4.447 3.960 -0.028 0.000 0.296 351 G C -1.436 173.580 174.900 0.193 0.000 1.463 351 G CA -0.611 44.648 45.100 0.266 0.000 0.890 351 G HN -0.279 nan 8.290 nan 0.000 0.534 352 K N 1.202 121.668 120.400 0.109 0.000 2.259 352 K HA 0.442 4.745 4.320 -0.028 0.000 0.249 352 K C -0.760 175.860 176.600 0.033 0.000 0.942 352 K CA -0.725 55.574 56.287 0.019 0.000 0.816 352 K CB 1.853 34.315 32.500 -0.062 0.000 1.155 352 K HN 0.613 nan 8.250 nan 0.000 0.428 353 D N 2.024 122.431 120.400 0.012 0.000 2.803 353 D HA -0.177 4.446 4.640 -0.028 0.000 0.233 353 D C -0.497 175.826 176.300 0.039 0.000 1.182 353 D CA 1.023 55.027 54.000 0.005 0.000 0.726 353 D CB -0.309 40.484 40.800 -0.012 0.000 0.987 353 D HN 0.254 nan 8.370 nan 0.000 0.412 354 R N 1.214 121.762 120.500 0.081 0.000 2.393 354 R HA 0.340 4.664 4.340 -0.028 0.000 0.310 354 R C -0.112 176.268 176.300 0.134 0.000 0.968 354 R CA -0.717 55.442 56.100 0.099 0.000 0.867 354 R CB 0.972 31.338 30.300 0.109 0.000 1.124 354 R HN -0.063 nan 8.270 nan 0.000 0.450 355 D N 3.832 124.291 120.400 0.098 0.000 2.339 355 D HA 0.372 4.995 4.640 -0.028 0.000 0.241 355 D C 0.020 176.396 176.300 0.127 0.000 1.183 355 D CA 0.055 54.116 54.000 0.102 0.000 0.859 355 D CB 0.807 41.639 40.800 0.054 0.000 1.067 355 D HN 0.230 nan 8.370 nan 0.000 0.484 356 L N 0.910 122.254 121.223 0.201 0.000 2.415 356 L HA 0.442 4.765 4.340 -0.028 0.000 0.256 356 L C -0.627 176.355 176.870 0.187 0.000 1.010 356 L CA -1.230 53.701 54.840 0.152 0.000 0.826 356 L CB 2.439 44.552 42.059 0.091 0.000 1.405 356 L HN -0.068 nan 8.230 nan 0.000 0.410 357 V N 3.441 123.417 119.914 0.103 0.000 2.304 357 V HA 0.432 4.535 4.120 -0.028 0.000 0.269 357 V C -0.116 176.011 176.094 0.056 0.000 1.036 357 V CA -0.173 62.186 62.300 0.099 0.000 0.840 357 V CB 0.810 32.669 31.823 0.060 0.000 1.036 357 V HN 0.410 nan 8.190 nan 0.000 0.466 358 L N 4.571 125.827 121.223 0.056 0.000 2.341 358 L HA 0.686 5.009 4.340 -0.028 0.000 0.267 358 L C -0.305 176.573 176.870 0.012 0.000 1.009 358 L CA -0.569 54.250 54.840 -0.035 0.000 0.819 358 L CB 2.315 44.225 42.059 -0.249 0.000 1.323 358 L HN 0.511 nan 8.230 nan 0.000 0.425 359 Q N 0.827 120.624 119.800 -0.005 0.000 2.397 359 Q HA 0.356 4.679 4.340 -0.028 0.000 0.275 359 Q C -1.296 174.702 176.000 -0.003 0.000 1.090 359 Q CA -0.930 54.885 55.803 0.020 0.000 0.809 359 Q CB 3.036 31.791 28.738 0.028 0.000 1.362 359 Q HN 0.495 nan 8.270 nan 0.000 0.431 360 E N -0.061 120.151 120.200 0.020 0.000 2.452 360 E HA 0.132 4.465 4.350 -0.028 0.000 0.261 360 E C 0.652 177.242 176.600 -0.017 0.000 0.987 360 E CA 1.173 57.576 56.400 0.005 0.000 0.926 360 E CB 0.262 29.995 29.700 0.055 0.000 0.934 360 E HN 0.909 nan 8.360 nan 0.000 0.452 361 G N 3.180 111.950 108.800 -0.050 0.000 2.234 361 G HA2 -0.218 3.725 3.960 -0.028 0.000 0.235 361 G HA3 -0.218 3.725 3.960 -0.028 0.000 0.235 361 G C -0.089 174.783 174.900 -0.047 0.000 0.997 361 G CA -0.120 44.950 45.100 -0.051 0.000 0.623 361 G HN 0.570 nan 8.290 nan 0.000 0.514 362 D N 0.789 121.163 120.400 -0.044 0.000 2.423 362 D HA 0.466 5.089 4.640 -0.028 0.000 0.238 362 D C 1.007 177.280 176.300 -0.046 0.000 1.142 362 D CA 0.277 54.255 54.000 -0.037 0.000 0.884 362 D CB 0.741 41.520 40.800 -0.035 0.000 1.199 362 D HN 0.366 nan 8.370 nan 0.000 0.438 363 L N 2.025 123.228 121.223 -0.033 0.000 2.322 363 L HA 0.488 4.811 4.340 -0.028 0.000 0.279 363 L C -0.087 176.766 176.870 -0.028 0.000 1.036 363 L CA -0.714 54.103 54.840 -0.039 0.000 0.807 363 L CB 0.822 42.860 42.059 -0.036 0.000 1.226 363 L HN 0.094 nan 8.230 nan 0.000 0.433 364 L N 2.068 123.266 121.223 -0.041 0.000 2.354 364 L HA 0.808 5.131 4.340 -0.028 0.000 0.264 364 L C -0.369 176.469 176.870 -0.053 0.000 1.008 364 L CA -0.734 54.087 54.840 -0.032 0.000 0.819 364 L CB 2.138 44.175 42.059 -0.036 0.000 1.339 364 L HN 0.655 nan 8.230 nan 0.000 0.420 365 A N 1.712 124.503 122.820 -0.048 0.000 2.318 365 A HA 0.721 5.024 4.320 -0.028 0.000 0.317 365 A C -0.756 176.777 177.584 -0.084 0.000 1.159 365 A CA -0.492 51.488 52.037 -0.095 0.000 0.799 365 A CB 1.378 20.308 19.000 -0.117 0.000 1.194 365 A HN 0.372 nan 8.150 nan 0.000 0.479 366 V N 4.582 124.432 119.914 -0.107 0.000 2.334 366 V HA 0.243 4.346 4.120 -0.028 0.000 0.267 366 V C 0.739 176.782 176.094 -0.085 0.000 1.040 366 V CA -0.425 61.834 62.300 -0.068 0.000 0.866 366 V CB 0.374 32.165 31.823 -0.054 0.000 1.019 366 V HN 0.959 nan 8.190 nan 0.000 0.468 367 R N 3.027 123.491 120.500 -0.059 0.000 2.801 367 R HA 0.264 4.588 4.340 -0.028 0.000 0.273 367 R C 1.065 177.367 176.300 0.002 0.000 1.080 367 R CA 0.691 56.755 56.100 -0.060 0.000 1.197 367 R CB 0.381 30.674 30.300 -0.012 0.000 1.109 367 R HN 1.051 nan 8.270 nan 0.000 0.535 368 S N -1.069 114.649 115.700 0.029 0.000 3.706 368 S HA -0.167 4.286 4.470 -0.028 0.000 0.363 368 S C -0.018 174.648 174.600 0.110 0.000 0.999 368 S CA 0.962 59.209 58.200 0.078 0.000 1.143 368 S CB -1.715 61.530 63.200 0.075 0.000 0.902 368 S HN 0.625 nan 8.310 nan 0.000 0.476 369 S N -0.505 115.275 115.700 0.132 0.000 2.602 369 S HA 0.473 4.926 4.470 -0.028 0.000 0.240 369 S C 1.720 176.526 174.600 0.344 0.000 0.992 369 S CA -0.053 58.292 58.200 0.243 0.000 0.971 369 S CB 0.609 63.950 63.200 0.235 0.000 0.855 369 S HN 0.953 nan 8.310 nan 0.000 0.481 370 G N 1.068 110.015 108.800 0.245 0.000 2.712 370 G HA2 0.449 4.392 3.960 -0.028 0.000 0.212 370 G HA3 0.449 4.392 3.960 -0.028 0.000 0.212 370 G C 0.293 175.199 174.900 0.008 0.000 1.142 370 G CA 0.373 45.575 45.100 0.170 0.000 0.789 370 G HN 0.555 nan 8.290 nan 0.000 0.535 371 A N -0.833 122.011 122.820 0.040 0.000 2.371 371 A HA 0.624 4.928 4.320 -0.028 0.000 0.311 371 A C -0.219 177.369 177.584 0.007 0.000 1.068 371 A CA -0.838 51.140 52.037 -0.098 0.000 0.744 371 A CB 0.628 19.604 19.000 -0.039 0.000 1.239 371 A HN 0.644 nan 8.150 nan 0.000 0.435 372 Y N 0.170 120.490 120.300 0.034 0.000 3.589 372 Y HA -0.305 4.228 4.550 -0.028 0.000 0.218 372 Y C 1.352 177.282 175.900 0.050 0.000 1.234 372 Y CA 1.186 59.302 58.100 0.026 0.000 1.576 372 Y CB -1.555 36.918 38.460 0.021 0.000 1.487 372 Y HN 1.010 nan 8.280 nan 0.000 0.616 373 G N -0.835 108.031 108.800 0.109 0.000 2.529 373 G HA2 0.081 4.024 3.960 -0.028 0.000 0.220 373 G HA3 0.081 4.024 3.960 -0.028 0.000 0.220 373 G C 0.866 175.771 174.900 0.007 0.000 1.976 373 G CA 0.278 45.480 45.100 0.170 0.000 0.789 373 G HN 0.296 nan 8.290 nan 0.000 0.695 374 F N 1.683 121.343 119.950 -0.483 0.000 2.161 374 F HA -0.059 4.451 4.527 -0.027 0.000 0.300 374 F C 2.912 178.623 175.800 -0.148 0.000 1.089 374 F CA 2.119 59.866 58.000 -0.421 0.000 1.282 374 F CB -0.154 38.471 39.000 -0.627 0.000 1.010 374 F HN 0.234 nan 8.300 nan 0.000 0.485 375 T N -0.148 114.389 114.554 -0.029 0.000 2.822 375 T HA -0.239 4.095 4.350 -0.028 0.000 0.270 375 T C 1.622 176.276 174.700 -0.078 0.000 1.064 375 T CA 1.837 63.918 62.100 -0.030 0.000 1.131 375 T CB -0.252 68.587 68.868 -0.048 0.000 0.858 375 T HN 0.350 nan 8.240 nan 0.000 0.483 376 M N 0.745 120.299 119.600 -0.077 0.000 2.383 376 M HA 0.270 4.733 4.480 -0.028 0.000 0.247 376 M C 0.830 177.056 176.300 -0.124 0.000 1.117 376 M CA -0.265 55.002 55.300 -0.055 0.000 0.995 376 M CB 0.531 33.145 32.600 0.024 0.000 1.480 376 M HN 0.062 nan 8.290 nan 0.000 0.485 377 S N 1.426 116.960 115.700 -0.276 0.000 2.560 377 S HA 0.226 4.679 4.470 -0.028 0.000 0.284 377 S C 0.341 174.809 174.600 -0.220 0.000 1.327 377 S CA -0.249 57.772 58.200 -0.299 0.000 1.055 377 S CB 0.512 63.338 63.200 -0.623 0.000 0.868 377 S HN 0.482 nan 8.310 nan 0.000 0.506 378 S N 2.986 118.627 115.700 -0.098 0.000 2.811 378 S HA 0.485 4.938 4.470 -0.028 0.000 0.311 378 S C -0.258 174.354 174.600 0.019 0.000 1.152 378 S CA -0.952 57.229 58.200 -0.031 0.000 0.864 378 S CB 0.897 64.105 63.200 0.015 0.000 1.226 378 S HN 0.734 nan 8.310 nan 0.000 0.541 379 N N -0.631 118.107 118.700 0.064 0.000 2.273 379 N HA 0.216 4.939 4.740 -0.028 0.000 0.231 379 N C -1.085 174.501 175.510 0.127 0.000 1.134 379 N CA -0.276 52.825 53.050 0.084 0.000 0.856 379 N CB 0.045 38.581 38.487 0.080 0.000 1.068 379 N HN 0.532 nan 8.380 nan 0.000 0.510 380 Y N 2.180 122.488 120.300 0.013 0.000 2.811 380 Y HA -0.170 4.364 4.550 -0.028 0.000 0.334 380 Y C 0.681 176.596 175.900 0.024 0.000 1.247 380 Y CA 0.508 58.617 58.100 0.016 0.000 1.526 380 Y CB -0.225 38.238 38.460 0.005 0.000 1.284 380 Y HN 0.355 nan 8.280 nan 0.000 0.586 381 N N 2.158 120.505 118.700 -0.588 0.000 2.782 381 N HA -0.238 4.485 4.740 -0.028 0.000 0.251 381 N C -0.307 175.121 175.510 -0.138 0.000 1.101 381 N CA 0.492 53.285 53.050 -0.427 0.000 0.764 381 N CB -1.335 36.893 38.487 -0.432 0.000 1.122 381 N HN 0.809 nan 8.380 nan 0.000 0.561 382 T N -0.570 113.963 114.554 -0.035 0.000 3.720 382 T HA -0.273 4.060 4.350 -0.028 0.000 0.381 382 T C -0.034 174.708 174.700 0.071 0.000 0.763 382 T CA 1.100 63.241 62.100 0.068 0.000 1.957 382 T CB -0.951 67.975 68.868 0.098 0.000 1.767 382 T HN 0.382 nan 8.240 nan 0.000 0.743 383 R N 1.480 122.007 120.500 0.046 0.000 2.295 383 R HA 0.422 4.745 4.340 -0.028 0.000 0.324 383 R C -2.627 173.710 176.300 0.061 0.000 0.968 383 R CA -2.244 53.883 56.100 0.046 0.000 0.837 383 R CB 1.173 31.488 30.300 0.024 0.000 1.133 383 R HN 0.119 nan 8.270 nan 0.000 0.450 384 P HA 0.042 nan 4.420 nan 0.000 0.271 384 P C -0.594 176.755 177.300 0.083 0.000 1.218 384 P CA -0.164 62.972 63.100 0.061 0.000 0.780 384 P CB 0.634 32.363 31.700 0.048 0.000 0.901 385 R N 0.989 121.553 120.500 0.107 0.000 2.594 385 R HA 0.257 4.580 4.340 -0.028 0.000 0.272 385 R C 0.462 176.911 176.300 0.249 0.000 1.074 385 R CA -0.687 55.522 56.100 0.182 0.000 1.105 385 R CB 0.222 30.635 30.300 0.188 0.000 1.008 385 R HN 0.363 nan 8.270 nan 0.000 0.472 386 V N 0.031 120.151 119.914 0.343 0.000 3.385 386 V HA 0.548 4.651 4.120 -0.028 0.000 0.301 386 V C 0.479 176.684 176.094 0.185 0.000 1.082 386 V CA -0.832 61.617 62.300 0.248 0.000 1.085 386 V CB 0.907 32.867 31.823 0.229 0.000 1.152 386 V HN 0.842 nan 8.190 nan 0.000 0.465 387 A N 0.961 123.819 122.820 0.063 0.000 2.351 387 A HA 0.573 4.876 4.320 -0.028 0.000 0.257 387 A C 0.111 177.606 177.584 -0.147 0.000 1.087 387 A CA -0.487 51.513 52.037 -0.062 0.000 0.798 387 A CB 0.012 18.971 19.000 -0.068 0.000 1.033 387 A HN 0.959 nan 8.150 nan 0.000 0.488 388 E N 0.098 120.131 120.200 -0.278 0.000 2.199 388 E HA 0.484 4.817 4.350 -0.028 0.000 0.265 388 E C -1.028 175.371 176.600 -0.334 0.000 0.882 388 E CA -0.697 55.493 56.400 -0.350 0.000 0.759 388 E CB 2.034 31.501 29.700 -0.388 0.000 1.148 388 E HN 0.612 nan 8.360 nan 0.000 0.412 389 V N 0.384 120.076 119.914 -0.371 0.000 2.769 389 V HA 0.689 4.792 4.120 -0.028 0.000 0.312 389 V C -0.511 175.494 176.094 -0.149 0.000 1.061 389 V CA -0.976 61.145 62.300 -0.298 0.000 0.931 389 V CB 1.918 33.496 31.823 -0.408 0.000 1.010 389 V HN 0.748 nan 8.190 nan 0.000 0.433 390 M N 4.806 124.396 119.600 -0.016 0.000 2.326 390 M HA 0.731 5.194 4.480 -0.028 0.000 0.306 390 M C -0.973 175.330 176.300 0.004 0.000 1.054 390 M CA -0.787 54.569 55.300 0.093 0.000 0.922 390 M CB 1.970 34.695 32.600 0.208 0.000 1.632 390 M HN 0.992 nan 8.290 nan 0.000 0.436 391 V N 1.168 121.075 119.914 -0.012 0.000 2.617 391 V HA 0.731 4.834 4.120 -0.028 0.000 0.298 391 V C -1.070 174.958 176.094 -0.110 0.000 1.048 391 V CA -0.332 61.902 62.300 -0.110 0.000 0.964 391 V CB 1.651 33.440 31.823 -0.057 0.000 1.004 391 V HN 0.901 nan 8.190 nan 0.000 0.466 392 D N 2.265 122.553 120.400 -0.187 0.000 2.328 392 D HA 0.547 5.170 4.640 -0.028 0.000 0.243 392 D C 0.524 176.750 176.300 -0.123 0.000 1.324 392 D CA 0.948 54.882 54.000 -0.110 0.000 0.966 392 D CB 0.993 41.809 40.800 0.026 0.000 1.324 392 D HN 1.353 nan 8.370 nan 0.000 0.549 393 G N 4.519 113.252 108.800 -0.112 0.000 2.574 393 G HA2 -0.369 3.574 3.960 -0.028 0.000 0.301 393 G HA3 -0.369 3.574 3.960 -0.028 0.000 0.301 393 G C 0.693 175.565 174.900 -0.046 0.000 1.166 393 G CA 0.596 45.641 45.100 -0.092 0.000 0.971 393 G HN 0.720 nan 8.290 nan 0.000 0.542 394 N N 1.264 119.938 118.700 -0.043 0.000 2.235 394 N HA 0.234 4.957 4.740 -0.028 0.000 0.209 394 N C 0.331 175.798 175.510 -0.070 0.000 1.122 394 N CA 0.518 53.563 53.050 -0.009 0.000 0.845 394 N CB 0.363 38.865 38.487 0.026 0.000 1.004 394 N HN 0.750 nan 8.380 nan 0.000 0.499 395 K N -0.195 120.109 120.400 -0.159 0.000 2.123 395 K HA 0.458 4.761 4.320 -0.028 0.000 0.259 395 K C -0.694 175.629 176.600 -0.461 0.000 0.960 395 K CA -0.495 55.614 56.287 -0.296 0.000 0.872 395 K CB 1.443 33.727 32.500 -0.361 0.000 1.079 395 K HN -0.062 nan 8.250 nan 0.000 0.440 396 T N 2.090 116.384 114.554 -0.433 0.000 2.824 396 T HA 0.425 4.758 4.350 -0.028 0.000 0.282 396 T C -1.343 173.150 174.700 -0.345 0.000 0.993 396 T CA -0.663 61.235 62.100 -0.337 0.000 0.967 396 T CB 0.346 69.174 68.868 -0.067 0.000 0.960 396 T HN 0.264 nan 8.240 nan 0.000 0.441 397 Y N 1.776 122.062 120.300 -0.024 0.000 2.350 397 Y HA 0.568 5.104 4.550 -0.022 0.000 0.338 397 Y C -0.239 175.591 175.900 -0.115 0.000 0.961 397 Y CA -1.659 56.415 58.100 -0.043 0.000 1.100 397 Y CB 1.111 39.548 38.460 -0.039 0.000 1.179 397 Y HN 0.448 nan 8.280 nan 0.000 0.454 398 L N 5.075 126.316 121.223 0.030 0.000 2.361 398 L HA 0.325 4.648 4.340 -0.028 0.000 0.278 398 L C 0.565 177.395 176.870 -0.067 0.000 1.113 398 L CA 0.082 54.839 54.840 -0.138 0.000 0.849 398 L CB 0.554 42.553 42.059 -0.099 0.000 1.155 398 L HN 0.658 nan 8.230 nan 0.000 0.452 399 V N 2.126 121.980 119.914 -0.100 0.000 3.605 399 V HA 0.476 4.579 4.120 -0.028 0.000 0.284 399 V C 0.593 176.618 176.094 -0.114 0.000 1.386 399 V CA -0.171 62.085 62.300 -0.072 0.000 1.053 399 V CB -0.461 31.351 31.823 -0.018 0.000 0.857 399 V HN 0.809 nan 8.190 nan 0.000 0.436 400 R N 0.856 121.260 120.500 -0.160 0.000 2.523 400 R HA 0.376 4.699 4.340 -0.028 0.000 0.278 400 R C -1.002 175.214 176.300 -0.139 0.000 1.150 400 R CA -0.355 55.644 56.100 -0.169 0.000 0.987 400 R CB 1.610 31.729 30.300 -0.301 0.000 1.232 400 R HN 0.502 nan 8.270 nan 0.000 0.424 401 Q N 2.641 122.397 119.800 -0.073 0.000 2.373 401 Q HA 0.148 4.472 4.340 -0.028 0.000 0.255 401 Q C -0.121 175.875 176.000 -0.008 0.000 0.980 401 Q CA -0.115 55.670 55.803 -0.030 0.000 0.882 401 Q CB 1.163 29.899 28.738 -0.003 0.000 1.249 401 Q HN 0.342 nan 8.270 nan 0.000 0.438 402 R N 1.541 122.054 120.500 0.021 0.000 2.623 402 R HA -0.026 4.298 4.340 -0.028 0.000 0.271 402 R C -0.527 175.800 176.300 0.044 0.000 1.043 402 R CA 0.123 56.253 56.100 0.051 0.000 1.083 402 R CB 0.529 30.864 30.300 0.059 0.000 0.974 402 R HN 0.546 nan 8.270 nan 0.000 0.436 403 E N 2.192 122.427 120.200 0.059 0.000 2.373 403 E HA -0.046 4.287 4.350 -0.028 0.000 0.267 403 E C -0.420 176.181 176.600 0.001 0.000 1.032 403 E CA -0.122 56.297 56.400 0.031 0.000 0.889 403 E CB 0.825 30.551 29.700 0.043 0.000 0.984 403 E HN 0.415 nan 8.360 nan 0.000 0.425 404 E N 3.009 123.190 120.200 -0.032 0.000 2.338 404 E HA -0.040 4.293 4.350 -0.028 0.000 0.272 404 E C 0.588 177.123 176.600 -0.109 0.000 1.029 404 E CA -0.214 56.150 56.400 -0.059 0.000 0.872 404 E CB 1.168 30.825 29.700 -0.072 0.000 1.015 404 E HN 0.422 nan 8.360 nan 0.000 0.417 405 L N 4.957 126.123 121.223 -0.094 0.000 2.013 405 L HA -0.265 4.059 4.340 -0.028 0.000 0.212 405 L C 2.301 178.905 176.870 -0.443 0.000 1.073 405 L CA 2.797 57.566 54.840 -0.120 0.000 0.753 405 L CB -0.895 41.168 42.059 0.007 0.000 0.890 405 L HN 0.684 nan 8.230 nan 0.000 0.432 406 S N -1.562 113.809 115.700 -0.548 0.000 2.474 406 S HA -0.148 4.305 4.470 -0.028 0.000 0.235 406 S C 2.030 176.004 174.600 -1.044 0.000 0.997 406 S CA 0.940 58.469 58.200 -1.118 0.000 0.949 406 S CB -1.093 61.794 63.200 -0.521 0.000 0.766 406 S HN 0.683 nan 8.310 nan 0.000 0.517 407 S N 1.677 117.052 115.700 -0.541 0.000 2.442 407 S HA 0.022 4.475 4.470 -0.028 0.000 0.236 407 S C 1.604 176.007 174.600 -0.329 0.000 1.007 407 S CA 0.661 58.645 58.200 -0.359 0.000 0.965 407 S CB -0.740 62.347 63.200 -0.187 0.000 0.773 407 S HN 0.366 nan 8.310 nan 0.000 0.504 408 L N 0.490 121.489 121.223 -0.373 0.000 2.127 408 L HA 0.043 4.366 4.340 -0.028 0.000 0.211 408 L C 2.020 178.932 176.870 0.071 0.000 1.089 408 L CA 1.191 55.977 54.840 -0.090 0.000 0.757 408 L CB -0.965 41.138 42.059 0.074 0.000 0.899 408 L HN 0.883 nan 8.230 nan 0.000 0.434 409 W N -3.840 117.468 121.300 0.013 0.000 2.818 409 W HA 0.668 5.311 4.660 -0.028 0.000 0.403 409 W C 1.605 178.130 176.519 0.011 0.000 0.991 409 W CA -0.027 57.325 57.345 0.012 0.000 1.925 409 W CB -1.058 28.408 29.460 0.009 0.000 1.166 409 W HN -0.049 nan 8.180 nan 0.000 0.605 410 A N 1.414 124.166 122.820 -0.113 0.000 2.024 410 A HA -0.087 4.216 4.320 -0.028 0.000 0.220 410 A C 1.743 179.340 177.584 0.022 0.000 1.164 410 A CA 1.288 53.280 52.037 -0.074 0.000 0.643 410 A CB -0.511 18.414 19.000 -0.126 0.000 0.806 410 A HN 0.506 nan 8.150 nan 0.000 0.451 411 L N -0.509 120.739 121.223 0.042 0.000 2.612 411 L HA 0.132 4.456 4.340 -0.028 0.000 0.230 411 L C 0.289 177.201 176.870 0.070 0.000 1.140 411 L CA -0.087 54.781 54.840 0.047 0.000 0.896 411 L CB -0.217 41.864 42.059 0.037 0.000 1.065 411 L HN 0.396 nan 8.230 nan 0.000 0.447 412 E N -0.014 120.252 120.200 0.110 0.000 2.232 412 E HA 0.517 4.851 4.350 -0.028 0.000 0.265 412 E C -0.377 176.280 176.600 0.095 0.000 1.001 412 E CA -0.424 56.041 56.400 0.108 0.000 0.870 412 E CB 1.936 31.724 29.700 0.147 0.000 1.175 412 E HN 0.067 nan 8.360 nan 0.000 0.407 413 S N -0.782 114.958 115.700 0.067 0.000 2.579 413 S HA 0.564 5.017 4.470 -0.028 0.000 0.272 413 S C -0.284 174.336 174.600 0.033 0.000 1.141 413 S CA -1.025 57.206 58.200 0.052 0.000 0.843 413 S CB 0.992 64.217 63.200 0.041 0.000 1.122 413 S HN 0.399 nan 8.310 nan 0.000 0.468 414 V N 0.053 119.982 119.914 0.024 0.000 3.369 414 V HA 0.638 4.742 4.120 -0.028 0.000 0.309 414 V C 0.325 176.425 176.094 0.010 0.000 1.069 414 V CA -1.250 61.056 62.300 0.010 0.000 1.042 414 V CB -0.237 31.587 31.823 0.002 0.000 1.192 414 V HN 0.917 nan 8.190 nan 0.000 0.447 415 L N 1.426 122.651 121.223 0.004 0.000 2.464 415 L HA 0.359 4.682 4.340 -0.028 0.000 0.264 415 L C -1.756 175.118 176.870 0.006 0.000 1.199 415 L CA -1.433 53.410 54.840 0.005 0.000 0.818 415 L CB -0.212 41.848 42.059 0.001 0.000 1.102 415 L HN 0.597 nan 8.230 nan 0.000 0.473 416 P HA 0.177 nan 4.420 nan 0.000 0.272 416 P C -0.903 176.400 177.300 0.005 0.000 1.223 416 P CA -0.247 62.856 63.100 0.006 0.000 0.784 416 P CB 0.852 32.555 31.700 0.006 0.000 0.923 417 E N 0.000 120.203 120.200 0.005 0.000 2.725 417 E HA 0.000 4.333 4.350 -0.028 0.000 0.291 417 E CA 0.000 56.402 56.400 0.003 0.000 0.976 417 E CB 0.000 29.702 29.700 0.004 0.000 0.812 417 E HN 0.000 nan 8.360 nan 0.000 0.440