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 1qo9_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRLVVQTSSG PVRGRSVTVQ GREVHVYTGI PYAKPPVEDL RFRKPVPAEP DATA SEQUENCE WHGVLDATGL SATcVQERYE YFPGFSGEEI WNPNTNVSED cLYINVWAPA DATA SEQUENCE KXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXNTTNGLP ILIWIYGGGF DATA SEQUENCE MTGSATLDIY NADIMAAVGN VIVASFQYRV GAFGFLHLAP EMPSEFAEEA DATA SEQUENCE PGNVGLWDQA LAIRWLKDNA HAFGGNPEWM TLFGESAGSS SVNAQLMSPV DATA SEQUENCE TRGLVKRGMM QSGTMNAPWS HMTSEKAVEI GKALINDCNc NASMLKTNPA DATA SEQUENCE HVMScMRSVD AKTISVQQWN SYSGILSFPS APTIDGAFLP ADPMTLMKTA DATA SEQUENCE DLKDYDILMG NVRDEGTYFL LYDFIDYFDK DDATALPRDK YLEIMNNIFG DATA SEQUENCE KATQAEREAI IFQYTSWEGN PGYQNQQQIG RAVGDHFFTc PTNEYAQALA DATA SEQUENCE ERGASVHYYY FTHRTSTSLW GEWMGVLHGD EIEYFFGQPL NNSLQYRPVE DATA SEQUENCE RELGKRMLSA VIEFAKTGNP AQDGEEWPNF SKEDPVYYIF STDDKIEKLA DATA SEQUENCE RGPLAARcSF WNDYLPKVRS WA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.321 176.300 0.035 0.000 2.045 3 D CA 0.000 54.012 54.000 0.020 0.000 0.868 3 D CB 0.000 40.803 40.800 0.005 0.000 0.688 4 R N -0.118 120.403 120.500 0.036 0.000 2.195 4 R HA 0.383 4.723 4.340 -0.000 0.000 0.197 4 R C 1.344 177.711 176.300 0.112 0.000 0.990 4 R CA 0.021 56.167 56.100 0.077 0.000 1.048 4 R CB -0.034 30.316 30.300 0.083 0.000 0.997 4 R HN 0.192 nan 8.270 nan 0.000 0.502 5 L N 2.156 123.381 121.223 0.003 0.000 2.711 5 L HA 0.134 4.474 4.340 -0.000 0.000 0.242 5 L C -0.209 176.752 176.870 0.151 0.000 1.153 5 L CA -0.036 54.757 54.840 -0.079 0.000 0.898 5 L CB 0.347 42.263 42.059 -0.239 0.000 1.044 5 L HN -0.023 nan 8.230 nan 0.000 0.437 6 V N -0.423 119.591 119.914 0.168 0.000 2.547 6 V HA 0.418 4.538 4.120 -0.000 0.000 0.299 6 V C -0.211 175.961 176.094 0.129 0.000 1.040 6 V CA -0.610 61.801 62.300 0.186 0.000 0.913 6 V CB 2.771 34.657 31.823 0.106 0.000 0.992 6 V HN -0.188 nan 8.190 nan 0.000 0.449 7 V N 3.878 123.827 119.914 0.058 0.000 2.789 7 V HA 0.511 4.631 4.120 -0.000 0.000 0.311 7 V C -0.700 175.302 176.094 -0.154 0.000 1.073 7 V CA -0.526 61.661 62.300 -0.189 0.000 0.921 7 V CB 2.220 33.649 31.823 -0.656 0.000 1.009 7 V HN 0.850 nan 8.190 nan 0.000 0.426 8 Q N 4.084 123.762 119.800 -0.203 0.000 2.472 8 Q HA 0.285 4.625 4.340 -0.000 0.000 0.227 8 Q C 0.285 176.162 176.000 -0.204 0.000 1.156 8 Q CA 0.052 55.762 55.803 -0.155 0.000 0.924 8 Q CB 0.665 29.311 28.738 -0.153 0.000 1.354 8 Q HN 1.032 nan 8.270 nan 0.000 0.525 9 T N -1.906 112.588 114.554 -0.099 0.000 2.868 9 T HA 0.111 4.461 4.350 -0.000 0.000 0.292 9 T C 1.266 175.878 174.700 -0.147 0.000 1.028 9 T CA -0.112 61.956 62.100 -0.054 0.000 1.059 9 T CB 0.799 69.884 68.868 0.362 0.000 0.991 9 T HN 0.430 nan 8.240 nan 0.000 0.531 10 S N 0.249 115.835 115.700 -0.190 0.000 2.723 10 S HA 0.016 4.486 4.470 -0.000 0.000 0.231 10 S C 1.062 175.532 174.600 -0.217 0.000 0.967 10 S CA 0.173 58.261 58.200 -0.188 0.000 0.958 10 S CB -0.685 62.404 63.200 -0.186 0.000 0.778 10 S HN 0.665 nan 8.310 nan 0.000 0.537 11 S N -0.230 115.274 115.700 -0.326 0.000 2.787 11 S HA 0.628 5.098 4.470 -0.000 0.000 0.255 11 S C 0.489 174.220 174.600 -1.449 0.000 1.051 11 S CA -0.181 57.590 58.200 -0.714 0.000 1.124 11 S CB 1.099 63.897 63.200 -0.670 0.000 1.104 11 S HN 1.033 nan 8.310 nan 0.000 0.623 12 G N 2.464 110.735 108.800 -0.881 0.000 2.359 12 G HA2 0.184 4.143 3.960 -0.000 0.000 0.314 12 G HA3 0.184 4.143 3.960 -0.000 0.000 0.314 12 G C -3.670 171.212 174.900 -0.029 0.000 1.364 12 G CA -0.996 43.640 45.100 -0.773 0.000 0.978 12 G HN -0.086 nan 8.290 nan 0.000 0.615 13 P HA 0.544 nan 4.420 nan 0.000 0.279 13 P C -0.596 176.947 177.300 0.406 0.000 1.239 13 P CA -0.236 62.999 63.100 0.225 0.000 0.789 13 P CB 1.886 33.680 31.700 0.156 0.000 0.933 14 V N 4.141 124.239 119.914 0.308 0.000 2.760 14 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 14 V C 0.315 176.608 176.094 0.332 0.000 1.077 14 V CA -0.768 61.730 62.300 0.330 0.000 0.910 14 V CB 2.152 34.220 31.823 0.408 0.000 1.008 14 V HN 0.638 nan 8.190 nan 0.000 0.424 15 R N 2.651 123.315 120.500 0.273 0.000 2.562 15 R HA 0.895 5.235 4.340 -0.000 0.000 0.298 15 R C -0.176 176.196 176.300 0.121 0.000 0.961 15 R CA -0.439 55.793 56.100 0.220 0.000 0.881 15 R CB 2.124 32.475 30.300 0.086 0.000 1.159 15 R HN 0.810 nan 8.270 nan 0.000 0.450 16 G N 2.042 110.760 108.800 -0.137 0.000 2.714 16 G HA2 0.479 4.439 3.960 -0.000 0.000 0.292 16 G HA3 0.479 4.439 3.960 -0.000 0.000 0.292 16 G C -1.109 173.524 174.900 -0.445 0.000 1.308 16 G CA -1.304 43.499 45.100 -0.494 0.000 0.964 16 G HN 0.693 nan 8.290 nan 0.000 0.484 17 R N -0.765 119.502 120.500 -0.389 0.000 2.540 17 R HA 0.640 4.980 4.340 -0.000 0.000 0.287 17 R C -0.532 175.595 176.300 -0.289 0.000 0.980 17 R CA -0.433 55.496 56.100 -0.286 0.000 0.966 17 R CB 1.483 31.670 30.300 -0.189 0.000 1.106 17 R HN 0.428 nan 8.270 nan 0.000 0.480 18 S N 1.377 116.935 115.700 -0.237 0.000 2.537 18 S HA 0.423 4.893 4.470 -0.000 0.000 0.275 18 S C -0.607 173.968 174.600 -0.041 0.000 1.272 18 S CA -0.545 57.580 58.200 -0.125 0.000 1.050 18 S CB 0.768 63.896 63.200 -0.120 0.000 0.961 18 S HN 0.420 nan 8.310 nan 0.000 0.496 19 V N 4.579 124.509 119.914 0.026 0.000 2.612 19 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 19 V C -0.148 175.976 176.094 0.050 0.000 1.059 19 V CA -0.765 61.550 62.300 0.025 0.000 0.886 19 V CB 2.072 33.913 31.823 0.030 0.000 1.007 19 V HN 0.966 nan 8.190 nan 0.000 0.426 20 T N 4.880 119.452 114.554 0.030 0.000 2.806 20 T HA 0.672 5.021 4.350 -0.000 0.000 0.290 20 T C -0.357 174.352 174.700 0.015 0.000 0.966 20 T CA -0.349 61.769 62.100 0.029 0.000 1.060 20 T CB 1.285 70.164 68.868 0.019 0.000 0.927 20 T HN 0.847 nan 8.240 nan 0.000 0.485 21 V N 1.467 121.390 119.914 0.015 0.000 2.777 21 V HA 0.513 4.633 4.120 -0.000 0.000 0.306 21 V C -0.266 175.825 176.094 -0.004 0.000 1.112 21 V CA -1.298 61.000 62.300 -0.002 0.000 0.917 21 V CB 1.560 33.380 31.823 -0.005 0.000 1.018 21 V HN 0.886 nan 8.190 nan 0.000 0.426 22 Q N 2.770 122.561 119.800 -0.015 0.000 2.435 22 Q HA -0.251 4.088 4.340 -0.000 0.000 0.312 22 Q C 1.422 177.420 176.000 -0.003 0.000 1.333 22 Q CA 1.201 56.996 55.803 -0.014 0.000 0.883 22 Q CB -1.472 27.254 28.738 -0.019 0.000 1.170 22 Q HN 2.289 nan 8.270 nan 0.000 0.443 23 G N -0.453 108.347 108.800 0.000 0.000 2.189 23 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 23 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 23 G C -0.041 174.867 174.900 0.013 0.000 0.975 23 G CA 0.608 45.712 45.100 0.006 0.000 0.644 23 G HN 0.272 nan 8.290 nan 0.000 0.537 24 R N 0.659 121.169 120.500 0.017 0.000 2.445 24 R HA 0.524 4.864 4.340 -0.000 0.000 0.308 24 R C -0.240 176.085 176.300 0.041 0.000 0.961 24 R CA -0.779 55.337 56.100 0.025 0.000 0.862 24 R CB 1.525 31.838 30.300 0.023 0.000 1.144 24 R HN 0.495 nan 8.270 nan 0.000 0.447 25 E N 2.037 122.268 120.200 0.051 0.000 2.283 25 E HA 0.314 4.664 4.350 -0.000 0.000 0.278 25 E C -0.997 175.665 176.600 0.104 0.000 1.027 25 E CA -0.573 55.879 56.400 0.086 0.000 0.843 25 E CB 1.300 31.064 29.700 0.107 0.000 1.062 25 E HN 0.185 nan 8.360 nan 0.000 0.401 26 V N 4.936 124.945 119.914 0.158 0.000 2.483 26 V HA 0.177 4.297 4.120 -0.000 0.000 0.297 26 V C -0.756 175.498 176.094 0.267 0.000 1.027 26 V CA -0.690 61.725 62.300 0.191 0.000 0.855 26 V CB 1.573 33.523 31.823 0.210 0.000 0.995 26 V HN 0.731 nan 8.190 nan 0.000 0.424 27 H N 3.320 122.432 119.070 0.071 0.000 2.846 27 H HA 0.363 4.919 4.556 -0.000 0.000 0.278 27 H C -0.536 174.678 175.328 -0.191 0.000 1.117 27 H CA -0.619 55.375 56.048 -0.090 0.000 1.406 27 H CB 1.369 31.170 29.762 0.065 0.000 1.445 27 H HN 0.412 nan 8.280 nan 0.000 0.469 28 V N 5.963 125.713 119.914 -0.273 0.000 2.348 28 V HA 0.056 4.176 4.120 -0.000 0.000 0.270 28 V C -0.552 175.214 176.094 -0.547 0.000 1.037 28 V CA -0.535 61.499 62.300 -0.444 0.000 0.872 28 V CB -0.414 31.152 31.823 -0.429 0.000 1.002 28 V HN 0.599 nan 8.190 nan 0.000 0.464 29 Y N 2.971 123.094 120.300 -0.295 0.000 2.331 29 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 29 Y C 0.804 176.524 175.900 -0.300 0.000 0.976 29 Y CA -0.793 57.203 58.100 -0.172 0.000 1.137 29 Y CB 1.732 40.219 38.460 0.046 0.000 1.172 29 Y HN 0.679 nan 8.280 nan 0.000 0.478 30 T N -1.263 113.216 114.554 -0.124 0.000 2.893 30 T HA 0.626 4.976 4.350 -0.000 0.000 0.291 30 T C 0.565 175.199 174.700 -0.110 0.000 1.028 30 T CA -0.590 61.417 62.100 -0.156 0.000 0.995 30 T CB 1.670 70.418 68.868 -0.201 0.000 1.051 30 T HN 1.163 nan 8.240 nan 0.000 0.470 31 G N 1.787 110.533 108.800 -0.091 0.000 2.142 31 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.225 31 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.225 31 G C -0.041 174.792 174.900 -0.111 0.000 1.015 31 G CA -0.270 44.716 45.100 -0.191 0.000 0.716 31 G HN 0.962 nan 8.290 nan 0.000 0.508 32 I N 2.835 123.407 120.570 0.004 0.000 2.294 32 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 32 I C -1.400 174.742 176.117 0.043 0.000 1.098 32 I CA -2.039 59.249 61.300 -0.019 0.000 1.277 32 I CB 0.769 38.751 38.000 -0.030 0.000 1.434 32 I HN -0.017 nan 8.210 nan 0.000 0.498 33 P HA -0.120 nan 4.420 nan 0.000 0.262 33 P C -0.571 176.712 177.300 -0.028 0.000 1.182 33 P CA 0.446 63.584 63.100 0.064 0.000 0.761 33 P CB 0.289 32.016 31.700 0.044 0.000 0.795 34 Y N 1.894 122.052 120.300 -0.235 0.000 2.612 34 Y HA 0.744 5.294 4.550 -0.000 0.000 0.250 34 Y C -0.101 175.757 175.900 -0.069 0.000 1.175 34 Y CA -0.898 57.019 58.100 -0.305 0.000 1.205 34 Y CB 0.129 38.297 38.460 -0.486 0.000 1.201 34 Y HN 0.607 nan 8.280 nan 0.000 0.532 35 A N 0.283 122.926 122.820 -0.296 0.000 2.522 35 A HA 0.423 4.743 4.320 -0.000 0.000 0.291 35 A C -1.477 175.971 177.584 -0.228 0.000 1.039 35 A CA -1.349 50.551 52.037 -0.228 0.000 0.643 35 A CB 0.618 19.400 19.000 -0.363 0.000 1.310 35 A HN 0.156 nan 8.150 nan 0.000 0.436 36 K N 0.811 121.132 120.400 -0.130 0.000 2.350 36 K HA 0.376 4.696 4.320 -0.000 0.000 0.279 36 K C -2.526 173.967 176.600 -0.178 0.000 1.027 36 K CA -1.235 54.987 56.287 -0.108 0.000 0.969 36 K CB 0.171 32.640 32.500 -0.051 0.000 0.954 36 K HN 0.319 nan 8.250 nan 0.000 0.474 37 P HA -0.019 nan 4.420 nan 0.000 0.258 37 P C -2.394 174.817 177.300 -0.149 0.000 1.187 37 P CA -0.823 62.161 63.100 -0.194 0.000 0.767 37 P CB -0.098 31.532 31.700 -0.118 0.000 0.770 38 P HA 0.011 nan 4.420 nan 0.000 0.244 38 P C -0.609 176.615 177.300 -0.128 0.000 1.723 38 P CA 0.625 63.648 63.100 -0.128 0.000 1.110 38 P CB -0.044 31.585 31.700 -0.118 0.000 1.972 39 V N 1.152 121.002 119.914 -0.107 0.000 2.914 39 V HA 0.315 4.434 4.120 -0.000 0.000 0.314 39 V C 0.883 176.930 176.094 -0.079 0.000 1.084 39 V CA -0.763 61.479 62.300 -0.098 0.000 0.963 39 V CB 1.648 33.424 31.823 -0.078 0.000 1.025 39 V HN 0.407 nan 8.190 nan 0.000 0.432 40 E N 1.319 121.473 120.200 -0.077 0.000 3.180 40 E HA -0.320 4.029 4.350 -0.000 0.000 0.321 40 E C 0.833 177.401 176.600 -0.052 0.000 1.452 40 E CA 1.303 57.671 56.400 -0.053 0.000 1.710 40 E CB -0.698 28.984 29.700 -0.031 0.000 1.867 40 E HN 1.138 nan 8.360 nan 0.000 0.513 41 D N 1.341 121.726 120.400 -0.026 0.000 2.322 41 D HA -0.181 4.458 4.640 -0.000 0.000 0.210 41 D C 1.757 178.044 176.300 -0.021 0.000 0.983 41 D CA 1.641 55.634 54.000 -0.011 0.000 0.902 41 D CB -0.302 40.499 40.800 0.002 0.000 0.905 41 D HN 0.347 nan 8.370 nan 0.000 0.483 42 L N -0.836 120.359 121.223 -0.047 0.000 2.221 42 L HA 0.083 4.423 4.340 -0.000 0.000 0.202 42 L C 1.674 178.491 176.870 -0.087 0.000 1.074 42 L CA -0.272 54.534 54.840 -0.057 0.000 0.795 42 L CB -0.297 41.724 42.059 -0.064 0.000 0.960 42 L HN -0.038 nan 8.230 nan 0.000 0.458 43 R N 0.482 120.881 120.500 -0.168 0.000 2.547 43 R HA -0.238 4.102 4.340 -0.000 0.000 0.269 43 R C 0.119 176.247 176.300 -0.287 0.000 0.968 43 R CA 0.611 56.510 56.100 -0.335 0.000 1.101 43 R CB 0.132 30.086 30.300 -0.576 0.000 0.898 43 R HN 0.178 nan 8.270 nan 0.000 0.416 44 F N -0.880 119.095 119.950 0.041 0.000 2.705 44 F HA -0.316 4.211 4.527 -0.000 0.000 0.413 44 F C 0.519 176.302 175.800 -0.029 0.000 0.588 44 F CA 1.318 59.324 58.000 0.008 0.000 1.187 44 F CB -1.503 37.496 39.000 -0.002 0.000 1.737 44 F HN 0.635 nan 8.300 nan 0.000 0.285 45 R N 0.609 121.163 120.500 0.090 0.000 2.596 45 R HA 0.538 4.878 4.340 -0.000 0.000 0.267 45 R C 0.387 176.647 176.300 -0.067 0.000 1.026 45 R CA -1.075 55.025 56.100 -0.000 0.000 1.087 45 R CB 0.888 31.179 30.300 -0.014 0.000 1.132 45 R HN 0.017 nan 8.270 nan 0.000 0.531 46 K N 2.696 122.995 120.400 -0.169 0.000 2.436 46 K HA 0.070 4.390 4.320 -0.000 0.000 0.275 46 K C -1.973 174.570 176.600 -0.096 0.000 0.999 46 K CA -1.021 55.121 56.287 -0.242 0.000 0.980 46 K CB 0.167 32.384 32.500 -0.471 0.000 0.919 46 K HN 0.373 nan 8.250 nan 0.000 0.484 47 P HA -0.022 nan 4.420 nan 0.000 0.268 47 P C -0.783 176.523 177.300 0.011 0.000 1.208 47 P CA -0.135 62.967 63.100 0.003 0.000 0.777 47 P CB 0.634 32.374 31.700 0.067 0.000 0.875 48 V N 2.738 122.646 119.914 -0.009 0.000 2.487 48 V HA 0.289 4.408 4.120 -0.000 0.000 0.298 48 V C -2.336 173.774 176.094 0.027 0.000 1.028 48 V CA -2.525 59.783 62.300 0.013 0.000 0.860 48 V CB 1.331 33.152 31.823 -0.003 0.000 0.991 48 V HN 0.449 nan 8.190 nan 0.000 0.427 49 P HA 0.017 nan 4.420 nan 0.000 0.261 49 P C 0.073 177.432 177.300 0.099 0.000 1.165 49 P CA 0.529 63.702 63.100 0.121 0.000 0.759 49 P CB 0.345 32.126 31.700 0.136 0.000 0.772 50 A N 3.299 126.195 122.820 0.126 0.000 2.531 50 A HA 0.129 4.449 4.320 -0.000 0.000 0.236 50 A C 0.454 178.149 177.584 0.185 0.000 1.062 50 A CA -0.068 52.059 52.037 0.150 0.000 0.760 50 A CB -0.095 19.049 19.000 0.239 0.000 0.995 50 A HN 0.468 nan 8.150 nan 0.000 0.501 51 E N 2.577 122.878 120.200 0.169 0.000 2.383 51 E HA 0.327 4.677 4.350 -0.000 0.000 0.264 51 E C -2.119 174.598 176.600 0.195 0.000 1.050 51 E CA -0.984 55.501 56.400 0.142 0.000 0.896 51 E CB 0.240 30.013 29.700 0.121 0.000 0.982 51 E HN 0.744 nan 8.360 nan 0.000 0.424 52 P HA 0.207 nan 4.420 nan 0.000 0.272 52 P C -0.761 176.557 177.300 0.031 0.000 1.230 52 P CA -0.284 62.727 63.100 -0.147 0.000 0.788 52 P CB 0.391 31.972 31.700 -0.198 0.000 0.949 53 W N 0.709 121.977 121.300 -0.054 0.000 2.850 53 W HA 0.455 5.115 4.660 -0.000 0.000 0.349 53 W C 1.412 177.804 176.519 -0.212 0.000 1.133 53 W CA -0.724 56.485 57.345 -0.228 0.000 1.117 53 W CB -0.306 28.920 29.460 -0.391 0.000 1.442 53 W HN 0.458 nan 8.180 nan 0.000 0.575 54 H N 0.372 119.626 119.070 0.307 0.000 2.878 54 H HA 0.308 4.864 4.556 -0.000 0.000 0.320 54 H C 0.930 176.377 175.328 0.198 0.000 1.070 54 H CA 0.536 56.691 56.048 0.179 0.000 1.415 54 H CB -1.184 28.661 29.762 0.139 0.000 1.612 54 H HN 0.591 nan 8.280 nan 0.000 0.776 55 G N 0.901 110.021 108.800 0.532 0.000 2.616 55 G HA2 0.352 4.312 3.960 -0.000 0.000 0.268 55 G HA3 0.352 4.312 3.960 -0.000 0.000 0.268 55 G C 0.155 175.230 174.900 0.292 0.000 1.213 55 G CA 0.167 45.479 45.100 0.352 0.000 0.926 55 G HN 0.566 nan 8.290 nan 0.000 0.523 56 V N -1.048 118.989 119.914 0.205 0.000 2.992 56 V HA 0.051 4.171 4.120 -0.000 0.000 0.294 56 V C 0.659 176.818 176.094 0.108 0.000 1.254 56 V CA -0.150 62.252 62.300 0.170 0.000 1.359 56 V CB -0.162 31.731 31.823 0.117 0.000 0.914 56 V HN 0.601 nan 8.190 nan 0.000 0.519 57 L N 2.142 123.400 121.223 0.058 0.000 2.309 57 L HA 0.519 4.859 4.340 -0.000 0.000 0.282 57 L C 0.140 176.973 176.870 -0.061 0.000 1.036 57 L CA -0.600 54.161 54.840 -0.132 0.000 0.806 57 L CB 1.576 43.406 42.059 -0.383 0.000 1.220 57 L HN 0.876 nan 8.230 nan 0.000 0.429 58 D N 4.150 124.489 120.400 -0.102 0.000 2.367 58 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 58 D C 0.023 176.263 176.300 -0.100 0.000 1.300 58 D CA 0.175 54.125 54.000 -0.083 0.000 0.959 58 D CB 1.030 41.772 40.800 -0.097 0.000 1.064 58 D HN 0.545 nan 8.370 nan 0.000 0.509 59 A N 3.187 125.981 122.820 -0.043 0.000 3.213 59 A HA 0.316 4.636 4.320 -0.000 0.000 0.308 59 A C 1.087 178.619 177.584 -0.087 0.000 1.177 59 A CA -0.248 51.771 52.037 -0.030 0.000 1.010 59 A CB -0.197 18.889 19.000 0.143 0.000 1.092 59 A HN 0.505 nan 8.150 nan 0.000 0.583 60 T N -4.299 110.183 114.554 -0.119 0.000 2.969 60 T HA 0.339 4.688 4.350 -0.000 0.000 0.258 60 T C 0.919 175.539 174.700 -0.134 0.000 0.962 60 T CA 0.589 62.604 62.100 -0.141 0.000 0.903 60 T CB 0.177 68.969 68.868 -0.127 0.000 1.177 60 T HN 0.553 nan 8.240 nan 0.000 0.511 61 G N 1.875 110.593 108.800 -0.136 0.000 2.377 61 G HA2 0.622 4.582 3.960 -0.000 0.000 0.299 61 G HA3 0.622 4.582 3.960 -0.000 0.000 0.299 61 G C -0.423 174.387 174.900 -0.149 0.000 1.150 61 G CA -0.876 44.142 45.100 -0.136 0.000 0.847 61 G HN 0.466 nan 8.290 nan 0.000 0.501 62 L N 2.091 123.239 121.223 -0.125 0.000 2.410 62 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 62 L C 1.443 178.232 176.870 -0.135 0.000 1.152 62 L CA -0.575 54.201 54.840 -0.107 0.000 0.855 62 L CB 0.785 42.801 42.059 -0.073 0.000 1.129 62 L HN 0.715 nan 8.230 nan 0.000 0.463 63 S N 2.534 118.156 115.700 -0.130 0.000 2.612 63 S HA 0.414 4.884 4.470 -0.000 0.000 0.253 63 S C 0.182 174.740 174.600 -0.070 0.000 1.346 63 S CA -0.588 57.503 58.200 -0.183 0.000 0.976 63 S CB 0.839 64.041 63.200 0.003 0.000 0.949 63 S HN 0.700 nan 8.310 nan 0.000 0.584 64 A N 1.116 123.930 122.820 -0.011 0.000 2.316 64 A HA 0.589 4.909 4.320 -0.000 0.000 0.284 64 A C 0.785 178.391 177.584 0.038 0.000 1.115 64 A CA -0.310 51.734 52.037 0.012 0.000 0.812 64 A CB -0.175 18.844 19.000 0.031 0.000 1.064 64 A HN 1.142 nan 8.150 nan 0.000 0.489 65 T N -0.439 114.102 114.554 -0.021 0.000 2.889 65 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 65 T C 0.440 175.100 174.700 -0.067 0.000 0.995 65 T CA -0.674 61.393 62.100 -0.055 0.000 1.092 65 T CB 0.060 68.875 68.868 -0.087 0.000 0.954 65 T HN 0.636 nan 8.240 nan 0.000 0.506 66 c N 2.216 120.769 118.600 -0.078 0.000 2.801 66 c HA 0.194 4.764 4.570 -0.000 0.000 0.376 66 c C 1.136 175.131 174.090 -0.159 0.000 1.323 66 c CA -0.973 55.285 56.329 -0.119 0.000 2.170 66 c CB -0.465 42.004 42.510 -0.069 0.000 2.650 66 c HN 0.782 nan 8.230 nan 0.000 0.736 67 V N 3.756 123.469 119.914 -0.334 0.000 2.409 67 V HA 0.132 4.252 4.120 -0.000 0.000 0.270 67 V C 0.543 176.634 176.094 -0.005 0.000 1.019 67 V CA 0.691 62.794 62.300 -0.329 0.000 1.066 67 V CB -1.265 30.007 31.823 -0.918 0.000 1.021 67 V HN 0.990 nan 8.190 nan 0.000 0.476 68 Q N 3.852 123.686 119.800 0.056 0.000 3.093 68 Q HA 0.627 4.967 4.340 -0.000 0.000 0.330 68 Q C -0.392 175.687 176.000 0.132 0.000 0.947 68 Q CA -0.920 54.964 55.803 0.134 0.000 0.801 68 Q CB 1.699 30.478 28.738 0.069 0.000 1.470 68 Q HN 0.294 nan 8.270 nan 0.000 0.498 69 E N -0.010 120.265 120.200 0.126 0.000 2.354 69 E HA 0.210 4.560 4.350 -0.000 0.000 0.203 69 E C -0.278 176.318 176.600 -0.007 0.000 0.841 69 E CA -0.048 56.410 56.400 0.097 0.000 1.046 69 E CB 0.820 30.646 29.700 0.209 0.000 1.040 69 E HN 0.630 nan 8.360 nan 0.000 0.504 70 R N 0.354 120.764 120.500 -0.150 0.000 1.077 70 R HA -0.127 4.213 4.340 -0.000 0.000 0.427 70 R C -1.819 174.454 176.300 -0.045 0.000 1.320 70 R CA -0.020 56.011 56.100 -0.114 0.000 0.824 70 R CB -1.219 29.084 30.300 0.006 0.000 2.809 70 R HN 0.024 nan 8.270 nan 0.000 0.514 71 Y N 3.389 123.806 120.300 0.195 0.000 2.425 71 Y HA 0.197 4.747 4.550 -0.000 0.000 0.347 71 Y C 1.034 177.144 175.900 0.349 0.000 0.976 71 Y CA -0.666 57.613 58.100 0.297 0.000 1.190 71 Y CB 1.451 40.061 38.460 0.250 0.000 1.136 71 Y HN 0.508 nan 8.280 nan 0.000 0.517 72 E N 1.639 122.110 120.200 0.452 0.000 2.496 72 E HA 0.137 4.487 4.350 -0.000 0.000 0.202 72 E C 0.268 176.978 176.600 0.183 0.000 1.021 72 E CA -0.020 56.544 56.400 0.275 0.000 1.015 72 E CB -0.309 29.469 29.700 0.131 0.000 1.102 72 E HN 0.589 nan 8.360 nan 0.000 0.452 73 Y N -0.568 119.725 120.300 -0.011 0.000 2.736 73 Y HA -0.065 4.485 4.550 -0.000 0.000 0.298 73 Y C -0.116 175.309 175.900 -0.792 0.000 1.156 73 Y CA 0.844 58.686 58.100 -0.429 0.000 1.384 73 Y CB -0.160 37.852 38.460 -0.746 0.000 0.976 73 Y HN 0.053 nan 8.280 nan 0.000 0.556 74 F N -1.103 118.945 119.950 0.163 0.000 3.159 74 F HA 0.322 4.849 4.527 -0.000 0.000 0.394 74 F C -2.598 173.281 175.800 0.130 0.000 1.214 74 F CA -2.932 55.138 58.000 0.116 0.000 1.241 74 F CB 0.557 39.676 39.000 0.198 0.000 2.238 74 F HN -0.242 nan 8.300 nan 0.000 0.658 75 P HA 0.104 nan 4.420 nan 0.000 0.261 75 P C 1.054 178.448 177.300 0.157 0.000 1.165 75 P CA 1.931 65.112 63.100 0.136 0.000 0.759 75 P CB 0.710 32.449 31.700 0.065 0.000 0.772 76 G N 3.527 112.409 108.800 0.136 0.000 2.480 76 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.246 76 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.246 76 G C 0.350 175.350 174.900 0.167 0.000 1.073 76 G CA -0.051 45.118 45.100 0.114 0.000 0.643 76 G HN 0.608 nan 8.290 nan 0.000 0.525 77 F N 3.505 123.458 119.950 0.006 0.000 2.322 77 F HA 0.126 4.653 4.527 -0.000 0.000 0.429 77 F C 1.780 177.514 175.800 -0.110 0.000 0.916 77 F CA 0.382 58.326 58.000 -0.094 0.000 1.090 77 F CB -0.019 38.904 39.000 -0.130 0.000 0.867 77 F HN 0.580 nan 8.300 nan 0.000 0.518 78 S N 3.271 119.058 115.700 0.144 0.000 2.595 78 S HA 0.019 4.489 4.470 -0.000 0.000 0.235 78 S C 1.812 176.166 174.600 -0.410 0.000 0.974 78 S CA 0.431 58.569 58.200 -0.104 0.000 0.942 78 S CB -0.464 62.713 63.200 -0.038 0.000 0.766 78 S HN 0.761 nan 8.310 nan 0.000 0.536 79 G N 1.475 109.584 108.800 -1.153 0.000 2.557 79 G HA2 0.074 4.034 3.960 -0.000 0.000 0.213 79 G HA3 0.074 4.034 3.960 -0.000 0.000 0.213 79 G C 0.366 174.669 174.900 -0.995 0.000 1.221 79 G CA -0.056 44.075 45.100 -1.616 0.000 0.832 79 G HN 0.613 nan 8.290 nan 0.000 0.556 80 E N -0.224 119.248 120.200 -1.214 0.000 2.425 80 E HA 0.177 4.527 4.350 -0.000 0.000 0.258 80 E C 0.461 177.037 176.600 -0.041 0.000 1.151 80 E CA 0.276 56.621 56.400 -0.092 0.000 0.958 80 E CB 0.472 30.318 29.700 0.243 0.000 0.968 80 E HN 0.208 nan 8.360 nan 0.000 0.451 81 E N 0.163 120.453 120.200 0.150 0.000 3.915 81 E HA -0.233 4.117 4.350 -0.000 0.000 0.142 81 E C 1.285 177.882 176.600 -0.004 0.000 0.790 81 E CA 1.524 57.963 56.400 0.064 0.000 2.860 81 E CB -1.846 27.845 29.700 -0.015 0.000 1.391 81 E HN 0.754 nan 8.360 nan 0.000 0.696 82 I N -1.614 118.888 120.570 -0.113 0.000 3.294 82 I HA -0.049 4.121 4.170 -0.000 0.000 0.287 82 I C 1.168 177.000 176.117 -0.475 0.000 1.328 82 I CA 1.041 62.132 61.300 -0.349 0.000 1.375 82 I CB -0.457 37.222 38.000 -0.535 0.000 1.045 82 I HN 0.069 nan 8.210 nan 0.000 0.522 83 W N 1.708 122.973 121.300 -0.060 0.000 2.518 83 W HA 0.318 4.978 4.660 -0.000 0.000 0.352 83 W C 0.086 176.592 176.519 -0.022 0.000 0.952 83 W CA -0.518 56.809 57.345 -0.031 0.000 1.624 83 W CB 0.106 29.603 29.460 0.062 0.000 1.135 83 W HN 0.119 nan 8.180 nan 0.000 0.540 84 N N 1.369 120.142 118.700 0.122 0.000 2.466 84 N HA 0.223 4.963 4.740 -0.000 0.000 0.294 84 N C -2.581 172.921 175.510 -0.013 0.000 1.129 84 N CA -1.448 51.637 53.050 0.060 0.000 0.931 84 N CB 1.150 39.682 38.487 0.074 0.000 1.193 84 N HN -0.470 nan 8.380 nan 0.000 0.500 85 P HA -0.117 nan 4.420 nan 0.000 0.227 85 P C 0.607 177.874 177.300 -0.054 0.000 1.036 85 P CA 0.495 63.567 63.100 -0.046 0.000 1.080 85 P CB -0.326 31.353 31.700 -0.034 0.000 1.046 86 N N 1.471 120.125 118.700 -0.077 0.000 2.573 86 N HA -0.062 4.678 4.740 -0.000 0.000 0.187 86 N C -0.042 175.425 175.510 -0.073 0.000 1.107 86 N CA 0.880 53.877 53.050 -0.087 0.000 0.918 86 N CB 0.452 38.867 38.487 -0.120 0.000 0.966 86 N HN 0.247 nan 8.380 nan 0.000 0.448 87 T N -0.247 114.268 114.554 -0.065 0.000 2.778 87 T HA 0.275 4.625 4.350 -0.000 0.000 0.293 87 T C -0.866 173.803 174.700 -0.051 0.000 1.144 87 T CA -0.821 61.244 62.100 -0.059 0.000 1.010 87 T CB 1.014 69.845 68.868 -0.061 0.000 1.325 87 T HN -0.013 nan 8.240 nan 0.000 0.515 88 N N 1.730 120.400 118.700 -0.050 0.000 2.492 88 N HA 0.339 5.079 4.740 -0.000 0.000 0.260 88 N C -0.121 175.362 175.510 -0.044 0.000 1.215 88 N CA -0.313 52.711 53.050 -0.044 0.000 0.923 88 N CB 0.704 39.165 38.487 -0.044 0.000 1.092 88 N HN 0.564 nan 8.380 nan 0.000 0.448 89 V N -0.942 118.946 119.914 -0.044 0.000 2.617 89 V HA 0.858 4.978 4.120 -0.000 0.000 0.298 89 V C 0.134 176.188 176.094 -0.067 0.000 1.048 89 V CA -0.561 61.704 62.300 -0.058 0.000 0.964 89 V CB 1.390 33.178 31.823 -0.058 0.000 1.004 89 V HN 0.736 nan 8.190 nan 0.000 0.466 90 S N 2.116 117.762 115.700 -0.090 0.000 2.542 90 S HA 0.357 4.827 4.470 -0.000 0.000 0.276 90 S C 0.414 174.921 174.600 -0.154 0.000 1.148 90 S CA -0.359 57.781 58.200 -0.099 0.000 0.886 90 S CB 1.913 65.083 63.200 -0.050 0.000 1.109 90 S HN 0.881 nan 8.310 nan 0.000 0.458 91 E N 1.411 121.492 120.200 -0.199 0.000 2.114 91 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 91 E C 0.239 176.730 176.600 -0.181 0.000 1.008 91 E CA 1.426 57.670 56.400 -0.260 0.000 0.810 91 E CB -0.198 29.374 29.700 -0.213 0.000 0.739 91 E HN 0.756 nan 8.360 nan 0.000 0.456 92 D N 0.252 120.585 120.400 -0.112 0.000 2.367 92 D HA -0.053 4.587 4.640 -0.000 0.000 0.255 92 D C 0.467 176.759 176.300 -0.014 0.000 1.300 92 D CA -0.007 53.943 54.000 -0.084 0.000 0.959 92 D CB -0.262 40.536 40.800 -0.004 0.000 1.064 92 D HN 0.137 nan 8.370 nan 0.000 0.509 93 c N 2.871 121.387 118.600 -0.140 0.000 3.911 93 c HA 0.352 4.922 4.570 -0.000 0.000 0.318 93 c C 0.827 174.783 174.090 -0.224 0.000 1.643 93 c CA -0.691 55.619 56.329 -0.031 0.000 1.845 93 c CB -1.189 41.312 42.510 -0.016 0.000 2.981 93 c HN 0.462 nan 8.230 nan 0.000 0.656 94 L N 2.658 123.508 121.223 -0.622 0.000 2.505 94 L HA 0.324 4.664 4.340 -0.000 0.000 0.279 94 L C -1.108 175.201 176.870 -0.936 0.000 1.211 94 L CA 0.755 55.163 54.840 -0.721 0.000 1.059 94 L CB -0.821 40.666 42.059 -0.953 0.000 1.340 94 L HN 0.361 nan 8.230 nan 0.000 0.447 95 Y N 1.950 122.324 120.300 0.125 0.000 2.433 95 Y HA 0.487 5.037 4.550 -0.000 0.000 0.337 95 Y C 0.186 176.235 175.900 0.248 0.000 1.026 95 Y CA -0.784 57.391 58.100 0.125 0.000 1.037 95 Y CB 1.614 40.075 38.460 0.003 0.000 1.245 95 Y HN 0.230 nan 8.280 nan 0.000 0.443 96 I N 3.759 124.489 120.570 0.266 0.000 2.577 96 I HA 0.307 4.477 4.170 -0.000 0.000 0.300 96 I C -0.557 175.598 176.117 0.063 0.000 0.990 96 I CA -0.621 60.747 61.300 0.113 0.000 1.283 96 I CB 0.992 38.843 38.000 -0.248 0.000 1.411 96 I HN 0.618 nan 8.210 nan 0.000 0.515 97 N N 4.150 122.911 118.700 0.102 0.000 2.238 97 N HA 0.572 5.312 4.740 -0.000 0.000 0.302 97 N C -1.311 174.186 175.510 -0.022 0.000 1.072 97 N CA -0.416 52.608 53.050 -0.043 0.000 0.792 97 N CB 2.764 41.211 38.487 -0.066 0.000 1.425 97 N HN 0.144 nan 8.380 nan 0.000 0.478 98 V N 1.246 121.044 119.914 -0.195 0.000 2.686 98 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 98 V C -0.932 175.138 176.094 -0.041 0.000 1.065 98 V CA -0.790 61.452 62.300 -0.096 0.000 0.894 98 V CB 2.582 34.071 31.823 -0.556 0.000 1.004 98 V HN 0.599 nan 8.190 nan 0.000 0.424 99 W N 3.663 125.024 121.300 0.102 0.000 2.298 99 W HA 0.680 5.339 4.660 -0.000 0.000 0.327 99 W C 0.073 176.679 176.519 0.145 0.000 0.988 99 W CA -0.537 56.889 57.345 0.137 0.000 1.448 99 W CB 1.773 31.288 29.460 0.092 0.000 1.243 99 W HN 0.653 nan 8.180 nan 0.000 0.388 100 A N 5.683 128.731 122.820 0.379 0.000 2.260 100 A HA 0.606 4.926 4.320 -0.000 0.000 0.314 100 A C -2.421 175.291 177.584 0.213 0.000 1.257 100 A CA -1.587 50.641 52.037 0.318 0.000 0.871 100 A CB 0.576 19.848 19.000 0.453 0.000 1.166 100 A HN 0.184 nan 8.150 nan 0.000 0.522 101 P HA 0.157 nan 4.420 nan 0.000 0.263 101 P C -0.032 177.245 177.300 -0.038 0.000 1.195 101 P CA 0.453 63.589 63.100 0.061 0.000 0.762 101 P CB 0.708 32.437 31.700 0.048 0.000 0.799 102 A N 4.247 126.991 122.820 -0.125 0.000 2.491 102 A HA 0.309 4.629 4.320 -0.000 0.000 0.261 102 A C 0.463 177.970 177.584 -0.127 0.000 1.101 102 A CA 0.844 52.690 52.037 -0.319 0.000 0.772 102 A CB -0.417 18.436 19.000 -0.245 0.000 1.043 102 A HN 0.362 nan 8.150 nan 0.000 0.501 137 T N -3.823 110.182 114.554 -0.916 0.000 2.959 137 T HA 0.146 4.496 4.350 -0.000 0.000 0.254 137 T C 1.182 175.780 174.700 -0.170 0.000 1.003 137 T CA 1.335 62.996 62.100 -0.731 0.000 0.950 137 T CB -0.033 68.668 68.868 -0.279 0.000 1.090 137 T HN 0.592 nan 8.240 nan 0.000 0.503 138 T N -1.337 113.147 114.554 -0.118 0.000 2.964 138 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 138 T C 1.627 176.361 174.700 0.057 0.000 0.982 138 T CA 0.164 62.277 62.100 0.022 0.000 0.959 138 T CB -0.540 68.319 68.868 -0.015 0.000 1.141 138 T HN 0.193 nan 8.240 nan 0.000 0.494 139 N N 2.827 121.539 118.700 0.021 0.000 2.609 139 N HA 0.221 4.960 4.740 -0.000 0.000 0.190 139 N C 0.633 176.201 175.510 0.097 0.000 1.157 139 N CA 1.095 54.169 53.050 0.040 0.000 0.918 139 N CB -0.299 38.191 38.487 0.004 0.000 0.978 139 N HN 0.842 nan 8.380 nan 0.000 0.448 140 G N -1.284 107.611 108.800 0.159 0.000 2.336 140 G HA2 0.213 4.173 3.960 -0.000 0.000 0.300 140 G HA3 0.213 4.173 3.960 -0.000 0.000 0.300 140 G C -1.554 173.502 174.900 0.260 0.000 1.375 140 G CA -0.834 44.370 45.100 0.175 0.000 0.885 140 G HN 0.081 nan 8.290 nan 0.000 0.599 141 L N 0.886 122.216 121.223 0.178 0.000 2.416 141 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 141 L C -1.827 174.997 176.870 -0.077 0.000 1.093 141 L CA -2.018 52.866 54.840 0.073 0.000 0.801 141 L CB 1.607 43.658 42.059 -0.012 0.000 1.191 141 L HN 0.286 nan 8.230 nan 0.000 0.459 142 P HA 0.086 nan 4.420 nan 0.000 0.265 142 P C -0.873 176.216 177.300 -0.353 0.000 1.193 142 P CA 0.477 63.045 63.100 -0.888 0.000 0.765 142 P CB 0.295 31.080 31.700 -1.524 0.000 0.823 143 I N 3.740 124.190 120.570 -0.201 0.000 2.355 143 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 143 I C -0.257 175.825 176.117 -0.058 0.000 0.999 143 I CA -0.859 60.408 61.300 -0.055 0.000 1.163 143 I CB 1.043 39.071 38.000 0.047 0.000 1.316 143 I HN 0.042 nan 8.210 nan 0.000 0.454 144 L N 7.733 128.936 121.223 -0.034 0.000 2.280 144 L HA 0.482 4.822 4.340 -0.000 0.000 0.287 144 L C -0.168 176.898 176.870 0.326 0.000 1.023 144 L CA -0.040 54.776 54.840 -0.041 0.000 0.819 144 L CB 1.055 42.891 42.059 -0.373 0.000 1.212 144 L HN 0.433 nan 8.230 nan 0.000 0.420 145 I N 2.986 123.814 120.570 0.431 0.000 2.312 145 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 145 I C -0.611 175.859 176.117 0.588 0.000 1.008 145 I CA -0.361 61.248 61.300 0.514 0.000 1.226 145 I CB 0.850 39.084 38.000 0.390 0.000 1.371 145 I HN 0.672 nan 8.210 nan 0.000 0.468 146 W N 9.041 130.458 121.300 0.195 0.000 2.308 146 W HA 0.511 5.171 4.660 -0.000 0.000 0.311 146 W C -1.418 174.831 176.519 -0.450 0.000 1.088 146 W CA -0.669 56.388 57.345 -0.479 0.000 1.309 146 W CB 0.895 30.034 29.460 -0.535 0.000 1.229 146 W HN 0.369 nan 8.180 nan 0.000 0.427 147 I N 8.710 128.516 120.570 -1.272 0.000 2.336 147 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 147 I C 0.013 175.250 176.117 -1.466 0.000 0.991 147 I CA -1.133 59.483 61.300 -1.140 0.000 1.227 147 I CB 0.852 38.408 38.000 -0.740 0.000 1.366 147 I HN 0.324 nan 8.210 nan 0.000 0.466 148 Y N 4.454 124.293 120.300 -0.769 0.000 2.301 148 Y HA 0.740 5.290 4.550 -0.000 0.000 0.328 148 Y C 0.651 176.468 175.900 -0.139 0.000 1.242 148 Y CA -0.866 56.963 58.100 -0.453 0.000 1.323 148 Y CB 0.172 38.585 38.460 -0.078 0.000 1.266 148 Y HN 0.566 nan 8.280 nan 0.000 0.527 149 G N -0.601 108.306 108.800 0.179 0.000 2.641 149 G HA2 0.480 4.440 3.960 -0.000 0.000 0.239 149 G HA3 0.480 4.440 3.960 -0.000 0.000 0.239 149 G C 0.242 175.297 174.900 0.258 0.000 1.402 149 G CA -0.949 44.224 45.100 0.122 0.000 1.046 149 G HN 1.755 nan 8.290 nan 0.000 0.565 150 G N -2.473 106.373 108.800 0.076 0.000 2.247 150 G HA2 0.393 4.353 3.960 -0.000 0.000 0.111 150 G HA3 0.393 4.353 3.960 -0.000 0.000 0.111 150 G C 0.985 175.735 174.900 -0.250 0.000 1.045 150 G CA 0.585 45.699 45.100 0.023 0.000 0.715 150 G HN 2.283 nan 8.290 nan 0.000 0.485 151 G N -0.214 108.311 108.800 -0.458 0.000 2.390 151 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.299 151 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.299 151 G C 0.916 175.451 174.900 -0.609 0.000 1.002 151 G CA 0.661 45.262 45.100 -0.832 0.000 0.979 151 G HN 1.839 nan 8.290 nan 0.000 0.513 152 F N -3.959 115.932 119.950 -0.098 0.000 3.059 152 F HA -0.309 4.218 4.527 -0.000 0.000 0.290 152 F C 2.009 177.795 175.800 -0.023 0.000 0.786 152 F CA 1.778 59.771 58.000 -0.012 0.000 1.060 152 F CB -1.389 37.399 39.000 -0.353 0.000 1.327 152 F HN 0.402 nan 8.300 nan 0.000 0.409 153 M N -1.604 117.958 119.600 -0.062 0.000 2.925 153 M HA 0.168 4.648 4.480 -0.000 0.000 0.249 153 M C 1.515 177.863 176.300 0.080 0.000 1.439 153 M CA 1.751 57.020 55.300 -0.051 0.000 1.217 153 M CB -0.314 32.153 32.600 -0.222 0.000 1.245 153 M HN 0.242 nan 8.290 nan 0.000 0.552 154 T N -1.387 113.218 114.554 0.084 0.000 2.678 154 T HA 0.729 5.078 4.350 -0.000 0.000 0.260 154 T C 0.281 175.057 174.700 0.128 0.000 0.932 154 T CA 0.016 62.174 62.100 0.096 0.000 1.043 154 T CB 1.707 70.621 68.868 0.075 0.000 1.413 154 T HN 0.572 nan 8.240 nan 0.000 0.568 155 G N -0.250 108.599 108.800 0.081 0.000 2.788 155 G HA2 0.363 4.323 3.960 -0.000 0.000 0.686 155 G HA3 0.363 4.323 3.960 -0.000 0.000 0.686 155 G C -0.415 174.132 174.900 -0.589 0.000 1.147 155 G CA -0.043 45.074 45.100 0.028 0.000 0.755 155 G HN 1.580 nan 8.290 nan 0.000 0.634 156 S N 0.012 115.341 115.700 -0.619 0.000 2.588 156 S HA 0.876 5.346 4.470 -0.000 0.000 0.275 156 S C 1.027 175.406 174.600 -0.369 0.000 1.130 156 S CA 0.508 58.292 58.200 -0.694 0.000 0.855 156 S CB 1.672 64.717 63.200 -0.259 0.000 1.116 156 S HN 2.331 nan 8.310 nan 0.000 0.472 157 A N 1.446 124.159 122.820 -0.178 0.000 2.178 157 A HA 0.150 4.469 4.320 -0.000 0.000 0.211 157 A C 1.930 179.656 177.584 0.236 0.000 1.157 157 A CA 1.387 53.552 52.037 0.214 0.000 0.780 157 A CB -1.043 18.120 19.000 0.271 0.000 0.828 157 A HN 1.138 nan 8.150 nan 0.000 0.476 158 T N -1.301 113.306 114.554 0.088 0.000 2.985 158 T HA 0.150 4.500 4.350 -0.000 0.000 0.266 158 T C 0.776 175.448 174.700 -0.046 0.000 1.076 158 T CA -0.042 62.081 62.100 0.037 0.000 1.135 158 T CB -0.840 68.016 68.868 -0.020 0.000 0.890 158 T HN 0.278 nan 8.240 nan 0.000 0.480 159 L N 2.696 123.839 121.223 -0.133 0.000 2.706 159 L HA 0.004 4.344 4.340 -0.000 0.000 0.282 159 L C 1.018 177.658 176.870 -0.383 0.000 1.219 159 L CA -0.033 54.603 54.840 -0.341 0.000 0.935 159 L CB -0.161 41.514 42.059 -0.640 0.000 1.204 159 L HN 0.194 nan 8.230 nan 0.000 0.491 160 D N 2.230 122.437 120.400 -0.322 0.000 2.239 160 D HA -0.238 4.402 4.640 -0.000 0.000 0.202 160 D C 1.854 177.898 176.300 -0.427 0.000 0.993 160 D CA 1.067 54.886 54.000 -0.302 0.000 0.874 160 D CB 0.003 40.653 40.800 -0.250 0.000 0.922 160 D HN 0.612 nan 8.370 nan 0.000 0.464 161 I N -0.195 120.024 120.570 -0.586 0.000 2.614 161 I HA -0.224 3.946 4.170 -0.000 0.000 0.258 161 I C 0.633 176.312 176.117 -0.730 0.000 1.189 161 I CA 1.210 62.113 61.300 -0.661 0.000 1.462 161 I CB -0.205 37.292 38.000 -0.839 0.000 1.092 161 I HN 0.046 nan 8.210 nan 0.000 0.442 162 Y N -0.522 119.368 120.300 -0.684 0.000 2.457 162 Y HA 0.281 4.831 4.550 -0.000 0.000 0.263 162 Y C 0.949 176.099 175.900 -1.250 0.000 1.164 162 Y CA -1.262 56.159 58.100 -1.132 0.000 1.274 162 Y CB -1.691 36.386 38.460 -0.639 0.000 1.097 162 Y HN 0.212 nan 8.280 nan 0.000 0.523 163 N N 1.150 119.431 118.700 -0.699 0.000 2.294 163 N HA 0.065 4.805 4.740 -0.000 0.000 0.263 163 N C 0.972 175.901 175.510 -0.969 0.000 1.281 163 N CA 0.721 53.422 53.050 -0.581 0.000 0.846 163 N CB 0.702 38.992 38.487 -0.329 0.000 1.061 163 N HN 0.253 nan 8.380 nan 0.000 0.478 164 A N 3.101 125.075 122.820 -1.410 0.000 2.308 164 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 164 A C 1.460 178.523 177.584 -0.868 0.000 1.216 164 A CA -0.052 51.228 52.037 -1.260 0.000 0.864 164 A CB -0.022 18.025 19.000 -1.588 0.000 0.902 164 A HN 0.816 nan 8.150 nan 0.000 0.499 165 D N 1.165 121.183 120.400 -0.637 0.000 2.269 165 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 165 D C 1.580 177.831 176.300 -0.082 0.000 1.007 165 D CA 2.041 55.985 54.000 -0.093 0.000 0.855 165 D CB -0.373 40.447 40.800 0.034 0.000 0.979 165 D HN 0.443 nan 8.370 nan 0.000 0.452 166 I N 0.465 120.964 120.570 -0.117 0.000 2.194 166 I HA -0.254 3.915 4.170 -0.000 0.000 0.246 166 I C 2.612 178.695 176.117 -0.057 0.000 1.093 166 I CA 1.097 62.350 61.300 -0.078 0.000 1.355 166 I CB -0.547 37.397 38.000 -0.094 0.000 1.046 166 I HN 0.086 nan 8.210 nan 0.000 0.413 167 M N 0.534 120.095 119.600 -0.065 0.000 2.067 167 M HA -0.237 4.243 4.480 -0.000 0.000 0.260 167 M C 2.426 178.705 176.300 -0.036 0.000 1.069 167 M CA 2.346 57.626 55.300 -0.033 0.000 1.117 167 M CB -0.179 32.435 32.600 0.024 0.000 1.334 167 M HN 0.247 nan 8.290 nan 0.000 0.407 168 A N 0.343 123.146 122.820 -0.027 0.000 1.883 168 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 168 A C 2.303 179.904 177.584 0.028 0.000 1.186 168 A CA 2.277 54.335 52.037 0.035 0.000 0.624 168 A CB -1.382 17.707 19.000 0.147 0.000 0.822 168 A HN 0.710 nan 8.150 nan 0.000 0.444 169 A N -0.627 122.210 122.820 0.029 0.000 1.825 169 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 169 A C 2.231 179.815 177.584 -0.000 0.000 1.206 169 A CA 1.915 53.966 52.037 0.022 0.000 0.609 169 A CB -1.283 17.732 19.000 0.023 0.000 0.851 169 A HN 0.472 nan 8.150 nan 0.000 0.445 170 V N 0.110 120.016 119.914 -0.013 0.000 2.252 170 V HA -0.239 3.880 4.120 -0.000 0.000 0.249 170 V C 2.787 178.866 176.094 -0.025 0.000 1.056 170 V CA 2.312 64.601 62.300 -0.019 0.000 1.022 170 V CB -1.549 30.259 31.823 -0.026 0.000 0.641 170 V HN 0.660 nan 8.190 nan 0.000 0.445 171 G N -1.355 107.423 108.800 -0.037 0.000 2.484 171 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 171 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 171 G C 0.688 175.548 174.900 -0.067 0.000 1.130 171 G CA 0.571 45.636 45.100 -0.060 0.000 0.784 171 G HN 0.708 nan 8.290 nan 0.000 0.543 172 N N -0.783 117.893 118.700 -0.042 0.000 2.648 172 N HA -0.172 4.568 4.740 -0.000 0.000 0.265 172 N C -0.517 174.949 175.510 -0.073 0.000 1.100 172 N CA 0.152 53.182 53.050 -0.034 0.000 0.715 172 N CB -0.931 37.540 38.487 -0.027 0.000 0.881 172 N HN 0.529 nan 8.380 nan 0.000 0.548 173 V N -1.264 118.612 119.914 -0.064 0.000 3.178 173 V HA 0.616 4.736 4.120 -0.000 0.000 0.302 173 V C 0.033 176.119 176.094 -0.014 0.000 1.262 173 V CA -1.254 60.980 62.300 -0.110 0.000 1.030 173 V CB 1.811 33.515 31.823 -0.198 0.000 1.074 173 V HN 0.024 nan 8.190 nan 0.000 0.438 174 I N 2.708 123.279 120.570 0.001 0.000 2.396 174 I HA 0.430 4.599 4.170 -0.000 0.000 0.289 174 I C 0.013 176.208 176.117 0.129 0.000 1.056 174 I CA -0.078 61.283 61.300 0.102 0.000 1.365 174 I CB 1.035 39.101 38.000 0.111 0.000 1.407 174 I HN 0.504 nan 8.210 nan 0.000 0.509 175 V N 5.900 125.956 119.914 0.237 0.000 2.483 175 V HA 0.828 4.947 4.120 -0.000 0.000 0.295 175 V C 0.265 176.651 176.094 0.488 0.000 1.035 175 V CA -0.639 61.841 62.300 0.299 0.000 0.896 175 V CB 1.619 33.554 31.823 0.187 0.000 0.986 175 V HN 0.888 nan 8.190 nan 0.000 0.447 176 A N 3.387 126.497 122.820 0.483 0.000 2.486 176 A HA 0.940 5.260 4.320 -0.000 0.000 0.300 176 A C -0.303 177.605 177.584 0.539 0.000 1.048 176 A CA -0.235 52.112 52.037 0.517 0.000 0.696 176 A CB 2.080 21.298 19.000 0.363 0.000 1.278 176 A HN 1.105 nan 8.150 nan 0.000 0.405 177 S N 0.213 116.246 115.700 0.555 0.000 2.704 177 S HA 1.004 5.473 4.470 -0.000 0.000 0.296 177 S C -0.653 174.185 174.600 0.396 0.000 1.138 177 S CA -0.506 57.922 58.200 0.381 0.000 0.875 177 S CB 1.496 64.963 63.200 0.445 0.000 1.151 177 S HN 1.927 nan 8.310 nan 0.000 0.500 178 F N -2.239 117.898 119.950 0.312 0.000 2.769 178 F HA 0.578 5.104 4.527 -0.000 0.000 0.313 178 F C -1.532 174.532 175.800 0.441 0.000 1.146 178 F CA -1.119 57.045 58.000 0.274 0.000 0.934 178 F CB 0.783 39.806 39.000 0.038 0.000 1.283 178 F HN 0.462 nan 8.300 nan 0.000 0.443 179 Q N 2.073 122.265 119.800 0.654 0.000 2.243 179 Q HA 0.368 4.708 4.340 -0.000 0.000 0.252 179 Q C -1.356 175.069 176.000 0.708 0.000 0.909 179 Q CA -0.466 55.685 55.803 0.581 0.000 0.922 179 Q CB 1.983 30.901 28.738 0.300 0.000 1.215 179 Q HN 0.824 nan 8.270 nan 0.000 0.427 180 Y N -1.749 118.886 120.300 0.559 0.000 2.425 180 Y HA 0.599 5.149 4.550 -0.000 0.000 0.344 180 Y C -0.086 176.005 175.900 0.318 0.000 0.969 180 Y CA -1.363 56.982 58.100 0.409 0.000 1.052 180 Y CB 1.000 39.648 38.460 0.315 0.000 1.215 180 Y HN 0.377 nan 8.280 nan 0.000 0.451 181 R N 2.120 122.801 120.500 0.301 0.000 2.583 181 R HA 0.338 4.678 4.340 -0.000 0.000 0.274 181 R C -0.212 176.283 176.300 0.324 0.000 0.998 181 R CA 0.265 56.492 56.100 0.211 0.000 1.081 181 R CB 0.422 30.816 30.300 0.157 0.000 0.940 181 R HN 0.741 nan 8.270 nan 0.000 0.413 182 V N -0.036 120.086 119.914 0.346 0.000 3.113 182 V HA 0.886 5.006 4.120 -0.000 0.000 0.316 182 V C 0.698 177.110 176.094 0.529 0.000 1.125 182 V CA -0.236 62.361 62.300 0.495 0.000 1.026 182 V CB 1.278 33.281 31.823 0.300 0.000 1.080 182 V HN 1.006 nan 8.190 nan 0.000 0.444 183 G N 0.614 109.678 108.800 0.441 0.000 2.633 183 G HA2 0.059 4.019 3.960 -0.000 0.000 0.263 183 G HA3 0.059 4.019 3.960 -0.000 0.000 0.263 183 G C 1.017 176.055 174.900 0.230 0.000 1.310 183 G CA 0.777 46.017 45.100 0.233 0.000 0.914 183 G HN 2.288 nan 8.290 nan 0.000 0.569 184 A N -1.349 121.432 122.820 -0.066 0.000 1.997 184 A HA 0.052 4.372 4.320 -0.000 0.000 0.221 184 A C 2.196 179.817 177.584 0.061 0.000 1.172 184 A CA 2.726 54.703 52.037 -0.101 0.000 0.645 184 A CB -0.569 18.259 19.000 -0.287 0.000 0.813 184 A HN 1.056 nan 8.150 nan 0.000 0.454 185 F N -0.216 119.919 119.950 0.308 0.000 2.250 185 F HA -0.014 4.513 4.527 -0.000 0.000 0.301 185 F C 2.400 178.311 175.800 0.186 0.000 1.077 185 F CA 1.131 59.290 58.000 0.265 0.000 1.348 185 F CB -0.642 38.428 39.000 0.116 0.000 1.040 185 F HN 0.288 nan 8.300 nan 0.000 0.509 186 G N -2.311 106.656 108.800 0.278 0.000 2.781 186 G HA2 0.075 4.035 3.960 -0.000 0.000 0.208 186 G HA3 0.075 4.035 3.960 -0.000 0.000 0.208 186 G C 0.696 175.271 174.900 -0.543 0.000 1.099 186 G CA 0.039 45.055 45.100 -0.141 0.000 0.776 186 G HN 0.314 nan 8.290 nan 0.000 0.532 187 F N -0.092 119.949 119.950 0.151 0.000 2.775 187 F HA 0.434 4.961 4.527 -0.000 0.000 0.313 187 F C 0.244 176.075 175.800 0.051 0.000 1.121 187 F CA -1.015 57.036 58.000 0.085 0.000 1.206 187 F CB 0.590 39.606 39.000 0.027 0.000 1.052 187 F HN -0.111 nan 8.300 nan 0.000 0.524 188 L N 2.239 123.536 121.223 0.123 0.000 2.742 188 L HA 0.033 4.373 4.340 -0.000 0.000 0.275 188 L C -0.087 176.795 176.870 0.020 0.000 1.141 188 L CA 0.267 55.080 54.840 -0.044 0.000 0.987 188 L CB -0.805 41.026 42.059 -0.380 0.000 1.319 188 L HN 0.179 nan 8.230 nan 0.000 0.478 189 H N 5.134 124.185 119.070 -0.031 0.000 2.594 189 H HA 0.496 5.052 4.556 -0.000 0.000 0.304 189 H C 0.002 175.304 175.328 -0.044 0.000 1.068 189 H CA -0.321 55.722 56.048 -0.008 0.000 1.308 189 H CB 0.710 30.490 29.762 0.030 0.000 1.409 189 H HN 0.708 nan 8.280 nan 0.000 0.460 190 L N 3.930 124.947 121.223 -0.344 0.000 3.689 190 L HA 0.310 4.649 4.340 -0.000 0.000 0.344 190 L C 1.932 178.634 176.870 -0.279 0.000 1.221 190 L CA 0.504 55.180 54.840 -0.273 0.000 1.171 190 L CB 0.132 42.073 42.059 -0.197 0.000 1.540 190 L HN 0.638 nan 8.230 nan 0.000 0.631 191 A N 1.617 124.212 122.820 -0.375 0.000 1.892 191 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 191 A C -0.243 177.260 177.584 -0.134 0.000 1.188 191 A CA 1.987 53.904 52.037 -0.200 0.000 0.631 191 A CB -1.555 17.352 19.000 -0.155 0.000 0.822 191 A HN 0.246 nan 8.150 nan 0.000 0.447 192 P HA -0.156 nan 4.420 nan 0.000 0.218 192 P C 1.228 178.508 177.300 -0.033 0.000 1.146 192 P CA 1.271 64.337 63.100 -0.056 0.000 0.813 192 P CB 0.017 31.706 31.700 -0.017 0.000 0.778 193 E N -0.329 119.835 120.200 -0.060 0.000 2.028 193 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 193 E C 1.253 177.844 176.600 -0.015 0.000 0.984 193 E CA 0.844 57.221 56.400 -0.037 0.000 0.800 193 E CB -0.616 29.048 29.700 -0.060 0.000 0.758 193 E HN 0.386 nan 8.360 nan 0.000 0.448 194 M N 1.842 121.433 119.600 -0.014 0.000 2.228 194 M HA 0.287 4.767 4.480 -0.000 0.000 0.326 194 M C -2.088 174.296 176.300 0.140 0.000 1.122 194 M CA -1.824 53.505 55.300 0.049 0.000 1.161 194 M CB -0.374 32.234 32.600 0.012 0.000 1.437 194 M HN -0.256 nan 8.290 nan 0.000 0.465 195 P HA 0.024 nan 4.420 nan 0.000 0.272 195 P C 0.373 177.748 177.300 0.126 0.000 1.254 195 P CA -0.140 63.059 63.100 0.166 0.000 0.795 195 P CB 0.291 32.093 31.700 0.170 0.000 1.022 196 S N -0.317 115.403 115.700 0.034 0.000 2.370 196 S HA -0.200 4.269 4.470 -0.000 0.000 0.226 196 S C 1.488 176.048 174.600 -0.066 0.000 1.033 196 S CA 1.153 59.352 58.200 -0.002 0.000 1.011 196 S CB -1.102 62.089 63.200 -0.015 0.000 0.852 196 S HN 0.405 nan 8.310 nan 0.000 0.457 197 E N 0.988 121.072 120.200 -0.192 0.000 2.284 197 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 197 E C 0.885 177.209 176.600 -0.460 0.000 1.008 197 E CA 0.946 57.114 56.400 -0.388 0.000 0.829 197 E CB -0.472 28.861 29.700 -0.611 0.000 0.744 197 E HN 0.789 nan 8.360 nan 0.000 0.491 198 F N -0.409 119.533 119.950 -0.014 0.000 2.639 198 F HA 0.361 4.888 4.527 -0.000 0.000 0.302 198 F C 1.891 177.673 175.800 -0.029 0.000 1.097 198 F CA -0.111 57.878 58.000 -0.018 0.000 1.294 198 F CB -0.297 38.693 39.000 -0.018 0.000 1.027 198 F HN -0.095 nan 8.300 nan 0.000 0.550 199 A N 0.097 122.967 122.820 0.084 0.000 1.958 199 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 199 A C 2.125 179.722 177.584 0.022 0.000 1.178 199 A CA 1.844 53.907 52.037 0.042 0.000 0.642 199 A CB -0.342 18.667 19.000 0.015 0.000 0.816 199 A HN 0.212 nan 8.150 nan 0.000 0.453 200 E N -0.821 119.389 120.200 0.016 0.000 2.502 200 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 200 E C 1.622 178.231 176.600 0.016 0.000 1.062 200 E CA 0.669 57.059 56.400 -0.016 0.000 0.867 200 E CB 0.066 29.744 29.700 -0.036 0.000 0.888 200 E HN 0.763 nan 8.360 nan 0.000 0.510 201 E N 0.982 121.224 120.200 0.069 0.000 2.028 201 E HA -0.009 4.340 4.350 -0.000 0.000 0.190 201 E C 0.058 176.692 176.600 0.055 0.000 0.984 201 E CA 1.046 57.495 56.400 0.081 0.000 0.800 201 E CB 0.209 29.971 29.700 0.103 0.000 0.758 201 E HN 0.062 nan 8.360 nan 0.000 0.448 202 A N 0.256 123.080 122.820 0.007 0.000 3.007 202 A HA 0.324 4.644 4.320 -0.000 0.000 0.314 202 A C -2.230 175.329 177.584 -0.042 0.000 1.153 202 A CA -0.926 51.094 52.037 -0.028 0.000 0.780 202 A CB 0.875 19.804 19.000 -0.118 0.000 1.258 202 A HN 0.130 nan 8.150 nan 0.000 0.460 203 P HA 0.177 nan 4.420 nan 0.000 0.227 203 P C 0.906 178.359 177.300 0.254 0.000 1.161 203 P CA 1.569 64.708 63.100 0.064 0.000 0.788 203 P CB 0.330 32.023 31.700 -0.012 0.000 0.822 204 G N 0.918 109.843 108.800 0.208 0.000 2.756 204 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.678 204 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.678 204 G C 0.089 175.134 174.900 0.242 0.000 1.349 204 G CA -0.201 45.071 45.100 0.285 0.000 0.847 204 G HN 0.154 nan 8.290 nan 0.000 0.548 205 N N -2.339 116.485 118.700 0.206 0.000 2.809 205 N HA -0.326 4.414 4.740 -0.000 0.000 0.244 205 N C 2.142 177.653 175.510 0.002 0.000 1.018 205 N CA 2.717 55.837 53.050 0.117 0.000 0.917 205 N CB -1.505 37.100 38.487 0.197 0.000 1.130 205 N HN 1.948 nan 8.380 nan 0.000 0.591 206 V N -2.322 117.618 119.914 0.044 0.000 2.636 206 V HA -0.152 3.968 4.120 -0.000 0.000 0.258 206 V C 2.313 178.391 176.094 -0.025 0.000 1.092 206 V CA 2.504 64.867 62.300 0.105 0.000 1.110 206 V CB -1.158 30.652 31.823 -0.023 0.000 0.685 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 G N 0.035 108.583 108.800 -0.421 0.000 2.471 207 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.219 207 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.219 207 G C 1.465 176.304 174.900 -0.102 0.000 1.125 207 G CA 0.996 45.944 45.100 -0.254 0.000 0.775 207 G HN 0.561 nan 8.290 nan 0.000 0.548 208 L N -1.497 119.543 121.223 -0.305 0.000 2.095 208 L HA 0.079 4.419 4.340 -0.000 0.000 0.204 208 L C 2.644 179.193 176.870 -0.536 0.000 1.080 208 L CA 0.493 55.021 54.840 -0.520 0.000 0.759 208 L CB -0.426 41.042 42.059 -0.985 0.000 0.914 208 L HN 0.241 nan 8.230 nan 0.000 0.439 209 W N 1.063 122.095 121.300 -0.446 0.000 2.350 209 W HA -0.184 4.476 4.660 -0.000 0.000 0.289 209 W C 2.236 178.747 176.519 -0.013 0.000 1.215 209 W CA 0.835 58.089 57.345 -0.151 0.000 1.236 209 W CB -0.544 28.885 29.460 -0.052 0.000 1.130 209 W HN 0.185 nan 8.180 nan 0.000 0.541 210 D N -0.147 120.387 120.400 0.224 0.000 2.092 210 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 210 D C 1.986 178.368 176.300 0.136 0.000 0.994 210 D CA 1.651 55.839 54.000 0.314 0.000 0.828 210 D CB -0.825 40.216 40.800 0.401 0.000 0.963 210 D HN 0.290 nan 8.370 nan 0.000 0.450 211 Q N 0.490 120.325 119.800 0.059 0.000 2.061 211 Q HA -0.133 4.206 4.340 -0.000 0.000 0.204 211 Q C 2.263 178.129 176.000 -0.224 0.000 0.984 211 Q CA 1.675 57.413 55.803 -0.108 0.000 0.846 211 Q CB -0.233 28.546 28.738 0.069 0.000 0.902 211 Q HN 0.248 nan 8.270 nan 0.000 0.421 212 A N 0.896 123.692 122.820 -0.040 0.000 1.873 212 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 212 A C 2.086 179.678 177.584 0.012 0.000 1.193 212 A CA 1.606 53.674 52.037 0.051 0.000 0.629 212 A CB -0.856 18.254 19.000 0.182 0.000 0.826 212 A HN 0.355 nan 8.150 nan 0.000 0.447 213 L N -0.527 120.737 121.223 0.068 0.000 2.083 213 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 213 L C 2.754 179.591 176.870 -0.056 0.000 1.083 213 L CA 2.117 57.033 54.840 0.126 0.000 0.752 213 L CB -0.689 41.555 42.059 0.309 0.000 0.899 213 L HN 0.391 nan 8.230 nan 0.000 0.433 214 A N -0.321 122.159 122.820 -0.566 0.000 1.855 214 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 214 A C 2.263 179.572 177.584 -0.458 0.000 1.191 214 A CA 2.003 53.398 52.037 -1.070 0.000 0.613 214 A CB -0.862 16.714 19.000 -2.374 0.000 0.829 214 A HN 0.438 nan 8.150 nan 0.000 0.442 215 I N -1.004 119.312 120.570 -0.422 0.000 2.151 215 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 215 I C 2.792 178.909 176.117 0.001 0.000 1.080 215 I CA 1.987 63.222 61.300 -0.109 0.000 1.339 215 I CB -0.365 37.612 38.000 -0.038 0.000 1.039 215 I HN 0.379 nan 8.210 nan 0.000 0.409 216 R N 0.076 120.583 120.500 0.011 0.000 2.081 216 R HA -0.256 4.084 4.340 -0.000 0.000 0.235 216 R C 2.284 178.634 176.300 0.084 0.000 1.131 216 R CA 2.025 58.154 56.100 0.049 0.000 0.960 216 R CB -0.493 29.849 30.300 0.071 0.000 0.856 216 R HN 0.442 nan 8.270 nan 0.000 0.436 217 W N 1.010 122.289 121.300 -0.036 0.000 2.325 217 W HA -0.220 4.441 4.660 0.000 0.000 0.299 217 W C 1.447 177.989 176.519 0.038 0.000 1.215 217 W CA 1.525 58.882 57.345 0.020 0.000 1.244 217 W CB -0.149 29.331 29.460 0.033 0.000 1.140 217 W HN 0.089 nan 8.180 nan 0.000 0.523 218 L N 0.358 121.770 121.223 0.314 0.000 1.988 218 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 218 L C 2.717 179.600 176.870 0.022 0.000 1.071 218 L CA 1.670 56.647 54.840 0.228 0.000 0.744 218 L CB -1.122 41.081 42.059 0.240 0.000 0.893 218 L HN -0.169 nan 8.230 nan 0.000 0.433 219 K N 0.111 120.515 120.400 0.006 0.000 2.059 219 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 219 K C 1.717 178.220 176.600 -0.162 0.000 1.050 219 K CA 2.236 58.491 56.287 -0.053 0.000 0.927 219 K CB -0.194 32.281 32.500 -0.042 0.000 0.714 219 K HN 0.247 nan 8.250 nan 0.000 0.447 220 D N 0.121 120.408 120.400 -0.190 0.000 2.149 220 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 220 D C 0.996 177.110 176.300 -0.310 0.000 0.990 220 D CA 1.032 54.868 54.000 -0.274 0.000 0.839 220 D CB -0.001 40.630 40.800 -0.281 0.000 0.948 220 D HN 0.192 nan 8.370 nan 0.000 0.460 221 N N -0.565 117.949 118.700 -0.310 0.000 2.234 221 N HA 0.228 4.968 4.740 -0.000 0.000 0.227 221 N C 1.016 176.674 175.510 0.247 0.000 1.151 221 N CA 0.149 53.149 53.050 -0.083 0.000 0.865 221 N CB 0.960 39.149 38.487 -0.498 0.000 1.066 221 N HN 0.034 nan 8.380 nan 0.000 0.515 222 A N 2.132 125.024 122.820 0.120 0.000 1.842 222 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 222 A C 1.845 179.625 177.584 0.327 0.000 1.206 222 A CA 1.957 54.110 52.037 0.194 0.000 0.630 222 A CB -1.507 17.532 19.000 0.065 0.000 0.839 222 A HN 0.660 nan 8.150 nan 0.000 0.447 223 H N -1.569 117.522 119.070 0.036 0.000 2.368 223 H HA -0.133 4.423 4.556 -0.000 0.000 0.292 223 H C 1.838 177.159 175.328 -0.012 0.000 1.117 223 H CA 1.198 57.255 56.048 0.014 0.000 1.231 223 H CB -0.446 29.304 29.762 -0.021 0.000 1.359 223 H HN 0.445 nan 8.280 nan 0.000 0.490 224 A N 0.082 122.859 122.820 -0.071 0.000 2.239 224 A HA 0.070 4.390 4.320 -0.000 0.000 0.209 224 A C 1.116 178.482 177.584 -0.363 0.000 1.171 224 A CA 0.542 52.364 52.037 -0.359 0.000 0.768 224 A CB -0.445 18.235 19.000 -0.532 0.000 0.790 224 A HN 0.465 nan 8.150 nan 0.000 0.478 225 F N -2.012 117.938 119.950 0.001 0.000 2.706 225 F HA 0.386 4.913 4.527 -0.000 0.000 0.313 225 F C 1.680 177.509 175.800 0.048 0.000 1.096 225 F CA 0.490 58.497 58.000 0.012 0.000 1.219 225 F CB 0.930 39.950 39.000 0.035 0.000 1.051 225 F HN 0.309 nan 8.300 nan 0.000 0.568 226 G N 0.117 109.024 108.800 0.179 0.000 2.195 226 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.224 226 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.224 226 G C 0.697 175.687 174.900 0.151 0.000 0.990 226 G CA -0.291 44.892 45.100 0.137 0.000 0.639 226 G HN 0.681 nan 8.290 nan 0.000 0.514 227 G N -0.359 108.552 108.800 0.185 0.000 2.504 227 G HA2 0.468 4.428 3.960 -0.000 0.000 0.288 227 G HA3 0.468 4.428 3.960 -0.000 0.000 0.288 227 G C -0.261 174.740 174.900 0.169 0.000 1.182 227 G CA 0.082 45.277 45.100 0.158 0.000 0.894 227 G HN 0.455 nan 8.290 nan 0.000 0.521 228 N N 0.826 119.645 118.700 0.198 0.000 2.439 228 N HA 0.301 5.040 4.740 -0.000 0.000 0.249 228 N C -1.612 173.989 175.510 0.152 0.000 1.003 228 N CA -2.341 50.830 53.050 0.201 0.000 0.942 228 N CB 1.909 40.590 38.487 0.325 0.000 1.115 228 N HN -0.052 nan 8.380 nan 0.000 0.505 229 P HA -0.134 nan 4.420 nan 0.000 0.218 229 P C 0.244 177.561 177.300 0.029 0.000 1.146 229 P CA 1.165 64.272 63.100 0.011 0.000 0.820 229 P CB 0.404 32.056 31.700 -0.081 0.000 0.778 230 E N -3.753 116.474 120.200 0.045 0.000 2.474 230 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 230 E C 0.614 177.276 176.600 0.104 0.000 1.039 230 E CA -0.122 56.293 56.400 0.025 0.000 0.881 230 E CB -0.718 28.961 29.700 -0.034 0.000 0.970 230 E HN 0.428 nan 8.360 nan 0.000 0.486 231 W N 1.484 122.744 121.300 -0.066 0.000 3.086 231 W HA 0.468 5.128 4.660 0.000 0.000 0.436 231 W C -0.290 176.179 176.519 -0.084 0.000 0.939 231 W CA -1.520 55.776 57.345 -0.082 0.000 2.108 231 W CB -0.773 28.648 29.460 -0.065 0.000 1.093 231 W HN 0.129 nan 8.180 nan 0.000 0.783 232 M N 1.616 121.286 119.600 0.116 0.000 2.216 232 M HA 0.263 4.743 4.480 -0.000 0.000 0.356 232 M C 0.645 176.933 176.300 -0.019 0.000 1.205 232 M CA 0.203 55.520 55.300 0.028 0.000 1.122 232 M CB 1.386 34.013 32.600 0.046 0.000 1.571 232 M HN -0.087 nan 8.290 nan 0.000 0.464 233 T N 2.417 116.941 114.554 -0.050 0.000 2.916 233 T HA 0.689 5.039 4.350 -0.000 0.000 0.298 233 T C -0.803 173.930 174.700 0.056 0.000 1.031 233 T CA -0.913 61.149 62.100 -0.062 0.000 0.993 233 T CB 1.094 69.827 68.868 -0.225 0.000 1.045 233 T HN 0.596 nan 8.240 nan 0.000 0.454 234 L N 3.532 124.840 121.223 0.141 0.000 2.387 234 L HA 0.887 5.227 4.340 -0.000 0.000 0.266 234 L C -0.652 176.457 176.870 0.398 0.000 1.059 234 L CA -1.197 53.802 54.840 0.264 0.000 0.801 234 L CB 1.178 43.341 42.059 0.172 0.000 1.223 234 L HN 0.854 nan 8.230 nan 0.000 0.456 235 F N -0.584 119.363 119.950 -0.005 0.000 2.651 235 F HA 0.770 5.297 4.527 0.000 0.000 0.327 235 F C -0.676 174.929 175.800 -0.325 0.000 1.133 235 F CA -1.144 56.829 58.000 -0.046 0.000 1.076 235 F CB 0.495 39.531 39.000 0.061 0.000 1.315 235 F HN 0.482 nan 8.300 nan 0.000 0.499 236 G N 1.507 110.003 108.800 -0.506 0.000 2.866 236 G HA2 0.612 4.572 3.960 -0.000 0.000 0.289 236 G HA3 0.612 4.572 3.960 -0.000 0.000 0.289 236 G C -2.154 172.443 174.900 -0.506 0.000 1.396 236 G CA -0.785 43.688 45.100 -1.045 0.000 0.848 236 G HN 0.767 nan 8.290 nan 0.000 0.515 237 E N -0.155 119.799 120.200 -0.410 0.000 2.272 237 E HA 0.559 4.909 4.350 -0.000 0.000 0.269 237 E C 0.489 177.116 176.600 0.044 0.000 0.877 237 E CA 0.192 56.589 56.400 -0.004 0.000 0.755 237 E CB 2.109 31.954 29.700 0.243 0.000 1.192 237 E HN 0.862 nan 8.360 nan 0.000 0.422 238 S N 3.279 119.080 115.700 0.168 0.000 4.054 238 S HA -0.409 4.061 4.470 -0.000 0.000 0.618 238 S C 1.565 176.351 174.600 0.310 0.000 2.026 238 S CA 2.693 61.085 58.200 0.320 0.000 4.205 238 S CB -1.555 61.812 63.200 0.279 0.000 0.233 238 S HN 1.091 nan 8.310 nan 0.000 0.612 239 A N 1.008 123.859 122.820 0.052 0.000 1.884 239 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 239 A C 2.746 180.155 177.584 -0.291 0.000 1.197 239 A CA 3.114 54.920 52.037 -0.386 0.000 0.637 239 A CB -1.886 16.516 19.000 -0.995 0.000 0.827 239 A HN 1.915 nan 8.150 nan 0.000 0.450 240 G N -1.428 107.218 108.800 -0.258 0.000 2.462 240 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 240 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 240 G C 1.854 176.574 174.900 -0.300 0.000 1.121 240 G CA 1.525 46.395 45.100 -0.383 0.000 0.758 240 G HN 0.573 nan 8.290 nan 0.000 0.559 241 S N 0.316 115.934 115.700 -0.137 0.000 2.345 241 S HA -0.083 4.387 4.470 -0.000 0.000 0.220 241 S C 2.703 177.296 174.600 -0.011 0.000 1.031 241 S CA 1.636 59.804 58.200 -0.054 0.000 0.996 241 S CB -0.374 62.870 63.200 0.073 0.000 0.882 241 S HN 0.325 nan 8.310 nan 0.000 0.445 242 S N 1.281 117.013 115.700 0.053 0.000 2.419 242 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 242 S C 2.040 176.679 174.600 0.065 0.000 1.019 242 S CA 1.345 59.572 58.200 0.045 0.000 0.982 242 S CB -0.367 62.918 63.200 0.142 0.000 0.789 242 S HN 0.593 nan 8.310 nan 0.000 0.490 243 S N 1.067 116.790 115.700 0.038 0.000 2.377 243 S HA -0.002 4.467 4.470 -0.000 0.000 0.223 243 S C 2.024 176.612 174.600 -0.021 0.000 1.030 243 S CA 0.734 58.926 58.200 -0.015 0.000 0.970 243 S CB -0.379 62.696 63.200 -0.209 0.000 0.830 243 S HN 0.343 nan 8.310 nan 0.000 0.473 244 V N 3.035 122.918 119.914 -0.051 0.000 2.392 244 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 244 V C 2.257 178.390 176.094 0.066 0.000 1.059 244 V CA 1.928 64.232 62.300 0.007 0.000 1.051 244 V CB -0.950 30.874 31.823 0.002 0.000 0.658 244 V HN 0.587 nan 8.190 nan 0.000 0.455 245 N N 0.014 118.746 118.700 0.054 0.000 2.058 245 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 245 N C 1.941 177.499 175.510 0.081 0.000 1.037 245 N CA 1.343 54.440 53.050 0.079 0.000 0.848 245 N CB -0.192 38.297 38.487 0.004 0.000 1.021 245 N HN 0.438 nan 8.380 nan 0.000 0.422 246 A N 0.770 123.633 122.820 0.072 0.000 1.940 246 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 246 A C 2.101 179.792 177.584 0.178 0.000 1.176 246 A CA 1.206 53.324 52.037 0.135 0.000 0.631 246 A CB -0.506 18.603 19.000 0.182 0.000 0.814 246 A HN 0.417 nan 8.150 nan 0.000 0.446 247 Q N -0.386 119.511 119.800 0.162 0.000 2.291 247 Q HA -0.018 4.322 4.340 -0.000 0.000 0.205 247 Q C 1.975 178.029 176.000 0.090 0.000 0.970 247 Q CA 1.029 56.919 55.803 0.144 0.000 0.876 247 Q CB -0.389 28.423 28.738 0.123 0.000 0.935 247 Q HN 0.764 nan 8.270 nan 0.000 0.455 248 L N -1.095 120.202 121.223 0.123 0.000 2.202 248 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 248 L C 1.924 178.892 176.870 0.163 0.000 1.083 248 L CA 0.427 55.393 54.840 0.210 0.000 0.790 248 L CB -0.230 42.007 42.059 0.297 0.000 0.942 248 L HN 0.165 nan 8.230 nan 0.000 0.452 249 M N -0.904 118.727 119.600 0.052 0.000 2.501 249 M HA 0.096 4.576 4.480 -0.000 0.000 0.261 249 M C 1.271 177.509 176.300 -0.103 0.000 1.129 249 M CA 0.302 55.582 55.300 -0.033 0.000 1.126 249 M CB -0.712 31.889 32.600 0.002 0.000 1.359 249 M HN 0.021 nan 8.290 nan 0.000 0.471 250 S N 3.691 119.281 115.700 -0.185 0.000 2.558 250 S HA 0.074 4.544 4.470 -0.000 0.000 0.288 250 S C -1.551 172.845 174.600 -0.339 0.000 1.318 250 S CA -0.843 57.117 58.200 -0.401 0.000 1.056 250 S CB 0.575 63.176 63.200 -0.997 0.000 0.853 250 S HN 0.148 nan 8.310 nan 0.000 0.505 251 P HA 0.139 nan 4.420 nan 0.000 0.257 251 P C 0.645 177.808 177.300 -0.228 0.000 1.325 251 P CA 0.067 63.050 63.100 -0.195 0.000 0.850 251 P CB 0.169 31.792 31.700 -0.129 0.000 1.324 252 V N -0.003 119.660 119.914 -0.418 0.000 3.379 252 V HA -0.004 4.116 4.120 -0.000 0.000 0.249 252 V C 2.278 178.184 176.094 -0.315 0.000 1.184 252 V CA 2.083 64.140 62.300 -0.404 0.000 1.106 252 V CB -0.362 31.002 31.823 -0.764 0.000 0.826 252 V HN 0.281 nan 8.190 nan 0.000 0.465 253 T N -2.852 111.482 114.554 -0.366 0.000 2.975 253 T HA 0.162 4.512 4.350 -0.000 0.000 0.257 253 T C 0.988 175.626 174.700 -0.103 0.000 1.003 253 T CA -0.276 61.712 62.100 -0.185 0.000 0.932 253 T CB -0.003 68.771 68.868 -0.158 0.000 1.087 253 T HN 0.237 nan 8.240 nan 0.000 0.512 254 R N 1.433 121.863 120.500 -0.116 0.000 2.474 254 R HA 0.249 4.589 4.340 -0.000 0.000 0.290 254 R C 1.354 177.657 176.300 0.005 0.000 0.918 254 R CA 1.799 57.887 56.100 -0.021 0.000 1.130 254 R CB -0.623 29.657 30.300 -0.033 0.000 0.881 254 R HN 0.615 nan 8.270 nan 0.000 0.416 255 G N 2.934 111.760 108.800 0.042 0.000 3.141 255 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.205 255 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.205 255 G C 0.574 175.455 174.900 -0.032 0.000 1.924 255 G CA -0.037 45.066 45.100 0.004 0.000 1.573 255 G HN 0.506 nan 8.290 nan 0.000 0.591 256 L N 1.083 122.291 121.223 -0.026 0.000 2.169 256 L HA -0.184 4.156 4.340 -0.000 0.000 0.244 256 L C 1.473 178.317 176.870 -0.044 0.000 1.122 256 L CA 2.770 57.593 54.840 -0.027 0.000 0.848 256 L CB -1.078 40.975 42.059 -0.011 0.000 0.953 256 L HN 0.716 nan 8.230 nan 0.000 0.447 257 V N -1.148 118.738 119.914 -0.046 0.000 2.483 257 V HA 0.276 4.396 4.120 -0.000 0.000 0.297 257 V C 0.144 176.129 176.094 -0.183 0.000 1.027 257 V CA -0.805 61.449 62.300 -0.077 0.000 0.855 257 V CB 1.526 33.343 31.823 -0.010 0.000 0.995 257 V HN 0.252 nan 8.190 nan 0.000 0.424 258 K N 3.756 123.941 120.400 -0.359 0.000 2.699 258 K HA 0.403 4.723 4.320 -0.000 0.000 0.210 258 K C 0.175 176.515 176.600 -0.432 0.000 1.076 258 K CA -0.329 55.454 56.287 -0.841 0.000 1.109 258 K CB 0.874 32.651 32.500 -1.204 0.000 0.862 258 K HN 0.558 nan 8.250 nan 0.000 0.470 259 R N 0.565 120.965 120.500 -0.166 0.000 2.512 259 R HA 0.389 4.729 4.340 -0.000 0.000 0.291 259 R C -1.352 174.991 176.300 0.071 0.000 1.097 259 R CA -0.425 55.637 56.100 -0.063 0.000 0.940 259 R CB 1.498 31.672 30.300 -0.209 0.000 1.198 259 R HN 0.266 nan 8.270 nan 0.000 0.429 260 G N 2.987 111.946 108.800 0.265 0.000 2.690 260 G HA2 0.462 4.422 3.960 -0.000 0.000 0.293 260 G HA3 0.462 4.422 3.960 -0.000 0.000 0.293 260 G C -1.621 173.504 174.900 0.375 0.000 1.399 260 G CA -0.787 44.492 45.100 0.299 0.000 0.890 260 G HN 0.505 nan 8.290 nan 0.000 0.485 261 M N 1.637 121.411 119.600 0.291 0.000 2.243 261 M HA 0.717 5.197 4.480 -0.000 0.000 0.324 261 M C -1.190 175.166 176.300 0.094 0.000 1.031 261 M CA -0.702 54.657 55.300 0.098 0.000 0.949 261 M CB 1.452 34.098 32.600 0.077 0.000 1.615 261 M HN 0.446 nan 8.290 nan 0.000 0.430 262 M N 4.576 124.194 119.600 0.029 0.000 2.243 262 M HA 0.413 4.893 4.480 -0.000 0.000 0.324 262 M C -1.204 175.133 176.300 0.062 0.000 1.031 262 M CA -0.448 54.872 55.300 0.033 0.000 0.949 262 M CB 2.097 34.712 32.600 0.024 0.000 1.615 262 M HN 0.598 nan 8.290 nan 0.000 0.430 263 Q N 1.407 121.278 119.800 0.119 0.000 2.368 263 Q HA 0.393 4.732 4.340 -0.000 0.000 0.263 263 Q C -0.430 175.693 176.000 0.205 0.000 1.009 263 Q CA -0.545 55.398 55.803 0.234 0.000 0.818 263 Q CB 1.609 30.523 28.738 0.293 0.000 1.239 263 Q HN 0.871 nan 8.270 nan 0.000 0.464 264 S N 1.398 117.225 115.700 0.212 0.000 3.405 264 S HA -0.157 4.313 4.470 -0.000 0.000 0.373 264 S C 0.057 174.937 174.600 0.466 0.000 0.939 264 S CA 0.544 58.927 58.200 0.304 0.000 1.295 264 S CB -1.149 62.182 63.200 0.218 0.000 0.919 264 S HN 0.955 nan 8.310 nan 0.000 0.535 265 G N 0.649 109.664 108.800 0.359 0.000 2.193 265 G HA2 0.536 4.496 3.960 -0.000 0.000 0.305 265 G HA3 0.536 4.496 3.960 -0.000 0.000 0.305 265 G C -0.765 174.169 174.900 0.057 0.000 1.427 265 G CA 0.051 45.381 45.100 0.383 0.000 1.137 265 G HN 0.931 nan 8.290 nan 0.000 0.576 266 T N 0.756 115.207 114.554 -0.172 0.000 3.071 266 T HA 0.385 4.735 4.350 -0.000 0.000 0.311 266 T C 1.491 175.818 174.700 -0.622 0.000 1.042 266 T CA -0.819 61.048 62.100 -0.389 0.000 1.028 266 T CB 1.618 70.278 68.868 -0.346 0.000 1.068 266 T HN 0.317 nan 8.240 nan 0.000 0.451 267 M N 2.481 121.697 119.600 -0.639 0.000 2.195 267 M HA -0.207 4.273 4.480 -0.000 0.000 0.254 267 M C 2.161 178.049 176.300 -0.686 0.000 1.083 267 M CA 1.960 56.915 55.300 -0.574 0.000 1.069 267 M CB -1.087 31.228 32.600 -0.476 0.000 1.364 267 M HN 0.860 nan 8.290 nan 0.000 0.403 268 N N 1.288 119.534 118.700 -0.757 0.000 2.244 268 N HA -0.024 4.716 4.740 -0.000 0.000 0.183 268 N C 0.777 175.967 175.510 -0.533 0.000 1.016 268 N CA 0.916 53.595 53.050 -0.618 0.000 0.866 268 N CB -0.767 37.514 38.487 -0.343 0.000 0.980 268 N HN 0.271 nan 8.380 nan 0.000 0.430 269 A N 2.249 124.746 122.820 -0.539 0.000 2.583 269 A HA 0.101 4.421 4.320 -0.000 0.000 0.231 269 A C -1.102 176.229 177.584 -0.422 0.000 1.065 269 A CA -0.637 51.054 52.037 -0.575 0.000 0.760 269 A CB -0.114 18.318 19.000 -0.947 0.000 1.001 269 A HN 0.143 nan 8.150 nan 0.000 0.509 270 P HA -0.153 nan 4.420 nan 0.000 0.216 270 P C 1.311 178.594 177.300 -0.028 0.000 1.150 270 P CA 1.943 64.993 63.100 -0.083 0.000 0.837 270 P CB -0.073 31.565 31.700 -0.104 0.000 0.786 271 W N -1.782 119.530 121.300 0.020 0.000 2.942 271 W HA 0.337 4.997 4.660 -0.000 0.000 0.263 271 W C 1.293 177.910 176.519 0.164 0.000 1.296 271 W CA 0.551 57.941 57.345 0.074 0.000 1.504 271 W CB -1.423 28.078 29.460 0.068 0.000 1.096 271 W HN -0.042 nan 8.180 nan 0.000 0.639 272 S N 0.959 116.335 115.700 -0.540 0.000 2.593 272 S HA -0.031 4.438 4.470 -0.000 0.000 0.217 272 S C 0.432 174.934 174.600 -0.163 0.000 0.966 272 S CA 0.210 58.199 58.200 -0.353 0.000 0.914 272 S CB -0.717 61.987 63.200 -0.827 0.000 0.776 272 S HN 0.450 nan 8.310 nan 0.000 0.523 273 H N -0.940 117.956 119.070 -0.290 0.000 3.017 273 H HA 0.640 5.196 4.556 -0.000 0.000 0.346 273 H C -1.192 174.032 175.328 -0.174 0.000 1.286 273 H CA -1.130 54.768 56.048 -0.250 0.000 1.120 273 H CB 0.894 30.517 29.762 -0.232 0.000 1.860 273 H HN 0.314 nan 8.280 nan 0.000 0.542 274 M N 2.022 121.448 119.600 -0.291 0.000 2.471 274 M HA 0.292 4.772 4.480 -0.000 0.000 0.284 274 M C -1.102 175.090 176.300 -0.179 0.000 1.203 274 M CA -0.370 54.748 55.300 -0.304 0.000 0.915 274 M CB 2.366 34.839 32.600 -0.212 0.000 1.734 274 M HN 0.962 nan 8.290 nan 0.000 0.485 275 T N 0.415 114.882 114.554 -0.146 0.000 2.802 275 T HA 0.156 4.506 4.350 -0.000 0.000 0.305 275 T C 0.932 175.575 174.700 -0.095 0.000 1.053 275 T CA 0.151 62.201 62.100 -0.083 0.000 1.058 275 T CB 1.258 70.097 68.868 -0.047 0.000 0.988 275 T HN 0.756 nan 8.240 nan 0.000 0.539 276 S N 0.675 116.327 115.700 -0.080 0.000 2.353 276 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 276 S C 1.862 176.520 174.600 0.096 0.000 1.035 276 S CA 1.604 59.763 58.200 -0.067 0.000 1.025 276 S CB -0.761 62.511 63.200 0.120 0.000 0.902 276 S HN 0.768 nan 8.310 nan 0.000 0.440 277 E N 1.125 121.365 120.200 0.065 0.000 2.082 277 E HA -0.302 4.048 4.350 -0.000 0.000 0.215 277 E C 2.153 178.778 176.600 0.043 0.000 1.048 277 E CA 1.729 58.162 56.400 0.055 0.000 0.869 277 E CB -0.574 29.143 29.700 0.027 0.000 0.773 277 E HN 0.603 nan 8.360 nan 0.000 0.466 278 K N 0.573 120.979 120.400 0.011 0.000 2.283 278 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 278 K C 2.043 178.652 176.600 0.015 0.000 1.048 278 K CA 0.884 57.172 56.287 0.001 0.000 0.948 278 K CB -0.028 32.454 32.500 -0.030 0.000 0.742 278 K HN 0.154 nan 8.250 nan 0.000 0.458 279 A N 0.179 123.021 122.820 0.035 0.000 1.929 279 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 279 A C 2.090 179.736 177.584 0.103 0.000 1.176 279 A CA 1.170 53.249 52.037 0.071 0.000 0.628 279 A CB -0.286 18.758 19.000 0.073 0.000 0.816 279 A HN 0.134 nan 8.150 nan 0.000 0.444 280 V N -0.010 119.975 119.914 0.119 0.000 2.323 280 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 280 V C 2.528 178.631 176.094 0.014 0.000 1.041 280 V CA 1.890 64.219 62.300 0.049 0.000 1.025 280 V CB -0.731 31.116 31.823 0.040 0.000 0.656 280 V HN 0.486 nan 8.190 nan 0.000 0.451 281 E N 0.394 120.607 120.200 0.021 0.000 2.035 281 E HA -0.244 4.106 4.350 -0.000 0.000 0.204 281 E C 2.130 178.734 176.600 0.007 0.000 1.025 281 E CA 1.970 58.376 56.400 0.011 0.000 0.835 281 E CB -0.425 29.284 29.700 0.014 0.000 0.764 281 E HN 0.559 nan 8.360 nan 0.000 0.457 282 I N 0.546 121.124 120.570 0.012 0.000 2.657 282 I HA -0.188 3.981 4.170 -0.000 0.000 0.261 282 I C 2.337 178.448 176.117 -0.010 0.000 1.212 282 I CA 0.905 62.211 61.300 0.011 0.000 1.453 282 I CB -0.561 37.450 38.000 0.018 0.000 1.092 282 I HN 0.107 nan 8.210 nan 0.000 0.452 283 G N 1.340 110.129 108.800 -0.018 0.000 2.424 283 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 283 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 283 G C 1.700 176.555 174.900 -0.076 0.000 1.202 283 G CA 0.314 45.377 45.100 -0.062 0.000 0.793 283 G HN 0.299 nan 8.290 nan 0.000 0.534 284 K N 0.841 121.209 120.400 -0.052 0.000 2.103 284 K HA 0.026 4.346 4.320 -0.000 0.000 0.207 284 K C 2.735 179.316 176.600 -0.031 0.000 1.048 284 K CA 0.998 57.257 56.287 -0.047 0.000 0.930 284 K CB -0.243 32.239 32.500 -0.030 0.000 0.716 284 K HN 0.256 nan 8.250 nan 0.000 0.444 285 A N 0.799 123.610 122.820 -0.016 0.000 2.186 285 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 285 A C 1.953 179.536 177.584 -0.001 0.000 1.159 285 A CA 1.079 53.118 52.037 0.003 0.000 0.680 285 A CB -0.255 18.757 19.000 0.021 0.000 0.787 285 A HN 0.259 nan 8.150 nan 0.000 0.467 286 L N -1.476 119.729 121.223 -0.031 0.000 2.515 286 L HA 0.299 4.639 4.340 -0.000 0.000 0.223 286 L C 1.933 178.774 176.870 -0.048 0.000 1.079 286 L CA 0.749 55.564 54.840 -0.042 0.000 0.857 286 L CB -0.044 41.962 42.059 -0.090 0.000 1.050 286 L HN 0.352 nan 8.230 nan 0.000 0.476 287 I N -0.404 120.129 120.570 -0.062 0.000 2.188 287 I HA -0.178 3.992 4.170 -0.000 0.000 0.237 287 I C 1.870 177.969 176.117 -0.030 0.000 1.073 287 I CA 0.828 62.092 61.300 -0.060 0.000 1.359 287 I CB -0.401 37.551 38.000 -0.079 0.000 1.083 287 I HN 0.259 nan 8.210 nan 0.000 0.412 288 N N 0.843 119.530 118.700 -0.020 0.000 2.166 288 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 288 N C 1.398 176.914 175.510 0.009 0.000 1.019 288 N CA 1.583 54.631 53.050 -0.003 0.000 0.856 288 N CB -0.455 38.032 38.487 0.001 0.000 0.993 288 N HN 0.331 nan 8.380 nan 0.000 0.426 289 D N -0.516 119.892 120.400 0.012 0.000 2.263 289 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 289 D C 0.260 176.576 176.300 0.028 0.000 0.971 289 D CA 0.678 54.694 54.000 0.028 0.000 0.867 289 D CB 0.169 40.991 40.800 0.036 0.000 0.929 289 D HN 0.190 nan 8.370 nan 0.000 0.492 290 C N 0.697 120.006 119.300 0.015 0.000 2.361 290 C HA 0.404 4.864 4.460 -0.000 0.000 0.336 290 C C 0.885 175.883 174.990 0.013 0.000 1.406 290 C CA 0.282 59.312 59.018 0.020 0.000 1.763 290 C CB -1.944 25.807 27.740 0.018 0.000 2.761 290 C HN 0.549 nan 8.230 nan 0.000 0.566 291 N N -0.568 118.142 118.700 0.016 0.000 2.702 291 N HA -0.248 4.492 4.740 -0.000 0.000 0.255 291 N C 0.251 175.761 175.510 0.000 0.000 0.983 291 N CA 1.220 54.279 53.050 0.015 0.000 0.768 291 N CB -2.123 36.378 38.487 0.024 0.000 0.918 291 N HN 0.779 nan 8.380 nan 0.000 0.540 292 c N 0.094 118.684 118.600 -0.017 0.000 3.365 292 c HA 0.327 4.897 4.570 -0.000 0.000 0.266 292 c C 0.511 174.577 174.090 -0.040 0.000 1.631 292 c CA -0.578 55.718 56.329 -0.057 0.000 1.789 292 c CB -1.207 41.249 42.510 -0.090 0.000 3.088 292 c HN 0.841 nan 8.230 nan 0.000 0.547 293 N N 1.631 120.329 118.700 -0.004 0.000 2.620 293 N HA -0.199 4.541 4.740 -0.000 0.000 0.293 293 N C 0.496 176.001 175.510 -0.008 0.000 1.178 293 N CA 0.971 54.026 53.050 0.009 0.000 0.750 293 N CB -0.273 38.239 38.487 0.041 0.000 0.949 293 N HN 0.736 nan 8.380 nan 0.000 0.555 294 A N 0.426 123.234 122.820 -0.021 0.000 2.358 294 A HA 0.145 4.465 4.320 -0.000 0.000 0.232 294 A C 1.216 178.786 177.584 -0.024 0.000 1.498 294 A CA 0.339 52.355 52.037 -0.035 0.000 1.400 294 A CB -0.108 18.868 19.000 -0.039 0.000 0.852 294 A HN 0.444 nan 8.150 nan 0.000 0.605 295 S N -0.923 114.770 115.700 -0.011 0.000 2.603 295 S HA 0.165 4.635 4.470 -0.000 0.000 0.232 295 S C 1.285 175.883 174.600 -0.005 0.000 1.016 295 S CA -0.179 58.017 58.200 -0.005 0.000 0.976 295 S CB 0.196 63.399 63.200 0.004 0.000 0.921 295 S HN 0.572 nan 8.310 nan 0.000 0.516 296 M N 1.273 120.870 119.600 -0.006 0.000 2.461 296 M HA 0.330 4.810 4.480 -0.000 0.000 0.255 296 M C 1.349 177.626 176.300 -0.038 0.000 1.137 296 M CA 0.124 55.420 55.300 -0.007 0.000 1.086 296 M CB -0.770 31.843 32.600 0.022 0.000 1.356 296 M HN 0.198 nan 8.290 nan 0.000 0.487 297 L N 0.819 122.005 121.223 -0.062 0.000 2.223 297 L HA -0.381 3.959 4.340 -0.000 0.000 0.230 297 L C 1.909 178.722 176.870 -0.094 0.000 1.110 297 L CA 2.022 56.801 54.840 -0.102 0.000 0.834 297 L CB -1.191 40.816 42.059 -0.087 0.000 0.915 297 L HN 0.357 nan 8.230 nan 0.000 0.450 298 K N -1.353 119.020 120.400 -0.044 0.000 2.362 298 K HA -0.070 4.250 4.320 -0.000 0.000 0.200 298 K C 1.281 177.884 176.600 0.005 0.000 1.046 298 K CA 1.508 57.788 56.287 -0.012 0.000 0.952 298 K CB 0.025 32.525 32.500 0.000 0.000 0.753 298 K HN 0.491 nan 8.250 nan 0.000 0.466 299 T N -2.112 112.435 114.554 -0.012 0.000 3.191 299 T HA 0.050 4.400 4.350 -0.000 0.000 0.285 299 T C 0.318 175.017 174.700 -0.002 0.000 0.887 299 T CA 0.152 62.259 62.100 0.012 0.000 0.881 299 T CB 0.355 69.235 68.868 0.020 0.000 1.217 299 T HN 0.340 nan 8.240 nan 0.000 0.591 300 N N 1.720 120.394 118.700 -0.043 0.000 2.651 300 N HA 0.436 5.176 4.740 -0.000 0.000 0.277 300 N C -2.362 173.090 175.510 -0.097 0.000 1.787 300 N CA -0.958 52.071 53.050 -0.036 0.000 0.818 300 N CB 0.067 38.559 38.487 0.008 0.000 1.316 300 N HN 0.011 nan 8.380 nan 0.000 0.503 301 P HA -0.072 nan 4.420 nan 0.000 0.217 301 P C 2.015 179.121 177.300 -0.323 0.000 1.150 301 P CA 1.873 64.726 63.100 -0.412 0.000 0.832 301 P CB 0.312 31.473 31.700 -0.900 0.000 0.787 302 A N -0.371 122.278 122.820 -0.286 0.000 1.873 302 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 302 A C 2.359 179.936 177.584 -0.012 0.000 1.193 302 A CA 1.987 53.963 52.037 -0.102 0.000 0.629 302 A CB -2.041 16.962 19.000 0.005 0.000 0.826 302 A HN 0.259 nan 8.150 nan 0.000 0.447 303 H N 0.214 119.242 119.070 -0.070 0.000 2.289 303 H HA -0.164 4.392 4.556 -0.000 0.000 0.296 303 H C 2.124 177.433 175.328 -0.032 0.000 1.091 303 H CA 2.808 58.834 56.048 -0.037 0.000 1.274 303 H CB -0.158 29.585 29.762 -0.031 0.000 1.364 303 H HN 0.346 nan 8.280 nan 0.000 0.490 304 V N -0.131 119.659 119.914 -0.208 0.000 2.255 304 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 304 V C 2.723 178.722 176.094 -0.159 0.000 1.051 304 V CA 1.748 63.904 62.300 -0.241 0.000 1.018 304 V CB -0.854 30.883 31.823 -0.143 0.000 0.641 304 V HN 0.253 nan 8.190 nan 0.000 0.445 305 M N 2.379 121.918 119.600 -0.102 0.000 2.084 305 M HA -0.141 4.339 4.480 -0.000 0.000 0.259 305 M C 2.693 179.003 176.300 0.017 0.000 1.072 305 M CA 2.652 57.946 55.300 -0.010 0.000 1.107 305 M CB -2.098 30.499 32.600 -0.006 0.000 1.299 305 M HN 0.767 nan 8.290 nan 0.000 0.413 306 S N -0.723 114.971 115.700 -0.011 0.000 2.461 306 S HA -0.179 4.291 4.470 -0.000 0.000 0.246 306 S C 2.280 176.863 174.600 -0.028 0.000 1.007 306 S CA 1.415 59.617 58.200 0.003 0.000 0.976 306 S CB -1.280 61.936 63.200 0.027 0.000 0.763 306 S HN 0.592 nan 8.310 nan 0.000 0.508 307 c N 0.857 119.392 118.600 -0.109 0.000 2.564 307 c HA 0.248 4.817 4.570 -0.000 0.000 0.281 307 c C 2.686 176.758 174.090 -0.030 0.000 1.314 307 c CA 0.571 56.813 56.329 -0.145 0.000 1.706 307 c CB -1.019 41.279 42.510 -0.354 0.000 2.109 307 c HN 0.541 nan 8.230 nan 0.000 0.502 308 M N 1.502 121.114 119.600 0.020 0.000 2.149 308 M HA -0.030 4.450 4.480 -0.000 0.000 0.261 308 M C 0.989 177.400 176.300 0.184 0.000 1.064 308 M CA 1.304 56.701 55.300 0.162 0.000 1.102 308 M CB -1.326 31.435 32.600 0.268 0.000 1.369 308 M HN 0.425 nan 8.290 nan 0.000 0.408 309 R N 0.087 120.658 120.500 0.118 0.000 2.370 309 R HA 0.268 4.608 4.340 -0.000 0.000 0.309 309 R C 0.680 176.993 176.300 0.022 0.000 1.059 309 R CA 0.316 56.434 56.100 0.029 0.000 0.981 309 R CB 0.463 30.770 30.300 0.012 0.000 0.972 309 R HN 0.199 nan 8.270 nan 0.000 0.437 310 S N 0.183 115.894 115.700 0.018 0.000 1.323 310 S HA -0.146 4.324 4.470 -0.000 0.000 0.253 310 S C 0.110 174.731 174.600 0.035 0.000 0.554 310 S CA 0.177 58.390 58.200 0.022 0.000 0.911 310 S CB -0.716 62.496 63.200 0.020 0.000 0.720 310 S HN 0.358 nan 8.310 nan 0.000 0.488 311 V N 5.005 124.948 119.914 0.049 0.000 2.583 311 V HA 0.004 4.124 4.120 -0.000 0.000 0.302 311 V C 0.400 176.542 176.094 0.080 0.000 1.033 311 V CA 0.784 63.123 62.300 0.064 0.000 1.194 311 V CB -0.504 31.366 31.823 0.078 0.000 0.879 311 V HN 0.461 nan 8.190 nan 0.000 0.482 312 D N 3.678 124.121 120.400 0.073 0.000 2.406 312 D HA 0.245 4.885 4.640 -0.000 0.000 0.234 312 D C 1.140 177.520 176.300 0.132 0.000 1.196 312 D CA 0.714 54.761 54.000 0.078 0.000 0.881 312 D CB 0.637 41.475 40.800 0.063 0.000 1.205 312 D HN 0.617 nan 8.370 nan 0.000 0.453 313 A N 2.170 125.073 122.820 0.139 0.000 1.851 313 A HA -0.244 4.075 4.320 -0.000 0.000 0.216 313 A C 1.991 179.745 177.584 0.283 0.000 1.195 313 A CA 1.301 53.491 52.037 0.254 0.000 0.622 313 A CB -0.414 18.623 19.000 0.061 0.000 0.831 313 A HN 0.439 nan 8.150 nan 0.000 0.444 314 K N -0.643 119.858 120.400 0.168 0.000 2.107 314 K HA -0.184 4.136 4.320 -0.000 0.000 0.211 314 K C 2.147 178.846 176.600 0.165 0.000 1.049 314 K CA 2.119 58.501 56.287 0.157 0.000 0.927 314 K CB -1.071 31.490 32.500 0.102 0.000 0.714 314 K HN 0.597 nan 8.250 nan 0.000 0.452 315 T N 1.749 116.387 114.554 0.140 0.000 2.595 315 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 315 T C 2.071 176.847 174.700 0.127 0.000 1.058 315 T CA 1.627 63.799 62.100 0.119 0.000 1.166 315 T CB -0.244 68.681 68.868 0.095 0.000 0.863 315 T HN 0.182 nan 8.240 nan 0.000 0.415 316 I N 0.888 121.538 120.570 0.134 0.000 2.163 316 I HA -0.212 3.957 4.170 -0.000 0.000 0.243 316 I C 2.825 178.967 176.117 0.041 0.000 1.085 316 I CA 1.100 62.434 61.300 0.056 0.000 1.347 316 I CB -0.506 37.488 38.000 -0.011 0.000 1.044 316 I HN 0.249 nan 8.210 nan 0.000 0.408 317 S N 0.214 116.040 115.700 0.210 0.000 2.387 317 S HA -0.153 4.316 4.470 -0.000 0.000 0.230 317 S C 1.938 176.684 174.600 0.242 0.000 1.035 317 S CA 1.584 59.953 58.200 0.282 0.000 1.014 317 S CB -0.111 63.331 63.200 0.403 0.000 0.836 317 S HN 0.258 nan 8.310 nan 0.000 0.466 318 V N 1.012 121.066 119.914 0.233 0.000 2.500 318 V HA 0.027 4.147 4.120 -0.000 0.000 0.243 318 V C 2.215 178.456 176.094 0.245 0.000 1.039 318 V CA 1.161 63.627 62.300 0.276 0.000 1.053 318 V CB -0.537 31.408 31.823 0.204 0.000 0.695 318 V HN 0.468 nan 8.190 nan 0.000 0.463 319 Q N 0.374 120.269 119.800 0.158 0.000 2.515 319 Q HA -0.189 4.151 4.340 -0.000 0.000 0.212 319 Q C 2.173 178.239 176.000 0.110 0.000 0.970 319 Q CA 0.921 56.801 55.803 0.128 0.000 0.941 319 Q CB 0.019 28.809 28.738 0.086 0.000 0.998 319 Q HN 0.853 nan 8.270 nan 0.000 0.518 320 Q N -0.969 118.882 119.800 0.085 0.000 2.061 320 Q HA -0.147 4.193 4.340 -0.000 0.000 0.195 320 Q C 1.357 177.413 176.000 0.095 0.000 0.967 320 Q CA 0.560 56.367 55.803 0.006 0.000 0.829 320 Q CB -0.758 27.902 28.738 -0.130 0.000 0.900 320 Q HN 0.379 nan 8.270 nan 0.000 0.450 321 W N 2.270 123.653 121.300 0.138 0.000 2.401 321 W HA -0.161 4.499 4.660 -0.000 0.000 0.264 321 W C 1.750 178.375 176.519 0.177 0.000 1.209 321 W CA 0.742 58.184 57.345 0.162 0.000 1.170 321 W CB -0.046 29.494 29.460 0.133 0.000 1.134 321 W HN 0.321 nan 8.180 nan 0.000 0.587 322 N N -0.280 118.642 118.700 0.370 0.000 2.080 322 N HA -0.116 4.624 4.740 -0.000 0.000 0.189 322 N C 1.151 176.832 175.510 0.285 0.000 1.036 322 N CA 1.428 54.648 53.050 0.285 0.000 0.846 322 N CB -1.082 37.515 38.487 0.184 0.000 1.015 322 N HN -0.125 nan 8.380 nan 0.000 0.423 323 S N 0.955 116.789 115.700 0.223 0.000 3.269 323 S HA -0.102 4.368 4.470 -0.000 0.000 0.252 323 S C -0.158 174.596 174.600 0.255 0.000 1.087 323 S CA 0.075 58.382 58.200 0.178 0.000 1.242 323 S CB -1.189 62.075 63.200 0.107 0.000 1.044 323 S HN 0.313 nan 8.310 nan 0.000 0.482 324 Y N 1.436 121.851 120.300 0.192 0.000 2.944 324 Y HA 0.298 4.848 4.550 -0.000 0.000 0.335 324 Y C 0.564 176.541 175.900 0.130 0.000 1.075 324 Y CA -0.838 57.392 58.100 0.216 0.000 1.240 324 Y CB 0.124 38.834 38.460 0.416 0.000 1.167 324 Y HN 0.057 nan 8.280 nan 0.000 0.555 325 S N 3.032 118.674 115.700 -0.097 0.000 2.906 325 S HA 0.422 4.892 4.470 -0.000 0.000 0.234 325 S C 0.593 175.066 174.600 -0.213 0.000 0.973 325 S CA 0.614 58.754 58.200 -0.100 0.000 1.036 325 S CB -0.804 62.366 63.200 -0.050 0.000 0.798 325 S HN 1.035 nan 8.310 nan 0.000 0.498 326 G N 0.726 109.250 108.800 -0.461 0.000 2.369 326 G HA2 0.109 4.069 3.960 -0.000 0.000 0.307 326 G HA3 0.109 4.069 3.960 -0.000 0.000 0.307 326 G C -0.985 173.550 174.900 -0.608 0.000 1.327 326 G CA -1.143 43.732 45.100 -0.374 0.000 0.963 326 G HN 0.258 nan 8.290 nan 0.000 0.590 327 I N 0.887 121.255 120.570 -0.338 0.000 2.710 327 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 327 I C 1.523 177.252 176.117 -0.646 0.000 1.181 327 I CA 0.100 61.176 61.300 -0.374 0.000 1.430 327 I CB 0.104 37.927 38.000 -0.295 0.000 1.367 327 I HN 0.834 nan 8.210 nan 0.000 0.577 328 L N 4.931 125.729 121.223 -0.707 0.000 4.111 328 L HA -0.251 4.089 4.340 -0.000 0.000 0.428 328 L C 0.679 177.163 176.870 -0.642 0.000 1.149 328 L CA 0.742 55.032 54.840 -0.916 0.000 0.981 328 L CB -1.580 39.696 42.059 -1.305 0.000 1.914 328 L HN 0.733 nan 8.230 nan 0.000 1.016 329 S N -0.288 115.009 115.700 -0.671 0.000 2.438 329 S HA 0.432 4.901 4.470 -0.000 0.000 0.227 329 S C 0.425 174.874 174.600 -0.252 0.000 1.265 329 S CA -0.732 57.255 58.200 -0.355 0.000 1.265 329 S CB -0.139 62.863 63.200 -0.331 0.000 0.987 329 S HN 0.210 nan 8.310 nan 0.000 0.502 330 F N 2.635 122.678 119.950 0.155 0.000 2.650 330 F HA 0.162 4.689 4.527 -0.000 0.000 0.355 330 F C -0.679 175.185 175.800 0.106 0.000 1.163 330 F CA -1.325 56.833 58.000 0.263 0.000 1.374 330 F CB 0.153 39.300 39.000 0.245 0.000 1.065 330 F HN 0.268 nan 8.300 nan 0.000 0.616 331 P HA -0.000 nan 4.420 nan 0.000 0.245 331 P C -0.339 176.988 177.300 0.045 0.000 1.212 331 P CA 0.583 63.749 63.100 0.111 0.000 0.774 331 P CB 0.649 32.401 31.700 0.087 0.000 0.999 332 S N -0.891 114.830 115.700 0.036 0.000 2.572 332 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 332 S C -1.029 173.370 174.600 -0.334 0.000 1.150 332 S CA -0.302 57.844 58.200 -0.089 0.000 0.944 332 S CB 1.656 64.863 63.200 0.011 0.000 1.071 332 S HN 0.291 nan 8.310 nan 0.000 0.479 333 A N 4.096 126.547 122.820 -0.616 0.000 2.540 333 A HA 0.797 5.117 4.320 -0.000 0.000 0.291 333 A C -3.309 173.761 177.584 -0.857 0.000 1.083 333 A CA -1.310 50.121 52.037 -1.009 0.000 0.650 333 A CB 0.437 19.190 19.000 -0.412 0.000 1.292 333 A HN 0.466 nan 8.150 nan 0.000 0.435 334 P HA 0.096 nan 4.420 nan 0.000 0.255 334 P C -0.116 177.059 177.300 -0.207 0.000 1.173 334 P CA 1.119 63.985 63.100 -0.391 0.000 0.780 334 P CB -0.062 31.430 31.700 -0.346 0.000 0.758 335 T N 1.694 116.185 114.554 -0.105 0.000 2.902 335 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 335 T C 0.502 175.133 174.700 -0.116 0.000 1.009 335 T CA -0.958 61.057 62.100 -0.142 0.000 1.051 335 T CB 0.900 69.644 68.868 -0.207 0.000 0.999 335 T HN 0.120 nan 8.240 nan 0.000 0.474 336 I N 3.556 124.051 120.570 -0.125 0.000 2.453 336 I HA 0.087 4.257 4.170 -0.000 0.000 0.300 336 I C 0.539 176.604 176.117 -0.087 0.000 1.159 336 I CA -0.318 60.946 61.300 -0.060 0.000 1.379 336 I CB -0.143 37.842 38.000 -0.026 0.000 1.460 336 I HN 0.760 nan 8.210 nan 0.000 0.601 337 D N 3.521 123.918 120.400 -0.005 0.000 2.349 337 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 337 D C 1.496 177.890 176.300 0.157 0.000 1.063 337 D CA 0.381 54.444 54.000 0.104 0.000 0.847 337 D CB 0.433 41.361 40.800 0.215 0.000 0.933 337 D HN 0.632 nan 8.370 nan 0.000 0.513 338 G N -0.168 108.696 108.800 0.107 0.000 2.189 338 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 338 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 338 G C 0.845 175.817 174.900 0.119 0.000 0.975 338 G CA 0.846 46.004 45.100 0.096 0.000 0.644 338 G HN 0.815 nan 8.290 nan 0.000 0.537 339 A N -0.604 122.323 122.820 0.177 0.000 2.538 339 A HA 0.750 5.070 4.320 -0.000 0.000 0.214 339 A C 1.559 179.241 177.584 0.164 0.000 2.355 339 A CA 1.052 53.233 52.037 0.240 0.000 1.493 339 A CB -0.534 18.724 19.000 0.430 0.000 1.143 339 A HN 0.741 nan 8.150 nan 0.000 0.452 340 F N -0.155 119.834 119.950 0.065 0.000 2.216 340 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 340 F C 0.697 176.430 175.800 -0.113 0.000 1.085 340 F CA 1.256 59.141 58.000 -0.191 0.000 1.326 340 F CB 0.230 38.986 39.000 -0.408 0.000 1.027 340 F HN 0.099 nan 8.300 nan 0.000 0.497 341 L N 0.857 122.169 121.223 0.149 0.000 2.433 341 L HA 0.256 4.596 4.340 -0.000 0.000 0.256 341 L C -1.926 174.968 176.870 0.040 0.000 1.063 341 L CA -1.815 53.066 54.840 0.069 0.000 0.922 341 L CB 1.085 43.194 42.059 0.084 0.000 1.238 341 L HN -0.172 nan 8.230 nan 0.000 0.466 342 P HA -0.067 nan 4.420 nan 0.000 0.215 342 P C 0.216 177.524 177.300 0.014 0.000 1.153 342 P CA 0.917 64.026 63.100 0.015 0.000 0.853 342 P CB 0.407 32.102 31.700 -0.008 0.000 0.788 343 A N -1.677 121.144 122.820 0.002 0.000 2.535 343 A HA 0.471 4.791 4.320 -0.000 0.000 0.296 343 A C -1.259 176.324 177.584 -0.002 0.000 1.248 343 A CA -0.461 51.578 52.037 0.004 0.000 0.686 343 A CB -0.145 18.854 19.000 -0.001 0.000 1.315 343 A HN -0.033 nan 8.150 nan 0.000 0.460 344 D N -0.068 120.332 120.400 0.001 0.000 2.488 344 D HA 0.279 4.918 4.640 -0.000 0.000 0.238 344 D C -1.617 174.647 176.300 -0.060 0.000 1.138 344 D CA -0.688 53.305 54.000 -0.011 0.000 0.873 344 D CB 0.839 41.638 40.800 -0.002 0.000 1.183 344 D HN 0.084 nan 8.370 nan 0.000 0.458 345 P HA -0.234 nan 4.420 nan 0.000 0.217 345 P C 1.259 178.539 177.300 -0.034 0.000 1.158 345 P CA 1.576 64.587 63.100 -0.148 0.000 0.887 345 P CB 0.061 31.540 31.700 -0.369 0.000 0.792 346 M N -2.027 117.537 119.600 -0.059 0.000 2.476 346 M HA -0.012 4.468 4.480 -0.000 0.000 0.262 346 M C 1.509 177.808 176.300 -0.001 0.000 1.079 346 M CA 1.525 56.831 55.300 0.010 0.000 1.104 346 M CB -1.742 30.852 32.600 -0.011 0.000 1.409 346 M HN -0.054 nan 8.290 nan 0.000 0.467 347 T N 0.500 115.045 114.554 -0.014 0.000 3.054 347 T HA 0.156 4.506 4.350 -0.000 0.000 0.259 347 T C 1.977 176.667 174.700 -0.015 0.000 1.092 347 T CA 0.459 62.552 62.100 -0.011 0.000 1.121 347 T CB 0.159 69.022 68.868 -0.008 0.000 0.912 347 T HN 0.303 nan 8.240 nan 0.000 0.489 348 L N 0.110 121.324 121.223 -0.015 0.000 2.131 348 L HA 0.043 4.383 4.340 -0.000 0.000 0.206 348 L C 2.605 179.454 176.870 -0.035 0.000 1.087 348 L CA 0.588 55.413 54.840 -0.025 0.000 0.767 348 L CB -0.525 41.520 42.059 -0.023 0.000 0.917 348 L HN 0.214 nan 8.230 nan 0.000 0.441 349 M N 0.429 120.016 119.600 -0.022 0.000 2.080 349 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 349 M C 2.185 178.448 176.300 -0.061 0.000 1.068 349 M CA 1.725 56.989 55.300 -0.059 0.000 1.109 349 M CB -0.905 31.659 32.600 -0.061 0.000 1.342 349 M HN 0.145 nan 8.290 nan 0.000 0.405 350 K N -0.586 119.791 120.400 -0.039 0.000 2.049 350 K HA -0.153 4.167 4.320 -0.000 0.000 0.219 350 K C 0.458 177.033 176.600 -0.041 0.000 1.056 350 K CA 1.636 57.902 56.287 -0.035 0.000 0.946 350 K CB -0.564 31.922 32.500 -0.023 0.000 0.723 350 K HN 0.291 nan 8.250 nan 0.000 0.453 351 T N 1.026 115.556 114.554 -0.040 0.000 3.145 351 T HA 0.542 4.892 4.350 -0.000 0.000 0.362 351 T C -0.812 173.854 174.700 -0.056 0.000 1.340 351 T CA -0.411 61.664 62.100 -0.042 0.000 1.069 351 T CB 1.001 69.850 68.868 -0.032 0.000 1.129 351 T HN 0.326 nan 8.240 nan 0.000 0.585 352 A N 2.371 125.149 122.820 -0.071 0.000 2.597 352 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 352 A C -1.894 175.627 177.584 -0.105 0.000 1.057 352 A CA -0.954 51.025 52.037 -0.096 0.000 0.674 352 A CB 1.564 20.487 19.000 -0.128 0.000 1.278 352 A HN 0.516 nan 8.150 nan 0.000 0.416 353 D N 0.985 121.316 120.400 -0.115 0.000 2.505 353 D HA 0.556 5.196 4.640 -0.000 0.000 0.250 353 D C -0.304 175.907 176.300 -0.148 0.000 1.164 353 D CA -0.260 53.683 54.000 -0.095 0.000 0.870 353 D CB 0.874 41.649 40.800 -0.042 0.000 1.160 353 D HN 0.322 nan 8.370 nan 0.000 0.549 354 L N 4.205 125.322 121.223 -0.176 0.000 2.872 354 L HA 0.248 4.588 4.340 -0.000 0.000 0.245 354 L C 2.143 179.060 176.870 0.078 0.000 1.211 354 L CA -0.386 54.301 54.840 -0.255 0.000 1.013 354 L CB -0.014 41.824 42.059 -0.368 0.000 1.326 354 L HN 0.461 nan 8.230 nan 0.000 0.525 355 K N 1.051 121.497 120.400 0.076 0.000 2.052 355 K HA -0.233 4.087 4.320 -0.000 0.000 0.215 355 K C 0.590 177.275 176.600 0.142 0.000 1.053 355 K CA 2.062 58.405 56.287 0.092 0.000 0.934 355 K CB 0.160 32.694 32.500 0.058 0.000 0.717 355 K HN 0.310 nan 8.250 nan 0.000 0.450 356 D N -0.439 120.080 120.400 0.199 0.000 2.336 356 D HA 0.018 4.658 4.640 -0.000 0.000 0.228 356 D C -0.637 175.723 176.300 0.101 0.000 1.120 356 D CA 0.247 54.317 54.000 0.118 0.000 0.839 356 D CB -0.136 40.691 40.800 0.045 0.000 0.932 356 D HN 0.138 nan 8.370 nan 0.000 0.509 357 Y N 1.040 121.353 120.300 0.022 0.000 2.334 357 Y HA 0.236 4.786 4.550 -0.000 0.000 0.328 357 Y C 0.636 176.583 175.900 0.078 0.000 1.130 357 Y CA -0.671 57.453 58.100 0.041 0.000 1.163 357 Y CB 1.107 39.587 38.460 0.033 0.000 1.207 357 Y HN -0.210 nan 8.280 nan 0.000 0.471 358 D N 4.296 124.813 120.400 0.196 0.000 2.453 358 D HA 0.299 4.939 4.640 -0.000 0.000 0.238 358 D C -0.995 175.576 176.300 0.452 0.000 1.088 358 D CA -0.197 53.977 54.000 0.289 0.000 0.854 358 D CB 1.669 42.586 40.800 0.194 0.000 1.076 358 D HN 0.239 nan 8.370 nan 0.000 0.533 359 I N 2.318 123.079 120.570 0.318 0.000 2.377 359 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 359 I C -0.456 175.610 176.117 -0.084 0.000 0.987 359 I CA -0.861 60.548 61.300 0.182 0.000 1.185 359 I CB 1.662 39.726 38.000 0.108 0.000 1.341 359 I HN 0.193 nan 8.210 nan 0.000 0.455 360 L N 8.817 129.772 121.223 -0.447 0.000 2.345 360 L HA 0.739 5.079 4.340 -0.000 0.000 0.274 360 L C -0.536 176.126 176.870 -0.347 0.000 0.999 360 L CA -0.222 54.202 54.840 -0.693 0.000 0.849 360 L CB 0.534 41.569 42.059 -1.707 0.000 1.220 360 L HN 0.679 nan 8.230 nan 0.000 0.422 361 M N 2.761 122.164 119.600 -0.328 0.000 2.846 361 M HA 1.069 5.549 4.480 -0.000 0.000 0.282 361 M C -0.253 175.356 176.300 -1.151 0.000 1.266 361 M CA -0.295 54.725 55.300 -0.466 0.000 0.766 361 M CB 1.964 34.311 32.600 -0.421 0.000 1.739 361 M HN 0.605 nan 8.290 nan 0.000 0.442 362 G N 0.119 108.105 108.800 -1.357 0.000 2.333 362 G HA2 0.332 4.292 3.960 -0.000 0.000 0.288 362 G HA3 0.332 4.292 3.960 -0.000 0.000 0.288 362 G C -2.311 172.271 174.900 -0.531 0.000 1.286 362 G CA -0.752 43.382 45.100 -1.609 0.000 0.865 362 G HN 0.876 nan 8.290 nan 0.000 0.506 363 N N -1.635 117.114 118.700 0.082 0.000 2.853 363 N HA 0.634 5.373 4.740 -0.000 0.000 0.258 363 N C -1.002 174.845 175.510 0.561 0.000 1.444 363 N CA -0.332 52.969 53.050 0.419 0.000 0.837 363 N CB 2.522 41.285 38.487 0.461 0.000 1.489 363 N HN 1.025 nan 8.380 nan 0.000 0.529 364 V N -0.982 119.158 119.914 0.377 0.000 2.483 364 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 364 V C 1.643 177.711 176.094 -0.044 0.000 1.035 364 V CA -0.717 61.707 62.300 0.206 0.000 0.896 364 V CB 1.949 33.946 31.823 0.291 0.000 0.986 364 V HN 0.767 nan 8.190 nan 0.000 0.447 365 R N 1.633 121.863 120.500 -0.450 0.000 2.208 365 R HA -0.181 4.159 4.340 -0.000 0.000 0.262 365 R C 0.060 176.372 176.300 0.019 0.000 1.166 365 R CA 2.368 58.245 56.100 -0.373 0.000 0.987 365 R CB 0.093 30.175 30.300 -0.363 0.000 0.887 365 R HN 0.965 nan 8.270 nan 0.000 0.459 366 D N -0.089 120.316 120.400 0.008 0.000 2.513 366 D HA 0.063 4.703 4.640 -0.000 0.000 0.295 366 D C 0.117 176.454 176.300 0.061 0.000 1.202 366 D CA -0.272 53.765 54.000 0.062 0.000 0.849 366 D CB 1.152 41.960 40.800 0.013 0.000 1.116 366 D HN 0.119 nan 8.370 nan 0.000 0.502 367 E N 1.329 121.600 120.200 0.117 0.000 2.012 367 E HA -0.165 4.185 4.350 -0.000 0.000 0.211 367 E C 1.998 178.630 176.600 0.053 0.000 1.029 367 E CA 1.328 57.765 56.400 0.062 0.000 0.867 367 E CB -0.262 29.502 29.700 0.106 0.000 0.790 367 E HN 0.457 nan 8.360 nan 0.000 0.482 368 G N 0.918 109.810 108.800 0.154 0.000 2.708 368 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.210 368 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.210 368 G C 1.513 176.529 174.900 0.193 0.000 1.141 368 G CA 1.396 46.648 45.100 0.253 0.000 0.788 368 G HN 0.418 nan 8.290 nan 0.000 0.531 369 T N -1.237 113.365 114.554 0.082 0.000 2.699 369 T HA -0.331 4.019 4.350 -0.000 0.000 0.268 369 T C 2.030 176.672 174.700 -0.096 0.000 1.036 369 T CA 1.614 63.712 62.100 -0.003 0.000 1.147 369 T CB -0.453 68.368 68.868 -0.079 0.000 0.862 369 T HN 0.341 nan 8.240 nan 0.000 0.446 370 Y N 1.619 121.728 120.300 -0.318 0.000 2.097 370 Y HA -0.029 4.521 4.550 -0.000 0.000 0.282 370 Y C 1.773 177.382 175.900 -0.484 0.000 1.152 370 Y CA 1.484 59.239 58.100 -0.575 0.000 1.136 370 Y CB -0.785 37.126 38.460 -0.914 0.000 0.975 370 Y HN 0.309 nan 8.280 nan 0.000 0.498 371 F N -0.762 119.181 119.950 -0.011 0.000 2.771 371 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 371 F C 1.778 177.506 175.800 -0.121 0.000 1.177 371 F CA 0.316 58.261 58.000 -0.091 0.000 1.450 371 F CB -0.687 38.215 39.000 -0.162 0.000 1.114 371 F HN 0.178 nan 8.300 nan 0.000 0.587 372 L N 0.838 122.075 121.223 0.023 0.000 2.051 372 L HA 0.027 4.367 4.340 -0.000 0.000 0.202 372 L C 2.073 178.898 176.870 -0.075 0.000 1.097 372 L CA 1.408 56.218 54.840 -0.049 0.000 0.762 372 L CB -1.102 40.889 42.059 -0.114 0.000 0.913 372 L HN 0.224 nan 8.230 nan 0.000 0.447 373 L N -2.472 118.708 121.223 -0.072 0.000 2.814 373 L HA -0.101 4.239 4.340 -0.000 0.000 0.248 373 L C 1.236 177.999 176.870 -0.177 0.000 1.169 373 L CA 1.320 56.172 54.840 0.020 0.000 0.872 373 L CB -0.760 41.421 42.059 0.203 0.000 1.029 373 L HN 0.307 nan 8.230 nan 0.000 0.452 374 Y N -1.056 119.047 120.300 -0.329 0.000 2.886 374 Y HA 0.162 4.711 4.550 -0.000 0.000 0.244 374 Y C 1.462 177.112 175.900 -0.417 0.000 1.017 374 Y CA 0.134 57.923 58.100 -0.517 0.000 1.389 374 Y CB 0.204 38.236 38.460 -0.713 0.000 1.477 374 Y HN 0.078 nan 8.280 nan 0.000 0.466 375 D N 1.050 121.437 120.400 -0.023 0.000 2.924 375 D HA -0.026 4.614 4.640 -0.000 0.000 0.239 375 D C -1.294 175.096 176.300 0.149 0.000 1.198 375 D CA 0.783 54.827 54.000 0.073 0.000 0.958 375 D CB -1.247 39.597 40.800 0.074 0.000 1.169 375 D HN 0.185 nan 8.370 nan 0.000 0.438 376 F N -1.554 118.479 119.950 0.137 0.000 2.160 376 F HA -0.247 4.280 4.527 -0.000 0.000 0.526 376 F C 0.508 176.542 175.800 0.390 0.000 1.296 376 F CA -0.465 57.676 58.000 0.236 0.000 1.684 376 F CB -0.881 38.287 39.000 0.280 0.000 2.719 376 F HN -0.091 nan 8.300 nan 0.000 0.720 377 I N 1.770 122.132 120.570 -0.347 0.000 3.716 377 I HA 0.102 4.272 4.170 -0.000 0.000 0.229 377 I C 1.703 178.181 176.117 0.602 0.000 1.022 377 I CA 0.631 62.102 61.300 0.285 0.000 1.503 377 I CB -0.500 37.520 38.000 0.033 0.000 1.378 377 I HN 0.693 nan 8.210 nan 0.000 0.449 378 D N -0.578 120.170 120.400 0.580 0.000 3.896 378 D HA -0.303 4.337 4.640 -0.000 0.000 0.222 378 D C 1.543 177.742 176.300 -0.169 0.000 1.591 378 D CA 2.843 56.916 54.000 0.122 0.000 2.232 378 D CB -1.021 39.534 40.800 -0.409 0.000 1.292 378 D HN 0.494 nan 8.370 nan 0.000 0.461 379 Y N -0.711 119.678 120.300 0.148 0.000 2.266 379 Y HA 0.258 4.807 4.550 -0.000 0.000 0.294 379 Y C 1.472 177.204 175.900 -0.281 0.000 1.127 379 Y CA 0.137 58.172 58.100 -0.109 0.000 1.140 379 Y CB -0.338 38.008 38.460 -0.190 0.000 1.071 379 Y HN -0.071 nan 8.280 nan 0.000 0.525 380 F N 0.896 120.984 119.950 0.229 0.000 2.380 380 F HA 0.288 4.815 4.527 -0.000 0.000 0.321 380 F C 0.218 176.105 175.800 0.144 0.000 1.103 380 F CA -1.012 57.046 58.000 0.097 0.000 1.067 380 F CB 0.544 39.586 39.000 0.070 0.000 1.265 380 F HN -0.090 nan 8.300 nan 0.000 0.517 381 D N 1.136 121.764 120.400 0.381 0.000 2.505 381 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 381 D C 0.623 177.257 176.300 0.558 0.000 1.082 381 D CA -0.399 53.819 54.000 0.362 0.000 0.839 381 D CB 1.844 42.774 40.800 0.216 0.000 1.317 381 D HN 0.629 nan 8.370 nan 0.000 0.497 382 K N 3.262 123.908 120.400 0.410 0.000 2.034 382 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 382 K C 0.259 176.913 176.600 0.090 0.000 1.051 382 K CA 2.115 58.502 56.287 0.166 0.000 0.931 382 K CB 0.212 32.481 32.500 -0.385 0.000 0.715 382 K HN 0.347 nan 8.250 nan 0.000 0.446 383 D N 0.577 121.020 120.400 0.071 0.000 2.429 383 D HA -0.006 4.634 4.640 -0.000 0.000 0.242 383 D C -0.119 176.342 176.300 0.269 0.000 1.076 383 D CA 0.678 54.713 54.000 0.058 0.000 0.955 383 D CB -0.185 40.586 40.800 -0.049 0.000 1.076 383 D HN 0.263 nan 8.370 nan 0.000 0.448 384 D N 1.143 121.680 120.400 0.227 0.000 2.423 384 D HA 0.268 4.908 4.640 -0.000 0.000 0.238 384 D C -0.020 176.443 176.300 0.273 0.000 1.142 384 D CA 0.092 54.216 54.000 0.206 0.000 0.884 384 D CB 0.714 41.577 40.800 0.104 0.000 1.199 384 D HN 0.086 nan 8.370 nan 0.000 0.438 385 A N 1.987 124.837 122.820 0.049 0.000 2.404 385 A HA 0.350 4.670 4.320 -0.000 0.000 0.273 385 A C 0.886 178.303 177.584 -0.278 0.000 1.144 385 A CA -0.504 51.286 52.037 -0.412 0.000 0.806 385 A CB -0.133 18.552 19.000 -0.524 0.000 1.080 385 A HN 0.567 nan 8.150 nan 0.000 0.509 386 T N -0.112 114.239 114.554 -0.338 0.000 2.868 386 T HA 0.567 4.917 4.350 -0.000 0.000 0.292 386 T C 0.067 174.740 174.700 -0.045 0.000 1.028 386 T CA 0.029 62.041 62.100 -0.146 0.000 1.059 386 T CB 1.310 70.020 68.868 -0.263 0.000 0.991 386 T HN 1.552 nan 8.240 nan 0.000 0.531 387 A N 3.165 126.001 122.820 0.027 0.000 2.763 387 A HA 0.553 4.873 4.320 -0.000 0.000 0.325 387 A C -0.234 177.327 177.584 -0.039 0.000 1.209 387 A CA -0.763 51.333 52.037 0.098 0.000 0.764 387 A CB -0.069 18.980 19.000 0.082 0.000 1.120 387 A HN 0.815 nan 8.150 nan 0.000 0.463 388 L N 2.911 124.101 121.223 -0.056 0.000 2.615 388 L HA 0.177 4.517 4.340 -0.000 0.000 0.284 388 L C -2.112 174.751 176.870 -0.011 0.000 1.237 388 L CA -0.225 54.582 54.840 -0.056 0.000 0.905 388 L CB 0.058 42.137 42.059 0.033 0.000 1.149 388 L HN 0.374 nan 8.230 nan 0.000 0.499 389 P HA 0.210 nan 4.420 nan 0.000 0.279 389 P C 0.053 177.373 177.300 0.034 0.000 1.276 389 P CA -0.636 62.463 63.100 -0.002 0.000 0.801 389 P CB 0.522 32.224 31.700 0.004 0.000 1.127 390 R N 1.121 121.626 120.500 0.009 0.000 2.307 390 R HA -0.078 4.262 4.340 -0.000 0.000 0.199 390 R C 0.971 177.331 176.300 0.101 0.000 1.000 390 R CA 1.245 57.357 56.100 0.019 0.000 1.023 390 R CB -1.005 29.280 30.300 -0.025 0.000 0.908 390 R HN 0.620 nan 8.270 nan 0.000 0.473 391 D N -0.437 120.010 120.400 0.079 0.000 2.144 391 D HA -0.105 4.535 4.640 -0.000 0.000 0.207 391 D C 1.409 177.767 176.300 0.097 0.000 0.970 391 D CA 0.778 54.828 54.000 0.082 0.000 0.853 391 D CB 0.027 40.861 40.800 0.056 0.000 1.007 391 D HN -0.159 nan 8.370 nan 0.000 0.469 392 K N 0.071 120.523 120.400 0.087 0.000 2.002 392 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 392 K C 2.201 178.827 176.600 0.045 0.000 1.048 392 K CA 1.244 57.566 56.287 0.059 0.000 0.930 392 K CB -1.347 31.175 32.500 0.036 0.000 0.714 392 K HN 0.367 nan 8.250 nan 0.000 0.438 393 Y N 2.027 122.316 120.300 -0.017 0.000 2.172 393 Y HA -0.294 4.256 4.550 -0.000 0.000 0.280 393 Y C 1.928 177.847 175.900 0.030 0.000 1.209 393 Y CA 1.762 59.869 58.100 0.013 0.000 1.171 393 Y CB -0.343 38.124 38.460 0.012 0.000 0.965 393 Y HN -0.020 nan 8.280 nan 0.000 0.520 394 L N -0.532 120.763 121.223 0.119 0.000 2.162 394 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 394 L C 2.358 179.221 176.870 -0.011 0.000 1.086 394 L CA 1.066 55.935 54.840 0.048 0.000 0.778 394 L CB -0.527 41.624 42.059 0.154 0.000 0.928 394 L HN 0.198 nan 8.230 nan 0.000 0.446 395 E N 0.638 120.837 120.200 -0.002 0.000 2.070 395 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 395 E C 2.143 178.702 176.600 -0.069 0.000 1.004 395 E CA 1.529 57.922 56.400 -0.010 0.000 0.805 395 E CB -0.099 29.606 29.700 0.008 0.000 0.744 395 E HN 0.454 nan 8.360 nan 0.000 0.451 396 I N 0.545 121.020 120.570 -0.159 0.000 2.087 396 I HA -0.265 3.905 4.170 -0.000 0.000 0.231 396 I C 2.439 178.491 176.117 -0.108 0.000 1.058 396 I CA 0.710 61.905 61.300 -0.176 0.000 1.328 396 I CB -0.298 37.581 38.000 -0.203 0.000 1.079 396 I HN 0.133 nan 8.210 nan 0.000 0.397 397 M N 0.389 119.894 119.600 -0.158 0.000 2.327 397 M HA -0.271 4.209 4.480 -0.000 0.000 0.258 397 M C 1.805 178.204 176.300 0.164 0.000 1.079 397 M CA 1.591 56.898 55.300 0.013 0.000 1.056 397 M CB -1.621 30.867 32.600 -0.188 0.000 1.387 397 M HN 0.402 nan 8.290 nan 0.000 0.423 398 N N 0.059 118.793 118.700 0.057 0.000 2.376 398 N HA -0.073 4.667 4.740 -0.000 0.000 0.177 398 N C 1.453 177.009 175.510 0.076 0.000 1.024 398 N CA 0.574 53.682 53.050 0.097 0.000 0.893 398 N CB 0.000 38.526 38.487 0.065 0.000 0.980 398 N HN 0.595 nan 8.380 nan 0.000 0.439 399 N N 1.210 119.923 118.700 0.021 0.000 2.083 399 N HA -0.060 4.679 4.740 -0.000 0.000 0.190 399 N C 1.963 177.447 175.510 -0.043 0.000 1.047 399 N CA 0.636 53.686 53.050 0.001 0.000 0.845 399 N CB 0.008 38.489 38.487 -0.010 0.000 1.025 399 N HN 0.023 nan 8.380 nan 0.000 0.428 400 I N 0.109 120.595 120.570 -0.141 0.000 2.143 400 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 400 I C 0.541 176.386 176.117 -0.453 0.000 1.068 400 I CA 1.526 62.601 61.300 -0.374 0.000 1.326 400 I CB -0.331 37.265 38.000 -0.673 0.000 1.028 400 I HN 0.193 nan 8.210 nan 0.000 0.412 401 F N 0.273 120.279 119.950 0.094 0.000 2.983 401 F HA 0.336 4.863 4.527 -0.000 0.000 0.307 401 F C 1.618 177.451 175.800 0.056 0.000 1.218 401 F CA -0.316 57.734 58.000 0.083 0.000 1.323 401 F CB -0.308 38.740 39.000 0.080 0.000 0.989 401 F HN -0.145 nan 8.300 nan 0.000 0.509 402 G N 0.071 108.956 108.800 0.141 0.000 2.679 402 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.212 402 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.212 402 G C 1.647 176.600 174.900 0.087 0.000 1.137 402 G CA 0.171 45.332 45.100 0.102 0.000 0.787 402 G HN 0.293 nan 8.290 nan 0.000 0.534 403 K N 0.116 120.578 120.400 0.103 0.000 2.305 403 K HA 0.263 4.583 4.320 -0.000 0.000 0.199 403 K C 1.279 177.926 176.600 0.079 0.000 1.047 403 K CA 0.348 56.683 56.287 0.080 0.000 0.976 403 K CB 0.341 32.889 32.500 0.081 0.000 0.765 403 K HN 0.282 nan 8.250 nan 0.000 0.474 404 A N 1.690 124.576 122.820 0.110 0.000 2.264 404 A HA 0.290 4.610 4.320 -0.000 0.000 0.304 404 A C 0.315 177.924 177.584 0.042 0.000 1.100 404 A CA -0.576 51.505 52.037 0.074 0.000 0.839 404 A CB 0.325 19.378 19.000 0.088 0.000 1.121 404 A HN 0.276 nan 8.150 nan 0.000 0.496 405 T N -1.012 113.545 114.554 0.005 0.000 2.856 405 T HA 0.013 4.363 4.350 -0.000 0.000 0.329 405 T C 0.921 175.617 174.700 -0.007 0.000 1.094 405 T CA 0.770 62.859 62.100 -0.018 0.000 1.112 405 T CB 0.365 69.203 68.868 -0.051 0.000 1.009 405 T HN 0.729 nan 8.240 nan 0.000 0.550 406 Q N 1.032 120.826 119.800 -0.010 0.000 2.170 406 Q HA -0.104 4.235 4.340 -0.000 0.000 0.203 406 Q C 2.454 178.453 176.000 -0.003 0.000 0.976 406 Q CA 1.286 57.092 55.803 0.005 0.000 0.858 406 Q CB -0.688 28.052 28.738 0.003 0.000 0.907 406 Q HN 0.938 nan 8.270 nan 0.000 0.433 407 A N 1.705 124.510 122.820 -0.025 0.000 1.883 407 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 407 A C 1.797 179.356 177.584 -0.042 0.000 1.186 407 A CA 1.914 53.932 52.037 -0.033 0.000 0.624 407 A CB -0.627 18.342 19.000 -0.052 0.000 0.822 407 A HN 0.714 nan 8.150 nan 0.000 0.444 408 E N -0.927 119.234 120.200 -0.064 0.000 2.299 408 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 408 E C 2.126 178.689 176.600 -0.062 0.000 0.998 408 E CA 0.431 56.772 56.400 -0.098 0.000 0.851 408 E CB -0.250 29.366 29.700 -0.140 0.000 0.795 408 E HN 0.568 nan 8.360 nan 0.000 0.492 409 R N 1.231 121.720 120.500 -0.018 0.000 2.073 409 R HA -0.127 4.212 4.340 -0.000 0.000 0.234 409 R C 2.176 178.498 176.300 0.037 0.000 1.134 409 R CA 1.973 58.082 56.100 0.016 0.000 0.952 409 R CB 0.000 30.337 30.300 0.062 0.000 0.850 409 R HN 0.267 nan 8.270 nan 0.000 0.433 410 E N -0.155 120.077 120.200 0.053 0.000 2.051 410 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 410 E C 2.014 178.696 176.600 0.137 0.000 0.991 410 E CA 1.134 57.589 56.400 0.093 0.000 0.799 410 E CB -0.164 29.575 29.700 0.065 0.000 0.748 410 E HN 0.375 nan 8.360 nan 0.000 0.449 411 A N 1.484 124.375 122.820 0.118 0.000 1.892 411 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 411 A C 2.236 179.961 177.584 0.235 0.000 1.188 411 A CA 1.461 53.633 52.037 0.226 0.000 0.631 411 A CB -0.764 18.356 19.000 0.200 0.000 0.822 411 A HN 0.153 nan 8.150 nan 0.000 0.447 412 I N -0.342 120.298 120.570 0.117 0.000 2.179 412 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 412 I C 2.350 178.474 176.117 0.012 0.000 1.088 412 I CA 1.323 62.590 61.300 -0.055 0.000 1.357 412 I CB -0.420 37.376 38.000 -0.340 0.000 1.051 412 I HN 0.318 nan 8.210 nan 0.000 0.409 413 I N 0.256 120.883 120.570 0.094 0.000 2.099 413 I HA -0.350 3.820 4.170 -0.000 0.000 0.239 413 I C 2.593 178.828 176.117 0.196 0.000 1.066 413 I CA 1.771 63.198 61.300 0.211 0.000 1.324 413 I CB -0.509 37.630 38.000 0.232 0.000 1.037 413 I HN 0.148 nan 8.210 nan 0.000 0.401 414 F N 1.802 121.779 119.950 0.046 0.000 2.120 414 F HA -0.333 4.194 4.527 -0.000 0.000 0.300 414 F C 2.669 178.398 175.800 -0.118 0.000 1.095 414 F CA 2.212 60.226 58.000 0.023 0.000 1.249 414 F CB -0.410 38.656 39.000 0.110 0.000 0.995 414 F HN 0.058 nan 8.300 nan 0.000 0.480 415 Q N -0.361 119.344 119.800 -0.157 0.000 2.096 415 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 415 Q C 1.108 176.649 176.000 -0.766 0.000 0.982 415 Q CA 1.902 57.356 55.803 -0.581 0.000 0.850 415 Q CB -0.775 27.264 28.738 -1.164 0.000 0.901 415 Q HN 0.580 nan 8.270 nan 0.000 0.422 416 Y N -0.011 120.112 120.300 -0.295 0.000 2.583 416 Y HA 0.306 4.856 4.550 -0.000 0.000 0.294 416 Y C -0.211 175.569 175.900 -0.199 0.000 1.170 416 Y CA -0.133 57.876 58.100 -0.152 0.000 1.265 416 Y CB 0.309 38.798 38.460 0.047 0.000 1.119 416 Y HN -0.142 nan 8.280 nan 0.000 0.522 417 T N 0.875 115.125 114.554 -0.506 0.000 2.817 417 T HA 0.217 4.567 4.350 -0.000 0.000 0.293 417 T C 0.215 174.262 174.700 -1.090 0.000 0.964 417 T CA -0.595 60.955 62.100 -0.917 0.000 1.085 417 T CB 0.594 68.700 68.868 -1.271 0.000 0.921 417 T HN 0.281 nan 8.240 nan 0.000 0.502 418 S N 3.102 118.320 115.700 -0.803 0.000 2.430 418 S HA 0.259 4.729 4.470 -0.000 0.000 0.289 418 S C 0.067 174.365 174.600 -0.503 0.000 1.143 418 S CA -0.929 56.967 58.200 -0.506 0.000 1.067 418 S CB 0.466 63.506 63.200 -0.267 0.000 0.964 418 S HN 0.773 nan 8.310 nan 0.000 0.485 419 W N 1.323 122.544 121.300 -0.132 0.000 3.123 419 W HA 0.459 5.119 4.660 -0.000 0.000 0.383 419 W C 0.543 177.018 176.519 -0.073 0.000 1.102 419 W CA -0.291 56.989 57.345 -0.110 0.000 1.865 419 W CB -0.066 29.322 29.460 -0.119 0.000 1.111 419 W HN 0.710 nan 8.180 nan 0.000 0.621 420 E N -0.835 119.421 120.200 0.093 0.000 2.401 420 E HA 0.471 4.821 4.350 -0.000 0.000 0.283 420 E C -0.104 176.515 176.600 0.032 0.000 1.053 420 E CA 0.618 57.055 56.400 0.062 0.000 0.842 420 E CB 0.940 30.684 29.700 0.074 0.000 1.222 420 E HN 0.114 nan 8.360 nan 0.000 0.429 421 G N 0.827 109.643 108.800 0.027 0.000 2.592 421 G HA2 0.251 4.211 3.960 -0.000 0.000 0.684 421 G HA3 0.251 4.211 3.960 -0.000 0.000 0.684 421 G C -0.238 174.669 174.900 0.011 0.000 1.291 421 G CA -0.029 45.090 45.100 0.031 0.000 0.891 421 G HN 1.156 nan 8.290 nan 0.000 0.544 422 N N 2.547 121.259 118.700 0.020 0.000 2.410 422 N HA 0.569 5.309 4.740 -0.000 0.000 0.281 422 N C -1.092 174.378 175.510 -0.066 0.000 1.241 422 N CA 0.033 53.052 53.050 -0.051 0.000 0.998 422 N CB -0.235 38.201 38.487 -0.085 0.000 1.376 422 N HN 0.771 nan 8.380 nan 0.000 0.490 423 P HA 0.200 nan 4.420 nan 0.000 0.267 423 P C 1.152 178.389 177.300 -0.105 0.000 1.200 423 P CA 1.714 64.765 63.100 -0.082 0.000 0.772 423 P CB 1.072 32.714 31.700 -0.095 0.000 0.855 424 G N 2.036 110.809 108.800 -0.045 0.000 2.611 424 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.208 424 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.208 424 G C 0.771 175.751 174.900 0.133 0.000 1.201 424 G CA -0.000 45.086 45.100 -0.024 0.000 0.739 424 G HN 0.424 nan 8.290 nan 0.000 0.528 425 Y N 1.300 121.588 120.300 -0.021 0.000 2.269 425 Y HA 0.177 4.727 4.550 -0.000 0.000 0.294 425 Y C 3.076 178.987 175.900 0.019 0.000 1.120 425 Y CA 1.673 59.766 58.100 -0.011 0.000 1.159 425 Y CB -0.451 38.010 38.460 0.001 0.000 1.024 425 Y HN 0.271 nan 8.280 nan 0.000 0.532 426 Q N -0.183 119.723 119.800 0.176 0.000 2.212 426 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 426 Q C 1.833 177.881 176.000 0.079 0.000 0.950 426 Q CA 0.674 56.539 55.803 0.104 0.000 0.863 426 Q CB -0.647 28.118 28.738 0.045 0.000 0.944 426 Q HN 0.522 nan 8.270 nan 0.000 0.465 427 N N 0.876 119.611 118.700 0.059 0.000 2.039 427 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 427 N C 1.790 177.443 175.510 0.238 0.000 1.044 427 N CA 1.566 54.657 53.050 0.067 0.000 0.847 427 N CB 0.031 38.535 38.487 0.029 0.000 1.030 427 N HN 0.311 nan 8.380 nan 0.000 0.422 428 Q N 0.725 120.676 119.800 0.251 0.000 2.030 428 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 428 Q C 1.717 177.845 176.000 0.213 0.000 0.986 428 Q CA 1.535 57.562 55.803 0.373 0.000 0.843 428 Q CB -0.194 28.810 28.738 0.445 0.000 0.904 428 Q HN 0.491 nan 8.270 nan 0.000 0.420 429 Q N -0.634 119.271 119.800 0.175 0.000 2.364 429 Q HA -0.146 4.194 4.340 -0.000 0.000 0.209 429 Q C 2.137 178.243 176.000 0.177 0.000 0.977 429 Q CA 0.886 56.791 55.803 0.171 0.000 0.885 429 Q CB 0.128 28.971 28.738 0.175 0.000 0.941 429 Q HN 0.493 nan 8.270 nan 0.000 0.464 430 Q N 0.085 120.010 119.800 0.208 0.000 2.123 430 Q HA -0.081 4.259 4.340 -0.000 0.000 0.199 430 Q C 1.982 178.106 176.000 0.207 0.000 0.966 430 Q CA 0.948 56.908 55.803 0.263 0.000 0.845 430 Q CB 0.046 28.966 28.738 0.304 0.000 0.907 430 Q HN 0.399 nan 8.270 nan 0.000 0.439 431 I N -0.327 120.353 120.570 0.183 0.000 2.439 431 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 431 I C 2.261 178.395 176.117 0.029 0.000 1.139 431 I CA 1.215 62.553 61.300 0.063 0.000 1.438 431 I CB -0.569 37.452 38.000 0.035 0.000 1.085 431 I HN 0.113 nan 8.210 nan 0.000 0.427 432 G N 0.365 109.195 108.800 0.050 0.000 2.394 432 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 432 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 432 G C 1.812 176.772 174.900 0.101 0.000 1.165 432 G CA 0.474 45.614 45.100 0.066 0.000 0.784 432 G HN 0.307 nan 8.290 nan 0.000 0.535 433 R N 0.584 121.155 120.500 0.119 0.000 2.237 433 R HA 0.137 4.477 4.340 -0.000 0.000 0.219 433 R C 2.452 178.800 176.300 0.080 0.000 1.080 433 R CA 1.260 57.463 56.100 0.171 0.000 0.995 433 R CB -0.180 30.275 30.300 0.258 0.000 0.875 433 R HN 0.306 nan 8.270 nan 0.000 0.462 434 A N -0.296 122.406 122.820 -0.196 0.000 1.997 434 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 434 A C 2.005 179.610 177.584 0.036 0.000 1.178 434 A CA 0.393 52.117 52.037 -0.523 0.000 0.698 434 A CB 0.103 18.540 19.000 -0.939 0.000 0.842 434 A HN 0.173 nan 8.150 nan 0.000 0.458 435 V N -0.022 119.973 119.914 0.134 0.000 2.283 435 V HA -0.107 4.013 4.120 -0.000 0.000 0.243 435 V C 2.846 179.157 176.094 0.362 0.000 1.039 435 V CA 1.913 64.387 62.300 0.289 0.000 1.016 435 V CB -1.363 30.575 31.823 0.192 0.000 0.650 435 V HN 0.543 nan 8.190 nan 0.000 0.449 436 G N -0.258 108.722 108.800 0.300 0.000 2.446 436 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 436 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 436 G C 1.231 176.338 174.900 0.344 0.000 1.168 436 G CA 1.247 46.576 45.100 0.382 0.000 0.771 436 G HN 0.486 nan 8.290 nan 0.000 0.551 437 D N -0.784 119.750 120.400 0.222 0.000 2.092 437 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 437 D C 2.039 178.198 176.300 -0.236 0.000 0.994 437 D CA 1.193 55.271 54.000 0.130 0.000 0.828 437 D CB -0.543 40.468 40.800 0.351 0.000 0.963 437 D HN 0.515 nan 8.370 nan 0.000 0.450 438 H N -1.288 117.392 119.070 -0.650 0.000 2.357 438 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 438 H C 1.726 176.595 175.328 -0.765 0.000 1.082 438 H CA 1.079 56.406 56.048 -1.203 0.000 1.342 438 H CB -0.053 28.899 29.762 -1.349 0.000 1.389 438 H HN 0.138 nan 8.280 nan 0.000 0.511 439 F N -0.992 118.653 119.950 -0.509 0.000 2.473 439 F HA 0.064 4.591 4.527 -0.000 0.000 0.294 439 F C 1.054 176.455 175.800 -0.665 0.000 1.103 439 F CA 0.285 57.850 58.000 -0.725 0.000 1.442 439 F CB 0.177 38.609 39.000 -0.946 0.000 1.097 439 F HN 0.096 nan 8.300 nan 0.000 0.547 440 F N -1.951 118.114 119.950 0.191 0.000 2.102 440 F HA 0.094 4.621 4.527 -0.000 0.000 0.245 440 F C 2.271 178.161 175.800 0.150 0.000 1.049 440 F CA 0.402 58.540 58.000 0.230 0.000 1.227 440 F CB -1.137 38.007 39.000 0.241 0.000 1.527 440 F HN -0.471 nan 8.300 nan 0.000 0.624 441 T N 0.528 115.315 114.554 0.389 0.000 2.620 441 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 441 T C 1.919 176.731 174.700 0.187 0.000 1.044 441 T CA 2.183 64.447 62.100 0.275 0.000 1.161 441 T CB -0.912 68.109 68.868 0.254 0.000 0.862 441 T HN 0.353 nan 8.240 nan 0.000 0.438 442 c N 0.864 119.538 118.600 0.124 0.000 2.475 442 c HA 0.075 4.645 4.570 -0.000 0.000 0.279 442 c C -0.081 174.066 174.090 0.094 0.000 1.322 442 c CA 0.143 56.543 56.329 0.118 0.000 1.734 442 c CB -1.357 41.229 42.510 0.126 0.000 2.005 442 c HN 0.465 nan 8.230 nan 0.000 0.495 443 P HA -0.117 nan 4.420 nan 0.000 0.214 443 P C 1.846 179.184 177.300 0.064 0.000 1.162 443 P CA 2.724 65.812 63.100 -0.020 0.000 0.879 443 P CB -0.389 31.218 31.700 -0.154 0.000 0.786 444 T N -3.400 111.211 114.554 0.096 0.000 2.897 444 T HA -0.187 4.162 4.350 -0.000 0.000 0.271 444 T C 1.772 176.600 174.700 0.213 0.000 1.084 444 T CA 1.703 63.883 62.100 0.134 0.000 1.123 444 T CB -1.181 67.755 68.868 0.114 0.000 0.865 444 T HN -0.011 nan 8.240 nan 0.000 0.496 445 N N 1.216 120.055 118.700 0.233 0.000 2.250 445 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 445 N C 1.918 177.586 175.510 0.263 0.000 1.017 445 N CA 1.289 54.492 53.050 0.256 0.000 0.866 445 N CB -0.258 38.324 38.487 0.158 0.000 0.985 445 N HN 0.646 nan 8.380 nan 0.000 0.429 446 E N -1.272 119.052 120.200 0.206 0.000 2.047 446 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 446 E C 1.434 178.153 176.600 0.199 0.000 0.987 446 E CA 0.800 57.309 56.400 0.183 0.000 0.799 446 E CB -0.178 29.604 29.700 0.136 0.000 0.752 446 E HN 0.427 nan 8.360 nan 0.000 0.449 447 Y N 0.803 121.134 120.300 0.051 0.000 2.145 447 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 447 Y C 2.123 178.066 175.900 0.071 0.000 1.145 447 Y CA 1.427 59.539 58.100 0.020 0.000 1.148 447 Y CB -0.709 37.731 38.460 -0.033 0.000 0.981 447 Y HN 0.131 nan 8.280 nan 0.000 0.507 448 A N 0.107 123.025 122.820 0.163 0.000 1.873 448 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 448 A C 2.147 179.906 177.584 0.291 0.000 1.193 448 A CA 2.274 54.395 52.037 0.141 0.000 0.629 448 A CB -0.903 18.127 19.000 0.051 0.000 0.826 448 A HN 0.646 nan 8.150 nan 0.000 0.447 449 Q N -0.814 119.230 119.800 0.406 0.000 2.002 449 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 449 Q C 2.507 178.548 176.000 0.068 0.000 0.988 449 Q CA 1.595 57.560 55.803 0.269 0.000 0.843 449 Q CB -0.496 28.358 28.738 0.193 0.000 0.908 449 Q HN 0.688 nan 8.270 nan 0.000 0.420 450 A N 0.883 123.696 122.820 -0.012 0.000 1.917 450 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 450 A C 2.073 179.550 177.584 -0.177 0.000 1.182 450 A CA 1.425 53.396 52.037 -0.110 0.000 0.633 450 A CB -0.652 18.249 19.000 -0.166 0.000 0.819 450 A HN 0.236 nan 8.150 nan 0.000 0.448 451 L N -0.496 120.574 121.223 -0.255 0.000 1.989 451 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 451 L C 3.038 179.858 176.870 -0.083 0.000 1.071 451 L CA 2.132 56.835 54.840 -0.229 0.000 0.749 451 L CB -1.143 40.787 42.059 -0.214 0.000 0.890 451 L HN 0.412 nan 8.230 nan 0.000 0.431 452 A N -1.155 121.667 122.820 0.003 0.000 1.877 452 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 452 A C 2.218 179.794 177.584 -0.014 0.000 1.186 452 A CA 1.686 53.740 52.037 0.028 0.000 0.620 452 A CB -0.582 18.464 19.000 0.077 0.000 0.822 452 A HN 0.503 nan 8.150 nan 0.000 0.443 453 E N -0.627 119.555 120.200 -0.029 0.000 2.097 453 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 453 E C 1.534 178.106 176.600 -0.046 0.000 1.000 453 E CA 0.891 57.267 56.400 -0.039 0.000 0.804 453 E CB -0.138 29.537 29.700 -0.042 0.000 0.740 453 E HN 0.285 nan 8.360 nan 0.000 0.454 454 R N -0.454 120.005 120.500 -0.068 0.000 2.328 454 R HA 0.013 4.352 4.340 -0.000 0.000 0.206 454 R C 1.153 177.418 176.300 -0.058 0.000 0.990 454 R CA 0.739 56.793 56.100 -0.077 0.000 1.085 454 R CB 0.204 30.431 30.300 -0.122 0.000 0.998 454 R HN 0.397 nan 8.270 nan 0.000 0.484 455 G N -0.240 108.541 108.800 -0.032 0.000 2.217 455 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 455 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 455 G C 0.382 175.297 174.900 0.023 0.000 0.990 455 G CA 0.092 45.189 45.100 -0.004 0.000 0.627 455 G HN 0.579 nan 8.290 nan 0.000 0.522 456 A N 0.454 123.283 122.820 0.016 0.000 2.511 456 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 456 A C 0.998 178.634 177.584 0.088 0.000 1.069 456 A CA 1.281 53.362 52.037 0.073 0.000 0.763 456 A CB 0.444 19.473 19.000 0.049 0.000 1.001 456 A HN 1.803 nan 8.150 nan 0.000 0.498 457 S N 2.311 118.087 115.700 0.126 0.000 2.422 457 S HA 0.409 4.879 4.470 -0.000 0.000 0.283 457 S C -0.405 174.277 174.600 0.137 0.000 1.163 457 S CA -0.478 57.795 58.200 0.122 0.000 1.054 457 S CB -0.384 62.915 63.200 0.165 0.000 0.967 457 S HN 0.684 nan 8.310 nan 0.000 0.499 458 V N 6.186 126.137 119.914 0.062 0.000 2.417 458 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 458 V C -0.827 175.214 176.094 -0.089 0.000 1.024 458 V CA -0.757 61.581 62.300 0.063 0.000 0.861 458 V CB 1.485 33.400 31.823 0.152 0.000 0.985 458 V HN 0.922 nan 8.190 nan 0.000 0.436 459 H N 3.643 122.707 119.070 -0.010 0.000 2.539 459 H HA 0.497 5.053 4.556 -0.000 0.000 0.332 459 H C -1.171 174.195 175.328 0.062 0.000 1.031 459 H CA -0.270 55.762 56.048 -0.027 0.000 1.206 459 H CB 1.150 30.621 29.762 -0.485 0.000 1.446 459 H HN 0.615 nan 8.280 nan 0.000 0.496 460 Y N 3.844 124.314 120.300 0.284 0.000 2.361 460 Y HA 0.319 4.869 4.550 -0.000 0.000 0.332 460 Y C -1.027 175.199 175.900 0.543 0.000 1.101 460 Y CA -0.963 57.213 58.100 0.125 0.000 1.137 460 Y CB 0.674 38.998 38.460 -0.226 0.000 1.207 460 Y HN 0.611 nan 8.280 nan 0.000 0.463 461 Y N 3.444 124.120 120.300 0.627 0.000 2.524 461 Y HA 0.619 5.169 4.550 -0.000 0.000 0.347 461 Y C -2.424 173.872 175.900 0.660 0.000 1.005 461 Y CA -2.274 56.214 58.100 0.647 0.000 1.025 461 Y CB 0.831 39.692 38.460 0.668 0.000 1.275 461 Y HN 0.520 nan 8.280 nan 0.000 0.460 462 Y N 4.729 125.434 120.300 0.675 0.000 2.326 462 Y HA 0.503 5.053 4.550 -0.000 0.000 0.329 462 Y C -1.929 174.327 175.900 0.593 0.000 0.973 462 Y CA -2.642 55.757 58.100 0.499 0.000 1.162 462 Y CB 1.202 39.745 38.460 0.138 0.000 1.147 462 Y HN 0.723 nan 8.280 nan 0.000 0.456 463 F N 6.072 126.169 119.950 0.244 0.000 2.335 463 F HA 0.334 4.861 4.527 -0.000 0.000 0.365 463 F C 0.608 176.272 175.800 -0.227 0.000 1.122 463 F CA -0.308 57.728 58.000 0.061 0.000 1.151 463 F CB 0.804 39.846 39.000 0.070 0.000 1.282 463 F HN 0.510 nan 8.300 nan 0.000 0.513 464 T N 3.430 117.627 114.554 -0.596 0.000 3.266 464 T HA 0.148 4.498 4.350 -0.000 0.000 0.278 464 T C -0.381 173.967 174.700 -0.586 0.000 1.010 464 T CA -0.225 61.519 62.100 -0.593 0.000 0.909 464 T CB -0.775 67.882 68.868 -0.351 0.000 1.122 464 T HN 0.599 nan 8.240 nan 0.000 0.536 465 H N 1.552 120.001 119.070 -1.035 0.000 2.476 465 H HA 0.470 5.026 4.556 -0.000 0.000 0.328 465 H C -0.465 174.469 175.328 -0.656 0.000 1.073 465 H CA -0.645 54.984 56.048 -0.698 0.000 1.229 465 H CB 1.351 30.782 29.762 -0.552 0.000 1.432 465 H HN 0.289 nan 8.280 nan 0.000 0.477 466 R N 3.442 123.661 120.500 -0.469 0.000 2.234 466 R HA 0.088 4.428 4.340 -0.000 0.000 0.324 466 R C -0.092 176.240 176.300 0.053 0.000 1.054 466 R CA -0.420 55.565 56.100 -0.192 0.000 0.912 466 R CB 0.333 30.515 30.300 -0.197 0.000 1.030 466 R HN 0.786 nan 8.270 nan 0.000 0.455 467 T N 1.604 116.244 114.554 0.144 0.000 2.822 467 T HA -0.089 4.261 4.350 -0.000 0.000 0.288 467 T C 1.573 176.307 174.700 0.058 0.000 0.991 467 T CA 0.214 62.413 62.100 0.165 0.000 1.176 467 T CB 0.955 69.903 68.868 0.134 0.000 0.951 467 T HN 0.731 nan 8.240 nan 0.000 0.526 468 S N 2.586 118.313 115.700 0.046 0.000 2.392 468 S HA -0.149 4.321 4.470 -0.000 0.000 0.232 468 S C 1.195 175.804 174.600 0.016 0.000 1.041 468 S CA 1.234 59.455 58.200 0.035 0.000 1.026 468 S CB -0.899 62.332 63.200 0.051 0.000 0.845 468 S HN 0.811 nan 8.310 nan 0.000 0.465 469 T N 2.107 116.653 114.554 -0.013 0.000 3.379 469 T HA 0.434 4.784 4.350 -0.000 0.000 0.274 469 T C 0.890 175.618 174.700 0.047 0.000 1.555 469 T CA -0.174 61.944 62.100 0.029 0.000 1.297 469 T CB 0.388 69.297 68.868 0.070 0.000 1.132 469 T HN 0.344 nan 8.240 nan 0.000 0.722 470 S N 1.967 117.708 115.700 0.069 0.000 2.356 470 S HA -0.004 4.466 4.470 -0.000 0.000 0.223 470 S C 1.367 176.066 174.600 0.164 0.000 1.032 470 S CA 0.510 58.796 58.200 0.143 0.000 1.005 470 S CB -0.330 62.950 63.200 0.134 0.000 0.867 470 S HN 0.749 nan 8.310 nan 0.000 0.449 471 L N -1.350 119.930 121.223 0.096 0.000 3.843 471 L HA -0.232 4.108 4.340 -0.000 0.000 0.411 471 L C -0.435 176.482 176.870 0.079 0.000 1.205 471 L CA 0.262 55.138 54.840 0.060 0.000 0.945 471 L CB -1.618 40.457 42.059 0.028 0.000 1.929 471 L HN 0.446 nan 8.230 nan 0.000 0.934 472 W N -1.014 120.331 121.300 0.075 0.000 2.992 472 W HA 0.602 5.262 4.660 -0.000 0.000 0.342 472 W C 0.964 177.378 176.519 -0.174 0.000 1.176 472 W CA -0.446 56.910 57.345 0.020 0.000 1.118 472 W CB 1.304 30.757 29.460 -0.011 0.000 1.457 472 W HN -0.050 nan 8.180 nan 0.000 0.573 473 G N 1.070 109.906 108.800 0.060 0.000 2.353 473 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.239 473 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.239 473 G C 0.353 175.034 174.900 -0.365 0.000 1.295 473 G CA -0.144 44.766 45.100 -0.316 0.000 0.884 473 G HN 0.713 nan 8.290 nan 0.000 0.537 474 E N 1.439 121.557 120.200 -0.136 0.000 2.153 474 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 474 E C 1.962 178.555 176.600 -0.013 0.000 0.988 474 E CA 1.500 57.882 56.400 -0.029 0.000 0.811 474 E CB 0.016 29.752 29.700 0.061 0.000 0.746 474 E HN 0.914 nan 8.360 nan 0.000 0.466 475 W N 0.236 121.520 121.300 -0.027 0.000 2.518 475 W HA 0.028 4.688 4.660 -0.000 0.000 0.273 475 W C 1.270 177.767 176.519 -0.036 0.000 1.247 475 W CA 0.314 57.638 57.345 -0.035 0.000 1.288 475 W CB -0.731 28.713 29.460 -0.026 0.000 1.107 475 W HN -0.028 nan 8.180 nan 0.000 0.586 476 M N 1.733 121.086 119.600 -0.411 0.000 2.704 476 M HA 0.220 4.700 4.480 -0.000 0.000 0.215 476 M C 1.905 178.072 176.300 -0.221 0.000 1.156 476 M CA 0.857 55.930 55.300 -0.377 0.000 1.002 476 M CB -1.196 30.972 32.600 -0.721 0.000 1.781 476 M HN 0.041 nan 8.290 nan 0.000 0.486 477 G N 1.585 110.305 108.800 -0.133 0.000 2.896 477 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.412 477 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.412 477 G C 0.281 175.086 174.900 -0.159 0.000 0.986 477 G CA 0.879 45.904 45.100 -0.124 0.000 0.812 477 G HN 0.416 nan 8.290 nan 0.000 0.907 478 V N 2.612 122.417 119.914 -0.182 0.000 2.288 478 V HA 0.545 4.665 4.120 -0.000 0.000 0.266 478 V C 0.798 176.827 176.094 -0.108 0.000 1.048 478 V CA 0.008 62.185 62.300 -0.204 0.000 0.842 478 V CB 0.201 31.768 31.823 -0.426 0.000 1.064 478 V HN 0.742 nan 8.190 nan 0.000 0.472 479 L N 1.179 122.344 121.223 -0.096 0.000 2.440 479 L HA 0.746 5.086 4.340 -0.000 0.000 0.262 479 L C 0.687 177.542 176.870 -0.024 0.000 1.072 479 L CA -0.875 53.907 54.840 -0.096 0.000 0.798 479 L CB 0.522 42.428 42.059 -0.255 0.000 1.307 479 L HN 0.541 nan 8.230 nan 0.000 0.475 480 H N -0.283 118.665 119.070 -0.202 0.000 3.152 480 H HA 0.129 4.685 4.556 -0.000 0.000 0.328 480 H C 1.281 176.523 175.328 -0.144 0.000 1.032 480 H CA 2.011 57.906 56.048 -0.255 0.000 1.337 480 H CB 0.489 29.912 29.762 -0.566 0.000 1.256 480 H HN 0.937 nan 8.280 nan 0.000 0.599 481 G N 3.720 112.320 108.800 -0.332 0.000 2.343 481 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.264 481 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.264 481 G C 1.257 176.284 174.900 0.212 0.000 0.989 481 G CA 0.943 46.099 45.100 0.092 0.000 0.627 481 G HN 0.728 nan 8.290 nan 0.000 0.549 482 D N 1.078 121.598 120.400 0.201 0.000 2.384 482 D HA 0.106 4.746 4.640 -0.000 0.000 0.222 482 D C 2.330 178.660 176.300 0.051 0.000 0.976 482 D CA 1.396 55.576 54.000 0.300 0.000 0.915 482 D CB -0.064 40.983 40.800 0.412 0.000 0.896 482 D HN 0.859 nan 8.370 nan 0.000 0.523 483 E N -0.021 120.005 120.200 -0.290 0.000 2.042 483 E HA -0.033 4.316 4.350 -0.000 0.000 0.189 483 E C 2.106 178.457 176.600 -0.415 0.000 0.974 483 E CA 0.107 55.952 56.400 -0.924 0.000 0.806 483 E CB -0.338 29.097 29.700 -0.441 0.000 0.769 483 E HN 0.165 nan 8.360 nan 0.000 0.451 484 I N 1.980 122.549 120.570 -0.001 0.000 2.132 484 I HA -0.417 3.753 4.170 -0.000 0.000 0.238 484 I C 2.628 178.813 176.117 0.114 0.000 1.012 484 I CA 2.019 63.412 61.300 0.156 0.000 1.288 484 I CB -0.572 37.613 38.000 0.307 0.000 0.997 484 I HN 0.196 nan 8.210 nan 0.000 0.402 485 E N -0.169 120.076 120.200 0.074 0.000 2.082 485 E HA -0.302 4.048 4.350 -0.000 0.000 0.215 485 E C 2.187 178.714 176.600 -0.121 0.000 1.048 485 E CA 2.522 58.906 56.400 -0.027 0.000 0.869 485 E CB -0.339 29.311 29.700 -0.083 0.000 0.773 485 E HN 0.500 nan 8.360 nan 0.000 0.466 486 Y N -1.136 119.008 120.300 -0.260 0.000 2.274 486 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 486 Y C 2.049 177.725 175.900 -0.374 0.000 1.145 486 Y CA 0.789 58.667 58.100 -0.370 0.000 1.203 486 Y CB -0.286 37.800 38.460 -0.624 0.000 0.984 486 Y HN 0.094 nan 8.280 nan 0.000 0.533 487 F N -2.487 117.351 119.950 -0.186 0.000 2.558 487 F HA -0.012 4.514 4.527 -0.000 0.000 0.298 487 F C 1.270 176.896 175.800 -0.289 0.000 1.119 487 F CA 0.260 58.087 58.000 -0.288 0.000 1.451 487 F CB -0.737 38.060 39.000 -0.338 0.000 1.091 487 F HN -0.051 nan 8.300 nan 0.000 0.563 488 F N 0.088 120.028 119.950 -0.017 0.000 2.664 488 F HA 0.332 4.859 4.527 -0.000 0.000 0.301 488 F C 1.872 177.579 175.800 -0.155 0.000 1.126 488 F CA -0.170 57.755 58.000 -0.126 0.000 1.373 488 F CB -0.687 38.168 39.000 -0.241 0.000 1.042 488 F HN 0.074 nan 8.300 nan 0.000 0.535 489 G N 0.297 109.104 108.800 0.011 0.000 2.243 489 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.276 489 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.276 489 G C 1.404 176.239 174.900 -0.109 0.000 0.997 489 G CA 0.931 45.999 45.100 -0.053 0.000 0.693 489 G HN 0.325 nan 8.290 nan 0.000 0.529 490 Q N 0.076 119.800 119.800 -0.128 0.000 2.268 490 Q HA -0.068 4.272 4.340 -0.000 0.000 0.210 490 Q C 0.131 175.937 176.000 -0.323 0.000 0.988 490 Q CA 2.347 58.022 55.803 -0.213 0.000 0.883 490 Q CB -0.728 27.883 28.738 -0.212 0.000 0.911 490 Q HN 0.553 nan 8.270 nan 0.000 0.430 491 P HA -0.104 nan 4.420 nan 0.000 0.228 491 P C 0.276 177.422 177.300 -0.257 0.000 1.151 491 P CA 0.931 63.853 63.100 -0.296 0.000 0.770 491 P CB 0.057 31.773 31.700 0.027 0.000 0.786 492 L N -1.827 119.282 121.223 -0.190 0.000 2.610 492 L HA 0.030 4.370 4.340 -0.000 0.000 0.232 492 L C 0.915 177.687 176.870 -0.163 0.000 1.149 492 L CA 0.159 54.916 54.840 -0.137 0.000 0.872 492 L CB -0.613 41.390 42.059 -0.093 0.000 0.992 492 L HN -0.044 nan 8.230 nan 0.000 0.447 493 N N 0.763 119.319 118.700 -0.240 0.000 2.521 493 N HA 0.026 4.766 4.740 -0.000 0.000 0.236 493 N C 0.573 175.934 175.510 -0.249 0.000 1.067 493 N CA -0.080 52.835 53.050 -0.226 0.000 0.939 493 N CB 0.505 38.840 38.487 -0.252 0.000 1.201 493 N HN 0.059 nan 8.380 nan 0.000 0.511 494 N N 0.779 119.376 118.700 -0.170 0.000 2.348 494 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 494 N C 0.789 176.213 175.510 -0.143 0.000 1.019 494 N CA 0.850 53.813 53.050 -0.145 0.000 0.880 494 N CB 0.088 38.520 38.487 -0.092 0.000 0.965 494 N HN 0.361 nan 8.380 nan 0.000 0.437 495 S N -0.044 115.569 115.700 -0.145 0.000 2.660 495 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 495 S C 0.204 174.711 174.600 -0.156 0.000 0.966 495 S CA 0.379 58.504 58.200 -0.125 0.000 0.940 495 S CB -0.223 62.910 63.200 -0.112 0.000 0.773 495 S HN 0.243 nan 8.310 nan 0.000 0.535 496 L N 2.441 123.527 121.223 -0.229 0.000 2.372 496 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 496 L C -0.016 176.665 176.870 -0.314 0.000 0.989 496 L CA -0.521 54.128 54.840 -0.317 0.000 0.841 496 L CB 1.509 43.238 42.059 -0.550 0.000 1.225 496 L HN 0.125 nan 8.230 nan 0.000 0.414 497 Q N 3.779 123.517 119.800 -0.103 0.000 2.323 497 Q HA 0.251 4.591 4.340 -0.000 0.000 0.257 497 Q C -1.848 174.325 176.000 0.288 0.000 1.022 497 Q CA 0.051 55.869 55.803 0.026 0.000 0.919 497 Q CB 0.809 29.571 28.738 0.039 0.000 1.220 497 Q HN 0.402 nan 8.270 nan 0.000 0.427 498 Y N 1.904 122.184 120.300 -0.033 0.000 2.462 498 Y HA 0.395 4.945 4.550 -0.000 0.000 0.346 498 Y C 0.335 176.237 175.900 0.003 0.000 0.976 498 Y CA -1.632 56.457 58.100 -0.018 0.000 1.044 498 Y CB 1.554 39.977 38.460 -0.062 0.000 1.230 498 Y HN 0.655 nan 8.280 nan 0.000 0.455 499 R N 4.726 125.324 120.500 0.164 0.000 2.640 499 R HA 0.042 4.382 4.340 -0.000 0.000 0.270 499 R C -1.469 174.891 176.300 0.101 0.000 1.024 499 R CA -0.843 55.322 56.100 0.109 0.000 1.085 499 R CB 0.441 30.799 30.300 0.097 0.000 0.963 499 R HN 0.348 nan 8.270 nan 0.000 0.426 500 P HA -0.206 nan 4.420 nan 0.000 0.219 500 P C 1.119 178.455 177.300 0.059 0.000 1.145 500 P CA 1.491 64.625 63.100 0.057 0.000 0.813 500 P CB -0.087 31.640 31.700 0.044 0.000 0.771 501 V N -1.961 117.993 119.914 0.066 0.000 2.446 501 V HA -0.078 4.041 4.120 -0.000 0.000 0.244 501 V C 2.231 178.352 176.094 0.045 0.000 1.039 501 V CA 1.155 63.492 62.300 0.061 0.000 1.045 501 V CB -1.635 30.234 31.823 0.076 0.000 0.681 501 V HN 0.000 nan 8.190 nan 0.000 0.459 502 E N 0.619 120.846 120.200 0.046 0.000 2.204 502 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 502 E C 2.362 179.023 176.600 0.101 0.000 0.990 502 E CA 1.270 57.693 56.400 0.038 0.000 0.821 502 E CB -0.202 29.534 29.700 0.059 0.000 0.750 502 E HN 0.601 nan 8.360 nan 0.000 0.477 503 R N 0.442 120.996 120.500 0.091 0.000 2.153 503 R HA -0.081 4.259 4.340 -0.000 0.000 0.218 503 R C 1.952 178.276 176.300 0.039 0.000 1.072 503 R CA 0.750 56.884 56.100 0.056 0.000 0.990 503 R CB 0.059 30.379 30.300 0.034 0.000 0.889 503 R HN -0.014 nan 8.270 nan 0.000 0.452 504 E N 0.580 120.808 120.200 0.047 0.000 2.285 504 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 504 E C 1.460 178.094 176.600 0.057 0.000 0.997 504 E CA 0.433 56.864 56.400 0.051 0.000 0.845 504 E CB 0.117 29.852 29.700 0.059 0.000 0.782 504 E HN 0.082 nan 8.360 nan 0.000 0.491 505 L N -0.835 120.418 121.223 0.051 0.000 2.102 505 L HA 0.248 4.588 4.340 -0.000 0.000 0.202 505 L C 2.021 178.900 176.870 0.014 0.000 1.076 505 L CA 1.971 56.835 54.840 0.040 0.000 0.761 505 L CB -0.984 41.079 42.059 0.006 0.000 0.921 505 L HN 0.165 nan 8.230 nan 0.000 0.444 506 G N -0.363 108.468 108.800 0.052 0.000 2.491 506 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.218 506 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.218 506 G C 1.701 176.586 174.900 -0.025 0.000 1.180 506 G CA 0.980 46.075 45.100 -0.010 0.000 0.774 506 G HN 0.406 nan 8.290 nan 0.000 0.562 507 K N 0.246 120.644 120.400 -0.003 0.000 2.074 507 K HA -0.142 4.177 4.320 -0.000 0.000 0.209 507 K C 2.714 179.327 176.600 0.022 0.000 1.048 507 K CA 1.243 57.535 56.287 0.007 0.000 0.926 507 K CB -0.177 32.335 32.500 0.021 0.000 0.713 507 K HN 0.226 nan 8.250 nan 0.000 0.444 508 R N -0.145 120.376 120.500 0.034 0.000 2.057 508 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 508 R C 2.516 178.826 176.300 0.016 0.000 1.136 508 R CA 1.687 57.832 56.100 0.075 0.000 0.952 508 R CB -0.301 30.086 30.300 0.146 0.000 0.848 508 R HN 0.265 nan 8.270 nan 0.000 0.430 509 M N 0.583 120.067 119.600 -0.193 0.000 2.159 509 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 509 M C 2.300 178.610 176.300 0.016 0.000 1.063 509 M CA 1.232 56.309 55.300 -0.372 0.000 1.110 509 M CB -0.162 32.002 32.600 -0.727 0.000 1.374 509 M HN 0.166 nan 8.290 nan 0.000 0.411 510 L N -0.865 120.356 121.223 -0.003 0.000 2.093 510 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 510 L C 2.334 179.207 176.870 0.005 0.000 1.085 510 L CA 1.781 56.627 54.840 0.010 0.000 0.755 510 L CB -0.771 41.278 42.059 -0.016 0.000 0.904 510 L HN 0.259 nan 8.230 nan 0.000 0.435 511 S N -0.631 115.085 115.700 0.026 0.000 2.481 511 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 511 S C 2.000 176.639 174.600 0.066 0.000 0.996 511 S CA 0.957 59.179 58.200 0.037 0.000 0.942 511 S CB 0.027 63.261 63.200 0.057 0.000 0.768 511 S HN 0.577 nan 8.310 nan 0.000 0.520 512 A N 0.811 123.701 122.820 0.118 0.000 1.843 512 A HA 0.080 4.400 4.320 -0.000 0.000 0.213 512 A C 2.242 179.856 177.584 0.050 0.000 1.202 512 A CA 1.443 53.586 52.037 0.178 0.000 0.607 512 A CB -1.095 18.188 19.000 0.471 0.000 0.847 512 A HN 0.402 nan 8.150 nan 0.000 0.445 513 V N 0.898 120.800 119.914 -0.020 0.000 2.380 513 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 513 V C 2.432 178.472 176.094 -0.089 0.000 1.063 513 V CA 1.798 64.030 62.300 -0.114 0.000 1.055 513 V CB -0.763 30.922 31.823 -0.230 0.000 0.657 513 V HN 0.486 nan 8.190 nan 0.000 0.455 514 I N -0.354 120.161 120.570 -0.091 0.000 2.133 514 I HA -0.107 4.063 4.170 -0.000 0.000 0.238 514 I C 2.605 178.657 176.117 -0.107 0.000 1.074 514 I CA 1.342 62.563 61.300 -0.130 0.000 1.342 514 I CB -1.397 36.541 38.000 -0.105 0.000 1.053 514 I HN 0.302 nan 8.210 nan 0.000 0.404 515 E N 0.417 120.593 120.200 -0.040 0.000 2.219 515 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 515 E C 2.015 178.597 176.600 -0.030 0.000 0.998 515 E CA 1.001 57.387 56.400 -0.023 0.000 0.818 515 E CB -0.535 29.171 29.700 0.010 0.000 0.741 515 E HN 0.455 nan 8.360 nan 0.000 0.477 516 F N 1.086 120.935 119.950 -0.168 0.000 2.113 516 F HA -0.056 4.471 4.527 0.000 0.000 0.297 516 F C 2.139 177.848 175.800 -0.151 0.000 1.103 516 F CA 1.439 59.322 58.000 -0.194 0.000 1.248 516 F CB -0.496 38.360 39.000 -0.240 0.000 0.999 516 F HN -0.028 nan 8.300 nan 0.000 0.475 517 A N -0.027 122.545 122.820 -0.413 0.000 2.067 517 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 517 A C 2.222 179.570 177.584 -0.393 0.000 1.158 517 A CA 1.395 53.121 52.037 -0.518 0.000 0.661 517 A CB -0.562 18.179 19.000 -0.432 0.000 0.801 517 A HN 0.470 nan 8.150 nan 0.000 0.452 518 K N -1.208 119.046 120.400 -0.244 0.000 2.128 518 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 518 K C 1.776 178.545 176.600 0.282 0.000 1.050 518 K CA 1.576 57.870 56.287 0.012 0.000 0.966 518 K CB 0.050 32.548 32.500 -0.003 0.000 0.759 518 K HN 0.626 nan 8.250 nan 0.000 0.454 519 T N -4.129 110.452 114.554 0.046 0.000 3.004 519 T HA 0.211 4.561 4.350 -0.000 0.000 0.266 519 T C 1.105 175.768 174.700 -0.061 0.000 0.986 519 T CA 0.453 62.568 62.100 0.025 0.000 0.902 519 T CB 1.020 69.902 68.868 0.022 0.000 1.118 519 T HN 0.267 nan 8.240 nan 0.000 0.522 520 G N 1.585 110.255 108.800 -0.216 0.000 2.143 520 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 520 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 520 G C -0.170 174.768 174.900 0.062 0.000 0.991 520 G CA 0.076 45.015 45.100 -0.268 0.000 0.689 520 G HN 0.744 nan 8.290 nan 0.000 0.522 521 N N -0.168 118.544 118.700 0.020 0.000 2.533 521 N HA 0.363 5.103 4.740 -0.000 0.000 0.289 521 N C -1.671 173.719 175.510 -0.199 0.000 1.103 521 N CA -1.182 51.774 53.050 -0.158 0.000 0.877 521 N CB 2.435 40.848 38.487 -0.124 0.000 1.419 521 N HN -0.005 nan 8.380 nan 0.000 0.517 522 P HA -0.018 nan 4.420 nan 0.000 0.230 522 P C 0.907 178.044 177.300 -0.271 0.000 1.158 522 P CA 0.401 63.236 63.100 -0.442 0.000 0.769 522 P CB 0.592 31.679 31.700 -1.022 0.000 0.807 523 A N 1.235 123.877 122.820 -0.296 0.000 2.404 523 A HA -0.072 4.248 4.320 -0.000 0.000 0.189 523 A C 0.758 178.420 177.584 0.129 0.000 1.145 523 A CA 2.222 54.305 52.037 0.077 0.000 0.839 523 A CB -1.186 17.861 19.000 0.077 0.000 0.848 523 A HN 0.440 nan 8.150 nan 0.000 0.545 524 Q N -1.833 118.024 119.800 0.094 0.000 3.569 524 Q HA -0.033 4.306 4.340 -0.000 0.000 0.120 524 Q C -2.027 174.036 176.000 0.105 0.000 0.967 524 Q CA 0.204 56.063 55.803 0.093 0.000 1.260 524 Q CB -1.654 27.149 28.738 0.108 0.000 1.530 524 Q HN 0.595 nan 8.270 nan 0.000 0.591 525 D N 1.963 122.413 120.400 0.083 0.000 2.518 525 D HA 0.350 4.990 4.640 -0.000 0.000 0.270 525 D C 1.456 177.808 176.300 0.087 0.000 1.338 525 D CA 1.789 55.836 54.000 0.078 0.000 0.983 525 D CB -0.073 40.764 40.800 0.062 0.000 1.126 525 D HN 1.203 nan 8.370 nan 0.000 0.543 526 G N 1.930 110.788 108.800 0.096 0.000 2.316 526 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.203 526 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.203 526 G C 0.110 175.082 174.900 0.120 0.000 0.999 526 G CA -0.176 44.982 45.100 0.097 0.000 0.649 526 G HN 0.625 nan 8.290 nan 0.000 0.489 527 E N 1.035 121.326 120.200 0.152 0.000 2.171 527 E HA 0.486 4.836 4.350 -0.000 0.000 0.271 527 E C -0.750 175.995 176.600 0.241 0.000 0.916 527 E CA -0.662 55.857 56.400 0.200 0.000 0.774 527 E CB 0.785 30.626 29.700 0.234 0.000 1.128 527 E HN 0.120 nan 8.360 nan 0.000 0.403 528 E N 3.544 123.887 120.200 0.238 0.000 2.194 528 E HA 0.085 4.435 4.350 -0.000 0.000 0.284 528 E C -1.057 175.785 176.600 0.405 0.000 1.035 528 E CA -0.096 56.460 56.400 0.261 0.000 0.836 528 E CB 0.694 30.496 29.700 0.170 0.000 1.070 528 E HN 0.475 nan 8.360 nan 0.000 0.401 529 W N 6.728 128.169 121.300 0.235 0.000 2.330 529 W HA 0.297 4.957 4.660 -0.000 0.000 0.286 529 W C -2.758 173.962 176.519 0.335 0.000 1.019 529 W CA -2.671 54.866 57.345 0.320 0.000 1.485 529 W CB 0.598 30.209 29.460 0.252 0.000 1.457 529 W HN 0.281 nan 8.180 nan 0.000 0.359 530 P HA -0.002 nan 4.420 nan 0.000 0.269 530 P C 0.411 177.883 177.300 0.286 0.000 1.215 530 P CA 0.498 63.813 63.100 0.359 0.000 0.780 530 P CB 0.773 32.605 31.700 0.219 0.000 0.898 531 N N 1.059 119.783 118.700 0.041 0.000 2.416 531 N HA 0.047 4.787 4.740 -0.000 0.000 0.246 531 N C -0.609 174.927 175.510 0.043 0.000 1.260 531 N CA 0.351 53.272 53.050 -0.215 0.000 0.897 531 N CB 0.127 38.534 38.487 -0.133 0.000 1.110 531 N HN 0.334 nan 8.380 nan 0.000 0.439 532 F N 1.018 120.922 119.950 -0.078 0.000 2.450 532 F HA 0.469 4.996 4.527 -0.000 0.000 0.332 532 F C -0.141 175.675 175.800 0.027 0.000 1.093 532 F CA -0.364 57.668 58.000 0.054 0.000 1.003 532 F CB 0.880 39.996 39.000 0.194 0.000 1.151 532 F HN 0.448 nan 8.300 nan 0.000 0.474 533 S N 4.377 119.611 115.700 -0.776 0.000 2.578 533 S HA 0.220 4.690 4.470 -0.000 0.000 0.272 533 S C 0.202 174.414 174.600 -0.647 0.000 1.145 533 S CA -0.789 57.107 58.200 -0.508 0.000 0.835 533 S CB 1.583 64.664 63.200 -0.198 0.000 1.104 533 S HN 0.929 nan 8.310 nan 0.000 0.458 534 K N 0.676 120.859 120.400 -0.362 0.000 2.127 534 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 534 K C 1.302 177.773 176.600 -0.215 0.000 1.047 534 K CA 2.466 58.604 56.287 -0.249 0.000 0.927 534 K CB -0.365 32.071 32.500 -0.107 0.000 0.716 534 K HN 0.642 nan 8.250 nan 0.000 0.450 535 E N 0.968 121.060 120.200 -0.180 0.000 2.012 535 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 535 E C 0.455 176.972 176.600 -0.139 0.000 1.007 535 E CA 1.737 58.060 56.400 -0.127 0.000 0.816 535 E CB -0.165 29.477 29.700 -0.097 0.000 0.762 535 E HN 0.382 nan 8.360 nan 0.000 0.451 536 D N -0.032 120.264 120.400 -0.174 0.000 2.432 536 D HA 0.172 4.812 4.640 -0.000 0.000 0.265 536 D C -2.510 173.639 176.300 -0.251 0.000 1.160 536 D CA -2.390 51.520 54.000 -0.151 0.000 0.911 536 D CB 0.935 41.682 40.800 -0.089 0.000 1.052 536 D HN -0.164 nan 8.370 nan 0.000 0.508 537 P HA 0.075 nan 4.420 nan 0.000 0.225 537 P C -0.337 177.000 177.300 0.061 0.000 1.768 537 P CA -0.278 62.549 63.100 -0.454 0.000 0.943 537 P CB 0.086 31.622 31.700 -0.274 0.000 1.936 538 V N 2.346 122.306 119.914 0.077 0.000 2.637 538 V HA 0.143 4.263 4.120 -0.000 0.000 0.296 538 V C 0.392 176.690 176.094 0.339 0.000 1.046 538 V CA 0.092 62.435 62.300 0.071 0.000 1.066 538 V CB -0.699 31.160 31.823 0.060 0.000 0.968 538 V HN 0.323 nan 8.190 nan 0.000 0.483 539 Y N 2.708 123.152 120.300 0.240 0.000 2.634 539 Y HA 0.730 5.280 4.550 -0.000 0.000 0.340 539 Y C -1.126 174.848 175.900 0.123 0.000 1.058 539 Y CA -2.095 56.194 58.100 0.315 0.000 1.081 539 Y CB 1.298 39.885 38.460 0.212 0.000 1.295 539 Y HN 0.463 nan 8.280 nan 0.000 0.487 540 Y N 2.259 122.612 120.300 0.089 0.000 2.342 540 Y HA 0.557 5.107 4.550 -0.000 0.000 0.338 540 Y C -0.627 175.192 175.900 -0.135 0.000 0.965 540 Y CA -1.375 56.419 58.100 -0.510 0.000 1.159 540 Y CB 0.804 38.143 38.460 -1.868 0.000 1.157 540 Y HN 0.635 nan 8.280 nan 0.000 0.486 541 I N 8.101 128.593 120.570 -0.130 0.000 2.363 541 I HA -0.033 4.137 4.170 -0.000 0.000 0.292 541 I C 0.313 176.475 176.117 0.075 0.000 1.075 541 I CA 0.134 61.519 61.300 0.142 0.000 1.333 541 I CB 0.210 38.283 38.000 0.122 0.000 1.415 541 I HN 0.678 nan 8.210 nan 0.000 0.502 542 F N 3.673 123.844 119.950 0.368 0.000 2.026 542 F HA -0.050 4.476 4.527 -0.000 0.000 0.288 542 F C 1.565 177.477 175.800 0.187 0.000 1.263 542 F CA 0.413 58.628 58.000 0.359 0.000 1.136 542 F CB -0.551 38.642 39.000 0.321 0.000 0.980 542 F HN 0.364 nan 8.300 nan 0.000 0.494 543 S N 0.057 116.004 115.700 0.413 0.000 4.653 543 S HA -0.194 4.276 4.470 -0.000 0.000 0.612 543 S C 0.022 174.740 174.600 0.197 0.000 1.021 543 S CA 0.659 58.946 58.200 0.144 0.000 1.191 543 S CB -0.703 62.462 63.200 -0.058 0.000 2.262 543 S HN 0.457 nan 8.310 nan 0.000 0.325 544 T N 2.464 117.137 114.554 0.198 0.000 3.630 544 T HA 0.281 4.631 4.350 -0.000 0.000 0.238 544 T C -0.866 173.961 174.700 0.211 0.000 1.195 544 T CA -0.482 61.724 62.100 0.176 0.000 1.433 544 T CB 0.079 69.041 68.868 0.157 0.000 0.940 544 T HN 0.601 nan 8.240 nan 0.000 0.641 545 D N 2.116 122.686 120.400 0.284 0.000 2.425 545 D HA 0.485 5.125 4.640 -0.000 0.000 0.240 545 D C -0.728 175.620 176.300 0.080 0.000 1.080 545 D CA 0.349 54.469 54.000 0.200 0.000 0.836 545 D CB 0.719 41.541 40.800 0.036 0.000 1.125 545 D HN 0.174 nan 8.370 nan 0.000 0.525 546 D N 2.376 122.815 120.400 0.064 0.000 10.699 546 D HA -0.177 4.463 4.640 -0.000 0.000 0.332 546 D C -1.075 175.247 176.300 0.038 0.000 3.140 546 D CA 0.229 54.252 54.000 0.038 0.000 2.729 546 D CB 0.421 41.231 40.800 0.016 0.000 1.225 546 D HN 0.389 nan 8.370 nan 0.000 0.945 547 K N 2.802 123.219 120.400 0.028 0.000 2.257 547 K HA 0.434 4.754 4.320 -0.000 0.000 0.270 547 K C 0.183 176.787 176.600 0.007 0.000 1.098 547 K CA -0.406 55.894 56.287 0.021 0.000 0.943 547 K CB 0.314 32.828 32.500 0.024 0.000 1.316 547 K HN 0.268 nan 8.250 nan 0.000 0.447 548 I N 0.924 121.492 120.570 -0.003 0.000 3.449 548 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 548 I C 0.196 176.288 176.117 -0.041 0.000 1.163 548 I CA -1.010 60.280 61.300 -0.015 0.000 1.010 548 I CB 1.317 39.310 38.000 -0.011 0.000 1.307 548 I HN 0.368 nan 8.210 nan 0.000 0.518 549 E N 1.533 121.701 120.200 -0.054 0.000 2.290 549 E HA 0.082 4.432 4.350 -0.000 0.000 0.277 549 E C 0.325 176.832 176.600 -0.155 0.000 1.035 549 E CA 0.004 56.351 56.400 -0.088 0.000 0.873 549 E CB 0.778 30.431 29.700 -0.078 0.000 1.029 549 E HN 0.243 nan 8.360 nan 0.000 0.419 550 K N 3.878 124.141 120.400 -0.228 0.000 1.984 550 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 550 K C 1.634 177.905 176.600 -0.548 0.000 1.046 550 K CA 1.084 57.096 56.287 -0.458 0.000 0.934 550 K CB -0.521 31.650 32.500 -0.548 0.000 0.717 550 K HN 0.567 nan 8.250 nan 0.000 0.438 551 L N 0.597 121.573 121.223 -0.412 0.000 1.886 551 L HA -0.133 4.207 4.340 -0.000 0.000 0.226 551 L C 0.795 177.384 176.870 -0.468 0.000 1.091 551 L CA 1.178 55.788 54.840 -0.384 0.000 0.799 551 L CB -0.691 41.233 42.059 -0.224 0.000 0.889 551 L HN 0.386 nan 8.230 nan 0.000 0.429 552 A N -1.070 121.511 122.820 -0.398 0.000 2.435 552 A HA -0.130 4.190 4.320 -0.000 0.000 0.686 552 A C 0.473 177.585 177.584 -0.786 0.000 0.138 552 A CA 0.718 52.460 52.037 -0.492 0.000 0.024 552 A CB -0.758 17.988 19.000 -0.423 0.000 3.974 552 A HN 0.589 nan 8.150 nan 0.000 0.548 553 R N 0.675 120.938 120.500 -0.396 0.000 2.880 553 R HA 0.185 4.525 4.340 -0.000 0.000 0.156 553 R C 2.080 178.446 176.300 0.109 0.000 0.884 553 R CA 0.548 56.552 56.100 -0.161 0.000 1.623 553 R CB -0.435 29.802 30.300 -0.105 0.000 1.687 553 R HN 1.279 nan 8.270 nan 0.000 0.538 554 G N 3.076 111.912 108.800 0.061 0.000 2.604 554 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 554 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 554 G C -1.058 173.914 174.900 0.120 0.000 1.265 554 G CA 1.057 46.206 45.100 0.083 0.000 0.804 554 G HN 0.104 nan 8.290 nan 0.000 0.579 555 P HA -0.190 nan 4.420 nan 0.000 0.221 555 P C 2.116 179.453 177.300 0.062 0.000 1.160 555 P CA 1.263 64.430 63.100 0.113 0.000 0.933 555 P CB -0.203 31.587 31.700 0.150 0.000 0.793 556 L N -1.676 119.549 121.223 0.002 0.000 2.017 556 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 556 L C 2.535 179.410 176.870 0.009 0.000 1.073 556 L CA 1.707 56.463 54.840 -0.140 0.000 0.745 556 L CB -1.205 40.558 42.059 -0.493 0.000 0.894 556 L HN -0.044 nan 8.230 nan 0.000 0.432 557 A N -0.085 122.778 122.820 0.071 0.000 1.940 557 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 557 A C 2.483 180.123 177.584 0.094 0.000 1.176 557 A CA 1.910 53.999 52.037 0.086 0.000 0.631 557 A CB -0.733 18.314 19.000 0.078 0.000 0.814 557 A HN 0.440 nan 8.150 nan 0.000 0.446 558 A N -0.652 122.219 122.820 0.085 0.000 1.898 558 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 558 A C 2.271 179.924 177.584 0.116 0.000 1.181 558 A CA 1.268 53.354 52.037 0.082 0.000 0.620 558 A CB -0.435 18.602 19.000 0.062 0.000 0.819 558 A HN 0.464 nan 8.150 nan 0.000 0.442 559 R N -0.498 120.080 120.500 0.130 0.000 2.096 559 R HA -0.171 4.169 4.340 -0.000 0.000 0.229 559 R C 2.252 178.757 176.300 0.342 0.000 1.134 559 R CA 1.972 58.195 56.100 0.205 0.000 0.917 559 R CB -1.150 29.256 30.300 0.177 0.000 0.832 559 R HN 0.591 nan 8.270 nan 0.000 0.430 560 c N 0.039 118.820 118.600 0.302 0.000 2.448 560 c HA 0.007 4.577 4.570 -0.000 0.000 0.280 560 c C 2.913 177.197 174.090 0.324 0.000 1.398 560 c CA 0.441 56.995 56.329 0.375 0.000 1.774 560 c CB -0.852 41.805 42.510 0.245 0.000 1.888 560 c HN 0.565 nan 8.230 nan 0.000 0.519 561 S N 0.361 116.199 115.700 0.230 0.000 2.420 561 S HA -0.207 4.263 4.470 -0.000 0.000 0.237 561 S C 1.520 176.235 174.600 0.192 0.000 1.023 561 S CA 1.450 59.753 58.200 0.172 0.000 0.991 561 S CB -0.434 62.840 63.200 0.123 0.000 0.792 561 S HN 0.647 nan 8.310 nan 0.000 0.488 562 F N 0.491 120.496 119.950 0.091 0.000 2.084 562 F HA 0.006 4.533 4.527 -0.000 0.000 0.296 562 F C 1.548 177.344 175.800 -0.007 0.000 1.111 562 F CA 1.586 59.585 58.000 -0.002 0.000 1.224 562 F CB -0.737 38.137 39.000 -0.210 0.000 0.991 562 F HN 0.294 nan 8.300 nan 0.000 0.471 563 W N 0.664 121.979 121.300 0.024 0.000 2.467 563 W HA -0.042 4.618 4.660 -0.000 0.000 0.275 563 W C 1.931 178.408 176.519 -0.069 0.000 1.239 563 W CA 0.780 58.076 57.345 -0.082 0.000 1.266 563 W CB -0.483 29.087 29.460 0.184 0.000 1.112 563 W HN -0.001 nan 8.180 nan 0.000 0.576 564 N N -0.541 118.287 118.700 0.215 0.000 2.356 564 N HA -0.044 4.696 4.740 -0.000 0.000 0.178 564 N C 0.527 176.076 175.510 0.065 0.000 1.075 564 N CA 1.092 54.224 53.050 0.136 0.000 0.889 564 N CB -0.020 38.562 38.487 0.158 0.000 0.999 564 N HN 0.204 nan 8.380 nan 0.000 0.464 565 D N -1.127 119.302 120.400 0.048 0.000 2.602 565 D HA -0.010 4.630 4.640 -0.000 0.000 0.284 565 D C 1.406 177.724 176.300 0.030 0.000 1.065 565 D CA 0.078 54.103 54.000 0.041 0.000 0.923 565 D CB -0.120 40.719 40.800 0.065 0.000 1.373 565 D HN 0.119 nan 8.370 nan 0.000 0.492 566 Y N 1.638 121.851 120.300 -0.145 0.000 2.230 566 Y HA 0.093 4.643 4.550 -0.000 0.000 0.294 566 Y C 2.047 177.774 175.900 -0.289 0.000 1.120 566 Y CA 0.599 58.586 58.100 -0.189 0.000 1.129 566 Y CB -0.384 37.971 38.460 -0.175 0.000 1.040 566 Y HN -0.177 nan 8.280 nan 0.000 0.519 567 L N 1.462 122.271 121.223 -0.690 0.000 2.043 567 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 567 L C -0.908 175.692 176.870 -0.449 0.000 1.075 567 L CA 2.092 56.457 54.840 -0.792 0.000 0.752 567 L CB -1.706 39.855 42.059 -0.829 0.000 0.891 567 L HN 0.103 nan 8.230 nan 0.000 0.432 568 P HA -0.195 nan 4.420 nan 0.000 0.217 568 P C 1.316 178.518 177.300 -0.163 0.000 1.148 568 P CA 1.644 64.656 63.100 -0.147 0.000 0.828 568 P CB 0.002 31.657 31.700 -0.074 0.000 0.783 569 K N -0.822 119.440 120.400 -0.230 0.000 2.031 569 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 569 K C 1.967 178.429 176.600 -0.229 0.000 1.049 569 K CA 1.181 57.355 56.287 -0.189 0.000 0.939 569 K CB -1.010 31.398 32.500 -0.155 0.000 0.717 569 K HN -0.019 nan 8.250 nan 0.000 0.438 570 V N 1.952 121.602 119.914 -0.440 0.000 2.324 570 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 570 V C 2.311 178.296 176.094 -0.181 0.000 1.060 570 V CA 1.764 63.858 62.300 -0.342 0.000 1.042 570 V CB -0.604 30.934 31.823 -0.475 0.000 0.650 570 V HN 0.295 nan 8.190 nan 0.000 0.450 571 R N 0.315 120.703 120.500 -0.188 0.000 2.094 571 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 571 R C 1.570 177.856 176.300 -0.023 0.000 1.137 571 R CA 1.517 57.559 56.100 -0.096 0.000 0.943 571 R CB -0.705 29.545 30.300 -0.084 0.000 0.850 571 R HN 0.413 nan 8.270 nan 0.000 0.433 572 S N 0.836 116.530 115.700 -0.010 0.000 3.185 572 S HA -0.119 4.351 4.470 -0.000 0.000 0.242 572 S C -1.103 173.632 174.600 0.224 0.000 0.824 572 S CA 0.455 58.701 58.200 0.075 0.000 1.754 572 S CB -0.940 62.275 63.200 0.025 0.000 1.443 572 S HN 0.421 nan 8.310 nan 0.000 0.617 573 W N -0.503 120.767 121.300 -0.050 0.000 3.127 573 W HA 0.039 4.699 4.660 -0.000 0.000 0.452 573 W C -0.062 176.433 176.519 -0.040 0.000 1.811 573 W CA 0.963 58.286 57.345 -0.038 0.000 0.476 573 W CB -1.219 28.223 29.460 -0.030 0.000 2.865 573 W HN 0.930 nan 8.180 nan 0.000 0.453 574 A N 0.000 122.743 122.820 -0.128 0.000 2.254 574 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 574 A CA 0.000 51.964 52.037 -0.122 0.000 0.836 574 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 574 A HN 0.000 nan 8.150 nan 0.000 0.486