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 3kwx_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPADWRSQS IYFLLTDRFA RTDGSTTATc NTADQKYcGG TWQGIIDKLD DATA SEQUENCE YIQGMGFTAI WITPVTAQLP QTTAYGDAYH GYWQQDIYSL NENYGTADDL DATA SEQUENCE KALSSALHER GMYLMVDVVA NHMGYDGAGS SVDYSVFKPF SSQDYFHPFc DATA SEQUENCE FIQNYEDQTQ VEDcWLGDNT VSLPDLDTTK DVVKNEWYDW VGSLVSNYSI DATA SEQUENCE DGLRIDTVKH VQKDFWPGYN KAAGVYCIGE VLDGDPAYTc PYQNVMDGVL DATA SEQUENCE NYPIYYPLLN AFKSTSGSMD DLYNMINTVK SDcPDSTLLG TFVENHDNPR DATA SEQUENCE FASYTNDIAL AKNVAAFIIL NDGIPIIYAG QEQHYAGGND PANREATWLS DATA SEQUENCE GYPTDSELYK LIASANAIRN YAISKDTGFV TYKNWPIYKD DTTIAMRKGT DATA SEQUENCE DGSQIVTILS NKGASGDSYT LSLSGAGYTA GQQLTEVIGc TTVTVGSDGN DATA SEQUENCE VPVPMAGGLP RVLYPTEKLA GSKIcS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.691 177.584 0.179 0.000 1.274 1 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 1 A CB 0.000 18.635 19.000 -0.608 0.000 0.831 2 T N -0.111 114.528 114.554 0.142 0.000 2.849 2 T HA 0.572 4.922 4.350 -0.001 0.000 0.284 2 T C -1.776 173.083 174.700 0.264 0.000 1.004 2 T CA -1.173 61.035 62.100 0.180 0.000 1.021 2 T CB 0.763 69.689 68.868 0.097 0.000 1.013 2 T HN 0.240 nan 8.240 nan 0.000 0.527 3 P HA -0.164 nan 4.420 nan 0.000 0.216 3 P C 1.748 179.074 177.300 0.044 0.000 1.157 3 P CA 1.925 65.090 63.100 0.110 0.000 0.880 3 P CB -0.386 31.421 31.700 0.178 0.000 0.791 4 A N -0.101 122.761 122.820 0.070 0.000 1.883 4 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 4 A C 2.054 179.671 177.584 0.055 0.000 1.186 4 A CA 2.328 54.396 52.037 0.051 0.000 0.624 4 A CB -1.604 17.423 19.000 0.045 0.000 0.822 4 A HN 0.115 nan 8.150 nan 0.000 0.444 5 D N -1.693 118.749 120.400 0.071 0.000 2.182 5 D HA -0.167 4.472 4.640 -0.001 0.000 0.201 5 D C 1.520 177.851 176.300 0.052 0.000 0.986 5 D CA 0.992 55.028 54.000 0.059 0.000 0.847 5 D CB -0.290 40.542 40.800 0.052 0.000 0.942 5 D HN 0.770 nan 8.370 nan 0.000 0.467 6 W N 0.838 122.113 121.300 -0.042 0.000 2.640 6 W HA 0.136 4.796 4.660 -0.001 0.000 0.268 6 W C 2.423 178.859 176.519 -0.138 0.000 1.263 6 W CA -0.154 57.121 57.345 -0.117 0.000 1.344 6 W CB 0.100 29.228 29.460 -0.553 0.000 1.093 6 W HN -0.155 nan 8.180 nan 0.000 0.603 7 R N 0.180 120.721 120.500 0.067 0.000 2.133 7 R HA -0.206 4.134 4.340 -0.001 0.000 0.247 7 R C 2.077 178.434 176.300 0.096 0.000 1.151 7 R CA 1.976 58.114 56.100 0.064 0.000 0.971 7 R CB -0.818 29.513 30.300 0.052 0.000 0.866 7 R HN 0.185 nan 8.270 nan 0.000 0.447 8 S N 0.014 115.752 115.700 0.062 0.000 2.562 8 S HA 0.036 4.506 4.470 -0.001 0.000 0.221 8 S C 0.624 175.232 174.600 0.012 0.000 0.975 8 S CA -0.149 58.073 58.200 0.037 0.000 0.918 8 S CB 0.225 63.413 63.200 -0.020 0.000 0.772 8 S HN 0.068 nan 8.310 nan 0.000 0.531 9 Q N 2.346 122.176 119.800 0.049 0.000 2.368 9 Q HA 0.488 4.828 4.340 -0.001 0.000 0.237 9 Q C -0.112 175.994 176.000 0.177 0.000 0.987 9 Q CA 0.023 55.861 55.803 0.059 0.000 0.896 9 Q CB 1.352 30.150 28.738 0.100 0.000 1.241 9 Q HN 0.511 nan 8.270 nan 0.000 0.485 10 S N 0.595 116.416 115.700 0.202 0.000 2.557 10 S HA 0.680 5.149 4.470 -0.001 0.000 0.291 10 S C -0.633 174.277 174.600 0.517 0.000 1.116 10 S CA -0.821 57.574 58.200 0.325 0.000 0.992 10 S CB 0.742 64.069 63.200 0.211 0.000 1.028 10 S HN 0.467 nan 8.310 nan 0.000 0.484 11 I N 3.700 124.578 120.570 0.514 0.000 2.354 11 I HA 0.326 4.496 4.170 -0.001 0.000 0.292 11 I C -1.070 175.120 176.117 0.122 0.000 0.989 11 I CA -0.872 60.673 61.300 0.409 0.000 1.188 11 I CB 1.367 39.631 38.000 0.440 0.000 1.342 11 I HN 0.768 nan 8.210 nan 0.000 0.457 12 Y N 7.758 127.856 120.300 -0.337 0.000 2.367 12 Y HA 0.342 4.891 4.550 -0.001 0.000 0.342 12 Y C -0.762 175.021 175.900 -0.195 0.000 0.979 12 Y CA -0.712 56.986 58.100 -0.669 0.000 1.161 12 Y CB 0.669 38.555 38.460 -0.958 0.000 1.155 12 Y HN 0.422 nan 8.280 nan 0.000 0.503 13 F N 8.738 128.319 119.950 -0.616 0.000 2.408 13 F HA 0.643 5.170 4.527 -0.001 0.000 0.344 13 F C -1.803 173.571 175.800 -0.710 0.000 1.112 13 F CA -1.464 56.146 58.000 -0.651 0.000 1.096 13 F CB 0.570 39.036 39.000 -0.889 0.000 1.129 13 F HN 0.394 nan 8.300 nan 0.000 0.486 14 L N 4.249 124.899 121.223 -0.955 0.000 2.376 14 L HA 0.693 5.033 4.340 -0.001 0.000 0.258 14 L C -1.954 174.542 176.870 -0.623 0.000 1.013 14 L CA -1.183 53.168 54.840 -0.816 0.000 0.822 14 L CB 1.518 43.235 42.059 -0.571 0.000 1.388 14 L HN 0.454 nan 8.230 nan 0.000 0.413 15 L N 1.636 122.643 121.223 -0.361 0.000 2.260 15 L HA 0.459 4.799 4.340 -0.001 0.000 0.289 15 L C 1.433 178.298 176.870 -0.008 0.000 1.057 15 L CA 0.525 55.287 54.840 -0.130 0.000 0.811 15 L CB 1.149 43.214 42.059 0.009 0.000 1.184 15 L HN 0.921 nan 8.230 nan 0.000 0.429 16 T N 0.666 115.171 114.554 -0.081 0.000 2.699 16 T HA -0.229 4.121 4.350 -0.001 0.000 0.268 16 T C 1.341 176.023 174.700 -0.030 0.000 1.036 16 T CA 1.929 63.938 62.100 -0.152 0.000 1.147 16 T CB -0.087 68.409 68.868 -0.620 0.000 0.862 16 T HN 0.705 nan 8.240 nan 0.000 0.446 17 D N 0.242 120.687 120.400 0.074 0.000 2.310 17 D HA -0.060 4.579 4.640 -0.001 0.000 0.212 17 D C 1.979 178.487 176.300 0.346 0.000 0.965 17 D CA 0.685 54.888 54.000 0.338 0.000 0.879 17 D CB 0.205 41.288 40.800 0.473 0.000 0.921 17 D HN 0.097 nan 8.370 nan 0.000 0.510 18 R N -1.147 119.499 120.500 0.243 0.000 2.509 18 R HA 0.107 4.446 4.340 -0.001 0.000 0.297 18 R C 0.953 177.295 176.300 0.069 0.000 0.951 18 R CA -0.166 55.973 56.100 0.065 0.000 1.103 18 R CB -0.280 29.988 30.300 -0.053 0.000 1.283 18 R HN 0.240 nan 8.270 nan 0.000 0.534 19 F N 1.141 121.193 119.950 0.171 0.000 2.188 19 F HA 0.407 4.934 4.527 -0.001 0.000 0.289 19 F C 0.080 176.186 175.800 0.510 0.000 1.082 19 F CA 0.349 58.476 58.000 0.212 0.000 1.282 19 F CB 0.408 39.508 39.000 0.167 0.000 1.060 19 F HN -0.115 nan 8.300 nan 0.000 0.493 20 A N 0.775 123.794 122.820 0.331 0.000 2.480 20 A HA 0.572 4.891 4.320 -0.001 0.000 0.289 20 A C -0.752 176.849 177.584 0.028 0.000 1.044 20 A CA -0.808 51.301 52.037 0.120 0.000 0.761 20 A CB 0.737 19.622 19.000 -0.193 0.000 1.289 20 A HN 0.250 nan 8.150 nan 0.000 0.401 21 R N 1.105 121.428 120.500 -0.295 0.000 2.615 21 R HA 0.438 4.777 4.340 -0.001 0.000 0.270 21 R C 0.983 177.172 176.300 -0.185 0.000 1.081 21 R CA 0.044 55.940 56.100 -0.340 0.000 1.154 21 R CB 0.504 30.422 30.300 -0.637 0.000 1.063 21 R HN 0.715 nan 8.270 nan 0.000 0.519 22 T N 1.104 115.585 114.554 -0.122 0.000 2.720 22 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 22 T C 1.147 175.788 174.700 -0.097 0.000 1.037 22 T CA 1.994 64.050 62.100 -0.073 0.000 1.144 22 T CB -0.308 68.532 68.868 -0.047 0.000 0.864 22 T HN 0.756 nan 8.240 nan 0.000 0.444 23 D N 0.704 121.021 120.400 -0.138 0.000 2.378 23 D HA 0.124 4.763 4.640 -0.001 0.000 0.227 23 D C 1.537 177.752 176.300 -0.142 0.000 1.012 23 D CA 0.793 54.716 54.000 -0.129 0.000 0.905 23 D CB -0.990 39.730 40.800 -0.134 0.000 0.895 23 D HN 0.469 nan 8.370 nan 0.000 0.532 24 G N 0.046 108.742 108.800 -0.174 0.000 2.166 24 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 24 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 24 G C 0.388 175.201 174.900 -0.145 0.000 0.986 24 G CA 0.639 45.648 45.100 -0.153 0.000 0.683 24 G HN 0.731 nan 8.290 nan 0.000 0.527 25 S N -0.149 115.411 115.700 -0.233 0.000 2.563 25 S HA 0.407 4.876 4.470 -0.001 0.000 0.284 25 S C 1.600 176.108 174.600 -0.154 0.000 1.331 25 S CA 1.420 59.493 58.200 -0.211 0.000 1.047 25 S CB 0.606 63.636 63.200 -0.283 0.000 0.859 25 S HN 1.276 nan 8.310 nan 0.000 0.514 26 T N -0.135 114.430 114.554 0.019 0.000 3.132 26 T HA 0.237 4.587 4.350 -0.001 0.000 0.274 26 T C 0.951 175.773 174.700 0.203 0.000 1.011 26 T CA 0.244 62.452 62.100 0.180 0.000 0.899 26 T CB -0.147 68.802 68.868 0.135 0.000 1.089 26 T HN 0.719 nan 8.240 nan 0.000 0.543 27 T N -2.071 112.564 114.554 0.135 0.000 3.009 27 T HA 0.561 4.911 4.350 -0.001 0.000 0.267 27 T C 0.984 175.768 174.700 0.141 0.000 0.942 27 T CA 0.198 62.369 62.100 0.118 0.000 0.883 27 T CB -0.166 68.730 68.868 0.047 0.000 1.192 27 T HN 0.475 nan 8.240 nan 0.000 0.524 28 A N 2.804 125.687 122.820 0.105 0.000 2.561 28 A HA 0.442 4.762 4.320 -0.001 0.000 0.251 28 A C 0.726 178.500 177.584 0.316 0.000 1.062 28 A CA 0.048 52.144 52.037 0.098 0.000 0.761 28 A CB -0.684 18.215 19.000 -0.167 0.000 0.986 28 A HN 0.430 nan 8.150 nan 0.000 0.510 29 T N 1.719 116.374 114.554 0.168 0.000 2.923 29 T HA 0.178 4.527 4.350 -0.001 0.000 0.304 29 T C 0.108 174.909 174.700 0.168 0.000 1.044 29 T CA 0.662 62.841 62.100 0.132 0.000 1.141 29 T CB 0.038 68.947 68.868 0.068 0.000 1.023 29 T HN 0.932 nan 8.240 nan 0.000 0.533 30 c N 5.641 124.283 118.600 0.070 0.000 3.296 30 c HA 0.319 4.889 4.570 -0.001 0.000 0.317 30 c C -0.240 173.798 174.090 -0.087 0.000 1.040 30 c CA -1.182 55.141 56.329 -0.009 0.000 1.352 30 c CB -0.677 41.776 42.510 -0.095 0.000 1.797 30 c HN 0.901 nan 8.230 nan 0.000 0.552 31 N N 1.983 120.645 118.700 -0.063 0.000 2.402 31 N HA 0.123 4.862 4.740 -0.001 0.000 0.252 31 N C 1.460 176.911 175.510 -0.099 0.000 1.118 31 N CA 0.683 53.688 53.050 -0.075 0.000 0.945 31 N CB 1.583 40.045 38.487 -0.042 0.000 1.147 31 N HN 0.777 nan 8.380 nan 0.000 0.495 32 T N 1.002 115.482 114.554 -0.122 0.000 2.803 32 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 32 T C 1.709 176.362 174.700 -0.078 0.000 1.052 32 T CA 1.155 63.176 62.100 -0.132 0.000 1.136 32 T CB -0.283 68.514 68.868 -0.117 0.000 0.864 32 T HN 0.403 nan 8.240 nan 0.000 0.467 33 A N 2.023 124.814 122.820 -0.049 0.000 2.019 33 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 33 A C 2.062 179.651 177.584 0.009 0.000 1.164 33 A CA 1.575 53.605 52.037 -0.013 0.000 0.644 33 A CB -0.632 18.360 19.000 -0.013 0.000 0.805 33 A HN 0.477 nan 8.150 nan 0.000 0.449 34 D N -0.556 119.838 120.400 -0.010 0.000 2.317 34 D HA -0.019 4.620 4.640 -0.001 0.000 0.211 34 D C 0.327 176.644 176.300 0.029 0.000 0.966 34 D CA 0.610 54.618 54.000 0.014 0.000 0.876 34 D CB -0.318 40.483 40.800 0.001 0.000 0.927 34 D HN 0.588 nan 8.370 nan 0.000 0.519 35 Q N -0.205 119.583 119.800 -0.019 0.000 2.434 35 Q HA -0.196 4.143 4.340 -0.001 0.000 0.299 35 Q C -0.294 175.726 176.000 0.033 0.000 1.286 35 Q CA 0.726 56.544 55.803 0.026 0.000 0.872 35 Q CB -0.802 28.093 28.738 0.262 0.000 1.193 35 Q HN 0.185 nan 8.270 nan 0.000 0.466 36 K N -0.163 120.183 120.400 -0.090 0.000 2.168 36 K HA 0.382 4.701 4.320 -0.001 0.000 0.239 36 K C -0.288 176.271 176.600 -0.067 0.000 0.999 36 K CA -0.861 55.428 56.287 0.004 0.000 0.900 36 K CB 0.365 32.900 32.500 0.058 0.000 1.111 36 K HN 0.023 nan 8.250 nan 0.000 0.452 37 Y N -0.109 120.237 120.300 0.076 0.000 2.526 37 Y HA -0.083 4.466 4.550 -0.001 0.000 0.330 37 Y C 1.376 177.314 175.900 0.064 0.000 1.156 37 Y CA 0.293 58.448 58.100 0.092 0.000 1.419 37 Y CB 0.333 38.837 38.460 0.073 0.000 1.250 37 Y HN 0.488 nan 8.280 nan 0.000 0.540 38 c N 1.158 119.912 118.600 0.257 0.000 2.912 38 c HA 0.336 4.905 4.570 -0.001 0.000 0.274 38 c C 1.672 175.944 174.090 0.304 0.000 1.248 38 c CA 0.607 57.098 56.329 0.270 0.000 1.694 38 c CB -0.520 42.159 42.510 0.281 0.000 2.024 38 c HN 1.195 nan 8.230 nan 0.000 0.605 39 G N 0.020 108.985 108.800 0.274 0.000 2.227 39 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.168 39 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.168 39 G C 0.352 175.301 174.900 0.081 0.000 1.006 39 G CA -0.122 45.038 45.100 0.099 0.000 0.684 39 G HN 0.720 nan 8.290 nan 0.000 0.489 40 G N 0.477 109.438 108.800 0.268 0.000 2.491 40 G HA2 0.620 4.580 3.960 -0.001 0.000 0.242 40 G HA3 0.620 4.580 3.960 -0.001 0.000 0.242 40 G C 0.354 175.347 174.900 0.155 0.000 1.266 40 G CA 1.311 46.563 45.100 0.253 0.000 0.844 40 G HN 1.433 nan 8.290 nan 0.000 0.571 41 T N -1.679 112.925 114.554 0.082 0.000 2.841 41 T HA 0.351 4.700 4.350 -0.001 0.000 0.296 41 T C 0.561 175.301 174.700 0.066 0.000 1.166 41 T CA -0.910 61.184 62.100 -0.011 0.000 1.007 41 T CB 1.373 70.242 68.868 0.002 0.000 1.253 41 T HN 0.498 nan 8.240 nan 0.000 0.511 42 W N 0.256 121.643 121.300 0.146 0.000 2.402 42 W HA -0.001 4.659 4.660 -0.000 0.000 0.286 42 W C 2.305 178.886 176.519 0.104 0.000 1.221 42 W CA 0.939 58.349 57.345 0.109 0.000 1.257 42 W CB -0.885 28.632 29.460 0.094 0.000 1.120 42 W HN 0.766 nan 8.180 nan 0.000 0.551 43 Q N 0.327 120.302 119.800 0.292 0.000 2.123 43 Q HA -0.025 4.315 4.340 -0.001 0.000 0.199 43 Q C 2.434 178.516 176.000 0.137 0.000 0.966 43 Q CA 2.224 58.139 55.803 0.186 0.000 0.845 43 Q CB -0.987 27.832 28.738 0.135 0.000 0.907 43 Q HN 0.141 nan 8.270 nan 0.000 0.439 44 G N 0.638 109.510 108.800 0.120 0.000 2.440 44 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 44 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 44 G C 1.419 176.419 174.900 0.168 0.000 1.154 44 G CA 1.084 46.236 45.100 0.086 0.000 0.767 44 G HN 0.425 nan 8.290 nan 0.000 0.552 45 I N 0.564 121.315 120.570 0.301 0.000 2.142 45 I HA -0.165 4.005 4.170 -0.001 0.000 0.240 45 I C 2.690 178.973 176.117 0.277 0.000 1.078 45 I CA 0.863 62.418 61.300 0.425 0.000 1.343 45 I CB -0.298 37.922 38.000 0.368 0.000 1.046 45 I HN 0.133 nan 8.210 nan 0.000 0.405 46 I N 0.954 121.642 120.570 0.197 0.000 2.185 46 I HA -0.360 3.809 4.170 -0.001 0.000 0.246 46 I C 1.789 177.964 176.117 0.097 0.000 1.088 46 I CA 1.548 62.926 61.300 0.131 0.000 1.347 46 I CB -0.564 37.503 38.000 0.113 0.000 1.041 46 I HN 0.306 nan 8.210 nan 0.000 0.415 47 D N 0.393 120.838 120.400 0.075 0.000 2.348 47 D HA -0.079 4.560 4.640 -0.001 0.000 0.216 47 D C 1.622 177.914 176.300 -0.014 0.000 0.970 47 D CA 0.864 54.874 54.000 0.016 0.000 0.889 47 D CB -0.002 40.785 40.800 -0.021 0.000 0.912 47 D HN 0.185 nan 8.370 nan 0.000 0.524 48 K N 0.174 120.600 120.400 0.043 0.000 2.414 48 K HA 0.244 4.564 4.320 -0.001 0.000 0.204 48 K C 1.678 178.394 176.600 0.193 0.000 1.026 48 K CA -0.187 56.114 56.287 0.025 0.000 1.108 48 K CB 0.533 32.968 32.500 -0.108 0.000 0.855 48 K HN 0.177 nan 8.250 nan 0.000 0.517 49 L N 0.536 121.851 121.223 0.153 0.000 2.191 49 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 49 L C 1.322 178.258 176.870 0.110 0.000 1.103 49 L CA 1.033 55.952 54.840 0.131 0.000 0.769 49 L CB -0.117 41.997 42.059 0.091 0.000 0.908 49 L HN 0.065 nan 8.230 nan 0.000 0.438 50 D N -0.824 119.637 120.400 0.102 0.000 2.144 50 D HA -0.231 4.408 4.640 -0.001 0.000 0.200 50 D C 1.855 178.241 176.300 0.142 0.000 0.978 50 D CA 1.124 55.178 54.000 0.091 0.000 0.833 50 D CB -0.101 40.737 40.800 0.064 0.000 0.961 50 D HN 0.339 nan 8.370 nan 0.000 0.470 51 Y N 1.062 121.396 120.300 0.056 0.000 2.181 51 Y HA -0.132 4.418 4.550 -0.001 0.000 0.288 51 Y C 2.093 178.086 175.900 0.156 0.000 1.146 51 Y CA 1.333 59.516 58.100 0.139 0.000 1.164 51 Y CB -0.184 38.335 38.460 0.099 0.000 0.982 51 Y HN -0.088 nan 8.280 nan 0.000 0.515 52 I N 0.052 120.693 120.570 0.118 0.000 2.193 52 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 52 I C 2.513 178.603 176.117 -0.046 0.000 1.084 52 I CA 1.645 62.856 61.300 -0.147 0.000 1.365 52 I CB -0.476 37.413 38.000 -0.185 0.000 1.064 52 I HN 0.253 nan 8.210 nan 0.000 0.410 53 Q N 0.849 120.655 119.800 0.011 0.000 2.224 53 Q HA -0.128 4.211 4.340 -0.001 0.000 0.203 53 Q C 2.042 178.020 176.000 -0.035 0.000 0.970 53 Q CA 1.331 57.139 55.803 0.009 0.000 0.865 53 Q CB -0.131 28.616 28.738 0.016 0.000 0.922 53 Q HN 0.567 nan 8.270 nan 0.000 0.445 54 G N -0.012 108.778 108.800 -0.016 0.000 2.625 54 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.214 54 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.214 54 G C 1.085 175.922 174.900 -0.105 0.000 1.132 54 G CA 0.098 45.204 45.100 0.011 0.000 0.782 54 G HN 0.293 nan 8.290 nan 0.000 0.538 55 M N -0.160 119.255 119.600 -0.308 0.000 2.371 55 M HA 0.249 4.728 4.480 -0.001 0.000 0.246 55 M C 1.630 177.603 176.300 -0.545 0.000 1.103 55 M CA 0.606 55.562 55.300 -0.573 0.000 1.010 55 M CB 0.788 33.000 32.600 -0.646 0.000 1.457 55 M HN 0.303 nan 8.290 nan 0.000 0.486 56 G N 0.859 109.444 108.800 -0.359 0.000 2.136 56 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.242 56 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.242 56 G C -0.162 174.512 174.900 -0.377 0.000 0.989 56 G CA -0.423 44.472 45.100 -0.340 0.000 0.682 56 G HN 0.350 nan 8.290 nan 0.000 0.522 57 F N 0.559 120.447 119.950 -0.103 0.000 2.410 57 F HA 0.508 5.034 4.527 -0.001 0.000 0.334 57 F C 1.844 177.616 175.800 -0.048 0.000 1.134 57 F CA 0.686 58.662 58.000 -0.040 0.000 1.227 57 F CB 1.370 40.375 39.000 0.009 0.000 1.194 57 F HN 0.105 nan 8.300 nan 0.000 0.571 58 T N -1.265 113.387 114.554 0.164 0.000 3.040 58 T HA 0.718 5.067 4.350 -0.001 0.000 0.266 58 T C -0.032 174.670 174.700 0.003 0.000 1.005 58 T CA 0.215 62.312 62.100 -0.006 0.000 0.906 58 T CB -0.123 68.665 68.868 -0.133 0.000 1.082 58 T HN 0.753 nan 8.240 nan 0.000 0.531 59 A N 1.405 124.331 122.820 0.176 0.000 2.608 59 A HA 0.745 5.064 4.320 -0.001 0.000 0.292 59 A C -1.335 176.429 177.584 0.299 0.000 1.066 59 A CA -1.196 50.992 52.037 0.252 0.000 0.676 59 A CB 0.986 20.208 19.000 0.370 0.000 1.277 59 A HN 0.771 nan 8.150 nan 0.000 0.413 60 I N -2.541 118.214 120.570 0.308 0.000 2.740 60 I HA 0.893 5.063 4.170 -0.001 0.000 0.303 60 I C -1.088 175.268 176.117 0.399 0.000 1.044 60 I CA -0.818 60.653 61.300 0.285 0.000 1.064 60 I CB 2.119 40.224 38.000 0.174 0.000 1.249 60 I HN 0.834 nan 8.210 nan 0.000 0.433 61 W N 8.213 129.616 121.300 0.171 0.000 2.471 61 W HA 0.738 5.398 4.660 -0.001 0.000 0.318 61 W C -1.410 175.229 176.519 0.200 0.000 1.034 61 W CA -1.989 55.454 57.345 0.162 0.000 1.224 61 W CB 0.785 30.299 29.460 0.090 0.000 1.335 61 W HN 0.636 nan 8.180 nan 0.000 0.452 62 I N 4.103 125.011 120.570 0.564 0.000 2.648 62 I HA 0.690 4.860 4.170 -0.001 0.000 0.304 62 I C 0.644 177.005 176.117 0.407 0.000 1.009 62 I CA -0.743 60.752 61.300 0.325 0.000 1.114 62 I CB 1.907 40.043 38.000 0.226 0.000 1.293 62 I HN 0.437 nan 8.210 nan 0.000 0.449 63 T N 2.203 116.894 114.554 0.227 0.000 2.802 63 T HA 0.290 4.639 4.350 -0.001 0.000 0.305 63 T C -2.396 172.383 174.700 0.132 0.000 1.053 63 T CA -1.015 61.192 62.100 0.177 0.000 1.058 63 T CB -0.192 68.702 68.868 0.044 0.000 0.988 63 T HN 0.500 nan 8.240 nan 0.000 0.539 64 P HA 0.065 nan 4.420 nan 0.000 0.266 64 P C 0.971 178.439 177.300 0.280 0.000 1.186 64 P CA -0.193 62.977 63.100 0.117 0.000 0.767 64 P CB 0.275 31.968 31.700 -0.012 0.000 0.820 65 V N -0.747 119.372 119.914 0.342 0.000 3.660 65 V HA 0.099 4.218 4.120 -0.001 0.000 0.276 65 V C 0.676 177.038 176.094 0.446 0.000 1.317 65 V CA 0.500 63.100 62.300 0.499 0.000 1.097 65 V CB -1.098 30.912 31.823 0.311 0.000 0.863 65 V HN 0.570 nan 8.190 nan 0.000 0.438 66 T N 0.263 115.042 114.554 0.374 0.000 2.898 66 T HA 0.664 5.014 4.350 -0.001 0.000 0.301 66 T C 0.423 175.291 174.700 0.281 0.000 1.049 66 T CA 0.252 62.560 62.100 0.347 0.000 1.095 66 T CB 1.252 70.323 68.868 0.337 0.000 0.976 66 T HN 1.031 nan 8.240 nan 0.000 0.539 67 A N 2.775 125.744 122.820 0.249 0.000 2.498 67 A HA 0.402 4.722 4.320 -0.001 0.000 0.239 67 A C 0.577 178.286 177.584 0.209 0.000 1.068 67 A CA -0.491 51.662 52.037 0.193 0.000 0.766 67 A CB 0.001 19.106 19.000 0.175 0.000 1.003 67 A HN 0.825 nan 8.150 nan 0.000 0.497 68 Q N 0.384 120.299 119.800 0.192 0.000 2.240 68 Q HA 0.467 4.806 4.340 -0.001 0.000 0.260 68 Q C -0.315 175.826 176.000 0.233 0.000 1.018 68 Q CA -1.039 54.909 55.803 0.242 0.000 0.898 68 Q CB 1.265 30.146 28.738 0.238 0.000 1.301 68 Q HN 0.804 nan 8.270 nan 0.000 0.469 69 L N -0.129 121.260 121.223 0.277 0.000 2.593 69 L HA 0.072 4.411 4.340 -0.001 0.000 0.287 69 L C -1.812 175.165 176.870 0.179 0.000 1.243 69 L CA -0.128 54.834 54.840 0.204 0.000 0.890 69 L CB -0.451 41.719 42.059 0.185 0.000 1.134 69 L HN 0.383 nan 8.230 nan 0.000 0.502 70 P HA 0.047 nan 4.420 nan 0.000 0.234 70 P C 0.013 177.371 177.300 0.097 0.000 1.175 70 P CA 0.419 63.577 63.100 0.096 0.000 0.801 70 P CB 0.293 32.022 31.700 0.048 0.000 0.891 71 Q N 0.153 119.991 119.800 0.063 0.000 2.421 71 Q HA 0.216 4.555 4.340 -0.001 0.000 0.255 71 Q C 0.111 176.175 176.000 0.106 0.000 1.013 71 Q CA 0.778 56.607 55.803 0.043 0.000 0.895 71 Q CB -0.447 28.272 28.738 -0.032 0.000 1.271 71 Q HN -0.092 nan 8.270 nan 0.000 0.460 72 T N 2.451 117.061 114.554 0.093 0.000 2.782 72 T HA 0.244 4.594 4.350 -0.001 0.000 0.298 72 T C 0.159 174.913 174.700 0.089 0.000 0.944 72 T CA -0.440 61.734 62.100 0.123 0.000 1.001 72 T CB -0.201 68.732 68.868 0.108 0.000 0.932 72 T HN 0.715 nan 8.240 nan 0.000 0.524 73 T N 0.615 115.240 114.554 0.119 0.000 2.770 73 T HA 0.505 4.854 4.350 -0.001 0.000 0.281 73 T C 1.830 176.559 174.700 0.049 0.000 0.981 73 T CA -0.370 61.749 62.100 0.032 0.000 0.955 73 T CB 0.725 69.579 68.868 -0.023 0.000 1.060 73 T HN 0.384 nan 8.240 nan 0.000 0.531 74 A N -0.220 122.562 122.820 -0.062 0.000 2.178 74 A HA 0.069 4.389 4.320 -0.001 0.000 0.218 74 A C 1.169 178.860 177.584 0.179 0.000 1.157 74 A CA 0.749 52.772 52.037 -0.024 0.000 0.689 74 A CB -0.917 17.992 19.000 -0.151 0.000 0.787 74 A HN 0.815 nan 8.150 nan 0.000 0.465 75 Y N -0.437 119.957 120.300 0.157 0.000 2.607 75 Y HA 0.430 4.980 4.550 -0.001 0.000 0.266 75 Y C 1.478 177.582 175.900 0.339 0.000 1.178 75 Y CA -0.479 57.771 58.100 0.249 0.000 1.226 75 Y CB -0.731 37.929 38.460 0.332 0.000 1.144 75 Y HN 0.448 nan 8.280 nan 0.000 0.528 76 G N 0.254 109.292 108.800 0.396 0.000 2.615 76 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 76 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 76 G C -0.793 174.328 174.900 0.367 0.000 1.339 76 G CA -0.654 44.645 45.100 0.331 0.000 0.884 76 G HN 0.100 nan 8.290 nan 0.000 0.559 77 D N 0.407 120.965 120.400 0.262 0.000 2.348 77 D HA 0.552 5.192 4.640 -0.001 0.000 0.249 77 D C 1.046 177.284 176.300 -0.104 0.000 1.110 77 D CA 0.469 54.560 54.000 0.152 0.000 0.967 77 D CB 1.254 42.071 40.800 0.028 0.000 1.139 77 D HN 1.057 nan 8.370 nan 0.000 0.466 78 A N 1.148 123.862 122.820 -0.178 0.000 2.810 78 A HA 0.002 4.321 4.320 -0.001 0.000 0.247 78 A C 0.910 177.900 177.584 -0.991 0.000 1.576 78 A CA -0.179 51.480 52.037 -0.630 0.000 1.294 78 A CB -1.396 17.606 19.000 0.003 0.000 0.976 78 A HN 0.599 nan 8.150 nan 0.000 0.631 79 Y N -0.821 118.821 120.300 -1.096 0.000 2.352 79 Y HA -0.213 4.336 4.550 -0.001 0.000 0.292 79 Y C 1.814 177.517 175.900 -0.329 0.000 1.136 79 Y CA 1.490 59.042 58.100 -0.912 0.000 1.227 79 Y CB -0.968 37.108 38.460 -0.640 0.000 0.991 79 Y HN 0.653 nan 8.280 nan 0.000 0.545 80 H N -1.507 117.056 119.070 -0.844 0.000 2.535 80 H HA 0.389 4.944 4.556 -0.001 0.000 0.273 80 H C 1.935 177.072 175.328 -0.319 0.000 0.983 80 H CA 0.084 55.860 56.048 -0.452 0.000 1.238 80 H CB -0.376 29.075 29.762 -0.519 0.000 1.412 80 H HN 0.386 nan 8.280 nan 0.000 0.562 81 G N -0.286 108.327 108.800 -0.311 0.000 2.175 81 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.244 81 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.244 81 G C 0.234 175.046 174.900 -0.146 0.000 0.982 81 G CA 0.326 45.341 45.100 -0.140 0.000 0.641 81 G HN 0.507 nan 8.290 nan 0.000 0.527 82 Y N -1.053 119.406 120.300 0.265 0.000 2.493 82 Y HA 0.422 4.972 4.550 -0.001 0.000 0.275 82 Y C 0.658 176.879 175.900 0.535 0.000 1.183 82 Y CA -0.564 57.711 58.100 0.292 0.000 1.258 82 Y CB 0.352 38.913 38.460 0.169 0.000 1.108 82 Y HN 0.356 nan 8.280 nan 0.000 0.521 83 W N 2.495 124.024 121.300 0.383 0.000 1.817 83 W HA 0.325 4.984 4.660 -0.001 0.000 0.289 83 W C -0.117 176.553 176.519 0.252 0.000 0.841 83 W CA -1.627 55.912 57.345 0.323 0.000 2.216 83 W CB -0.457 29.171 29.460 0.279 0.000 2.396 83 W HN 0.112 nan 8.180 nan 0.000 0.421 84 Q N -0.115 119.940 119.800 0.426 0.000 2.368 84 Q HA 0.291 4.630 4.340 -0.001 0.000 0.237 84 Q C 0.257 176.464 176.000 0.346 0.000 0.987 84 Q CA 0.291 56.288 55.803 0.324 0.000 0.896 84 Q CB 1.712 30.599 28.738 0.248 0.000 1.241 84 Q HN 0.384 nan 8.270 nan 0.000 0.485 85 Q N 0.057 120.060 119.800 0.339 0.000 2.360 85 Q HA 0.087 4.426 4.340 -0.001 0.000 0.261 85 Q C -0.713 175.500 176.000 0.356 0.000 0.802 85 Q CA 0.187 56.255 55.803 0.443 0.000 0.983 85 Q CB 1.084 30.057 28.738 0.392 0.000 1.211 85 Q HN 0.737 nan 8.270 nan 0.000 0.523 86 D N 1.049 121.599 120.400 0.250 0.000 2.421 86 D HA 0.146 4.785 4.640 -0.001 0.000 0.254 86 D C 0.532 176.936 176.300 0.173 0.000 1.238 86 D CA -0.326 53.793 54.000 0.199 0.000 0.919 86 D CB 0.923 41.839 40.800 0.194 0.000 1.152 86 D HN 0.226 nan 8.370 nan 0.000 0.552 87 I N 0.331 120.930 120.570 0.050 0.000 3.111 87 I HA 0.027 4.197 4.170 -0.001 0.000 0.272 87 I C 0.119 176.329 176.117 0.156 0.000 1.268 87 I CA 0.490 61.786 61.300 -0.006 0.000 1.467 87 I CB -0.158 37.530 38.000 -0.520 0.000 1.087 87 I HN 0.162 nan 8.210 nan 0.000 0.467 88 Y N 1.290 121.768 120.300 0.295 0.000 2.468 88 Y HA 0.363 4.913 4.550 -0.001 0.000 0.268 88 Y C 0.785 176.838 175.900 0.255 0.000 1.177 88 Y CA -0.312 57.971 58.100 0.304 0.000 1.265 88 Y CB 0.206 38.778 38.460 0.187 0.000 1.103 88 Y HN 0.092 nan 8.280 nan 0.000 0.522 89 S N 0.107 116.017 115.700 0.350 0.000 2.536 89 S HA 0.596 5.066 4.470 -0.001 0.000 0.298 89 S C -0.542 174.235 174.600 0.295 0.000 1.083 89 S CA -0.732 57.641 58.200 0.288 0.000 0.995 89 S CB 1.357 64.689 63.200 0.221 0.000 1.058 89 S HN 0.033 nan 8.310 nan 0.000 0.488 90 L N 2.281 123.679 121.223 0.292 0.000 2.421 90 L HA 0.414 4.753 4.340 -0.001 0.000 0.263 90 L C 0.704 177.717 176.870 0.238 0.000 1.122 90 L CA -0.850 54.188 54.840 0.331 0.000 0.804 90 L CB 0.354 42.666 42.059 0.422 0.000 1.150 90 L HN 0.545 nan 8.230 nan 0.000 0.457 91 N N 1.408 120.239 118.700 0.218 0.000 2.416 91 N HA -0.042 4.698 4.740 -0.001 0.000 0.265 91 N C 0.707 176.081 175.510 -0.226 0.000 1.195 91 N CA 0.400 53.419 53.050 -0.051 0.000 0.943 91 N CB 0.740 39.108 38.487 -0.198 0.000 1.115 91 N HN 0.559 nan 8.380 nan 0.000 0.481 92 E N 2.621 122.710 120.200 -0.185 0.000 2.265 92 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 92 E C 0.706 177.103 176.600 -0.339 0.000 0.996 92 E CA 0.875 57.168 56.400 -0.179 0.000 0.832 92 E CB 0.102 29.735 29.700 -0.111 0.000 0.756 92 E HN 0.656 nan 8.360 nan 0.000 0.491 93 N N -0.173 118.180 118.700 -0.579 0.000 2.272 93 N HA -0.178 4.561 4.740 -0.001 0.000 0.185 93 N C 0.778 175.992 175.510 -0.494 0.000 1.014 93 N CA 1.034 53.692 53.050 -0.654 0.000 0.870 93 N CB -0.042 37.819 38.487 -1.044 0.000 0.975 93 N HN 0.246 nan 8.380 nan 0.000 0.433 94 Y N -0.660 119.314 120.300 -0.543 0.000 2.462 94 Y HA 0.409 4.958 4.550 -0.001 0.000 0.261 94 Y C 1.563 176.995 175.900 -0.780 0.000 1.146 94 Y CA -0.046 57.502 58.100 -0.920 0.000 1.283 94 Y CB -0.076 37.267 38.460 -1.863 0.000 1.090 94 Y HN 0.027 nan 8.280 nan 0.000 0.526 95 G N -0.117 108.510 108.800 -0.289 0.000 2.306 95 G HA2 0.088 4.047 3.960 -0.001 0.000 0.262 95 G HA3 0.088 4.047 3.960 -0.001 0.000 0.262 95 G C -0.455 174.587 174.900 0.237 0.000 1.263 95 G CA -0.575 44.553 45.100 0.046 0.000 1.088 95 G HN 0.305 nan 8.290 nan 0.000 0.489 96 T N -2.138 112.623 114.554 0.345 0.000 2.948 96 T HA 0.772 5.121 4.350 -0.001 0.000 0.285 96 T C 1.791 176.722 174.700 0.385 0.000 1.019 96 T CA 0.693 62.983 62.100 0.316 0.000 1.013 96 T CB 1.530 70.516 68.868 0.198 0.000 1.117 96 T HN 2.208 nan 8.240 nan 0.000 0.533 97 A N 0.590 123.594 122.820 0.306 0.000 1.948 97 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 97 A C 1.960 179.695 177.584 0.252 0.000 1.177 97 A CA 1.945 54.171 52.037 0.315 0.000 0.636 97 A CB -1.148 18.048 19.000 0.326 0.000 0.815 97 A HN 0.897 nan 8.150 nan 0.000 0.449 98 D N 0.039 120.557 120.400 0.197 0.000 2.144 98 D HA -0.109 4.530 4.640 -0.001 0.000 0.200 98 D C 1.350 177.740 176.300 0.151 0.000 0.978 98 D CA 1.260 55.350 54.000 0.149 0.000 0.833 98 D CB -0.348 40.523 40.800 0.119 0.000 0.961 98 D HN 0.396 nan 8.370 nan 0.000 0.470 99 D N 0.263 120.789 120.400 0.208 0.000 2.117 99 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 99 D C 2.150 178.547 176.300 0.162 0.000 0.987 99 D CA 0.337 54.490 54.000 0.256 0.000 0.829 99 D CB -0.296 40.757 40.800 0.421 0.000 0.961 99 D HN 0.137 nan 8.370 nan 0.000 0.460 100 L N 1.517 122.720 121.223 -0.033 0.000 2.017 100 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 100 L C 1.891 178.659 176.870 -0.171 0.000 1.073 100 L CA 1.803 56.332 54.840 -0.518 0.000 0.745 100 L CB -0.431 40.974 42.059 -1.090 0.000 0.894 100 L HN -0.099 nan 8.230 nan 0.000 0.432 101 K N -0.569 119.862 120.400 0.052 0.000 2.147 101 K HA -0.092 4.227 4.320 -0.001 0.000 0.205 101 K C 2.023 178.651 176.600 0.046 0.000 1.049 101 K CA 1.196 57.541 56.287 0.097 0.000 0.936 101 K CB -0.384 32.189 32.500 0.121 0.000 0.722 101 K HN 0.456 nan 8.250 nan 0.000 0.446 102 A N 1.700 124.552 122.820 0.053 0.000 1.898 102 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 102 A C 2.134 179.737 177.584 0.031 0.000 1.181 102 A CA 1.044 53.114 52.037 0.055 0.000 0.620 102 A CB -0.452 18.598 19.000 0.083 0.000 0.819 102 A HN 0.232 nan 8.150 nan 0.000 0.442 103 L N -0.256 120.976 121.223 0.015 0.000 2.046 103 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 103 L C 2.540 179.364 176.870 -0.076 0.000 1.077 103 L CA 2.595 57.435 54.840 -0.000 0.000 0.747 103 L CB -0.918 41.138 42.059 -0.005 0.000 0.896 103 L HN 0.327 nan 8.230 nan 0.000 0.432 104 S N -0.922 114.705 115.700 -0.121 0.000 2.353 104 S HA -0.223 4.247 4.470 -0.001 0.000 0.222 104 S C 2.263 176.638 174.600 -0.374 0.000 1.035 104 S CA 1.958 60.003 58.200 -0.257 0.000 1.025 104 S CB -0.616 62.528 63.200 -0.094 0.000 0.902 104 S HN 0.827 nan 8.310 nan 0.000 0.440 105 S N 1.646 117.296 115.700 -0.083 0.000 2.368 105 S HA 0.051 4.520 4.470 -0.001 0.000 0.224 105 S C 2.135 176.742 174.600 0.012 0.000 1.029 105 S CA 1.197 59.418 58.200 0.035 0.000 0.988 105 S CB -1.015 62.230 63.200 0.076 0.000 0.838 105 S HN 0.667 nan 8.310 nan 0.000 0.462 106 A N 2.033 124.850 122.820 -0.006 0.000 1.940 106 A HA 0.073 4.392 4.320 -0.001 0.000 0.219 106 A C 2.346 179.930 177.584 0.000 0.000 1.176 106 A CA 1.571 53.615 52.037 0.013 0.000 0.631 106 A CB -0.919 18.097 19.000 0.028 0.000 0.814 106 A HN 0.559 nan 8.150 nan 0.000 0.446 107 L N -1.691 119.493 121.223 -0.064 0.000 2.056 107 L HA -0.197 4.142 4.340 -0.001 0.000 0.207 107 L C 2.522 179.403 176.870 0.019 0.000 1.078 107 L CA 1.704 56.516 54.840 -0.048 0.000 0.749 107 L CB -0.696 41.305 42.059 -0.097 0.000 0.901 107 L HN 0.547 nan 8.230 nan 0.000 0.433 108 H N -1.097 118.012 119.070 0.064 0.000 2.389 108 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 108 H C 1.956 177.302 175.328 0.029 0.000 1.081 108 H CA 0.978 57.060 56.048 0.056 0.000 1.345 108 H CB 0.221 30.020 29.762 0.062 0.000 1.393 108 H HN 0.333 nan 8.280 nan 0.000 0.520 109 E N 0.960 121.243 120.200 0.138 0.000 2.472 109 E HA -0.087 4.263 4.350 -0.001 0.000 0.200 109 E C 1.217 177.847 176.600 0.050 0.000 1.046 109 E CA 0.307 56.755 56.400 0.080 0.000 0.871 109 E CB 0.261 29.998 29.700 0.061 0.000 0.806 109 E HN 0.421 nan 8.360 nan 0.000 0.533 110 R N -1.420 119.108 120.500 0.047 0.000 2.472 110 R HA 0.182 4.522 4.340 -0.001 0.000 0.279 110 R C 0.802 177.102 176.300 0.000 0.000 0.953 110 R CA 0.442 56.554 56.100 0.020 0.000 1.088 110 R CB 1.101 31.412 30.300 0.019 0.000 1.197 110 R HN 0.159 nan 8.270 nan 0.000 0.536 111 G N 1.709 110.517 108.800 0.013 0.000 2.160 111 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.251 111 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.251 111 G C 0.078 174.912 174.900 -0.109 0.000 1.008 111 G CA 0.332 45.407 45.100 -0.041 0.000 0.724 111 G HN 0.166 nan 8.290 nan 0.000 0.514 112 M N -0.859 118.725 119.600 -0.027 0.000 2.598 112 M HA 0.661 5.140 4.480 -0.001 0.000 0.317 112 M C -0.202 176.160 176.300 0.103 0.000 1.201 112 M CA -1.030 54.236 55.300 -0.057 0.000 0.971 112 M CB 1.322 33.929 32.600 0.011 0.000 1.657 112 M HN 0.013 nan 8.290 nan 0.000 0.470 113 Y N 1.101 121.398 120.300 -0.004 0.000 2.387 113 Y HA 0.534 5.083 4.550 -0.002 0.000 0.330 113 Y C -0.468 175.520 175.900 0.147 0.000 1.133 113 Y CA -1.483 56.638 58.100 0.034 0.000 1.152 113 Y CB 1.065 39.347 38.460 -0.297 0.000 1.215 113 Y HN 0.407 nan 8.280 nan 0.000 0.466 114 L N 4.750 126.187 121.223 0.356 0.000 2.272 114 L HA 0.534 4.873 4.340 -0.001 0.000 0.289 114 L C -0.659 176.430 176.870 0.366 0.000 1.032 114 L CA -0.550 54.449 54.840 0.266 0.000 0.810 114 L CB 0.707 42.822 42.059 0.093 0.000 1.205 114 L HN 0.715 nan 8.230 nan 0.000 0.422 115 M N 5.619 125.446 119.600 0.378 0.000 2.268 115 M HA 0.627 5.106 4.480 -0.001 0.000 0.344 115 M C -1.649 174.750 176.300 0.166 0.000 1.106 115 M CA -0.554 54.896 55.300 0.251 0.000 1.010 115 M CB 1.535 34.248 32.600 0.187 0.000 1.649 115 M HN 0.428 nan 8.290 nan 0.000 0.443 116 V N 3.862 123.812 119.914 0.060 0.000 2.555 116 V HA 0.313 4.432 4.120 -0.001 0.000 0.302 116 V C -0.453 175.649 176.094 0.013 0.000 1.038 116 V CA -0.786 61.563 62.300 0.082 0.000 0.887 116 V CB 1.859 33.714 31.823 0.053 0.000 0.991 116 V HN 0.773 nan 8.190 nan 0.000 0.434 117 D N 3.224 123.692 120.400 0.113 0.000 2.348 117 D HA 0.364 5.003 4.640 -0.001 0.000 0.253 117 D C -0.437 175.937 176.300 0.123 0.000 1.161 117 D CA 0.276 54.329 54.000 0.089 0.000 0.876 117 D CB 1.576 42.576 40.800 0.334 0.000 1.160 117 D HN 0.467 nan 8.370 nan 0.000 0.459 118 V N 1.267 121.241 119.914 0.101 0.000 2.789 118 V HA 0.631 4.750 4.120 -0.001 0.000 0.311 118 V C -0.424 175.704 176.094 0.057 0.000 1.073 118 V CA -0.910 61.495 62.300 0.175 0.000 0.921 118 V CB 1.778 33.808 31.823 0.345 0.000 1.009 118 V HN 0.192 nan 8.190 nan 0.000 0.426 119 V N 3.713 123.614 119.914 -0.021 0.000 2.435 119 V HA 0.758 4.878 4.120 -0.001 0.000 0.290 119 V C 0.977 176.764 176.094 -0.512 0.000 1.030 119 V CA 0.523 62.711 62.300 -0.186 0.000 0.881 119 V CB 1.051 32.768 31.823 -0.177 0.000 0.983 119 V HN 1.272 nan 8.190 nan 0.000 0.445 120 A N 3.409 125.868 122.820 -0.602 0.000 2.192 120 A HA 0.116 4.435 4.320 -0.001 0.000 0.208 120 A C 1.711 178.953 177.584 -0.569 0.000 1.220 120 A CA 0.624 52.006 52.037 -1.092 0.000 0.900 120 A CB -0.275 18.016 19.000 -1.181 0.000 0.937 120 A HN 0.771 nan 8.150 nan 0.000 0.487 121 N N 0.645 119.120 118.700 -0.375 0.000 2.244 121 N HA -0.092 4.647 4.740 -0.001 0.000 0.183 121 N C 0.462 175.915 175.510 -0.095 0.000 1.016 121 N CA 1.665 54.605 53.050 -0.183 0.000 0.866 121 N CB -0.043 38.484 38.487 0.068 0.000 0.980 121 N HN 0.744 nan 8.380 nan 0.000 0.430 122 H N -3.812 115.217 119.070 -0.069 0.000 2.967 122 H HA 0.284 4.839 4.556 -0.001 0.000 0.318 122 H C -0.911 174.416 175.328 -0.001 0.000 1.375 122 H CA -0.968 55.033 56.048 -0.077 0.000 1.132 122 H CB 0.400 30.111 29.762 -0.085 0.000 1.848 122 H HN -0.199 nan 8.280 nan 0.000 0.524 123 M N 0.781 120.430 119.600 0.081 0.000 2.792 123 M HA 0.500 4.980 4.480 -0.001 0.000 0.294 123 M C 0.722 177.148 176.300 0.211 0.000 1.215 123 M CA -0.508 54.822 55.300 0.051 0.000 0.883 123 M CB 1.521 33.849 32.600 -0.453 0.000 1.620 123 M HN 0.808 nan 8.290 nan 0.000 0.511 124 G N -0.106 108.877 108.800 0.305 0.000 2.416 124 G HA2 0.605 4.564 3.960 -0.001 0.000 0.329 124 G HA3 0.605 4.564 3.960 -0.001 0.000 0.329 124 G C -2.303 172.798 174.900 0.335 0.000 1.173 124 G CA -0.172 45.081 45.100 0.254 0.000 0.929 124 G HN 0.591 nan 8.290 nan 0.000 0.475 125 Y N 1.210 121.519 120.300 0.014 0.000 2.433 125 Y HA 0.389 4.938 4.550 -0.001 0.000 0.337 125 Y C -1.056 174.775 175.900 -0.114 0.000 1.026 125 Y CA -1.105 57.011 58.100 0.027 0.000 1.037 125 Y CB 2.496 41.014 38.460 0.096 0.000 1.245 125 Y HN 0.536 nan 8.280 nan 0.000 0.443 126 D N 3.784 123.844 120.400 -0.566 0.000 2.402 126 D HA 0.506 5.145 4.640 -0.001 0.000 0.235 126 D C 0.050 176.105 176.300 -0.409 0.000 1.226 126 D CA 1.530 55.264 54.000 -0.444 0.000 0.918 126 D CB -0.069 40.508 40.800 -0.372 0.000 1.043 126 D HN 0.980 nan 8.370 nan 0.000 0.506 127 G N 1.418 110.148 108.800 -0.116 0.000 2.361 127 G HA2 0.444 4.404 3.960 -0.001 0.000 0.305 127 G HA3 0.444 4.404 3.960 -0.001 0.000 0.305 127 G C -0.814 174.153 174.900 0.112 0.000 1.367 127 G CA -0.397 44.721 45.100 0.030 0.000 0.951 127 G HN 0.536 nan 8.290 nan 0.000 0.615 128 A N -0.419 122.421 122.820 0.033 0.000 2.466 128 A HA 0.589 4.908 4.320 -0.001 0.000 0.238 128 A C 1.842 179.321 177.584 -0.174 0.000 1.074 128 A CA 1.446 53.451 52.037 -0.053 0.000 0.774 128 A CB 0.293 19.229 19.000 -0.107 0.000 1.015 128 A HN 2.345 nan 8.150 nan 0.000 0.498 129 G N 0.363 108.915 108.800 -0.412 0.000 2.402 129 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 129 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 129 G C 1.804 176.049 174.900 -1.092 0.000 1.162 129 G CA 1.440 46.069 45.100 -0.785 0.000 0.777 129 G HN 1.325 nan 8.290 nan 0.000 0.539 130 S N 0.834 115.760 115.700 -1.290 0.000 2.447 130 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 130 S C 2.178 176.557 174.600 -0.369 0.000 1.006 130 S CA 1.662 59.411 58.200 -0.753 0.000 0.957 130 S CB -0.319 62.553 63.200 -0.546 0.000 0.773 130 S HN 0.580 nan 8.310 nan 0.000 0.507 131 S N 0.352 115.855 115.700 -0.327 0.000 2.556 131 S HA 0.300 4.769 4.470 -0.001 0.000 0.216 131 S C 0.371 174.811 174.600 -0.266 0.000 0.970 131 S CA -0.441 57.638 58.200 -0.203 0.000 0.912 131 S CB -0.420 62.704 63.200 -0.126 0.000 0.790 131 S HN 0.247 nan 8.310 nan 0.000 0.504 132 V N 3.474 123.110 119.914 -0.462 0.000 2.644 132 V HA 0.026 4.146 4.120 -0.001 0.000 0.305 132 V C 0.413 176.008 176.094 -0.832 0.000 1.053 132 V CA 0.438 62.149 62.300 -0.982 0.000 1.186 132 V CB 0.160 31.307 31.823 -1.127 0.000 0.895 132 V HN 0.481 nan 8.190 nan 0.000 0.490 133 D N 4.551 124.473 120.400 -0.796 0.000 2.441 133 D HA 0.162 4.802 4.640 -0.001 0.000 0.221 133 D C 0.562 176.555 176.300 -0.512 0.000 1.156 133 D CA -0.197 53.575 54.000 -0.381 0.000 0.896 133 D CB 0.337 41.071 40.800 -0.109 0.000 1.028 133 D HN 0.501 nan 8.370 nan 0.000 0.509 134 Y N 1.436 121.586 120.300 -0.249 0.000 2.483 134 Y HA -0.187 4.362 4.550 -0.001 0.000 0.291 134 Y C 2.638 178.473 175.900 -0.109 0.000 1.143 134 Y CA 1.060 59.070 58.100 -0.150 0.000 1.289 134 Y CB -0.205 38.309 38.460 0.089 0.000 0.983 134 Y HN 0.435 nan 8.280 nan 0.000 0.556 135 S N -0.309 115.403 115.700 0.020 0.000 2.442 135 S HA -0.165 4.304 4.470 -0.001 0.000 0.236 135 S C 2.050 176.636 174.600 -0.024 0.000 1.007 135 S CA 1.063 59.290 58.200 0.045 0.000 0.965 135 S CB -1.257 61.966 63.200 0.037 0.000 0.773 135 S HN 0.391 nan 8.310 nan 0.000 0.504 136 V N -1.843 117.947 119.914 -0.206 0.000 2.626 136 V HA 0.215 4.334 4.120 -0.001 0.000 0.252 136 V C 0.785 176.834 176.094 -0.074 0.000 1.067 136 V CA 0.162 62.350 62.300 -0.187 0.000 1.081 136 V CB -1.467 30.204 31.823 -0.254 0.000 0.686 136 V HN 0.313 nan 8.190 nan 0.000 0.468 137 F N 2.017 122.078 119.950 0.185 0.000 2.429 137 F HA 0.608 5.134 4.527 -0.001 0.000 0.348 137 F C 0.615 176.504 175.800 0.148 0.000 1.109 137 F CA -0.749 57.379 58.000 0.213 0.000 1.232 137 F CB 0.342 39.552 39.000 0.351 0.000 1.157 137 F HN 0.063 nan 8.300 nan 0.000 0.564 138 K N 4.001 124.567 120.400 0.278 0.000 2.507 138 K HA 0.315 4.634 4.320 -0.001 0.000 0.252 138 K C -2.319 174.209 176.600 -0.120 0.000 0.943 138 K CA -1.546 54.795 56.287 0.089 0.000 0.808 138 K CB 2.402 34.980 32.500 0.129 0.000 1.142 138 K HN 0.168 nan 8.250 nan 0.000 0.426 139 P HA 0.084 nan 4.420 nan 0.000 0.261 139 P C -0.334 176.685 177.300 -0.468 0.000 1.268 139 P CA 0.043 62.908 63.100 -0.392 0.000 0.833 139 P CB 0.156 31.559 31.700 -0.495 0.000 1.231 140 F N 1.340 121.163 119.950 -0.211 0.000 2.668 140 F HA 0.094 4.620 4.527 -0.001 0.000 0.365 140 F C 1.354 177.398 175.800 0.406 0.000 1.165 140 F CA -0.049 57.768 58.000 -0.304 0.000 1.344 140 F CB -1.101 37.668 39.000 -0.385 0.000 1.658 140 F HN -0.044 nan 8.300 nan 0.000 0.620 141 S N -1.351 114.635 115.700 0.477 0.000 2.803 141 S HA 0.193 4.662 4.470 -0.001 0.000 0.228 141 S C 0.478 175.372 174.600 0.491 0.000 0.953 141 S CA 0.012 58.495 58.200 0.471 0.000 0.983 141 S CB -0.666 62.693 63.200 0.264 0.000 0.784 141 S HN 0.345 nan 8.310 nan 0.000 0.498 142 S N -0.740 115.342 115.700 0.637 0.000 2.550 142 S HA 0.405 4.874 4.470 -0.001 0.000 0.270 142 S C 0.265 174.954 174.600 0.148 0.000 1.145 142 S CA -0.837 57.551 58.200 0.313 0.000 0.852 142 S CB 1.468 64.729 63.200 0.101 0.000 1.119 142 S HN 0.115 nan 8.310 nan 0.000 0.465 143 Q N 0.494 120.074 119.800 -0.366 0.000 2.248 143 Q HA -0.222 4.117 4.340 -0.001 0.000 0.208 143 Q C 1.182 177.059 176.000 -0.204 0.000 0.984 143 Q CA 2.195 57.534 55.803 -0.774 0.000 0.875 143 Q CB -0.396 27.930 28.738 -0.686 0.000 0.910 143 Q HN 0.850 nan 8.270 nan 0.000 0.433 144 D N -0.598 119.674 120.400 -0.213 0.000 2.242 144 D HA -0.237 4.402 4.640 -0.001 0.000 0.190 144 D C 0.875 177.008 176.300 -0.278 0.000 1.012 144 D CA 1.645 55.462 54.000 -0.306 0.000 0.875 144 D CB -0.208 40.249 40.800 -0.571 0.000 0.922 144 D HN 0.467 nan 8.370 nan 0.000 0.448 145 Y N -1.828 118.463 120.300 -0.015 0.000 2.490 145 Y HA 0.223 4.772 4.550 -0.001 0.000 0.281 145 Y C 0.169 175.726 175.900 -0.572 0.000 1.174 145 Y CA -0.115 57.819 58.100 -0.277 0.000 1.295 145 Y CB -0.060 38.200 38.460 -0.333 0.000 1.062 145 Y HN -0.157 nan 8.280 nan 0.000 0.522 146 F N -1.562 118.339 119.950 -0.080 0.000 2.538 146 F HA 0.383 4.910 4.527 -0.001 0.000 0.325 146 F C 0.326 176.130 175.800 0.007 0.000 1.066 146 F CA -1.677 56.278 58.000 -0.075 0.000 0.946 146 F CB 0.743 39.791 39.000 0.081 0.000 1.199 146 F HN -0.131 nan 8.300 nan 0.000 0.473 147 H N 1.671 120.919 119.070 0.297 0.000 2.815 147 H HA 0.141 4.696 4.556 -0.001 0.000 0.350 147 H C -2.103 173.512 175.328 0.477 0.000 1.080 147 H CA -1.327 54.902 56.048 0.302 0.000 1.433 147 H CB 0.229 30.155 29.762 0.275 0.000 1.432 147 H HN 0.207 nan 8.280 nan 0.000 0.592 148 P HA -0.156 nan 4.420 nan 0.000 0.265 148 P C -0.409 176.943 177.300 0.086 0.000 1.187 148 P CA 0.189 63.424 63.100 0.225 0.000 0.766 148 P CB 0.263 32.016 31.700 0.088 0.000 0.820 149 F N 4.967 124.707 119.950 -0.349 0.000 2.608 149 F HA 0.253 4.779 4.527 -0.001 0.000 0.380 149 F C 0.345 175.695 175.800 -0.750 0.000 1.083 149 F CA 0.218 57.581 58.000 -1.062 0.000 1.266 149 F CB -0.225 38.139 39.000 -1.061 0.000 1.076 149 F HN 0.605 nan 8.300 nan 0.000 0.574 150 c N 4.814 122.341 118.600 -1.788 0.000 3.249 150 c HA 0.576 5.145 4.570 -0.001 0.000 0.358 150 c C -1.542 171.938 174.090 -1.016 0.000 1.187 150 c CA -1.591 53.950 56.329 -1.314 0.000 1.170 150 c CB -0.062 42.104 42.510 -0.572 0.000 1.478 150 c HN 0.728 nan 8.230 nan 0.000 0.508 151 F N 1.376 121.023 119.950 -0.505 0.000 2.440 151 F HA 0.681 5.207 4.527 -0.001 0.000 0.328 151 F C 0.855 176.571 175.800 -0.139 0.000 1.070 151 F CA -1.525 56.341 58.000 -0.224 0.000 1.011 151 F CB 1.042 39.957 39.000 -0.141 0.000 1.226 151 F HN 0.550 nan 8.300 nan 0.000 0.491 152 I N 3.230 123.890 120.570 0.151 0.000 2.471 152 I HA -0.009 4.160 4.170 -0.001 0.000 0.294 152 I C 0.988 177.123 176.117 0.029 0.000 1.123 152 I CA 0.142 61.431 61.300 -0.018 0.000 1.336 152 I CB 0.382 38.264 38.000 -0.196 0.000 1.430 152 I HN 0.555 nan 8.210 nan 0.000 0.533 153 Q N 3.532 123.341 119.800 0.015 0.000 2.204 153 Q HA 0.046 4.385 4.340 -0.001 0.000 0.198 153 Q C 0.440 176.478 176.000 0.064 0.000 0.946 153 Q CA 0.853 56.684 55.803 0.048 0.000 0.859 153 Q CB 0.041 28.794 28.738 0.025 0.000 0.946 153 Q HN 0.586 nan 8.270 nan 0.000 0.474 154 N N -0.441 118.273 118.700 0.023 0.000 2.540 154 N HA 0.076 4.815 4.740 -0.001 0.000 0.275 154 N C -0.761 174.769 175.510 0.032 0.000 1.053 154 N CA -0.218 52.864 53.050 0.053 0.000 0.876 154 N CB 0.404 38.906 38.487 0.025 0.000 1.284 154 N HN -0.117 nan 8.380 nan 0.000 0.518 155 Y N 1.066 121.367 120.300 0.003 0.000 2.680 155 Y HA 0.055 4.604 4.550 -0.001 0.000 0.303 155 Y C 1.386 177.278 175.900 -0.013 0.000 1.166 155 Y CA 0.713 58.809 58.100 -0.005 0.000 1.344 155 Y CB 0.455 38.894 38.460 -0.035 0.000 1.002 155 Y HN 0.546 nan 8.280 nan 0.000 0.537 156 E N -0.658 119.603 120.200 0.102 0.000 2.447 156 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 156 E C 0.024 176.657 176.600 0.055 0.000 1.028 156 E CA 0.342 56.784 56.400 0.069 0.000 0.876 156 E CB 0.046 29.776 29.700 0.049 0.000 0.885 156 E HN 0.282 nan 8.360 nan 0.000 0.500 157 D N 1.279 121.695 120.400 0.028 0.000 2.468 157 D HA 0.004 4.644 4.640 -0.001 0.000 0.218 157 D C 1.012 177.314 176.300 0.004 0.000 1.155 157 D CA -0.182 53.824 54.000 0.009 0.000 0.924 157 D CB 0.993 41.785 40.800 -0.013 0.000 1.029 157 D HN -0.215 nan 8.370 nan 0.000 0.515 158 Q N 1.881 121.707 119.800 0.043 0.000 2.234 158 Q HA -0.120 4.219 4.340 -0.001 0.000 0.206 158 Q C 1.335 177.347 176.000 0.020 0.000 0.980 158 Q CA 1.681 57.521 55.803 0.062 0.000 0.869 158 Q CB -0.017 28.782 28.738 0.102 0.000 0.912 158 Q HN 0.399 nan 8.270 nan 0.000 0.436 159 T N 0.050 114.603 114.554 -0.001 0.000 2.821 159 T HA -0.119 4.230 4.350 -0.001 0.000 0.267 159 T C 1.521 176.188 174.700 -0.056 0.000 1.046 159 T CA 1.266 63.351 62.100 -0.025 0.000 1.139 159 T CB -0.095 68.756 68.868 -0.028 0.000 0.871 159 T HN 0.409 nan 8.240 nan 0.000 0.454 160 Q N 0.266 120.029 119.800 -0.062 0.000 2.084 160 Q HA -0.074 4.266 4.340 -0.001 0.000 0.202 160 Q C 2.546 178.494 176.000 -0.086 0.000 0.978 160 Q CA 1.105 56.857 55.803 -0.085 0.000 0.844 160 Q CB -0.336 28.345 28.738 -0.094 0.000 0.898 160 Q HN 0.332 nan 8.270 nan 0.000 0.426 161 V N 1.111 120.964 119.914 -0.102 0.000 2.392 161 V HA -0.273 3.846 4.120 -0.001 0.000 0.249 161 V C 1.647 177.799 176.094 0.097 0.000 1.059 161 V CA 2.050 64.299 62.300 -0.085 0.000 1.051 161 V CB -0.346 31.400 31.823 -0.128 0.000 0.658 161 V HN 0.369 nan 8.190 nan 0.000 0.455 162 E N -0.885 119.342 120.200 0.045 0.000 2.216 162 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 162 E C 1.607 178.206 176.600 -0.001 0.000 0.973 162 E CA 0.820 57.264 56.400 0.074 0.000 0.851 162 E CB 0.040 29.775 29.700 0.058 0.000 0.804 162 E HN 0.533 nan 8.360 nan 0.000 0.477 163 D N -0.511 119.803 120.400 -0.143 0.000 2.355 163 D HA 0.049 4.689 4.640 -0.001 0.000 0.206 163 D C 0.308 176.483 176.300 -0.208 0.000 1.010 163 D CA 0.238 53.948 54.000 -0.483 0.000 0.875 163 D CB 0.190 40.718 40.800 -0.454 0.000 0.966 163 D HN 0.073 nan 8.370 nan 0.000 0.512 164 c N 0.643 119.233 118.600 -0.017 0.000 2.347 164 c HA 0.345 4.914 4.570 -0.001 0.000 0.366 164 c C 0.055 174.336 174.090 0.320 0.000 1.241 164 c CA -0.918 55.477 56.329 0.110 0.000 2.360 164 c CB 0.245 42.750 42.510 -0.009 0.000 2.290 164 c HN 0.222 nan 8.230 nan 0.000 0.587 165 W N 1.513 122.813 121.300 0.000 0.000 2.315 165 W HA 0.598 5.257 4.660 -0.001 0.000 0.316 165 W C 0.173 176.771 176.519 0.131 0.000 1.211 165 W CA -0.593 56.811 57.345 0.098 0.000 1.201 165 W CB -0.246 29.311 29.460 0.162 0.000 1.184 165 W HN 0.440 nan 8.180 nan 0.000 0.544 166 L N 2.488 123.818 121.223 0.177 0.000 2.489 166 L HA 0.636 4.975 4.340 -0.001 0.000 0.235 166 L C 1.478 178.448 176.870 0.167 0.000 1.212 166 L CA 0.550 55.416 54.840 0.043 0.000 0.822 166 L CB -0.416 41.499 42.059 -0.239 0.000 1.259 166 L HN 0.724 nan 8.230 nan 0.000 0.504 167 G N 0.404 109.244 108.800 0.067 0.000 2.593 167 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.237 167 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.237 167 G C -1.079 173.877 174.900 0.093 0.000 1.312 167 G CA 0.140 45.304 45.100 0.108 0.000 0.896 167 G HN 0.998 nan 8.290 nan 0.000 0.574 168 D N -2.655 117.848 120.400 0.171 0.000 3.236 168 D HA 0.373 5.013 4.640 -0.001 0.000 0.325 168 D C 0.587 177.090 176.300 0.339 0.000 1.352 168 D CA -0.245 53.788 54.000 0.054 0.000 0.979 168 D CB -0.328 40.450 40.800 -0.037 0.000 1.410 168 D HN 0.275 nan 8.370 nan 0.000 0.588 169 N N -1.298 117.560 118.700 0.264 0.000 2.336 169 N HA 0.112 4.852 4.740 -0.001 0.000 0.189 169 N C 0.516 176.052 175.510 0.044 0.000 1.113 169 N CA 0.396 53.568 53.050 0.204 0.000 0.858 169 N CB 0.456 39.060 38.487 0.196 0.000 0.970 169 N HN 0.406 nan 8.380 nan 0.000 0.471 170 T N -0.465 114.070 114.554 -0.031 0.000 2.980 170 T HA 0.156 4.506 4.350 -0.001 0.000 0.239 170 T C 0.767 175.285 174.700 -0.303 0.000 1.011 170 T CA 0.444 62.396 62.100 -0.246 0.000 1.171 170 T CB 0.643 69.188 68.868 -0.539 0.000 0.873 170 T HN -0.184 nan 8.240 nan 0.000 0.431 171 V N 3.432 123.192 119.914 -0.256 0.000 2.376 171 V HA 0.495 4.614 4.120 -0.001 0.000 0.287 171 V C -0.166 175.884 176.094 -0.074 0.000 1.015 171 V CA -1.010 61.123 62.300 -0.278 0.000 0.834 171 V CB 1.242 32.728 31.823 -0.562 0.000 1.001 171 V HN 0.506 nan 8.190 nan 0.000 0.428 172 S N 5.714 121.440 115.700 0.044 0.000 2.616 172 S HA 0.777 5.246 4.470 -0.001 0.000 0.277 172 S C -0.501 174.172 174.600 0.123 0.000 1.234 172 S CA -0.766 57.579 58.200 0.242 0.000 1.028 172 S CB 1.528 64.980 63.200 0.419 0.000 0.988 172 S HN 0.512 nan 8.310 nan 0.000 0.522 173 L N 1.464 122.766 121.223 0.131 0.000 2.502 173 L HA 0.382 4.721 4.340 -0.001 0.000 0.247 173 L C -2.735 173.893 176.870 -0.404 0.000 1.180 173 L CA -2.065 52.713 54.840 -0.103 0.000 0.956 173 L CB 0.999 42.890 42.059 -0.281 0.000 1.282 173 L HN 0.407 nan 8.230 nan 0.000 0.470 174 P HA -0.072 nan 4.420 nan 0.000 0.258 174 P C -0.561 176.324 177.300 -0.693 0.000 1.187 174 P CA 0.318 62.514 63.100 -1.506 0.000 0.767 174 P CB 0.404 31.464 31.700 -1.067 0.000 0.770 175 D N 3.501 123.324 120.400 -0.963 0.000 2.347 175 D HA 0.187 4.827 4.640 -0.001 0.000 0.235 175 D C -0.126 176.105 176.300 -0.115 0.000 1.149 175 D CA -0.291 53.521 54.000 -0.313 0.000 0.850 175 D CB 0.126 40.813 40.800 -0.189 0.000 1.061 175 D HN 0.183 nan 8.370 nan 0.000 0.487 176 L N 3.081 124.110 121.223 -0.324 0.000 2.490 176 L HA 0.070 4.409 4.340 -0.001 0.000 0.274 176 L C 0.794 177.258 176.870 -0.677 0.000 1.201 176 L CA 0.142 54.560 54.840 -0.704 0.000 0.869 176 L CB 0.412 42.014 42.059 -0.762 0.000 1.123 176 L HN 0.454 nan 8.230 nan 0.000 0.484 177 D N 1.702 121.630 120.400 -0.786 0.000 2.508 177 D HA -0.005 4.634 4.640 -0.001 0.000 0.224 177 D C 1.139 177.156 176.300 -0.471 0.000 1.171 177 D CA -0.130 53.325 54.000 -0.909 0.000 1.006 177 D CB 0.549 41.001 40.800 -0.580 0.000 1.073 177 D HN 0.599 nan 8.370 nan 0.000 0.513 178 T N -0.942 113.369 114.554 -0.405 0.000 3.227 178 T HA -0.099 4.251 4.350 -0.001 0.000 0.257 178 T C 1.544 176.204 174.700 -0.067 0.000 1.162 178 T CA 0.787 62.708 62.100 -0.298 0.000 1.051 178 T CB -0.318 68.120 68.868 -0.717 0.000 0.953 178 T HN 0.312 nan 8.240 nan 0.000 0.535 179 T N -1.746 112.779 114.554 -0.048 0.000 3.057 179 T HA 0.235 4.584 4.350 -0.001 0.000 0.254 179 T C 0.685 175.390 174.700 0.008 0.000 1.094 179 T CA -0.353 61.761 62.100 0.023 0.000 1.088 179 T CB -0.144 68.757 68.868 0.056 0.000 0.934 179 T HN 0.308 nan 8.240 nan 0.000 0.497 180 K N 2.013 122.394 120.400 -0.030 0.000 2.350 180 K HA 0.155 4.474 4.320 -0.001 0.000 0.279 180 K C 0.234 176.830 176.600 -0.006 0.000 1.027 180 K CA -0.372 55.902 56.287 -0.020 0.000 0.969 180 K CB 0.882 33.359 32.500 -0.038 0.000 0.954 180 K HN 0.053 nan 8.250 nan 0.000 0.474 181 D N 1.615 122.015 120.400 0.000 0.000 2.144 181 D HA -0.148 4.492 4.640 -0.001 0.000 0.199 181 D C 1.632 177.927 176.300 -0.007 0.000 0.984 181 D CA 0.928 54.924 54.000 -0.008 0.000 0.834 181 D CB 0.159 40.962 40.800 0.005 0.000 0.955 181 D HN 0.304 nan 8.370 nan 0.000 0.465 182 V N 0.348 120.280 119.914 0.031 0.000 2.515 182 V HA -0.170 3.950 4.120 -0.001 0.000 0.250 182 V C 2.215 178.351 176.094 0.071 0.000 1.058 182 V CA 1.178 63.522 62.300 0.072 0.000 1.064 182 V CB -0.045 31.869 31.823 0.151 0.000 0.675 182 V HN -0.013 nan 8.190 nan 0.000 0.461 183 V N 0.090 120.036 119.914 0.053 0.000 2.379 183 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 183 V C 2.530 178.647 176.094 0.039 0.000 1.044 183 V CA 2.313 64.617 62.300 0.006 0.000 1.036 183 V CB -0.690 31.054 31.823 -0.131 0.000 0.664 183 V HN 0.528 nan 8.190 nan 0.000 0.453 184 K N 0.398 120.778 120.400 -0.034 0.000 2.009 184 K HA -0.203 4.117 4.320 -0.001 0.000 0.210 184 K C 2.053 178.325 176.600 -0.545 0.000 1.049 184 K CA 1.854 57.916 56.287 -0.376 0.000 0.929 184 K CB -0.360 31.836 32.500 -0.507 0.000 0.714 184 K HN 0.414 nan 8.250 nan 0.000 0.440 185 N N 0.971 119.529 118.700 -0.238 0.000 2.188 185 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 185 N C 1.797 177.334 175.510 0.046 0.000 1.018 185 N CA 1.114 54.120 53.050 -0.074 0.000 0.858 185 N CB -0.201 38.284 38.487 -0.003 0.000 0.989 185 N HN 0.207 nan 8.380 nan 0.000 0.426 186 E N 0.314 120.531 120.200 0.028 0.000 2.031 186 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 186 E C 1.883 178.600 176.600 0.194 0.000 0.994 186 E CA 1.364 57.779 56.400 0.025 0.000 0.800 186 E CB -0.369 29.229 29.700 -0.171 0.000 0.752 186 E HN 0.427 nan 8.360 nan 0.000 0.447 187 W N -0.774 120.665 121.300 0.231 0.000 2.358 187 W HA -0.232 4.427 4.660 -0.001 0.000 0.303 187 W C 2.025 178.803 176.519 0.431 0.000 1.208 187 W CA 0.677 58.250 57.345 0.381 0.000 1.274 187 W CB -0.257 29.512 29.460 0.515 0.000 1.138 187 W HN 0.191 nan 8.180 nan 0.000 0.515 188 Y N 0.579 121.097 120.300 0.365 0.000 2.181 188 Y HA -0.239 4.310 4.550 -0.001 0.000 0.288 188 Y C 2.123 178.096 175.900 0.121 0.000 1.146 188 Y CA 0.977 59.143 58.100 0.110 0.000 1.164 188 Y CB -1.532 36.946 38.460 0.030 0.000 0.982 188 Y HN -0.028 nan 8.280 nan 0.000 0.515 189 D N -1.372 119.233 120.400 0.343 0.000 2.117 189 D HA -0.199 4.440 4.640 -0.001 0.000 0.197 189 D C 2.026 178.502 176.300 0.293 0.000 0.987 189 D CA 1.065 55.213 54.000 0.248 0.000 0.829 189 D CB -0.875 40.047 40.800 0.204 0.000 0.961 189 D HN 0.459 nan 8.370 nan 0.000 0.460 190 W N 1.381 122.814 121.300 0.221 0.000 2.335 190 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 190 W C 2.220 178.841 176.519 0.170 0.000 1.213 190 W CA 1.500 58.975 57.345 0.216 0.000 1.274 190 W CB -0.502 29.075 29.460 0.194 0.000 1.148 190 W HN -0.134 nan 8.180 nan 0.000 0.498 191 V N 1.280 121.364 119.914 0.283 0.000 2.427 191 V HA -0.087 4.032 4.120 -0.001 0.000 0.248 191 V C 2.164 178.117 176.094 -0.234 0.000 1.051 191 V CA 2.474 64.694 62.300 -0.135 0.000 1.048 191 V CB -1.199 30.508 31.823 -0.194 0.000 0.666 191 V HN 0.329 nan 8.190 nan 0.000 0.456 192 G N -0.864 107.865 108.800 -0.118 0.000 2.418 192 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 192 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 192 G C 1.776 176.605 174.900 -0.119 0.000 1.158 192 G CA 1.119 46.156 45.100 -0.105 0.000 0.771 192 G HN 0.556 nan 8.290 nan 0.000 0.545 193 S N 0.347 115.979 115.700 -0.114 0.000 2.368 193 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 193 S C 2.168 176.644 174.600 -0.208 0.000 1.029 193 S CA 1.059 59.188 58.200 -0.119 0.000 0.988 193 S CB -0.299 62.887 63.200 -0.024 0.000 0.838 193 S HN 0.258 nan 8.310 nan 0.000 0.462 194 L N 1.879 122.875 121.223 -0.379 0.000 2.012 194 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 194 L C 2.232 179.036 176.870 -0.110 0.000 1.073 194 L CA 1.581 56.225 54.840 -0.327 0.000 0.748 194 L CB -0.596 41.010 42.059 -0.755 0.000 0.891 194 L HN 0.122 nan 8.230 nan 0.000 0.431 195 V N -0.466 119.357 119.914 -0.151 0.000 2.407 195 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 195 V C 2.733 178.797 176.094 -0.049 0.000 1.055 195 V CA 1.758 64.019 62.300 -0.065 0.000 1.049 195 V CB -0.777 30.999 31.823 -0.077 0.000 0.662 195 V HN 0.772 nan 8.190 nan 0.000 0.455 196 S N 0.526 116.170 115.700 -0.093 0.000 2.357 196 S HA -0.181 4.289 4.470 -0.001 0.000 0.221 196 S C 1.829 176.341 174.600 -0.147 0.000 1.031 196 S CA 1.388 59.532 58.200 -0.093 0.000 0.982 196 S CB -0.674 62.473 63.200 -0.089 0.000 0.853 196 S HN 0.536 nan 8.310 nan 0.000 0.458 197 N N 1.350 119.894 118.700 -0.260 0.000 2.137 197 N HA -0.078 4.661 4.740 -0.001 0.000 0.190 197 N C 0.549 175.695 175.510 -0.607 0.000 1.017 197 N CA 1.561 54.305 53.050 -0.509 0.000 0.859 197 N CB -0.508 37.497 38.487 -0.803 0.000 1.002 197 N HN 0.670 nan 8.380 nan 0.000 0.428 198 Y N -0.654 119.612 120.300 -0.057 0.000 2.612 198 Y HA 0.339 4.889 4.550 -0.001 0.000 0.250 198 Y C 0.382 176.277 175.900 -0.007 0.000 1.175 198 Y CA -0.573 57.493 58.100 -0.057 0.000 1.205 198 Y CB -0.083 38.310 38.460 -0.112 0.000 1.201 198 Y HN -0.226 nan 8.280 nan 0.000 0.532 199 S N 1.149 116.910 115.700 0.103 0.000 3.628 199 S HA -0.204 4.265 4.470 -0.001 0.000 0.373 199 S C 0.005 174.733 174.600 0.213 0.000 0.968 199 S CA 0.253 58.544 58.200 0.151 0.000 1.215 199 S CB -1.981 61.365 63.200 0.243 0.000 0.912 199 S HN 0.392 nan 8.310 nan 0.000 0.495 200 I N 1.568 122.219 120.570 0.135 0.000 2.395 200 I HA 0.142 4.312 4.170 -0.001 0.000 0.289 200 I C 1.287 177.482 176.117 0.131 0.000 1.023 200 I CA -0.317 61.062 61.300 0.133 0.000 1.350 200 I CB 0.755 38.803 38.000 0.080 0.000 1.409 200 I HN 0.216 nan 8.210 nan 0.000 0.507 201 D N 4.713 125.229 120.400 0.195 0.000 2.305 201 D HA 0.121 4.761 4.640 -0.001 0.000 0.206 201 D C 0.757 177.285 176.300 0.381 0.000 0.974 201 D CA 0.497 54.579 54.000 0.137 0.000 0.871 201 D CB 0.788 41.497 40.800 -0.152 0.000 0.947 201 D HN 0.728 nan 8.370 nan 0.000 0.516 202 G N -0.000 108.988 108.800 0.313 0.000 2.646 202 G HA2 0.550 4.509 3.960 -0.001 0.000 0.291 202 G HA3 0.550 4.509 3.960 -0.001 0.000 0.291 202 G C -1.776 173.042 174.900 -0.137 0.000 1.445 202 G CA -0.689 44.418 45.100 0.012 0.000 0.814 202 G HN -0.008 nan 8.290 nan 0.000 0.495 203 L N 0.824 121.870 121.223 -0.296 0.000 2.365 203 L HA 0.648 4.987 4.340 -0.001 0.000 0.273 203 L C -0.078 176.508 176.870 -0.473 0.000 1.000 203 L CA -1.133 53.545 54.840 -0.271 0.000 0.819 203 L CB 2.330 44.313 42.059 -0.128 0.000 1.284 203 L HN 0.416 nan 8.230 nan 0.000 0.418 204 R N 4.123 124.307 120.500 -0.527 0.000 2.265 204 R HA 0.512 4.851 4.340 -0.001 0.000 0.328 204 R C -1.157 174.868 176.300 -0.458 0.000 0.969 204 R CA -0.458 55.200 56.100 -0.737 0.000 0.832 204 R CB 0.768 30.210 30.300 -1.431 0.000 1.139 204 R HN 0.616 nan 8.270 nan 0.000 0.457 205 I N 3.855 124.166 120.570 -0.431 0.000 2.304 205 I HA 0.104 4.273 4.170 -0.001 0.000 0.291 205 I C 0.517 176.450 176.117 -0.306 0.000 1.018 205 I CA -0.654 60.445 61.300 -0.336 0.000 1.260 205 I CB 1.290 39.007 38.000 -0.473 0.000 1.390 205 I HN 0.529 nan 8.210 nan 0.000 0.475 206 D N 4.272 124.588 120.400 -0.140 0.000 2.357 206 D HA 0.060 4.699 4.640 -0.001 0.000 0.242 206 D C 0.732 176.990 176.300 -0.071 0.000 1.153 206 D CA 0.412 54.384 54.000 -0.047 0.000 0.918 206 D CB 0.753 41.636 40.800 0.139 0.000 1.181 206 D HN 0.793 nan 8.370 nan 0.000 0.435 207 T N -0.707 113.840 114.554 -0.012 0.000 3.760 207 T HA -0.224 4.125 4.350 -0.001 0.000 0.366 207 T C 1.270 176.018 174.700 0.081 0.000 0.761 207 T CA 0.599 62.770 62.100 0.118 0.000 1.887 207 T CB -2.324 66.690 68.868 0.243 0.000 1.811 207 T HN 0.227 nan 8.240 nan 0.000 0.749 208 V N 1.493 121.308 119.914 -0.164 0.000 2.332 208 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 208 V C 2.769 178.801 176.094 -0.104 0.000 1.055 208 V CA 2.454 64.567 62.300 -0.311 0.000 1.038 208 V CB -0.631 30.733 31.823 -0.766 0.000 0.651 208 V HN 0.993 nan 8.190 nan 0.000 0.450 209 K N -0.765 119.459 120.400 -0.292 0.000 2.360 209 K HA -0.185 4.134 4.320 -0.001 0.000 0.201 209 K C 1.618 178.172 176.600 -0.077 0.000 1.046 209 K CA 1.629 57.787 56.287 -0.216 0.000 0.945 209 K CB -0.369 32.011 32.500 -0.200 0.000 0.750 209 K HN 0.532 nan 8.250 nan 0.000 0.464 210 H N 0.427 119.573 119.070 0.126 0.000 2.539 210 H HA 0.181 4.736 4.556 -0.001 0.000 0.267 210 H C -0.288 175.110 175.328 0.117 0.000 0.982 210 H CA 0.130 56.248 56.048 0.117 0.000 1.146 210 H CB 0.443 30.264 29.762 0.099 0.000 1.382 210 H HN -0.031 nan 8.280 nan 0.000 0.577 211 V N 3.219 123.295 119.914 0.269 0.000 2.540 211 V HA 0.064 4.184 4.120 -0.001 0.000 0.302 211 V C 0.368 176.575 176.094 0.187 0.000 1.035 211 V CA -1.108 61.259 62.300 0.112 0.000 0.873 211 V CB 2.435 34.193 31.823 -0.110 0.000 0.992 211 V HN 0.268 nan 8.190 nan 0.000 0.428 212 Q N 4.889 124.723 119.800 0.056 0.000 2.386 212 Q HA 0.088 4.428 4.340 -0.001 0.000 0.282 212 Q C 0.531 176.617 176.000 0.144 0.000 1.050 212 Q CA 0.354 56.217 55.803 0.100 0.000 0.918 212 Q CB 0.729 29.502 28.738 0.058 0.000 1.266 212 Q HN 0.726 nan 8.270 nan 0.000 0.423 213 K N 1.815 122.318 120.400 0.173 0.000 2.147 213 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 213 K C 1.172 177.892 176.600 0.200 0.000 1.049 213 K CA 1.704 58.138 56.287 0.245 0.000 0.936 213 K CB -0.051 32.473 32.500 0.039 0.000 0.722 213 K HN 0.781 nan 8.250 nan 0.000 0.446 214 D N 0.124 120.593 120.400 0.116 0.000 2.378 214 D HA -0.170 4.469 4.640 -0.001 0.000 0.227 214 D C 1.452 177.820 176.300 0.115 0.000 1.012 214 D CA 0.387 54.447 54.000 0.100 0.000 0.905 214 D CB -0.301 40.542 40.800 0.071 0.000 0.895 214 D HN 0.209 nan 8.370 nan 0.000 0.532 215 F N -0.563 119.316 119.950 -0.119 0.000 2.335 215 F HA 0.123 4.650 4.527 -0.001 0.000 0.296 215 F C 1.348 177.057 175.800 -0.152 0.000 1.091 215 F CA 0.486 58.353 58.000 -0.221 0.000 1.399 215 F CB -0.032 38.613 39.000 -0.591 0.000 1.067 215 F HN -0.092 nan 8.300 nan 0.000 0.520 216 W N 1.072 122.515 121.300 0.239 0.000 2.418 216 W HA -0.002 4.657 4.660 -0.001 0.000 0.292 216 W C -0.572 175.955 176.519 0.014 0.000 1.213 216 W CA 0.565 57.991 57.345 0.136 0.000 1.283 216 W CB -1.929 27.620 29.460 0.148 0.000 1.119 216 W HN 0.004 nan 8.180 nan 0.000 0.542 217 P HA -0.135 nan 4.420 nan 0.000 0.215 217 P C 1.819 179.071 177.300 -0.081 0.000 1.153 217 P CA 2.483 65.621 63.100 0.064 0.000 0.853 217 P CB -0.450 31.276 31.700 0.044 0.000 0.788 218 G N -1.574 107.104 108.800 -0.202 0.000 2.422 218 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 218 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 218 G C 1.585 175.835 174.900 -1.083 0.000 1.146 218 G CA 0.522 45.252 45.100 -0.616 0.000 0.769 218 G HN 0.226 nan 8.290 nan 0.000 0.547 219 Y N 1.440 121.237 120.300 -0.838 0.000 2.163 219 Y HA -0.090 4.460 4.550 -0.001 0.000 0.288 219 Y C 2.739 178.524 175.900 -0.191 0.000 1.136 219 Y CA 1.726 59.543 58.100 -0.472 0.000 1.147 219 Y CB -0.205 38.202 38.460 -0.088 0.000 0.987 219 Y HN 0.204 nan 8.280 nan 0.000 0.509 220 N N 1.066 119.847 118.700 0.135 0.000 2.104 220 N HA -0.244 4.496 4.740 -0.001 0.000 0.190 220 N C 1.907 177.370 175.510 -0.079 0.000 1.024 220 N CA 1.787 54.872 53.050 0.058 0.000 0.853 220 N CB -0.379 38.148 38.487 0.066 0.000 1.008 220 N HN 0.486 nan 8.380 nan 0.000 0.424 221 K N 0.159 120.474 120.400 -0.141 0.000 2.025 221 K HA -0.029 4.291 4.320 -0.001 0.000 0.207 221 K C 1.929 178.423 176.600 -0.178 0.000 1.049 221 K CA 1.254 57.455 56.287 -0.145 0.000 0.933 221 K CB -0.224 32.183 32.500 -0.154 0.000 0.714 221 K HN 0.141 nan 8.250 nan 0.000 0.438 222 A N 1.157 123.803 122.820 -0.290 0.000 1.908 222 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 222 A C 2.337 179.806 177.584 -0.193 0.000 1.181 222 A CA 1.931 53.820 52.037 -0.246 0.000 0.627 222 A CB -0.843 17.968 19.000 -0.315 0.000 0.818 222 A HN 0.509 nan 8.150 nan 0.000 0.445 223 A N -1.622 121.060 122.820 -0.229 0.000 1.933 223 A HA 0.265 4.585 4.320 -0.001 0.000 0.218 223 A C 2.251 179.774 177.584 -0.102 0.000 1.175 223 A CA 1.851 53.783 52.037 -0.175 0.000 0.628 223 A CB -1.228 17.682 19.000 -0.150 0.000 0.814 223 A HN 2.026 nan 8.150 nan 0.000 0.444 224 G N -1.905 106.846 108.800 -0.082 0.000 2.153 224 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.252 224 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.252 224 G C 0.332 175.224 174.900 -0.014 0.000 0.994 224 G CA 1.031 46.103 45.100 -0.047 0.000 0.698 224 G HN 1.941 nan 8.290 nan 0.000 0.521 225 V N -4.305 115.605 119.914 -0.007 0.000 3.181 225 V HA 0.790 4.909 4.120 -0.001 0.000 0.308 225 V C 0.266 176.387 176.094 0.046 0.000 1.214 225 V CA -2.004 60.324 62.300 0.047 0.000 1.053 225 V CB 1.444 33.298 31.823 0.052 0.000 1.069 225 V HN 1.009 nan 8.190 nan 0.000 0.441 226 Y N 1.064 121.333 120.300 -0.052 0.000 2.721 226 Y HA 0.397 4.947 4.550 -0.001 0.000 0.329 226 Y C 0.021 175.741 175.900 -0.298 0.000 1.211 226 Y CA -0.010 57.976 58.100 -0.189 0.000 1.512 226 Y CB 0.003 38.252 38.460 -0.353 0.000 1.249 226 Y HN 0.867 nan 8.280 nan 0.000 0.549 227 C N 8.660 127.508 119.300 -0.754 0.000 2.379 227 C HA 0.564 5.023 4.460 -0.001 0.000 0.323 227 C C -0.118 174.250 174.990 -1.037 0.000 1.262 227 C CA -1.384 57.194 59.018 -0.734 0.000 1.581 227 C CB 0.131 27.676 27.740 -0.326 0.000 2.221 227 C HN 0.877 nan 8.230 nan 0.000 0.497 228 I N 2.751 122.752 120.570 -0.949 0.000 2.436 228 I HA 0.660 4.829 4.170 -0.001 0.000 0.289 228 I C 0.270 176.054 176.117 -0.555 0.000 1.010 228 I CA 0.185 61.053 61.300 -0.719 0.000 1.098 228 I CB 1.265 38.894 38.000 -0.619 0.000 1.266 228 I HN 0.797 nan 8.210 nan 0.000 0.434 229 G N 5.510 114.040 108.800 -0.449 0.000 2.367 229 G HA2 0.226 4.185 3.960 -0.001 0.000 0.314 229 G HA3 0.226 4.185 3.960 -0.001 0.000 0.314 229 G C -0.796 173.898 174.900 -0.344 0.000 1.130 229 G CA -0.466 44.355 45.100 -0.464 0.000 0.864 229 G HN 0.700 nan 8.290 nan 0.000 0.486 230 E N 1.755 121.761 120.200 -0.323 0.000 2.003 230 E HA 0.233 4.583 4.350 -0.001 0.000 0.279 230 E C -0.740 175.738 176.600 -0.203 0.000 1.132 230 E CA -0.228 56.064 56.400 -0.180 0.000 0.888 230 E CB 0.791 30.411 29.700 -0.134 0.000 1.056 230 E HN 0.087 nan 8.360 nan 0.000 0.399 231 V N 6.966 126.795 119.914 -0.142 0.000 2.293 231 V HA 0.092 4.211 4.120 -0.001 0.000 0.275 231 V C 0.033 176.063 176.094 -0.107 0.000 1.021 231 V CA -0.738 61.433 62.300 -0.216 0.000 0.815 231 V CB 1.006 32.631 31.823 -0.330 0.000 1.025 231 V HN 0.570 nan 8.190 nan 0.000 0.448 232 L N 5.000 126.089 121.223 -0.222 0.000 2.384 232 L HA 0.525 4.864 4.340 -0.001 0.000 0.258 232 L C -0.258 176.412 176.870 -0.333 0.000 1.266 232 L CA 0.754 55.308 54.840 -0.476 0.000 1.162 232 L CB -0.827 41.001 42.059 -0.384 0.000 1.375 232 L HN 0.721 nan 8.230 nan 0.000 0.420 233 D N 1.482 121.765 120.400 -0.195 0.000 2.871 233 D HA 0.217 4.857 4.640 -0.001 0.000 0.209 233 D C 0.577 176.966 176.300 0.147 0.000 1.292 233 D CA -0.058 53.888 54.000 -0.090 0.000 0.869 233 D CB 1.989 42.665 40.800 -0.207 0.000 1.663 233 D HN 0.342 nan 8.370 nan 0.000 0.557 234 G N 2.133 111.025 108.800 0.154 0.000 2.920 234 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.208 234 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.208 234 G C 0.537 175.547 174.900 0.184 0.000 1.159 234 G CA 0.075 45.362 45.100 0.311 0.000 0.784 234 G HN 0.404 nan 8.290 nan 0.000 0.535 235 D N 0.434 120.904 120.400 0.117 0.000 2.316 235 D HA 0.247 4.887 4.640 -0.001 0.000 0.245 235 D C -1.381 175.032 176.300 0.188 0.000 1.171 235 D CA -2.469 51.604 54.000 0.122 0.000 0.856 235 D CB 2.025 42.877 40.800 0.086 0.000 1.090 235 D HN -0.039 nan 8.370 nan 0.000 0.476 236 P HA -0.076 nan 4.420 nan 0.000 0.219 236 P C 0.829 178.216 177.300 0.145 0.000 1.146 236 P CA 0.936 64.128 63.100 0.152 0.000 0.808 236 P CB 0.203 31.972 31.700 0.116 0.000 0.779 237 A N -2.137 120.766 122.820 0.139 0.000 2.066 237 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 237 A C 2.103 179.779 177.584 0.154 0.000 1.157 237 A CA 0.941 53.049 52.037 0.118 0.000 0.670 237 A CB -1.413 17.645 19.000 0.096 0.000 0.804 237 A HN 0.190 nan 8.150 nan 0.000 0.453 238 Y N -0.212 120.140 120.300 0.087 0.000 2.343 238 Y HA 0.012 4.561 4.550 -0.001 0.000 0.294 238 Y C 2.456 178.481 175.900 0.208 0.000 1.122 238 Y CA 1.934 60.107 58.100 0.122 0.000 1.173 238 Y CB 0.130 38.654 38.460 0.107 0.000 1.077 238 Y HN 0.241 nan 8.280 nan 0.000 0.542 239 T N -0.899 113.868 114.554 0.356 0.000 2.901 239 T HA -0.093 4.256 4.350 -0.001 0.000 0.252 239 T C 1.954 176.798 174.700 0.241 0.000 1.035 239 T CA 1.275 63.572 62.100 0.329 0.000 1.142 239 T CB -0.780 68.270 68.868 0.303 0.000 0.869 239 T HN 0.398 nan 8.240 nan 0.000 0.442 240 c N 1.955 120.657 118.600 0.168 0.000 2.413 240 c HA -0.023 4.547 4.570 -0.001 0.000 0.277 240 c C -0.209 173.926 174.090 0.075 0.000 1.265 240 c CA 0.610 57.008 56.329 0.115 0.000 1.752 240 c CB -1.453 41.111 42.510 0.088 0.000 1.998 240 c HN 0.465 nan 8.230 nan 0.000 0.489 241 P HA -0.139 nan 4.420 nan 0.000 0.218 241 P C 0.874 178.108 177.300 -0.110 0.000 1.146 241 P CA 1.442 64.501 63.100 -0.069 0.000 0.813 241 P CB -0.289 31.318 31.700 -0.156 0.000 0.778 242 Y N -0.400 119.854 120.300 -0.077 0.000 2.403 242 Y HA -0.161 4.389 4.550 -0.001 0.000 0.291 242 Y C 2.566 178.424 175.900 -0.070 0.000 1.143 242 Y CA 1.228 59.276 58.100 -0.086 0.000 1.257 242 Y CB -0.739 37.643 38.460 -0.129 0.000 0.984 242 Y HN 0.072 nan 8.280 nan 0.000 0.550 243 Q N 0.167 120.013 119.800 0.078 0.000 2.488 243 Q HA -0.132 4.207 4.340 -0.001 0.000 0.211 243 Q C 1.224 177.237 176.000 0.021 0.000 0.967 243 Q CA 0.589 56.416 55.803 0.039 0.000 0.926 243 Q CB 0.040 28.805 28.738 0.045 0.000 0.992 243 Q HN 0.460 nan 8.270 nan 0.000 0.506 244 N N -0.301 118.400 118.700 0.002 0.000 2.457 244 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 244 N C 1.303 176.820 175.510 0.011 0.000 1.050 244 N CA 1.222 54.269 53.050 -0.005 0.000 0.906 244 N CB 0.648 39.116 38.487 -0.032 0.000 0.968 244 N HN 0.285 nan 8.380 nan 0.000 0.445 245 V N -3.119 116.814 119.914 0.031 0.000 3.477 245 V HA 0.466 4.585 4.120 -0.001 0.000 0.297 245 V C 0.372 176.527 176.094 0.102 0.000 1.433 245 V CA -0.197 62.155 62.300 0.087 0.000 1.052 245 V CB 0.055 31.971 31.823 0.156 0.000 0.895 245 V HN 0.001 nan 8.190 nan 0.000 0.438 246 M N 0.014 119.635 119.600 0.036 0.000 2.471 246 M HA 0.434 4.914 4.480 -0.001 0.000 0.284 246 M C -0.504 175.766 176.300 -0.050 0.000 1.203 246 M CA -0.370 54.914 55.300 -0.027 0.000 0.915 246 M CB 2.213 34.738 32.600 -0.125 0.000 1.734 246 M HN 0.008 nan 8.290 nan 0.000 0.485 247 D N 1.884 122.232 120.400 -0.086 0.000 2.104 247 D HA 0.042 4.682 4.640 -0.001 0.000 0.194 247 D C 0.726 177.043 176.300 0.028 0.000 0.994 247 D CA 1.642 55.639 54.000 -0.006 0.000 0.830 247 D CB 0.155 40.983 40.800 0.046 0.000 0.959 247 D HN 0.707 nan 8.370 nan 0.000 0.452 248 G N -1.017 107.708 108.800 -0.125 0.000 2.695 248 G HA2 0.544 4.503 3.960 -0.001 0.000 0.290 248 G HA3 0.544 4.503 3.960 -0.001 0.000 0.290 248 G C -1.108 173.715 174.900 -0.129 0.000 1.410 248 G CA -0.322 44.756 45.100 -0.037 0.000 0.844 248 G HN 0.116 nan 8.290 nan 0.000 0.478 249 V N -1.803 118.084 119.914 -0.046 0.000 3.102 249 V HA 0.779 4.898 4.120 -0.001 0.000 0.312 249 V C -0.110 175.987 176.094 0.004 0.000 1.135 249 V CA -1.274 60.985 62.300 -0.069 0.000 1.022 249 V CB 1.484 33.294 31.823 -0.020 0.000 1.056 249 V HN 0.742 nan 8.190 nan 0.000 0.436 250 L N 1.995 123.221 121.223 0.005 0.000 2.426 250 L HA 0.340 4.679 4.340 -0.001 0.000 0.271 250 L C 0.865 177.889 176.870 0.257 0.000 1.169 250 L CA -0.079 54.825 54.840 0.108 0.000 0.836 250 L CB 0.258 42.312 42.059 -0.009 0.000 1.112 250 L HN 0.765 nan 8.230 nan 0.000 0.465 251 N N 1.565 120.449 118.700 0.307 0.000 3.178 251 N HA -0.019 4.720 4.740 -0.001 0.000 0.300 251 N C 0.689 176.270 175.510 0.118 0.000 1.242 251 N CA 0.204 53.371 53.050 0.195 0.000 1.192 251 N CB -0.082 38.479 38.487 0.123 0.000 1.463 251 N HN 0.440 nan 8.380 nan 0.000 0.539 252 Y N 0.948 121.413 120.300 0.275 0.000 2.274 252 Y HA -0.059 4.491 4.550 -0.001 0.000 0.290 252 Y C -0.634 175.427 175.900 0.267 0.000 1.145 252 Y CA 1.113 59.371 58.100 0.263 0.000 1.203 252 Y CB -0.786 37.862 38.460 0.314 0.000 0.984 252 Y HN 0.420 nan 8.280 nan 0.000 0.533 253 P HA -0.211 nan 4.420 nan 0.000 0.215 253 P C 1.631 179.054 177.300 0.205 0.000 1.157 253 P CA 1.521 64.794 63.100 0.289 0.000 0.868 253 P CB 0.041 31.868 31.700 0.212 0.000 0.788 254 I N -1.957 118.686 120.570 0.122 0.000 2.394 254 I HA -0.217 3.953 4.170 -0.001 0.000 0.251 254 I C 2.251 178.335 176.117 -0.056 0.000 1.136 254 I CA 1.359 62.692 61.300 0.054 0.000 1.425 254 I CB -1.317 36.740 38.000 0.095 0.000 1.079 254 I HN -0.000 nan 8.210 nan 0.000 0.425 255 Y N 1.662 121.786 120.300 -0.294 0.000 2.081 255 Y HA -0.332 4.217 4.550 -0.001 0.000 0.280 255 Y C 2.539 178.230 175.900 -0.347 0.000 1.163 255 Y CA 1.827 59.589 58.100 -0.562 0.000 1.135 255 Y CB -0.938 36.936 38.460 -0.977 0.000 0.970 255 Y HN 0.115 nan 8.280 nan 0.000 0.498 256 Y N 0.012 120.157 120.300 -0.259 0.000 2.114 256 Y HA -0.121 4.428 4.550 -0.001 0.000 0.284 256 Y C -0.232 175.497 175.900 -0.286 0.000 1.143 256 Y CA 1.914 59.815 58.100 -0.332 0.000 1.135 256 Y CB -2.167 36.253 38.460 -0.066 0.000 0.980 256 Y HN 0.205 nan 8.280 nan 0.000 0.499 257 P HA -0.150 nan 4.420 nan 0.000 0.218 257 P C 1.758 178.958 177.300 -0.166 0.000 1.149 257 P CA 1.073 64.122 63.100 -0.086 0.000 0.817 257 P CB -0.037 31.637 31.700 -0.043 0.000 0.785 258 L N -0.478 120.616 121.223 -0.215 0.000 1.994 258 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 258 L C 2.205 179.019 176.870 -0.093 0.000 1.071 258 L CA 1.736 56.444 54.840 -0.221 0.000 0.745 258 L CB -1.632 40.261 42.059 -0.276 0.000 0.892 258 L HN -0.139 nan 8.230 nan 0.000 0.431 259 L N 0.141 121.224 121.223 -0.232 0.000 1.989 259 L HA -0.231 4.108 4.340 -0.001 0.000 0.211 259 L C 2.249 179.042 176.870 -0.128 0.000 1.071 259 L CA 1.942 56.685 54.840 -0.160 0.000 0.749 259 L CB -1.146 40.618 42.059 -0.491 0.000 0.890 259 L HN 0.378 nan 8.230 nan 0.000 0.431 260 N N 0.311 118.894 118.700 -0.195 0.000 2.120 260 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 260 N C 1.872 177.290 175.510 -0.154 0.000 1.024 260 N CA 1.623 54.571 53.050 -0.170 0.000 0.852 260 N CB -0.658 37.745 38.487 -0.140 0.000 1.003 260 N HN 0.555 nan 8.380 nan 0.000 0.424 261 A N 0.115 122.816 122.820 -0.199 0.000 1.917 261 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 261 A C 1.528 178.827 177.584 -0.475 0.000 1.182 261 A CA 1.346 53.148 52.037 -0.391 0.000 0.633 261 A CB -0.678 17.986 19.000 -0.561 0.000 0.819 261 A HN 0.289 nan 8.150 nan 0.000 0.448 262 F N -0.635 119.331 119.950 0.027 0.000 2.678 262 F HA 0.162 4.689 4.527 -0.001 0.000 0.305 262 F C 1.926 177.868 175.800 0.236 0.000 1.090 262 F CA 0.613 58.708 58.000 0.158 0.000 1.272 262 F CB 0.331 39.443 39.000 0.188 0.000 1.060 262 F HN 0.313 nan 8.300 nan 0.000 0.576 263 K N 0.349 120.847 120.400 0.163 0.000 2.366 263 K HA 0.095 4.414 4.320 -0.001 0.000 0.198 263 K C 0.565 177.138 176.600 -0.045 0.000 1.044 263 K CA 0.839 57.062 56.287 -0.106 0.000 0.973 263 K CB 0.052 32.334 32.500 -0.364 0.000 0.767 263 K HN 0.186 nan 8.250 nan 0.000 0.475 264 S N -0.701 114.999 115.700 0.000 0.000 2.651 264 S HA 0.156 4.625 4.470 -0.001 0.000 0.279 264 S C 0.722 175.335 174.600 0.021 0.000 1.148 264 S CA -0.335 57.872 58.200 0.012 0.000 0.837 264 S CB 1.314 64.506 63.200 -0.014 0.000 1.138 264 S HN 0.198 nan 8.310 nan 0.000 0.478 265 T N -1.127 113.443 114.554 0.028 0.000 3.051 265 T HA -0.004 4.346 4.350 -0.001 0.000 0.269 265 T C 1.284 175.978 174.700 -0.010 0.000 1.127 265 T CA 1.158 63.273 62.100 0.024 0.000 1.107 265 T CB -0.767 68.121 68.868 0.032 0.000 0.898 265 T HN 1.082 nan 8.240 nan 0.000 0.517 266 S N 0.069 115.755 115.700 -0.024 0.000 2.601 266 S HA 0.526 4.995 4.470 -0.001 0.000 0.244 266 S C 0.893 175.453 174.600 -0.066 0.000 1.001 266 S CA -0.588 57.587 58.200 -0.041 0.000 0.984 266 S CB -0.030 63.151 63.200 -0.031 0.000 0.842 266 S HN 0.626 nan 8.310 nan 0.000 0.474 267 G N 1.068 109.814 108.800 -0.091 0.000 2.503 267 G HA2 0.408 4.367 3.960 -0.001 0.000 0.257 267 G HA3 0.408 4.367 3.960 -0.001 0.000 0.257 267 G C -0.314 174.495 174.900 -0.151 0.000 1.214 267 G CA -0.555 44.469 45.100 -0.127 0.000 0.839 267 G HN 0.380 nan 8.290 nan 0.000 0.559 268 S N 2.143 117.758 115.700 -0.140 0.000 2.423 268 S HA 0.091 4.561 4.470 -0.001 0.000 0.302 268 S C 1.696 176.199 174.600 -0.162 0.000 1.143 268 S CA -0.677 57.445 58.200 -0.130 0.000 1.080 268 S CB 0.065 63.208 63.200 -0.095 0.000 1.081 268 S HN 0.424 nan 8.310 nan 0.000 0.522 269 M N 3.218 122.716 119.600 -0.171 0.000 2.374 269 M HA -0.039 4.441 4.480 -0.001 0.000 0.264 269 M C 1.058 177.310 176.300 -0.080 0.000 1.067 269 M CA 0.959 56.161 55.300 -0.163 0.000 1.103 269 M CB -1.104 31.400 32.600 -0.161 0.000 1.402 269 M HN 0.564 nan 8.290 nan 0.000 0.444 270 D N 1.077 121.423 120.400 -0.089 0.000 2.084 270 D HA -0.143 4.496 4.640 -0.001 0.000 0.196 270 D C 1.548 177.858 176.300 0.016 0.000 0.985 270 D CA 1.242 55.205 54.000 -0.061 0.000 0.826 270 D CB -0.170 40.579 40.800 -0.085 0.000 0.978 270 D HN 0.229 nan 8.370 nan 0.000 0.456 271 D N -0.053 120.339 120.400 -0.014 0.000 2.133 271 D HA -0.151 4.489 4.640 -0.001 0.000 0.195 271 D C 2.074 178.388 176.300 0.023 0.000 0.997 271 D CA 0.466 54.468 54.000 0.003 0.000 0.840 271 D CB -0.393 40.391 40.800 -0.027 0.000 0.947 271 D HN 0.130 nan 8.370 nan 0.000 0.452 272 L N -0.127 121.090 121.223 -0.010 0.000 1.994 272 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 272 L C 2.244 179.164 176.870 0.082 0.000 1.071 272 L CA 1.608 56.437 54.840 -0.019 0.000 0.745 272 L CB -1.143 40.842 42.059 -0.124 0.000 0.892 272 L HN 0.045 nan 8.230 nan 0.000 0.431 273 Y N 0.780 121.075 120.300 -0.008 0.000 2.114 273 Y HA -0.334 4.216 4.550 -0.001 0.000 0.282 273 Y C 2.470 178.404 175.900 0.056 0.000 1.165 273 Y CA 2.362 60.486 58.100 0.040 0.000 1.148 273 Y CB -0.420 38.044 38.460 0.007 0.000 0.972 273 Y HN 0.394 nan 8.280 nan 0.000 0.504 274 N N -0.189 118.690 118.700 0.298 0.000 2.120 274 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 274 N C 1.850 177.421 175.510 0.101 0.000 1.024 274 N CA 1.705 54.873 53.050 0.197 0.000 0.852 274 N CB -0.612 37.963 38.487 0.147 0.000 1.003 274 N HN 0.434 nan 8.380 nan 0.000 0.424 275 M N 0.968 120.620 119.600 0.086 0.000 2.159 275 M HA 0.048 4.528 4.480 -0.001 0.000 0.263 275 M C 1.668 178.014 176.300 0.077 0.000 1.063 275 M CA 1.085 56.431 55.300 0.077 0.000 1.110 275 M CB -0.371 32.273 32.600 0.073 0.000 1.374 275 M HN 0.062 nan 8.290 nan 0.000 0.411 276 I N 0.124 120.738 120.570 0.074 0.000 2.208 276 I HA -0.348 3.821 4.170 -0.001 0.000 0.245 276 I C 1.856 177.989 176.117 0.028 0.000 1.097 276 I CA 1.158 62.503 61.300 0.074 0.000 1.363 276 I CB -0.840 37.204 38.000 0.073 0.000 1.051 276 I HN 0.364 nan 8.210 nan 0.000 0.413 277 N N 0.238 118.938 118.700 0.000 0.000 2.207 277 N HA -0.091 4.648 4.740 -0.001 0.000 0.182 277 N C 1.883 177.404 175.510 0.019 0.000 1.020 277 N CA 1.578 54.626 53.050 -0.003 0.000 0.858 277 N CB -0.475 38.012 38.487 0.001 0.000 0.991 277 N HN 0.299 nan 8.380 nan 0.000 0.427 278 T N 1.260 115.837 114.554 0.040 0.000 2.684 278 T HA -0.064 4.286 4.350 -0.001 0.000 0.267 278 T C 2.196 176.922 174.700 0.044 0.000 1.036 278 T CA 0.950 63.076 62.100 0.044 0.000 1.148 278 T CB -0.349 68.553 68.868 0.057 0.000 0.863 278 T HN -0.041 nan 8.240 nan 0.000 0.436 279 V N 1.653 121.600 119.914 0.055 0.000 2.295 279 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 279 V C 2.518 178.634 176.094 0.037 0.000 1.049 279 V CA 1.858 64.194 62.300 0.060 0.000 1.024 279 V CB -0.586 31.286 31.823 0.081 0.000 0.648 279 V HN 0.466 nan 8.190 nan 0.000 0.447 280 K N -0.157 120.257 120.400 0.023 0.000 2.074 280 K HA -0.249 4.070 4.320 -0.001 0.000 0.209 280 K C 2.402 178.991 176.600 -0.018 0.000 1.048 280 K CA 2.141 58.425 56.287 -0.005 0.000 0.926 280 K CB -0.285 32.200 32.500 -0.024 0.000 0.713 280 K HN 0.423 nan 8.250 nan 0.000 0.444 281 S N 0.057 115.750 115.700 -0.011 0.000 2.356 281 S HA -0.055 4.414 4.470 -0.001 0.000 0.219 281 S C 1.193 175.790 174.600 -0.004 0.000 1.036 281 S CA 1.117 59.307 58.200 -0.017 0.000 0.965 281 S CB -0.154 63.037 63.200 -0.015 0.000 0.864 281 S HN 0.368 nan 8.310 nan 0.000 0.471 282 D N 0.362 120.769 120.400 0.012 0.000 2.349 282 D HA 0.177 4.816 4.640 -0.001 0.000 0.215 282 D C 0.108 176.423 176.300 0.025 0.000 1.016 282 D CA 0.113 54.124 54.000 0.019 0.000 0.870 282 D CB -0.247 40.570 40.800 0.029 0.000 0.917 282 D HN 0.226 nan 8.370 nan 0.000 0.524 283 c N 1.104 119.722 118.600 0.029 0.000 2.369 283 c HA 0.203 4.772 4.570 -0.001 0.000 0.358 283 c C -0.878 173.226 174.090 0.024 0.000 1.274 283 c CA -1.747 54.604 56.329 0.037 0.000 1.935 283 c CB 1.287 43.828 42.510 0.052 0.000 2.431 283 c HN 0.140 nan 8.230 nan 0.000 0.545 284 P HA -0.118 nan 4.420 nan 0.000 0.216 284 P C -0.185 177.126 177.300 0.018 0.000 1.157 284 P CA 1.707 64.817 63.100 0.017 0.000 0.880 284 P CB 0.157 31.870 31.700 0.021 0.000 0.791 285 D N -2.613 117.805 120.400 0.030 0.000 2.318 285 D HA 0.070 4.709 4.640 -0.001 0.000 0.233 285 D C 0.726 177.050 176.300 0.040 0.000 1.348 285 D CA -0.110 53.907 54.000 0.028 0.000 0.983 285 D CB 0.278 41.097 40.800 0.033 0.000 1.416 285 D HN -0.150 nan 8.370 nan 0.000 0.558 286 S N 1.110 116.828 115.700 0.029 0.000 2.440 286 S HA -0.214 4.256 4.470 -0.001 0.000 0.238 286 S C 1.699 176.324 174.600 0.043 0.000 1.010 286 S CA 1.739 59.963 58.200 0.039 0.000 0.972 286 S CB -0.589 62.627 63.200 0.026 0.000 0.774 286 S HN 0.520 nan 8.310 nan 0.000 0.501 287 T N -0.685 113.888 114.554 0.031 0.000 3.113 287 T HA 0.283 4.632 4.350 -0.001 0.000 0.256 287 T C 1.263 175.997 174.700 0.056 0.000 1.131 287 T CA 0.207 62.326 62.100 0.031 0.000 1.074 287 T CB -0.453 68.422 68.868 0.012 0.000 0.944 287 T HN 0.438 nan 8.240 nan 0.000 0.516 288 L N 0.546 121.814 121.223 0.076 0.000 2.700 288 L HA 0.456 4.796 4.340 -0.001 0.000 0.234 288 L C 0.370 177.345 176.870 0.174 0.000 1.156 288 L CA -0.252 54.660 54.840 0.121 0.000 0.946 288 L CB 0.007 42.160 42.059 0.157 0.000 1.216 288 L HN 0.232 nan 8.230 nan 0.000 0.493 289 L N -0.619 120.683 121.223 0.131 0.000 2.431 289 L HA 0.558 4.897 4.340 -0.001 0.000 0.260 289 L C 0.601 177.564 176.870 0.154 0.000 1.098 289 L CA -0.556 54.364 54.840 0.134 0.000 0.800 289 L CB 0.854 42.982 42.059 0.116 0.000 1.210 289 L HN -0.042 nan 8.230 nan 0.000 0.465 290 G N -0.369 108.528 108.800 0.162 0.000 2.478 290 G HA2 0.539 4.498 3.960 -0.001 0.000 0.317 290 G HA3 0.539 4.498 3.960 -0.001 0.000 0.317 290 G C -0.733 174.329 174.900 0.270 0.000 1.259 290 G CA -0.218 45.002 45.100 0.200 0.000 0.933 290 G HN 0.444 nan 8.290 nan 0.000 0.478 291 T N 1.841 116.545 114.554 0.250 0.000 2.837 291 T HA 0.664 5.013 4.350 -0.001 0.000 0.285 291 T C -0.615 174.283 174.700 0.329 0.000 0.984 291 T CA -0.050 62.185 62.100 0.225 0.000 1.049 291 T CB 0.681 69.648 68.868 0.166 0.000 0.947 291 T HN 0.623 nan 8.240 nan 0.000 0.472 292 F N -0.184 119.835 119.950 0.115 0.000 2.668 292 F HA 0.715 5.241 4.527 -0.001 0.000 0.309 292 F C -0.374 175.532 175.800 0.176 0.000 1.117 292 F CA -1.359 56.706 58.000 0.108 0.000 0.951 292 F CB 0.986 39.992 39.000 0.010 0.000 1.323 292 F HN 0.234 nan 8.300 nan 0.000 0.451 293 V N 0.217 120.298 119.914 0.278 0.000 3.432 293 V HA 0.375 4.495 4.120 -0.001 0.000 0.298 293 V C -0.602 175.839 176.094 0.579 0.000 1.464 293 V CA 0.585 63.093 62.300 0.346 0.000 1.046 293 V CB 0.154 32.080 31.823 0.173 0.000 0.887 293 V HN 0.854 nan 8.190 nan 0.000 0.441 294 E N 1.345 121.868 120.200 0.539 0.000 2.290 294 E HA 0.476 4.825 4.350 -0.001 0.000 0.274 294 E C -1.064 175.749 176.600 0.356 0.000 0.889 294 E CA -0.425 56.258 56.400 0.472 0.000 0.760 294 E CB 1.618 31.580 29.700 0.437 0.000 1.206 294 E HN 0.578 nan 8.360 nan 0.000 0.419 295 N N 0.870 119.691 118.700 0.202 0.000 3.439 295 N HA 0.139 4.878 4.740 -0.001 0.000 0.313 295 N C 0.044 175.454 175.510 -0.167 0.000 1.598 295 N CA -0.481 52.471 53.050 -0.163 0.000 0.830 295 N CB -0.027 38.319 38.487 -0.235 0.000 1.849 295 N HN 0.528 nan 8.380 nan 0.000 0.598 296 H N -2.173 116.587 119.070 -0.516 0.000 2.539 296 H HA 0.354 4.909 4.556 -0.001 0.000 0.267 296 H C -0.761 174.511 175.328 -0.093 0.000 0.982 296 H CA 0.214 56.112 56.048 -0.250 0.000 1.146 296 H CB -0.346 29.292 29.762 -0.207 0.000 1.382 296 H HN 0.517 nan 8.280 nan 0.000 0.577 297 D N 0.143 120.424 120.400 -0.198 0.000 2.479 297 D HA 0.162 4.801 4.640 -0.001 0.000 0.218 297 D C -0.512 175.774 176.300 -0.023 0.000 1.177 297 D CA -0.053 53.820 54.000 -0.212 0.000 0.830 297 D CB 0.352 40.964 40.800 -0.314 0.000 1.014 297 D HN 0.367 nan 8.370 nan 0.000 0.503 298 N N -0.168 118.572 118.700 0.065 0.000 2.494 298 N HA 0.354 5.094 4.740 -0.001 0.000 0.270 298 N C -2.868 172.758 175.510 0.193 0.000 1.285 298 N CA -1.349 51.805 53.050 0.174 0.000 0.812 298 N CB 2.253 40.908 38.487 0.280 0.000 1.557 298 N HN -0.301 nan 8.380 nan 0.000 0.487 299 P HA 0.067 nan 4.420 nan 0.000 0.266 299 P C -0.561 176.862 177.300 0.206 0.000 1.195 299 P CA 0.159 63.307 63.100 0.080 0.000 0.768 299 P CB 0.531 32.135 31.700 -0.160 0.000 0.838 300 R N 1.817 122.412 120.500 0.159 0.000 2.694 300 R HA 0.065 4.405 4.340 -0.001 0.000 0.268 300 R C 1.217 177.710 176.300 0.322 0.000 1.061 300 R CA -0.193 56.069 56.100 0.269 0.000 1.133 300 R CB -0.154 30.271 30.300 0.210 0.000 1.020 300 R HN 0.471 nan 8.270 nan 0.000 0.475 301 F N 2.440 122.573 119.950 0.305 0.000 2.063 301 F HA -0.317 4.210 4.527 -0.001 0.000 0.298 301 F C 2.075 178.039 175.800 0.273 0.000 1.109 301 F CA 2.386 60.594 58.000 0.347 0.000 1.212 301 F CB -0.262 38.894 39.000 0.259 0.000 0.973 301 F HN 0.666 nan 8.300 nan 0.000 0.480 302 A N -0.711 122.260 122.820 0.252 0.000 2.225 302 A HA -0.105 4.215 4.320 -0.001 0.000 0.215 302 A C 2.186 179.703 177.584 -0.111 0.000 1.164 302 A CA 1.410 53.443 52.037 -0.007 0.000 0.710 302 A CB -1.238 17.582 19.000 -0.300 0.000 0.780 302 A HN 0.548 nan 8.150 nan 0.000 0.473 303 S N -1.628 113.998 115.700 -0.123 0.000 2.461 303 S HA -0.099 4.371 4.470 -0.001 0.000 0.228 303 S C 1.646 176.058 174.600 -0.315 0.000 1.005 303 S CA 0.969 59.024 58.200 -0.242 0.000 0.942 303 S CB -0.669 62.342 63.200 -0.316 0.000 0.776 303 S HN 0.573 nan 8.310 nan 0.000 0.514 304 Y N 1.924 122.126 120.300 -0.163 0.000 2.365 304 Y HA 0.331 4.880 4.550 -0.001 0.000 0.293 304 Y C 1.486 177.280 175.900 -0.176 0.000 1.119 304 Y CA 0.799 58.789 58.100 -0.184 0.000 1.203 304 Y CB -0.053 38.243 38.460 -0.273 0.000 1.026 304 Y HN 0.395 nan 8.280 nan 0.000 0.549 305 T N -0.392 114.128 114.554 -0.056 0.000 3.012 305 T HA 0.218 4.568 4.350 -0.001 0.000 0.330 305 T C -0.438 174.287 174.700 0.043 0.000 1.321 305 T CA -0.781 61.311 62.100 -0.014 0.000 1.067 305 T CB 0.676 69.533 68.868 -0.018 0.000 1.235 305 T HN 0.261 nan 8.240 nan 0.000 0.479 306 N N 2.153 120.910 118.700 0.094 0.000 2.268 306 N HA 0.107 4.846 4.740 -0.001 0.000 0.204 306 N C -0.042 175.653 175.510 0.308 0.000 1.124 306 N CA -0.378 52.790 53.050 0.196 0.000 0.838 306 N CB 0.248 38.816 38.487 0.135 0.000 0.994 306 N HN 0.573 nan 8.380 nan 0.000 0.489 307 D N 0.829 121.370 120.400 0.235 0.000 2.363 307 D HA -0.032 4.608 4.640 -0.001 0.000 0.263 307 D C 0.888 177.319 176.300 0.218 0.000 1.258 307 D CA -0.181 53.939 54.000 0.199 0.000 0.907 307 D CB 0.627 41.532 40.800 0.174 0.000 1.107 307 D HN 0.077 nan 8.370 nan 0.000 0.495 308 I N 4.771 125.395 120.570 0.089 0.000 2.361 308 I HA -0.215 3.955 4.170 -0.001 0.000 0.251 308 I C 2.192 178.323 176.117 0.024 0.000 1.133 308 I CA 1.256 62.523 61.300 -0.054 0.000 1.413 308 I CB 0.018 37.938 38.000 -0.134 0.000 1.073 308 I HN 0.549 nan 8.210 nan 0.000 0.424 309 A N -0.023 122.839 122.820 0.069 0.000 1.897 309 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 309 A C 2.254 179.903 177.584 0.107 0.000 1.181 309 A CA 1.352 53.432 52.037 0.071 0.000 0.620 309 A CB -0.829 18.219 19.000 0.081 0.000 0.821 309 A HN 0.432 nan 8.150 nan 0.000 0.443 310 L N -0.610 120.730 121.223 0.196 0.000 2.012 310 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 310 L C 3.109 180.085 176.870 0.177 0.000 1.073 310 L CA 1.283 56.303 54.840 0.300 0.000 0.748 310 L CB -0.726 41.606 42.059 0.455 0.000 0.891 310 L HN 0.441 nan 8.230 nan 0.000 0.431 311 A N 0.061 123.029 122.820 0.247 0.000 1.940 311 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 311 A C 2.342 179.833 177.584 -0.156 0.000 1.176 311 A CA 1.808 53.850 52.037 0.009 0.000 0.631 311 A CB -0.388 18.768 19.000 0.260 0.000 0.814 311 A HN 0.330 nan 8.150 nan 0.000 0.446 312 K N -0.318 120.037 120.400 -0.075 0.000 2.057 312 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 312 K C 1.874 178.378 176.600 -0.160 0.000 1.049 312 K CA 1.408 57.640 56.287 -0.091 0.000 0.931 312 K CB -0.208 32.266 32.500 -0.043 0.000 0.714 312 K HN 0.475 nan 8.250 nan 0.000 0.440 313 N N 0.519 119.090 118.700 -0.215 0.000 2.142 313 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 313 N C 1.838 176.943 175.510 -0.676 0.000 1.023 313 N CA 0.950 53.777 53.050 -0.372 0.000 0.852 313 N CB -0.129 38.163 38.487 -0.326 0.000 0.998 313 N HN -0.012 nan 8.380 nan 0.000 0.424 314 V N 1.595 121.003 119.914 -0.843 0.000 2.515 314 V HA -0.106 4.014 4.120 -0.001 0.000 0.250 314 V C 2.265 178.156 176.094 -0.339 0.000 1.058 314 V CA 1.725 63.547 62.300 -0.797 0.000 1.064 314 V CB -0.534 30.758 31.823 -0.885 0.000 0.675 314 V HN 0.255 nan 8.190 nan 0.000 0.461 315 A N -0.173 122.480 122.820 -0.278 0.000 1.902 315 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 315 A C 2.415 179.964 177.584 -0.058 0.000 1.181 315 A CA 2.016 53.988 52.037 -0.108 0.000 0.623 315 A CB -0.917 18.036 19.000 -0.078 0.000 0.818 315 A HN 0.741 nan 8.150 nan 0.000 0.443 316 A N -1.100 121.666 122.820 -0.089 0.000 1.902 316 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 316 A C 2.052 179.632 177.584 -0.007 0.000 1.181 316 A CA 1.600 53.607 52.037 -0.050 0.000 0.623 316 A CB -0.762 18.209 19.000 -0.049 0.000 0.818 316 A HN 0.669 nan 8.150 nan 0.000 0.443 317 F N 0.609 120.479 119.950 -0.134 0.000 2.069 317 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 317 F C 1.955 177.746 175.800 -0.014 0.000 1.113 317 F CA 1.997 59.960 58.000 -0.061 0.000 1.214 317 F CB -0.316 38.634 39.000 -0.083 0.000 0.978 317 F HN 0.185 nan 8.300 nan 0.000 0.474 318 I N 0.268 120.945 120.570 0.178 0.000 2.151 318 I HA -0.372 3.797 4.170 -0.001 0.000 0.243 318 I C 2.229 178.358 176.117 0.019 0.000 1.080 318 I CA 1.090 62.469 61.300 0.132 0.000 1.339 318 I CB -0.525 37.575 38.000 0.167 0.000 1.039 318 I HN 0.181 nan 8.210 nan 0.000 0.409 319 I N -0.020 120.551 120.570 0.002 0.000 2.394 319 I HA -0.200 3.969 4.170 -0.001 0.000 0.251 319 I C 2.164 178.264 176.117 -0.029 0.000 1.136 319 I CA 1.750 63.046 61.300 -0.007 0.000 1.425 319 I CB -0.797 37.176 38.000 -0.045 0.000 1.079 319 I HN 0.289 nan 8.210 nan 0.000 0.425 320 L N -0.396 120.765 121.223 -0.103 0.000 2.638 320 L HA 0.113 4.452 4.340 -0.001 0.000 0.232 320 L C 0.956 177.720 176.870 -0.177 0.000 1.099 320 L CA -0.211 54.587 54.840 -0.071 0.000 0.883 320 L CB -0.230 41.800 42.059 -0.048 0.000 1.136 320 L HN 0.171 nan 8.230 nan 0.000 0.492 321 N N 0.489 118.946 118.700 -0.406 0.000 2.297 321 N HA -0.057 4.683 4.740 -0.001 0.000 0.232 321 N C -0.212 175.199 175.510 -0.164 0.000 1.311 321 N CA 0.068 52.852 53.050 -0.443 0.000 0.897 321 N CB 0.376 38.464 38.487 -0.665 0.000 1.137 321 N HN -0.074 nan 8.380 nan 0.000 0.449 322 D N -0.427 119.907 120.400 -0.110 0.000 2.400 322 D HA 0.391 5.030 4.640 -0.001 0.000 0.238 322 D C 0.922 177.226 176.300 0.007 0.000 1.157 322 D CA 1.685 55.657 54.000 -0.046 0.000 0.889 322 D CB 0.152 40.940 40.800 -0.019 0.000 1.199 322 D HN 0.773 nan 8.370 nan 0.000 0.436 323 G N 0.514 109.335 108.800 0.035 0.000 2.584 323 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.229 323 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.229 323 G C -0.405 174.562 174.900 0.112 0.000 1.320 323 G CA -0.386 44.761 45.100 0.079 0.000 0.891 323 G HN 0.532 nan 8.290 nan 0.000 0.573 324 I N 2.339 123.000 120.570 0.151 0.000 2.321 324 I HA 0.348 4.517 4.170 -0.001 0.000 0.291 324 I C -2.107 174.140 176.117 0.218 0.000 0.998 324 I CA -1.981 59.439 61.300 0.200 0.000 1.227 324 I CB 1.994 40.144 38.000 0.250 0.000 1.368 324 I HN 0.162 nan 8.210 nan 0.000 0.466 325 P HA 0.238 nan 4.420 nan 0.000 0.271 325 P C -0.715 176.778 177.300 0.321 0.000 1.216 325 P CA 0.139 63.383 63.100 0.240 0.000 0.771 325 P CB 0.538 32.364 31.700 0.210 0.000 0.864 326 I N 4.122 124.887 120.570 0.325 0.000 2.476 326 I HA 0.331 4.500 4.170 -0.001 0.000 0.281 326 I C -0.345 175.946 176.117 0.291 0.000 1.040 326 I CA -0.639 60.855 61.300 0.323 0.000 1.094 326 I CB 1.244 39.439 38.000 0.325 0.000 1.219 326 I HN 0.073 nan 8.210 nan 0.000 0.450 327 I N 5.842 126.544 120.570 0.221 0.000 2.392 327 I HA 0.236 4.405 4.170 -0.001 0.000 0.295 327 I C -0.579 175.513 176.117 -0.043 0.000 0.985 327 I CA -0.712 60.682 61.300 0.157 0.000 1.221 327 I CB 1.588 39.761 38.000 0.287 0.000 1.366 327 I HN 0.414 nan 8.210 nan 0.000 0.467 328 Y N 5.957 126.167 120.300 -0.150 0.000 2.335 328 Y HA 0.598 5.147 4.550 -0.001 0.000 0.339 328 Y C 0.428 176.045 175.900 -0.472 0.000 0.987 328 Y CA -1.701 56.192 58.100 -0.346 0.000 1.140 328 Y CB 1.067 39.453 38.460 -0.123 0.000 1.173 328 Y HN 0.679 nan 8.280 nan 0.000 0.486 329 A N 4.366 126.593 122.820 -0.988 0.000 2.592 329 A HA 0.356 4.675 4.320 -0.001 0.000 0.250 329 A C 1.423 178.561 177.584 -0.743 0.000 1.017 329 A CA 1.479 53.035 52.037 -0.803 0.000 0.794 329 A CB -1.212 17.437 19.000 -0.585 0.000 0.917 329 A HN 1.982 nan 8.150 nan 0.000 0.515 330 G N 1.161 109.667 108.800 -0.490 0.000 2.307 330 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.210 330 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.210 330 G C 1.157 175.770 174.900 -0.478 0.000 1.005 330 G CA 0.870 45.459 45.100 -0.851 0.000 0.634 330 G HN 0.968 nan 8.290 nan 0.000 0.496 331 Q N 0.791 120.453 119.800 -0.229 0.000 2.096 331 Q HA -0.143 4.197 4.340 -0.001 0.000 0.204 331 Q C 2.320 178.358 176.000 0.062 0.000 0.982 331 Q CA 2.055 57.858 55.803 -0.000 0.000 0.850 331 Q CB -0.219 28.558 28.738 0.064 0.000 0.901 331 Q HN 0.693 nan 8.270 nan 0.000 0.422 332 E N -0.424 119.813 120.200 0.062 0.000 2.472 332 E HA -0.178 4.171 4.350 -0.001 0.000 0.200 332 E C 0.573 177.253 176.600 0.133 0.000 1.046 332 E CA 0.718 57.195 56.400 0.127 0.000 0.871 332 E CB 0.197 30.005 29.700 0.179 0.000 0.806 332 E HN 0.412 nan 8.360 nan 0.000 0.533 333 Q N 0.180 119.990 119.800 0.016 0.000 2.172 333 Q HA 0.079 4.419 4.340 -0.001 0.000 0.217 333 Q C -0.407 175.713 176.000 0.201 0.000 0.832 333 Q CA -0.188 55.639 55.803 0.041 0.000 1.010 333 Q CB -0.467 28.180 28.738 -0.150 0.000 1.133 333 Q HN 0.514 nan 8.270 nan 0.000 0.489 334 H N -0.206 118.913 119.070 0.082 0.000 2.862 334 H HA -0.195 4.361 4.556 -0.001 0.000 0.290 334 H C -0.853 174.629 175.328 0.256 0.000 1.211 334 H CA -0.145 56.001 56.048 0.164 0.000 1.140 334 H CB -0.542 29.310 29.762 0.150 0.000 1.341 334 H HN 0.139 nan 8.280 nan 0.000 0.392 335 Y N 0.052 120.362 120.300 0.017 0.000 2.702 335 Y HA 0.174 4.724 4.550 -0.001 0.000 0.336 335 Y C 1.180 177.026 175.900 -0.089 0.000 1.235 335 Y CA 0.553 58.614 58.100 -0.065 0.000 1.492 335 Y CB 0.682 39.084 38.460 -0.097 0.000 1.308 335 Y HN 0.405 nan 8.280 nan 0.000 0.589 336 A N 2.645 125.458 122.820 -0.013 0.000 2.610 336 A HA 0.424 4.743 4.320 -0.001 0.000 0.291 336 A C 0.944 178.478 177.584 -0.083 0.000 1.116 336 A CA 0.128 52.121 52.037 -0.073 0.000 0.963 336 A CB -0.549 18.367 19.000 -0.141 0.000 1.220 336 A HN 0.802 nan 8.150 nan 0.000 0.530 337 G N 0.001 108.764 108.800 -0.063 0.000 2.441 337 G HA2 0.441 4.401 3.960 -0.001 0.000 0.243 337 G HA3 0.441 4.401 3.960 -0.001 0.000 0.243 337 G C 0.646 175.518 174.900 -0.046 0.000 1.281 337 G CA 0.322 45.382 45.100 -0.068 0.000 0.854 337 G HN 0.556 nan 8.290 nan 0.000 0.560 338 G N 0.830 109.588 108.800 -0.069 0.000 2.514 338 G HA2 0.196 4.155 3.960 -0.001 0.000 0.245 338 G HA3 0.196 4.155 3.960 -0.001 0.000 0.245 338 G C 0.462 175.349 174.900 -0.021 0.000 1.488 338 G CA -0.770 44.286 45.100 -0.075 0.000 1.063 338 G HN 0.628 nan 8.290 nan 0.000 0.557 339 N N 0.913 119.601 118.700 -0.020 0.000 2.395 339 N HA 0.015 4.754 4.740 -0.001 0.000 0.246 339 N C 0.171 175.680 175.510 -0.001 0.000 1.246 339 N CA -0.080 52.971 53.050 0.000 0.000 0.879 339 N CB 0.508 38.991 38.487 -0.007 0.000 1.098 339 N HN 0.487 nan 8.380 nan 0.000 0.444 340 D N 1.522 121.922 120.400 0.000 0.000 3.139 340 D HA -0.121 4.519 4.640 -0.001 0.000 0.212 340 D C -1.559 174.740 176.300 -0.001 0.000 1.084 340 D CA -0.310 53.692 54.000 0.003 0.000 0.777 340 D CB 0.539 41.310 40.800 -0.049 0.000 1.156 340 D HN 0.364 nan 8.370 nan 0.000 0.537 341 P HA 0.215 nan 4.420 nan 0.000 0.268 341 P C 0.709 178.030 177.300 0.034 0.000 1.329 341 P CA -0.012 63.131 63.100 0.072 0.000 0.899 341 P CB 0.431 32.188 31.700 0.096 0.000 1.378 342 A N 2.217 125.039 122.820 0.004 0.000 2.019 342 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 342 A C 1.683 179.261 177.584 -0.009 0.000 1.164 342 A CA 1.644 53.665 52.037 -0.026 0.000 0.644 342 A CB -1.211 17.763 19.000 -0.042 0.000 0.805 342 A HN 0.348 nan 8.150 nan 0.000 0.449 343 N N -0.978 117.755 118.700 0.055 0.000 2.370 343 N HA 0.064 4.804 4.740 -0.001 0.000 0.198 343 N C 0.319 175.953 175.510 0.207 0.000 1.156 343 N CA 0.133 53.265 53.050 0.136 0.000 0.839 343 N CB -0.195 38.411 38.487 0.198 0.000 0.989 343 N HN 0.281 nan 8.380 nan 0.000 0.468 344 R N 0.496 121.071 120.500 0.125 0.000 2.831 344 R HA 0.220 4.560 4.340 -0.001 0.000 0.337 344 R C -0.654 175.623 176.300 -0.038 0.000 1.200 344 R CA -0.404 55.774 56.100 0.129 0.000 1.088 344 R CB -0.069 30.351 30.300 0.200 0.000 1.397 344 R HN 0.309 nan 8.270 nan 0.000 0.581 345 E N 0.997 121.144 120.200 -0.089 0.000 2.413 345 E HA 0.160 4.510 4.350 -0.001 0.000 0.263 345 E C 0.055 176.512 176.600 -0.239 0.000 1.015 345 E CA 0.085 56.349 56.400 -0.227 0.000 0.916 345 E CB 0.510 29.956 29.700 -0.422 0.000 0.947 345 E HN 0.294 nan 8.360 nan 0.000 0.440 346 A N 2.981 125.522 122.820 -0.466 0.000 2.488 346 A HA 0.083 4.403 4.320 -0.001 0.000 0.249 346 A C 1.017 178.243 177.584 -0.598 0.000 1.083 346 A CA -0.207 51.327 52.037 -0.839 0.000 0.768 346 A CB 0.129 18.108 19.000 -1.703 0.000 1.017 346 A HN 0.716 nan 8.150 nan 0.000 0.496 347 T N 1.934 116.212 114.554 -0.459 0.000 2.867 347 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 347 T C 1.391 175.718 174.700 -0.622 0.000 1.057 347 T CA 1.966 63.862 62.100 -0.340 0.000 1.136 347 T CB -0.345 68.457 68.868 -0.110 0.000 0.874 347 T HN 1.002 nan 8.240 nan 0.000 0.466 348 W N 1.743 122.752 121.300 -0.485 0.000 2.465 348 W HA 0.187 4.846 4.660 -0.001 0.000 0.268 348 W C 1.167 177.442 176.519 -0.406 0.000 1.242 348 W CA -0.019 56.942 57.345 -0.640 0.000 1.248 348 W CB -1.159 28.190 29.460 -0.185 0.000 1.118 348 W HN 0.118 nan 8.180 nan 0.000 0.587 349 L N 1.993 122.990 121.223 -0.376 0.000 2.465 349 L HA -0.117 4.223 4.340 -0.001 0.000 0.224 349 L C 2.662 179.475 176.870 -0.095 0.000 1.145 349 L CA 1.419 56.172 54.840 -0.144 0.000 0.834 349 L CB -0.762 41.158 42.059 -0.231 0.000 0.944 349 L HN 0.273 nan 8.230 nan 0.000 0.451 350 S N -1.038 114.576 115.700 -0.143 0.000 2.496 350 S HA 0.071 4.541 4.470 -0.001 0.000 0.224 350 S C 1.679 176.224 174.600 -0.092 0.000 0.996 350 S CA 0.545 58.711 58.200 -0.057 0.000 0.927 350 S CB 0.335 63.505 63.200 -0.051 0.000 0.774 350 S HN 0.499 nan 8.310 nan 0.000 0.524 351 G N 0.186 108.879 108.800 -0.179 0.000 2.176 351 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.253 351 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.253 351 G C 0.262 175.206 174.900 0.073 0.000 0.979 351 G CA -0.105 44.981 45.100 -0.024 0.000 0.641 351 G HN 0.757 nan 8.290 nan 0.000 0.530 352 Y N -1.644 118.609 120.300 -0.077 0.000 3.234 352 Y HA -0.138 4.411 4.550 -0.001 0.000 0.207 352 Y C -1.646 174.311 175.900 0.095 0.000 1.316 352 Y CA 0.210 58.232 58.100 -0.130 0.000 1.309 352 Y CB -2.305 35.902 38.460 -0.421 0.000 1.408 352 Y HN 0.433 nan 8.280 nan 0.000 0.544 353 P HA 0.054 nan 4.420 nan 0.000 0.266 353 P C 0.893 178.140 177.300 -0.089 0.000 1.215 353 P CA 0.584 63.722 63.100 0.063 0.000 0.763 353 P CB 0.860 32.586 31.700 0.045 0.000 0.806 354 T N -2.052 112.329 114.554 -0.289 0.000 3.144 354 T HA 0.001 4.350 4.350 -0.001 0.000 0.249 354 T C 0.562 174.854 174.700 -0.680 0.000 1.089 354 T CA 0.147 61.673 62.100 -0.956 0.000 0.989 354 T CB -0.470 68.008 68.868 -0.650 0.000 0.992 354 T HN 0.357 nan 8.240 nan 0.000 0.540 355 D N 0.890 121.122 120.400 -0.280 0.000 2.479 355 D HA 0.103 4.742 4.640 -0.001 0.000 0.218 355 D C 0.592 176.874 176.300 -0.029 0.000 1.177 355 D CA -0.366 53.567 54.000 -0.112 0.000 0.830 355 D CB -0.205 40.556 40.800 -0.066 0.000 1.014 355 D HN 0.441 nan 8.370 nan 0.000 0.503 356 S N -0.180 115.517 115.700 -0.004 0.000 2.593 356 S HA 0.092 4.561 4.470 -0.001 0.000 0.269 356 S C 1.229 175.879 174.600 0.084 0.000 1.334 356 S CA -0.505 57.732 58.200 0.060 0.000 1.015 356 S CB 1.843 65.105 63.200 0.103 0.000 0.912 356 S HN 0.026 nan 8.310 nan 0.000 0.541 357 E N 0.977 121.206 120.200 0.050 0.000 2.033 357 E HA -0.177 4.172 4.350 -0.001 0.000 0.199 357 E C 1.907 178.532 176.600 0.043 0.000 1.011 357 E CA 1.631 58.047 56.400 0.026 0.000 0.815 357 E CB -0.477 29.210 29.700 -0.020 0.000 0.755 357 E HN 0.693 nan 8.360 nan 0.000 0.451 358 L N -0.322 120.933 121.223 0.054 0.000 2.179 358 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 358 L C 2.540 179.460 176.870 0.082 0.000 1.096 358 L CA 0.527 55.398 54.840 0.051 0.000 0.779 358 L CB -0.414 41.681 42.059 0.060 0.000 0.922 358 L HN 0.106 nan 8.230 nan 0.000 0.443 359 Y N 1.399 121.704 120.300 0.009 0.000 2.128 359 Y HA -0.281 4.269 4.550 -0.001 0.000 0.284 359 Y C 2.542 178.415 175.900 -0.045 0.000 1.154 359 Y CA 1.639 59.731 58.100 -0.013 0.000 1.149 359 Y CB -0.021 38.430 38.460 -0.015 0.000 0.976 359 Y HN 0.001 nan 8.280 nan 0.000 0.505 360 K N -0.293 120.241 120.400 0.224 0.000 2.062 360 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 360 K C 2.103 178.705 176.600 0.003 0.000 1.051 360 K CA 1.075 57.432 56.287 0.116 0.000 0.941 360 K CB -0.544 32.005 32.500 0.081 0.000 0.719 360 K HN 0.321 nan 8.250 nan 0.000 0.440 361 L N 1.878 123.096 121.223 -0.007 0.000 1.990 361 L HA -0.215 4.125 4.340 -0.001 0.000 0.213 361 L C 2.108 178.926 176.870 -0.086 0.000 1.072 361 L CA 1.838 56.653 54.840 -0.043 0.000 0.755 361 L CB -0.614 41.424 42.059 -0.036 0.000 0.889 361 L HN 0.170 nan 8.230 nan 0.000 0.432 362 I N 0.225 120.729 120.570 -0.110 0.000 2.226 362 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 362 I C 2.840 178.790 176.117 -0.279 0.000 1.100 362 I CA 1.142 62.334 61.300 -0.181 0.000 1.374 362 I CB -0.474 37.430 38.000 -0.160 0.000 1.057 362 I HN 0.328 nan 8.210 nan 0.000 0.413 363 A N 0.110 122.761 122.820 -0.281 0.000 1.883 363 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 363 A C 2.492 179.960 177.584 -0.192 0.000 1.186 363 A CA 2.422 54.303 52.037 -0.261 0.000 0.624 363 A CB -0.889 18.016 19.000 -0.158 0.000 0.822 363 A HN 0.395 nan 8.150 nan 0.000 0.444 364 S N -0.226 115.391 115.700 -0.138 0.000 2.359 364 S HA -0.073 4.396 4.470 -0.001 0.000 0.224 364 S C 2.318 176.832 174.600 -0.144 0.000 1.035 364 S CA 1.351 59.477 58.200 -0.123 0.000 1.018 364 S CB -0.527 62.620 63.200 -0.088 0.000 0.876 364 S HN 0.823 nan 8.310 nan 0.000 0.448 365 A N 2.442 125.175 122.820 -0.146 0.000 1.898 365 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 365 A C 1.961 179.438 177.584 -0.179 0.000 1.181 365 A CA 1.413 53.365 52.037 -0.142 0.000 0.620 365 A CB -0.686 18.244 19.000 -0.116 0.000 0.819 365 A HN 0.414 nan 8.150 nan 0.000 0.442 366 N N 0.469 119.027 118.700 -0.236 0.000 2.166 366 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 366 N C 1.902 177.275 175.510 -0.227 0.000 1.019 366 N CA 1.465 54.353 53.050 -0.270 0.000 0.856 366 N CB -0.536 37.698 38.487 -0.422 0.000 0.993 366 N HN 0.464 nan 8.380 nan 0.000 0.426 367 A N 1.067 123.762 122.820 -0.208 0.000 1.865 367 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 367 A C 2.274 179.751 177.584 -0.177 0.000 1.191 367 A CA 1.202 53.135 52.037 -0.173 0.000 0.623 367 A CB -0.726 18.178 19.000 -0.159 0.000 0.826 367 A HN 0.235 nan 8.150 nan 0.000 0.444 368 I N -0.324 120.120 120.570 -0.210 0.000 2.202 368 I HA -0.180 3.989 4.170 -0.001 0.000 0.242 368 I C 2.425 178.347 176.117 -0.325 0.000 1.091 368 I CA 1.868 63.002 61.300 -0.276 0.000 1.368 368 I CB -0.489 37.343 38.000 -0.279 0.000 1.058 368 I HN 0.428 nan 8.210 nan 0.000 0.410 369 R N 0.318 120.641 120.500 -0.295 0.000 2.083 369 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 369 R C 2.088 178.150 176.300 -0.397 0.000 1.137 369 R CA 1.964 57.835 56.100 -0.382 0.000 0.951 369 R CB -0.351 29.820 30.300 -0.215 0.000 0.851 369 R HN 0.403 nan 8.270 nan 0.000 0.434 370 N N -0.191 118.357 118.700 -0.254 0.000 2.120 370 N HA -0.207 4.532 4.740 -0.001 0.000 0.188 370 N C 1.523 176.916 175.510 -0.194 0.000 1.024 370 N CA 1.341 54.269 53.050 -0.204 0.000 0.852 370 N CB -0.588 37.807 38.487 -0.153 0.000 1.003 370 N HN 0.301 nan 8.380 nan 0.000 0.424 371 Y N 1.733 121.861 120.300 -0.287 0.000 2.114 371 Y HA -0.158 4.392 4.550 -0.000 0.000 0.284 371 Y C 2.363 178.090 175.900 -0.290 0.000 1.143 371 Y CA 1.889 59.835 58.100 -0.257 0.000 1.135 371 Y CB -0.674 37.628 38.460 -0.264 0.000 0.980 371 Y HN 0.081 nan 8.280 nan 0.000 0.499 372 A N 0.462 123.063 122.820 -0.364 0.000 1.927 372 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 372 A C 2.290 179.624 177.584 -0.415 0.000 1.185 372 A CA 2.335 54.104 52.037 -0.446 0.000 0.639 372 A CB -1.284 17.298 19.000 -0.696 0.000 0.820 372 A HN 0.620 nan 8.150 nan 0.000 0.451 373 I N 0.460 120.753 120.570 -0.460 0.000 2.315 373 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 373 I C 2.823 178.824 176.117 -0.194 0.000 1.117 373 I CA 1.462 62.603 61.300 -0.265 0.000 1.404 373 I CB -0.350 37.525 38.000 -0.209 0.000 1.071 373 I HN 0.523 nan 8.210 nan 0.000 0.419 374 S N 0.741 116.284 115.700 -0.261 0.000 2.419 374 S HA -0.121 4.348 4.470 -0.001 0.000 0.233 374 S C 1.903 176.352 174.600 -0.251 0.000 1.016 374 S CA 0.788 58.841 58.200 -0.245 0.000 0.974 374 S CB -0.127 62.903 63.200 -0.283 0.000 0.786 374 S HN 0.313 nan 8.310 nan 0.000 0.492 375 K N 0.920 121.132 120.400 -0.313 0.000 2.244 375 K HA 0.225 4.544 4.320 -0.001 0.000 0.200 375 K C 0.031 176.580 176.600 -0.085 0.000 1.052 375 K CA 0.574 56.732 56.287 -0.215 0.000 0.980 375 K CB -0.371 31.976 32.500 -0.255 0.000 0.838 375 K HN 0.441 nan 8.250 nan 0.000 0.481 376 D N 1.458 121.827 120.400 -0.052 0.000 2.477 376 D HA 0.028 4.667 4.640 -0.001 0.000 0.239 376 D C 0.762 177.106 176.300 0.073 0.000 1.102 376 D CA -0.138 53.887 54.000 0.041 0.000 0.901 376 D CB 0.986 41.856 40.800 0.116 0.000 1.026 376 D HN 0.090 nan 8.370 nan 0.000 0.515 377 T N -0.129 114.453 114.554 0.047 0.000 3.025 377 T HA -0.041 4.308 4.350 -0.001 0.000 0.270 377 T C 1.560 176.314 174.700 0.091 0.000 1.126 377 T CA 0.896 63.028 62.100 0.053 0.000 1.105 377 T CB -0.036 68.849 68.868 0.028 0.000 0.884 377 T HN 0.296 nan 8.240 nan 0.000 0.522 378 G N -0.691 108.180 108.800 0.119 0.000 3.088 378 G HA2 0.241 4.201 3.960 -0.001 0.000 0.217 378 G HA3 0.241 4.201 3.960 -0.001 0.000 0.217 378 G C 0.773 175.783 174.900 0.184 0.000 1.159 378 G CA -0.244 44.937 45.100 0.136 0.000 0.760 378 G HN 0.471 nan 8.290 nan 0.000 0.550 379 F N 2.228 122.212 119.950 0.057 0.000 2.051 379 F HA -0.187 4.339 4.527 -0.002 0.000 0.296 379 F C 2.674 178.523 175.800 0.082 0.000 1.122 379 F CA 2.302 60.332 58.000 0.050 0.000 1.201 379 F CB -0.264 38.737 39.000 0.002 0.000 0.978 379 F HN 0.049 nan 8.300 nan 0.000 0.472 380 V N -1.389 118.657 119.914 0.220 0.000 2.568 380 V HA -0.217 3.902 4.120 -0.001 0.000 0.253 380 V C 1.854 177.951 176.094 0.006 0.000 1.072 380 V CA 2.224 64.586 62.300 0.104 0.000 1.084 380 V CB -2.039 29.877 31.823 0.155 0.000 0.676 380 V HN 0.583 nan 8.190 nan 0.000 0.469 381 T N -4.014 110.558 114.554 0.030 0.000 3.081 381 T HA 0.159 4.508 4.350 -0.001 0.000 0.250 381 T C 0.584 175.283 174.700 -0.002 0.000 1.100 381 T CA 0.014 62.121 62.100 0.013 0.000 1.038 381 T CB -0.523 68.359 68.868 0.022 0.000 0.962 381 T HN 0.532 nan 8.240 nan 0.000 0.516 382 Y N 3.308 123.526 120.300 -0.137 0.000 2.531 382 Y HA 0.340 4.889 4.550 -0.001 0.000 0.347 382 Y C 0.187 175.990 175.900 -0.162 0.000 1.024 382 Y CA -1.397 56.618 58.100 -0.141 0.000 1.306 382 Y CB 0.302 38.667 38.460 -0.157 0.000 1.149 382 Y HN -0.031 nan 8.280 nan 0.000 0.527 383 K N 5.757 126.025 120.400 -0.220 0.000 2.363 383 K HA -0.022 4.298 4.320 -0.001 0.000 0.289 383 K C 0.030 176.651 176.600 0.035 0.000 1.063 383 K CA -0.249 55.974 56.287 -0.106 0.000 0.967 383 K CB 0.007 32.413 32.500 -0.156 0.000 0.987 383 K HN 0.692 nan 8.250 nan 0.000 0.473 384 N N 2.377 121.130 118.700 0.089 0.000 2.073 384 N HA -0.200 4.539 4.740 -0.001 0.000 0.276 384 N C -1.295 174.348 175.510 0.223 0.000 1.253 384 N CA 0.644 53.778 53.050 0.140 0.000 0.815 384 N CB 0.282 38.782 38.487 0.021 0.000 1.051 384 N HN 0.438 nan 8.380 nan 0.000 0.477 385 W N 6.970 128.303 121.300 0.054 0.000 2.499 385 W HA 0.494 5.153 4.660 -0.001 0.000 0.320 385 W C -2.796 173.725 176.519 0.002 0.000 1.010 385 W CA -2.830 54.530 57.345 0.025 0.000 1.267 385 W CB 0.894 30.414 29.460 0.100 0.000 1.316 385 W HN 0.484 nan 8.180 nan 0.000 0.431 386 P HA 0.133 nan 4.420 nan 0.000 0.276 386 P C 0.903 178.207 177.300 0.007 0.000 1.264 386 P CA 0.252 63.319 63.100 -0.054 0.000 0.769 386 P CB 0.536 31.861 31.700 -0.626 0.000 0.840 387 I N 0.443 120.987 120.570 -0.044 0.000 3.941 387 I HA 0.376 4.546 4.170 -0.001 0.000 0.321 387 I C -0.358 175.898 176.117 0.232 0.000 1.284 387 I CA 0.150 61.386 61.300 -0.105 0.000 1.226 387 I CB 0.150 37.914 38.000 -0.393 0.000 1.045 387 I HN 0.110 nan 8.210 nan 0.000 0.420 388 Y N 2.784 123.198 120.300 0.192 0.000 2.565 388 Y HA 0.561 5.110 4.550 -0.001 0.000 0.330 388 Y C -1.750 174.259 175.900 0.180 0.000 1.150 388 Y CA -1.389 56.801 58.100 0.150 0.000 1.055 388 Y CB 1.347 39.848 38.460 0.069 0.000 1.337 388 Y HN 0.222 nan 8.280 nan 0.000 0.457 389 K N 2.620 122.468 120.400 -0.919 0.000 2.556 389 K HA 0.769 5.088 4.320 -0.001 0.000 0.274 389 K C -2.095 173.941 176.600 -0.941 0.000 0.966 389 K CA -0.721 55.111 56.287 -0.757 0.000 0.865 389 K CB 3.015 35.247 32.500 -0.448 0.000 1.444 389 K HN 0.625 nan 8.250 nan 0.000 0.433 390 D N -0.518 119.579 120.400 -0.505 0.000 3.057 390 D HA 0.225 4.864 4.640 -0.001 0.000 0.328 390 D C -0.304 175.898 176.300 -0.163 0.000 1.317 390 D CA -0.511 53.321 54.000 -0.281 0.000 0.973 390 D CB 0.157 40.874 40.800 -0.138 0.000 1.424 390 D HN 0.409 nan 8.370 nan 0.000 0.569 391 D N -1.374 118.964 120.400 -0.103 0.000 2.309 391 D HA 0.014 4.654 4.640 -0.001 0.000 0.212 391 D C 1.153 177.409 176.300 -0.072 0.000 0.968 391 D CA 2.071 56.019 54.000 -0.086 0.000 0.882 391 D CB -0.069 40.692 40.800 -0.065 0.000 0.918 391 D HN 0.545 nan 8.370 nan 0.000 0.503 392 T N -4.197 110.333 114.554 -0.041 0.000 3.262 392 T HA 0.254 4.604 4.350 -0.001 0.000 0.300 392 T C 0.207 174.928 174.700 0.035 0.000 0.959 392 T CA -0.391 61.705 62.100 -0.007 0.000 0.936 392 T CB 0.426 69.315 68.868 0.036 0.000 1.169 392 T HN -0.190 nan 8.240 nan 0.000 0.532 393 T N 1.729 116.294 114.554 0.017 0.000 2.894 393 T HA 0.736 5.086 4.350 -0.001 0.000 0.309 393 T C -1.640 173.091 174.700 0.051 0.000 1.208 393 T CA -0.644 61.518 62.100 0.103 0.000 1.016 393 T CB 2.319 71.333 68.868 0.243 0.000 1.192 393 T HN 0.398 nan 8.240 nan 0.000 0.491 394 I N 1.274 121.941 120.570 0.161 0.000 2.692 394 I HA 0.742 4.912 4.170 -0.001 0.000 0.293 394 I C -1.606 174.680 176.117 0.280 0.000 1.200 394 I CA -0.684 60.732 61.300 0.193 0.000 1.036 394 I CB 1.410 39.527 38.000 0.195 0.000 1.258 394 I HN 0.877 nan 8.210 nan 0.000 0.421 395 A N 8.008 131.010 122.820 0.304 0.000 2.454 395 A HA 0.996 5.315 4.320 -0.001 0.000 0.302 395 A C -0.958 176.737 177.584 0.186 0.000 1.079 395 A CA -0.632 51.556 52.037 0.253 0.000 0.731 395 A CB 1.940 21.098 19.000 0.263 0.000 1.299 395 A HN 0.784 nan 8.150 nan 0.000 0.413 396 M N 0.503 120.174 119.600 0.120 0.000 2.578 396 M HA 0.716 5.195 4.480 -0.001 0.000 0.276 396 M C -0.956 175.357 176.300 0.023 0.000 1.245 396 M CA -0.704 54.634 55.300 0.064 0.000 0.871 396 M CB 2.139 34.805 32.600 0.111 0.000 1.722 396 M HN 0.715 nan 8.290 nan 0.000 0.473 397 R N 1.796 122.297 120.500 0.002 0.000 2.628 397 R HA 0.713 5.052 4.340 -0.001 0.000 0.288 397 R C -2.061 174.271 176.300 0.053 0.000 0.980 397 R CA -0.552 55.539 56.100 -0.016 0.000 0.891 397 R CB 2.431 32.639 30.300 -0.154 0.000 1.188 397 R HN 0.954 nan 8.270 nan 0.000 0.450 398 K N 2.585 122.935 120.400 -0.083 0.000 2.535 398 K HA 0.545 4.864 4.320 -0.001 0.000 0.251 398 K C -1.580 174.745 176.600 -0.458 0.000 0.942 398 K CA -0.115 56.001 56.287 -0.285 0.000 0.798 398 K CB 2.017 34.386 32.500 -0.219 0.000 1.267 398 K HN 0.911 nan 8.250 nan 0.000 0.434 399 G N 1.484 109.657 108.800 -1.044 0.000 2.528 399 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.681 399 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.681 399 G C -0.838 173.692 174.900 -0.616 0.000 1.340 399 G CA -0.939 43.880 45.100 -0.470 0.000 0.855 399 G HN 0.479 nan 8.290 nan 0.000 0.649 400 T N 2.190 116.667 114.554 -0.128 0.000 2.946 400 T HA 0.295 4.644 4.350 -0.001 0.000 0.311 400 T C 0.540 175.234 174.700 -0.010 0.000 1.063 400 T CA 0.485 62.604 62.100 0.032 0.000 1.139 400 T CB 0.331 69.257 68.868 0.097 0.000 0.994 400 T HN 0.571 nan 8.240 nan 0.000 0.547 401 D N 1.692 122.116 120.400 0.040 0.000 2.583 401 D HA 0.284 4.924 4.640 -0.001 0.000 0.232 401 D C 1.452 177.748 176.300 -0.007 0.000 1.128 401 D CA 1.825 55.828 54.000 0.005 0.000 0.859 401 D CB 0.045 40.873 40.800 0.046 0.000 1.169 401 D HN 0.856 nan 8.370 nan 0.000 0.481 402 G N 1.426 110.204 108.800 -0.037 0.000 2.241 402 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.244 402 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.244 402 G C 1.026 175.915 174.900 -0.019 0.000 0.998 402 G CA 0.399 45.495 45.100 -0.007 0.000 0.621 402 G HN 0.487 nan 8.290 nan 0.000 0.519 403 S N 1.024 116.717 115.700 -0.013 0.000 2.819 403 S HA 0.231 4.700 4.470 -0.001 0.000 0.249 403 S C 0.750 175.428 174.600 0.131 0.000 1.030 403 S CA 0.354 58.562 58.200 0.014 0.000 1.052 403 S CB 0.385 63.638 63.200 0.089 0.000 1.017 403 S HN 0.854 nan 8.310 nan 0.000 0.576 404 Q N 1.374 121.196 119.800 0.036 0.000 2.394 404 Q HA 0.296 4.635 4.340 -0.001 0.000 0.248 404 Q C -0.539 175.633 176.000 0.287 0.000 0.992 404 Q CA 0.255 56.086 55.803 0.046 0.000 0.888 404 Q CB 0.682 29.299 28.738 -0.202 0.000 1.257 404 Q HN 0.348 nan 8.270 nan 0.000 0.462 405 I N 2.004 122.758 120.570 0.306 0.000 2.336 405 I HA 0.266 4.435 4.170 -0.001 0.000 0.292 405 I C -0.645 175.592 176.117 0.201 0.000 0.991 405 I CA -1.052 60.447 61.300 0.332 0.000 1.227 405 I CB 1.789 39.954 38.000 0.275 0.000 1.366 405 I HN 0.378 nan 8.210 nan 0.000 0.466 406 V N 5.200 125.251 119.914 0.228 0.000 2.409 406 V HA 0.391 4.511 4.120 -0.001 0.000 0.291 406 V C -0.093 176.080 176.094 0.131 0.000 1.020 406 V CA -0.431 61.960 62.300 0.152 0.000 0.848 406 V CB 1.831 33.774 31.823 0.200 0.000 0.990 406 V HN 0.730 nan 8.190 nan 0.000 0.430 407 T N 6.174 120.791 114.554 0.105 0.000 2.807 407 T HA 0.726 5.075 4.350 -0.001 0.000 0.279 407 T C -0.518 174.258 174.700 0.127 0.000 0.993 407 T CA -0.219 61.943 62.100 0.103 0.000 0.970 407 T CB 1.304 70.228 68.868 0.093 0.000 0.950 407 T HN 0.326 nan 8.240 nan 0.000 0.441 408 I N 3.693 124.335 120.570 0.120 0.000 2.389 408 I HA 0.461 4.630 4.170 -0.001 0.000 0.288 408 I C -0.478 175.737 176.117 0.164 0.000 0.999 408 I CA -0.381 61.008 61.300 0.149 0.000 1.129 408 I CB 1.193 39.260 38.000 0.111 0.000 1.288 408 I HN 0.402 nan 8.210 nan 0.000 0.444 409 L N 4.552 125.914 121.223 0.232 0.000 2.341 409 L HA 0.782 5.122 4.340 -0.001 0.000 0.267 409 L C -0.125 176.938 176.870 0.321 0.000 1.009 409 L CA -0.621 54.391 54.840 0.286 0.000 0.819 409 L CB 2.161 44.464 42.059 0.408 0.000 1.323 409 L HN 0.597 nan 8.230 nan 0.000 0.425 410 S N 0.528 116.443 115.700 0.358 0.000 2.549 410 S HA 0.412 4.881 4.470 -0.001 0.000 0.280 410 S C -0.554 174.252 174.600 0.344 0.000 1.109 410 S CA -0.744 57.625 58.200 0.282 0.000 0.905 410 S CB 1.407 64.734 63.200 0.212 0.000 1.081 410 S HN 0.746 nan 8.310 nan 0.000 0.477 411 N N 2.959 121.766 118.700 0.179 0.000 2.389 411 N HA 0.214 4.953 4.740 -0.001 0.000 0.260 411 N C 0.355 175.943 175.510 0.130 0.000 1.191 411 N CA -0.482 52.669 53.050 0.168 0.000 0.885 411 N CB 0.078 38.548 38.487 -0.028 0.000 1.162 411 N HN 0.573 nan 8.380 nan 0.000 0.512 412 K N -0.077 120.408 120.400 0.142 0.000 2.288 412 K HA 0.134 4.453 4.320 -0.001 0.000 0.201 412 K C 0.790 177.459 176.600 0.114 0.000 1.048 412 K CA 0.682 57.040 56.287 0.119 0.000 0.956 412 K CB -0.179 32.406 32.500 0.143 0.000 0.746 412 K HN 0.437 nan 8.250 nan 0.000 0.461 413 G N 0.232 109.113 108.800 0.135 0.000 2.728 413 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.294 413 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.294 413 G C 0.422 175.383 174.900 0.102 0.000 1.342 413 G CA -0.328 44.847 45.100 0.125 0.000 0.866 413 G HN 0.190 nan 8.290 nan 0.000 0.534 414 A N -0.681 122.193 122.820 0.089 0.000 2.167 414 A HA 0.433 4.753 4.320 -0.001 0.000 0.214 414 A C 2.262 179.883 177.584 0.062 0.000 1.151 414 A CA 2.383 54.462 52.037 0.071 0.000 0.735 414 A CB -0.390 18.648 19.000 0.063 0.000 0.802 414 A HN 2.295 nan 8.150 nan 0.000 0.467 415 S N -0.574 115.165 115.700 0.065 0.000 2.574 415 S HA 0.418 4.888 4.470 -0.001 0.000 0.242 415 S C 0.891 175.531 174.600 0.067 0.000 0.982 415 S CA 0.118 58.353 58.200 0.058 0.000 0.977 415 S CB -0.435 62.795 63.200 0.050 0.000 0.814 415 S HN 0.574 nan 8.310 nan 0.000 0.464 416 G N 2.239 111.088 108.800 0.082 0.000 2.554 416 G HA2 0.339 4.299 3.960 -0.001 0.000 0.238 416 G HA3 0.339 4.299 3.960 -0.001 0.000 0.238 416 G C -0.195 174.775 174.900 0.116 0.000 1.259 416 G CA -0.383 44.781 45.100 0.106 0.000 0.843 416 G HN 0.581 nan 8.290 nan 0.000 0.582 417 D N 0.236 120.727 120.400 0.151 0.000 2.339 417 D HA 0.204 4.843 4.640 -0.001 0.000 0.245 417 D C 0.158 176.605 176.300 0.245 0.000 1.115 417 D CA -0.305 53.794 54.000 0.166 0.000 0.917 417 D CB 1.106 41.989 40.800 0.137 0.000 1.192 417 D HN 0.102 nan 8.370 nan 0.000 0.428 418 S N 0.507 116.307 115.700 0.166 0.000 2.580 418 S HA 0.534 5.004 4.470 -0.001 0.000 0.274 418 S C -0.480 174.263 174.600 0.239 0.000 1.329 418 S CA -0.407 57.863 58.200 0.117 0.000 1.036 418 S CB -0.025 63.207 63.200 0.055 0.000 0.919 418 S HN 0.642 nan 8.310 nan 0.000 0.515 419 Y N -1.478 118.831 120.300 0.015 0.000 3.010 419 Y HA 0.446 4.995 4.550 -0.001 0.000 0.399 419 Y C -1.465 174.441 175.900 0.010 0.000 1.189 419 Y CA -1.267 56.841 58.100 0.013 0.000 1.175 419 Y CB 0.337 38.807 38.460 0.017 0.000 1.619 419 Y HN 0.421 nan 8.280 nan 0.000 0.459 420 T N 2.869 117.526 114.554 0.172 0.000 2.841 420 T HA 0.612 4.961 4.350 -0.001 0.000 0.283 420 T C -1.692 173.110 174.700 0.170 0.000 1.000 420 T CA -0.502 61.616 62.100 0.029 0.000 0.977 420 T CB 1.570 70.455 68.868 0.028 0.000 0.979 420 T HN 0.786 nan 8.240 nan 0.000 0.446 421 L N 2.525 123.770 121.223 0.038 0.000 2.322 421 L HA 0.728 5.067 4.340 -0.001 0.000 0.281 421 L C -0.094 176.759 176.870 -0.028 0.000 1.014 421 L CA -0.221 54.663 54.840 0.074 0.000 0.815 421 L CB 1.954 44.053 42.059 0.067 0.000 1.247 421 L HN 0.598 nan 8.230 nan 0.000 0.421 422 S N 4.932 120.600 115.700 -0.053 0.000 2.410 422 S HA 0.512 4.982 4.470 -0.001 0.000 0.304 422 S C -0.729 173.770 174.600 -0.167 0.000 1.095 422 S CA -0.530 57.622 58.200 -0.080 0.000 1.089 422 S CB 0.169 63.341 63.200 -0.047 0.000 0.968 422 S HN 0.581 nan 8.310 nan 0.000 0.480 423 L N 6.536 127.670 121.223 -0.147 0.000 2.264 423 L HA 0.489 4.829 4.340 -0.001 0.000 0.287 423 L C 0.006 176.805 176.870 -0.119 0.000 1.039 423 L CA 0.012 54.735 54.840 -0.196 0.000 0.829 423 L CB 0.999 42.978 42.059 -0.133 0.000 1.211 423 L HN 0.683 nan 8.230 nan 0.000 0.427 424 S N 2.515 118.138 115.700 -0.128 0.000 2.537 424 S HA 0.758 5.228 4.470 -0.001 0.000 0.275 424 S C 0.924 175.484 174.600 -0.066 0.000 1.272 424 S CA 0.007 58.170 58.200 -0.062 0.000 1.050 424 S CB 1.457 64.641 63.200 -0.027 0.000 0.961 424 S HN 1.253 nan 8.310 nan 0.000 0.496 425 G N 1.578 110.331 108.800 -0.077 0.000 2.255 425 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.196 425 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.196 425 G C 0.988 175.739 174.900 -0.248 0.000 0.998 425 G CA 0.064 45.068 45.100 -0.161 0.000 0.656 425 G HN 1.360 nan 8.290 nan 0.000 0.490 426 A N 0.501 123.228 122.820 -0.155 0.000 1.986 426 A HA 0.374 4.694 4.320 -0.001 0.000 0.220 426 A C 2.945 180.318 177.584 -0.352 0.000 1.171 426 A CA 2.744 54.673 52.037 -0.180 0.000 0.640 426 A CB -0.879 18.172 19.000 0.085 0.000 0.811 426 A HN 2.552 nan 8.150 nan 0.000 0.451 427 G N -3.172 105.503 108.800 -0.209 0.000 2.160 427 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 427 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 427 G C -0.117 174.641 174.900 -0.237 0.000 1.022 427 G CA 0.376 45.364 45.100 -0.186 0.000 0.741 427 G HN 0.489 nan 8.290 nan 0.000 0.508 428 Y N 0.986 121.268 120.300 -0.030 0.000 2.301 428 Y HA 0.526 5.075 4.550 -0.001 0.000 0.325 428 Y C 1.543 177.429 175.900 -0.024 0.000 1.203 428 Y CA -0.038 58.042 58.100 -0.034 0.000 1.255 428 Y CB 0.953 39.385 38.460 -0.046 0.000 1.232 428 Y HN 0.303 nan 8.280 nan 0.000 0.501 429 T N -0.100 114.544 114.554 0.150 0.000 2.901 429 T HA 0.533 4.883 4.350 -0.001 0.000 0.301 429 T C 0.313 175.049 174.700 0.060 0.000 1.012 429 T CA -0.881 61.264 62.100 0.076 0.000 1.135 429 T CB 0.583 69.482 68.868 0.051 0.000 0.936 429 T HN 0.850 nan 8.240 nan 0.000 0.539 430 A N 2.310 125.153 122.820 0.038 0.000 2.531 430 A HA 0.505 4.824 4.320 -0.001 0.000 0.236 430 A C 1.768 179.356 177.584 0.008 0.000 1.062 430 A CA 0.140 52.190 52.037 0.022 0.000 0.760 430 A CB -1.248 17.762 19.000 0.016 0.000 0.995 430 A HN 2.395 nan 8.150 nan 0.000 0.501 431 G N 0.451 109.249 108.800 -0.004 0.000 2.189 431 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.267 431 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.267 431 G C 0.453 175.336 174.900 -0.028 0.000 0.975 431 G CA 0.826 45.916 45.100 -0.016 0.000 0.644 431 G HN 1.207 nan 8.290 nan 0.000 0.537 432 Q N 0.273 120.057 119.800 -0.027 0.000 2.361 432 Q HA 0.343 4.682 4.340 -0.001 0.000 0.276 432 Q C 0.397 176.337 176.000 -0.099 0.000 1.022 432 Q CA 0.037 55.809 55.803 -0.052 0.000 0.898 432 Q CB 0.308 29.027 28.738 -0.032 0.000 1.246 432 Q HN 0.514 nan 8.270 nan 0.000 0.410 433 Q N 3.874 123.611 119.800 -0.106 0.000 2.278 433 Q HA 0.397 4.737 4.340 -0.001 0.000 0.257 433 Q C -1.399 174.494 176.000 -0.178 0.000 0.928 433 Q CA -0.364 55.366 55.803 -0.121 0.000 0.932 433 Q CB 0.714 29.401 28.738 -0.085 0.000 1.221 433 Q HN 0.614 nan 8.270 nan 0.000 0.434 434 L N 2.511 123.608 121.223 -0.210 0.000 2.342 434 L HA 0.540 4.879 4.340 -0.001 0.000 0.271 434 L C -0.247 176.533 176.870 -0.150 0.000 1.008 434 L CA -0.865 53.821 54.840 -0.258 0.000 0.818 434 L CB 2.251 44.067 42.059 -0.406 0.000 1.296 434 L HN 0.582 nan 8.230 nan 0.000 0.427 435 T N 0.770 115.263 114.554 -0.102 0.000 2.837 435 T HA 0.196 4.545 4.350 -0.001 0.000 0.285 435 T C -0.218 174.459 174.700 -0.038 0.000 0.984 435 T CA -0.467 61.599 62.100 -0.056 0.000 1.049 435 T CB 1.678 70.529 68.868 -0.028 0.000 0.947 435 T HN 0.359 nan 8.240 nan 0.000 0.472 436 E N 2.992 123.166 120.200 -0.042 0.000 2.046 436 E HA 0.182 4.531 4.350 -0.001 0.000 0.279 436 E C 0.912 177.492 176.600 -0.033 0.000 0.989 436 E CA -0.433 55.948 56.400 -0.032 0.000 0.798 436 E CB 0.964 30.642 29.700 -0.038 0.000 1.086 436 E HN 0.534 nan 8.360 nan 0.000 0.399 437 V N 2.871 122.767 119.914 -0.031 0.000 3.541 437 V HA -0.007 4.112 4.120 -0.001 0.000 0.267 437 V C 1.569 177.627 176.094 -0.060 0.000 1.213 437 V CA 0.198 62.466 62.300 -0.054 0.000 1.149 437 V CB -0.451 31.327 31.823 -0.075 0.000 0.822 437 V HN 0.469 nan 8.190 nan 0.000 0.462 438 I N 2.516 123.059 120.570 -0.046 0.000 2.260 438 I HA 0.154 4.324 4.170 -0.001 0.000 0.237 438 I C 2.603 178.696 176.117 -0.039 0.000 1.075 438 I CA 1.919 63.192 61.300 -0.045 0.000 1.376 438 I CB -1.727 36.252 38.000 -0.036 0.000 1.107 438 I HN 0.413 nan 8.210 nan 0.000 0.420 439 G N -0.950 107.829 108.800 -0.034 0.000 2.813 439 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.209 439 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.209 439 G C 0.846 175.725 174.900 -0.035 0.000 1.150 439 G CA 0.428 45.509 45.100 -0.032 0.000 0.785 439 G HN 0.508 nan 8.290 nan 0.000 0.535 440 c N 1.254 119.829 118.600 -0.040 0.000 4.354 440 c HA -0.111 4.458 4.570 -0.001 0.000 0.307 440 c C 1.187 175.253 174.090 -0.041 0.000 1.318 440 c CA 0.471 56.773 56.329 -0.044 0.000 2.060 440 c CB -2.831 39.652 42.510 -0.045 0.000 1.283 440 c HN 0.862 nan 8.230 nan 0.000 0.723 441 T N -1.530 112.999 114.554 -0.042 0.000 2.905 441 T HA 0.876 5.225 4.350 -0.001 0.000 0.283 441 T C -0.075 174.596 174.700 -0.049 0.000 1.031 441 T CA 0.251 62.326 62.100 -0.043 0.000 1.002 441 T CB 2.102 70.945 68.868 -0.042 0.000 1.200 441 T HN 0.723 nan 8.240 nan 0.000 0.560 442 T N -1.025 113.498 114.554 -0.051 0.000 2.924 442 T HA 0.770 5.120 4.350 -0.001 0.000 0.291 442 T C -0.206 174.455 174.700 -0.065 0.000 1.045 442 T CA -0.670 61.393 62.100 -0.061 0.000 1.015 442 T CB 1.282 70.114 68.868 -0.059 0.000 1.103 442 T HN 1.485 nan 8.240 nan 0.000 0.496 443 V N -1.858 118.007 119.914 -0.082 0.000 3.049 443 V HA 0.856 4.975 4.120 -0.001 0.000 0.309 443 V C -0.657 175.379 176.094 -0.096 0.000 1.148 443 V CA -0.881 61.370 62.300 -0.081 0.000 0.990 443 V CB 1.734 33.508 31.823 -0.082 0.000 1.039 443 V HN 1.034 nan 8.190 nan 0.000 0.430 444 T N 2.154 116.662 114.554 -0.078 0.000 2.823 444 T HA 0.613 4.963 4.350 -0.001 0.000 0.279 444 T C -0.095 174.564 174.700 -0.068 0.000 0.998 444 T CA -0.399 61.656 62.100 -0.075 0.000 0.994 444 T CB 1.556 70.392 68.868 -0.053 0.000 0.960 444 T HN 0.798 nan 8.240 nan 0.000 0.448 445 V N 2.980 122.852 119.914 -0.070 0.000 2.655 445 V HA 0.359 4.478 4.120 -0.001 0.000 0.300 445 V C 1.402 177.484 176.094 -0.020 0.000 1.044 445 V CA -0.417 61.860 62.300 -0.038 0.000 1.095 445 V CB 0.387 32.205 31.823 -0.009 0.000 0.952 445 V HN 1.034 nan 8.190 nan 0.000 0.485 446 G N 3.121 111.913 108.800 -0.012 0.000 2.684 446 G HA2 0.252 4.211 3.960 -0.001 0.000 0.255 446 G HA3 0.252 4.211 3.960 -0.001 0.000 0.255 446 G C 0.962 175.862 174.900 -0.001 0.000 1.219 446 G CA 0.095 45.190 45.100 -0.008 0.000 0.901 446 G HN 0.743 nan 8.290 nan 0.000 0.548 447 S N 0.117 115.817 115.700 -0.001 0.000 2.414 447 S HA -0.079 4.391 4.470 -0.001 0.000 0.227 447 S C 1.842 176.446 174.600 0.006 0.000 1.022 447 S CA 1.168 59.370 58.200 0.003 0.000 0.958 447 S CB -0.115 63.086 63.200 0.002 0.000 0.797 447 S HN 0.798 nan 8.310 nan 0.000 0.493 448 D N 1.069 121.471 120.400 0.004 0.000 2.403 448 D HA 0.115 4.755 4.640 -0.001 0.000 0.227 448 D C 1.427 177.732 176.300 0.008 0.000 0.995 448 D CA 0.891 54.894 54.000 0.005 0.000 0.928 448 D CB -0.812 39.989 40.800 0.002 0.000 0.887 448 D HN 0.433 nan 8.370 nan 0.000 0.529 449 G N 0.032 108.839 108.800 0.011 0.000 2.579 449 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.222 449 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.222 449 G C 0.413 175.323 174.900 0.017 0.000 1.201 449 G CA 0.013 45.124 45.100 0.018 0.000 0.710 449 G HN 0.469 nan 8.290 nan 0.000 0.516 450 N N 0.491 119.192 118.700 0.002 0.000 2.265 450 N HA 0.348 5.087 4.740 -0.001 0.000 0.231 450 N C 0.152 175.658 175.510 -0.008 0.000 1.266 450 N CA 0.728 53.771 53.050 -0.011 0.000 0.862 450 N CB 0.716 39.188 38.487 -0.025 0.000 1.100 450 N HN 0.493 nan 8.380 nan 0.000 0.439 451 V N 2.523 122.426 119.914 -0.018 0.000 2.417 451 V HA 0.356 4.476 4.120 -0.001 0.000 0.291 451 V C -2.190 173.880 176.094 -0.041 0.000 1.024 451 V CA -1.568 60.718 62.300 -0.024 0.000 0.861 451 V CB 1.779 33.597 31.823 -0.008 0.000 0.985 451 V HN 0.613 nan 8.190 nan 0.000 0.436 452 P HA 0.218 nan 4.420 nan 0.000 0.266 452 P C -0.516 176.751 177.300 -0.054 0.000 1.586 452 P CA -0.144 62.931 63.100 -0.041 0.000 1.088 452 P CB 0.537 32.216 31.700 -0.034 0.000 1.584 453 V N 6.805 126.682 119.914 -0.062 0.000 2.368 453 V HA 0.225 4.344 4.120 -0.001 0.000 0.266 453 V C -1.994 174.026 176.094 -0.122 0.000 1.045 453 V CA -1.936 60.317 62.300 -0.078 0.000 0.899 453 V CB 0.940 32.723 31.823 -0.067 0.000 1.006 453 V HN 0.340 nan 8.190 nan 0.000 0.470 454 P HA 0.261 nan 4.420 nan 0.000 0.276 454 P C -0.506 176.664 177.300 -0.217 0.000 1.253 454 P CA 0.050 63.058 63.100 -0.155 0.000 0.766 454 P CB 0.402 32.043 31.700 -0.098 0.000 0.845 455 M N 2.964 122.326 119.600 -0.397 0.000 2.227 455 M HA 0.723 5.203 4.480 -0.001 0.000 0.335 455 M C -0.268 175.843 176.300 -0.315 0.000 1.053 455 M CA -0.551 54.480 55.300 -0.449 0.000 0.973 455 M CB 1.923 33.973 32.600 -0.917 0.000 1.623 455 M HN 0.324 nan 8.290 nan 0.000 0.434 456 A N 1.385 124.125 122.820 -0.133 0.000 2.547 456 A HA 0.698 5.017 4.320 -0.001 0.000 0.297 456 A C 0.452 178.040 177.584 0.006 0.000 1.056 456 A CA -0.051 51.961 52.037 -0.041 0.000 0.688 456 A CB 1.147 20.125 19.000 -0.035 0.000 1.282 456 A HN 1.197 nan 8.150 nan 0.000 0.400 457 G N 0.530 109.354 108.800 0.040 0.000 2.321 457 G HA2 0.145 4.105 3.960 -0.001 0.000 0.287 457 G HA3 0.145 4.105 3.960 -0.001 0.000 0.287 457 G C 1.766 176.703 174.900 0.061 0.000 1.018 457 G CA 1.465 46.594 45.100 0.049 0.000 0.855 457 G HN 2.879 nan 8.290 nan 0.000 0.507 458 G N -1.627 107.221 108.800 0.081 0.000 2.269 458 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.277 458 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.277 458 G C 0.592 175.543 174.900 0.086 0.000 1.008 458 G CA 0.773 45.936 45.100 0.104 0.000 0.774 458 G HN 1.303 nan 8.290 nan 0.000 0.511 459 L N 0.455 121.708 121.223 0.049 0.000 2.439 459 L HA 0.328 4.668 4.340 -0.001 0.000 0.269 459 L C -1.512 175.380 176.870 0.037 0.000 1.179 459 L CA -1.913 52.946 54.840 0.032 0.000 0.828 459 L CB 0.530 42.594 42.059 0.008 0.000 1.106 459 L HN -0.060 nan 8.230 nan 0.000 0.467 460 P HA 0.225 nan 4.420 nan 0.000 0.275 460 P C -1.203 176.107 177.300 0.018 0.000 1.228 460 P CA -0.371 62.748 63.100 0.031 0.000 0.786 460 P CB 0.694 32.395 31.700 0.001 0.000 0.927 461 R N 1.610 122.128 120.500 0.031 0.000 2.561 461 R HA 0.585 4.925 4.340 -0.001 0.000 0.297 461 R C -1.343 174.974 176.300 0.029 0.000 0.969 461 R CA -0.903 55.207 56.100 0.016 0.000 0.879 461 R CB 1.461 31.765 30.300 0.007 0.000 1.178 461 R HN 0.196 nan 8.270 nan 0.000 0.445 462 V N 4.946 124.870 119.914 0.017 0.000 2.409 462 V HA 0.424 4.543 4.120 -0.001 0.000 0.290 462 V C -0.016 176.104 176.094 0.043 0.000 1.017 462 V CA -0.720 61.600 62.300 0.033 0.000 0.841 462 V CB 1.756 33.584 31.823 0.007 0.000 1.003 462 V HN 0.505 nan 8.190 nan 0.000 0.426 463 L N 4.906 126.178 121.223 0.081 0.000 2.343 463 L HA 0.697 5.036 4.340 -0.001 0.000 0.275 463 L C -0.920 176.068 176.870 0.197 0.000 1.056 463 L CA -0.712 54.170 54.840 0.071 0.000 0.804 463 L CB 1.473 43.547 42.059 0.024 0.000 1.203 463 L HN 0.650 nan 8.230 nan 0.000 0.440 464 Y N 2.861 123.127 120.300 -0.056 0.000 2.474 464 Y HA 0.308 4.857 4.550 -0.001 0.000 0.326 464 Y C -2.638 173.217 175.900 -0.076 0.000 1.160 464 Y CA -2.018 56.084 58.100 0.003 0.000 1.056 464 Y CB 2.179 40.650 38.460 0.018 0.000 1.330 464 Y HN 0.345 nan 8.280 nan 0.000 0.447 465 P HA -0.002 nan 4.420 nan 0.000 0.255 465 P C 0.549 177.693 177.300 -0.261 0.000 1.173 465 P CA 0.985 63.850 63.100 -0.392 0.000 0.780 465 P CB 0.641 32.120 31.700 -0.369 0.000 0.758 466 T N 2.767 117.226 114.554 -0.159 0.000 2.699 466 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 466 T C 1.545 176.211 174.700 -0.057 0.000 1.036 466 T CA 1.733 63.784 62.100 -0.082 0.000 1.147 466 T CB -0.388 68.431 68.868 -0.081 0.000 0.862 466 T HN 0.580 nan 8.240 nan 0.000 0.446 467 E N 1.305 121.464 120.200 -0.067 0.000 2.153 467 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 467 E C 1.865 178.461 176.600 -0.006 0.000 0.988 467 E CA 0.876 57.254 56.400 -0.036 0.000 0.811 467 E CB -0.200 29.478 29.700 -0.037 0.000 0.746 467 E HN 0.286 nan 8.360 nan 0.000 0.466 468 K N 0.765 121.148 120.400 -0.029 0.000 2.288 468 K HA 0.035 4.355 4.320 -0.001 0.000 0.201 468 K C 2.137 178.894 176.600 0.262 0.000 1.048 468 K CA 0.477 56.806 56.287 0.069 0.000 0.956 468 K CB -0.088 32.346 32.500 -0.109 0.000 0.746 468 K HN 0.303 nan 8.250 nan 0.000 0.461 469 L N 1.252 122.566 121.223 0.151 0.000 2.610 469 L HA 0.048 4.387 4.340 -0.001 0.000 0.232 469 L C 0.780 177.629 176.870 -0.035 0.000 1.149 469 L CA -0.372 54.470 54.840 0.004 0.000 0.872 469 L CB -0.427 41.598 42.059 -0.057 0.000 0.992 469 L HN -0.064 nan 8.230 nan 0.000 0.447 470 A N 0.482 123.329 122.820 0.046 0.000 2.561 470 A HA 0.311 4.630 4.320 -0.001 0.000 0.251 470 A C 1.474 179.091 177.584 0.055 0.000 1.062 470 A CA 0.844 52.900 52.037 0.032 0.000 0.761 470 A CB -0.455 18.568 19.000 0.039 0.000 0.986 470 A HN 0.610 nan 8.150 nan 0.000 0.510 471 G N 1.666 110.474 108.800 0.013 0.000 2.199 471 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.254 471 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.254 471 G C 0.651 175.561 174.900 0.017 0.000 0.982 471 G CA 0.935 46.051 45.100 0.026 0.000 0.632 471 G HN 2.230 nan 8.290 nan 0.000 0.529 472 S N -0.431 115.228 115.700 -0.068 0.000 2.617 472 S HA 0.600 5.070 4.470 -0.001 0.000 0.269 472 S C 1.012 175.517 174.600 -0.159 0.000 1.292 472 S CA 0.274 58.359 58.200 -0.192 0.000 1.010 472 S CB 1.455 64.185 63.200 -0.783 0.000 0.944 472 S HN 0.330 nan 8.310 nan 0.000 0.536 473 K N 0.740 121.058 120.400 -0.136 0.000 2.487 473 K HA 0.252 4.571 4.320 -0.001 0.000 0.192 473 K C -0.235 176.283 176.600 -0.135 0.000 1.027 473 K CA 0.144 56.368 56.287 -0.105 0.000 1.054 473 K CB -0.399 32.059 32.500 -0.071 0.000 0.824 473 K HN 0.597 nan 8.250 nan 0.000 0.510 474 I N 1.198 121.642 120.570 -0.210 0.000 2.452 474 I HA -0.061 4.109 4.170 -0.001 0.000 0.287 474 I C 0.264 176.291 176.117 -0.150 0.000 1.079 474 I CA -0.191 60.987 61.300 -0.204 0.000 1.387 474 I CB 0.459 38.279 38.000 -0.301 0.000 1.404 474 I HN 0.239 nan 8.210 nan 0.000 0.522 475 c N 4.665 123.199 118.600 -0.110 0.000 3.630 475 c HA -0.148 4.422 4.570 -0.001 0.000 0.297 475 c C 0.918 174.965 174.090 -0.072 0.000 1.219 475 c CA 0.025 56.304 56.329 -0.083 0.000 2.284 475 c CB -2.942 39.520 42.510 -0.080 0.000 1.430 475 c HN 0.894 nan 8.230 nan 0.000 0.573 476 S N 0.000 115.662 115.700 -0.064 0.000 2.498 476 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 476 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 476 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 476 S HN 0.000 nan 8.310 nan 0.000 0.517