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 1w1p_1_B DATA FIRST_RESID 2 DATA SEQUENCE STRKAVIGYY FIPTNQINNY TETDTSVVPF PVSNITPAKA KQLTHINFSF DATA SEQUENCE LDINSNLECA WDPATNDAKA RDVVNRLTAL KAHNPSLRIM FSIGGWYYSN DATA SEQUENCE DLGVSHANYV NAVKTPASRA KFAQSCVRIM KDYGFDGVDI DWEYPQAAEV DATA SEQUENCE DGFIAALQEI RTLLNQQTIT DGRQALPYQL TIAGAGGAFF LSRYYSKLAQ DATA SEQUENCE IVAPLDYINL MTYDLAGPWE KVTNHQAALF GDAAGPTFYN ALREANLGWS DATA SEQUENCE WEELTRAFPS PFSLTVDAAV QQHLMMEGVP SAKIVMGVPF YGRAFKGVSG DATA SEQUENCE GNGGQYSSHS TPGEDPYPST DYWLVGCEEC VRDKDPRIAS YRQLEQMLQG DATA SEQUENCE NYGYQRLWND KTKTPYLYHA QNGLFVTYDD AESFKYKAKY IKQQQLGGVM DATA SEQUENCE FWHLGQDNRN GDLLAALDRY FNAADYDDSQ LDMGTGLRYT GVGPGNLPIM DATA SEQUENCE TAPAYVPGTT YAQGALVSYQ GYVWQTKWGY ITSAPGSDSA WLKVGRVA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.622 174.600 0.036 0.000 1.055 2 S CA 0.000 58.223 58.200 0.038 0.000 1.107 2 S CB 0.000 63.219 63.200 0.032 0.000 0.593 3 T N 3.513 118.086 114.554 0.031 0.000 2.905 3 T HA 0.222 4.572 4.350 0.000 0.000 0.299 3 T C 0.379 175.092 174.700 0.022 0.000 1.024 3 T CA 0.314 62.433 62.100 0.032 0.000 1.151 3 T CB -0.197 68.693 68.868 0.038 0.000 0.987 3 T HN 0.611 nan 8.240 nan 0.000 0.535 4 R N 2.435 122.952 120.500 0.028 0.000 2.583 4 R HA -0.004 4.336 4.340 0.000 0.000 0.274 4 R C 0.043 176.317 176.300 -0.044 0.000 0.998 4 R CA -0.065 56.042 56.100 0.012 0.000 1.081 4 R CB 0.338 30.660 30.300 0.037 0.000 0.940 4 R HN 0.331 nan 8.270 nan 0.000 0.413 5 K N 2.563 122.861 120.400 -0.169 0.000 2.298 5 K HA 0.183 4.503 4.320 0.000 0.000 0.280 5 K C -0.244 176.206 176.600 -0.250 0.000 1.032 5 K CA -0.108 55.961 56.287 -0.363 0.000 0.958 5 K CB 1.482 33.363 32.500 -1.032 0.000 0.978 5 K HN 0.718 nan 8.250 nan 0.000 0.472 6 A N 1.908 124.592 122.820 -0.228 0.000 2.386 6 A HA 0.356 4.676 4.320 0.000 0.000 0.248 6 A C -0.357 177.169 177.584 -0.096 0.000 1.082 6 A CA -0.393 51.549 52.037 -0.157 0.000 0.789 6 A CB 0.427 19.151 19.000 -0.459 0.000 1.025 6 A HN 0.356 nan 8.150 nan 0.000 0.490 7 V N 3.711 123.653 119.914 0.047 0.000 2.439 7 V HA 0.245 4.365 4.120 0.000 0.000 0.277 7 V C -0.643 175.510 176.094 0.099 0.000 1.008 7 V CA 0.048 62.432 62.300 0.140 0.000 0.846 7 V CB 0.798 32.764 31.823 0.238 0.000 1.031 7 V HN 0.696 nan 8.190 nan 0.000 0.441 8 I N 4.098 124.645 120.570 -0.038 0.000 2.306 8 I HA 0.602 4.772 4.170 0.000 0.000 0.288 8 I C 0.866 176.657 176.117 -0.543 0.000 1.036 8 I CA -0.150 61.038 61.300 -0.188 0.000 1.221 8 I CB 1.503 39.358 38.000 -0.242 0.000 1.385 8 I HN 0.639 nan 8.210 nan 0.000 0.472 9 G N 5.390 113.794 108.800 -0.660 0.000 2.416 9 G HA2 0.481 4.442 3.960 0.000 0.000 0.324 9 G HA3 0.481 4.442 3.960 0.000 0.000 0.324 9 G C -1.175 173.389 174.900 -0.560 0.000 1.194 9 G CA -0.348 43.991 45.100 -1.268 0.000 0.922 9 G HN 0.339 nan 8.290 nan 0.000 0.467 10 Y N 0.967 120.983 120.300 -0.473 0.000 2.377 10 Y HA 0.242 4.792 4.550 0.000 0.000 0.330 10 Y C -0.197 175.606 175.900 -0.161 0.000 1.108 10 Y CA 0.254 58.233 58.100 -0.202 0.000 1.308 10 Y CB 1.149 39.532 38.460 -0.128 0.000 1.216 10 Y HN 0.528 nan 8.280 nan 0.000 0.518 11 Y N 6.091 126.369 120.300 -0.037 0.000 2.478 11 Y HA 0.340 4.891 4.550 0.000 0.000 0.329 11 Y C -1.613 174.201 175.900 -0.143 0.000 0.967 11 Y CA -1.597 56.512 58.100 0.015 0.000 1.255 11 Y CB 0.136 38.680 38.460 0.140 0.000 1.103 11 Y HN 0.504 nan 8.280 nan 0.000 0.497 12 F N 8.349 127.793 119.950 -0.843 0.000 2.411 12 F HA 0.594 5.121 4.527 0.000 0.000 0.352 12 F C -1.415 174.003 175.800 -0.637 0.000 1.123 12 F CA -1.458 56.082 58.000 -0.766 0.000 1.044 12 F CB 0.616 39.075 39.000 -0.900 0.000 1.135 12 F HN 0.449 nan 8.300 nan 0.000 0.461 13 I N 8.928 128.769 120.570 -1.216 0.000 2.478 13 I HA 0.452 4.622 4.170 0.000 0.000 0.287 13 I C -2.623 173.014 176.117 -0.801 0.000 1.042 13 I CA -2.563 58.242 61.300 -0.826 0.000 1.067 13 I CB 2.048 39.960 38.000 -0.145 0.000 1.233 13 I HN 0.429 nan 8.210 nan 0.000 0.431 14 P HA 0.210 nan 4.420 nan 0.000 0.272 14 P C 0.519 177.788 177.300 -0.052 0.000 1.223 14 P CA -0.223 62.697 63.100 -0.300 0.000 0.784 14 P CB 0.694 32.298 31.700 -0.159 0.000 0.923 15 T N 0.471 115.065 114.554 0.066 0.000 2.699 15 T HA -0.183 4.167 4.350 0.000 0.000 0.268 15 T C 1.511 176.268 174.700 0.095 0.000 1.036 15 T CA 1.897 64.078 62.100 0.135 0.000 1.147 15 T CB -0.832 68.144 68.868 0.180 0.000 0.862 15 T HN 0.622 nan 8.240 nan 0.000 0.446 16 N N 1.572 120.310 118.700 0.063 0.000 2.289 16 N HA -0.154 4.587 4.740 0.000 0.000 0.184 16 N C 1.713 177.259 175.510 0.059 0.000 1.016 16 N CA 1.151 54.234 53.050 0.055 0.000 0.872 16 N CB -0.439 38.072 38.487 0.038 0.000 0.973 16 N HN 0.495 nan 8.380 nan 0.000 0.433 17 Q N 0.247 120.079 119.800 0.054 0.000 2.123 17 Q HA 0.141 4.481 4.340 0.000 0.000 0.199 17 Q C 2.291 178.396 176.000 0.175 0.000 0.966 17 Q CA 0.732 56.586 55.803 0.085 0.000 0.845 17 Q CB 0.066 28.835 28.738 0.050 0.000 0.907 17 Q HN 0.408 nan 8.270 nan 0.000 0.439 18 I N 1.375 122.045 120.570 0.166 0.000 2.179 18 I HA -0.296 3.875 4.170 0.000 0.000 0.242 18 I C 1.564 177.769 176.117 0.145 0.000 1.088 18 I CA 0.913 62.324 61.300 0.185 0.000 1.357 18 I CB -0.283 37.813 38.000 0.160 0.000 1.051 18 I HN 0.206 nan 8.210 nan 0.000 0.409 19 N N 0.939 119.701 118.700 0.102 0.000 2.364 19 N HA -0.122 4.618 4.740 0.000 0.000 0.183 19 N C 0.738 176.295 175.510 0.078 0.000 1.022 19 N CA 0.984 54.076 53.050 0.071 0.000 0.883 19 N CB -0.278 38.242 38.487 0.056 0.000 0.965 19 N HN 0.391 nan 8.380 nan 0.000 0.438 20 N N -0.388 118.369 118.700 0.095 0.000 2.351 20 N HA -0.025 4.715 4.740 0.000 0.000 0.254 20 N C -0.727 174.830 175.510 0.078 0.000 1.241 20 N CA -0.306 52.785 53.050 0.068 0.000 0.883 20 N CB 0.253 38.762 38.487 0.038 0.000 1.202 20 N HN 0.188 nan 8.380 nan 0.000 0.512 21 Y N 2.229 122.541 120.300 0.020 0.000 2.805 21 Y HA -0.027 4.523 4.550 0.000 0.000 0.331 21 Y C 0.553 176.462 175.900 0.016 0.000 1.241 21 Y CA 0.943 59.059 58.100 0.027 0.000 1.546 21 Y CB 0.380 38.861 38.460 0.035 0.000 1.248 21 Y HN -0.101 nan 8.280 nan 0.000 0.559 22 T N 5.410 119.541 114.554 -0.706 0.000 2.982 22 T HA 0.288 4.638 4.350 0.000 0.000 0.321 22 T C -0.457 173.905 174.700 -0.563 0.000 1.229 22 T CA -0.739 61.084 62.100 -0.461 0.000 1.044 22 T CB 1.049 69.795 68.868 -0.204 0.000 1.184 22 T HN 0.745 nan 8.240 nan 0.000 0.477 23 E N 2.140 122.136 120.200 -0.340 0.000 2.496 23 E HA 0.153 4.503 4.350 0.000 0.000 0.200 23 E C 0.445 176.970 176.600 -0.125 0.000 1.016 23 E CA -0.024 56.241 56.400 -0.225 0.000 0.962 23 E CB 0.490 30.125 29.700 -0.109 0.000 1.071 23 E HN 0.713 nan 8.360 nan 0.000 0.457 24 T N -2.235 112.249 114.554 -0.117 0.000 3.460 24 T HA 0.147 4.497 4.350 0.000 0.000 0.304 24 T C -0.344 174.318 174.700 -0.062 0.000 0.991 24 T CA -0.569 61.489 62.100 -0.070 0.000 0.975 24 T CB 0.321 69.159 68.868 -0.051 0.000 1.196 24 T HN -0.134 nan 8.240 nan 0.000 0.490 25 D N 1.546 121.901 120.400 -0.076 0.000 2.351 25 D HA 0.157 4.798 4.640 0.000 0.000 0.235 25 D C 1.175 177.444 176.300 -0.051 0.000 1.331 25 D CA -0.043 53.924 54.000 -0.055 0.000 0.959 25 D CB 1.547 42.315 40.800 -0.054 0.000 1.432 25 D HN 0.187 nan 8.370 nan 0.000 0.544 26 T N -0.915 113.621 114.554 -0.029 0.000 3.051 26 T HA -0.124 4.226 4.350 0.000 0.000 0.269 26 T C 1.691 176.387 174.700 -0.007 0.000 1.127 26 T CA 1.304 63.398 62.100 -0.010 0.000 1.107 26 T CB -0.045 68.829 68.868 0.010 0.000 0.898 26 T HN 0.212 nan 8.240 nan 0.000 0.517 27 S N 0.208 115.899 115.700 -0.014 0.000 2.489 27 S HA 0.070 4.540 4.470 0.000 0.000 0.228 27 S C 1.734 176.326 174.600 -0.013 0.000 0.995 27 S CA 0.369 58.561 58.200 -0.012 0.000 0.934 27 S CB -0.375 62.818 63.200 -0.012 0.000 0.771 27 S HN 0.398 nan 8.310 nan 0.000 0.522 28 V N 0.449 120.350 119.914 -0.022 0.000 2.627 28 V HA 0.310 4.431 4.120 0.000 0.000 0.239 28 V C 0.513 176.594 176.094 -0.021 0.000 1.077 28 V CA 0.436 62.722 62.300 -0.022 0.000 1.103 28 V CB 0.341 32.142 31.823 -0.036 0.000 0.802 28 V HN 0.395 nan 8.190 nan 0.000 0.482 29 V N 1.887 121.775 119.914 -0.044 0.000 2.305 29 V HA 0.298 4.418 4.120 0.000 0.000 0.275 29 V C -1.854 174.245 176.094 0.007 0.000 1.020 29 V CA -0.961 61.322 62.300 -0.029 0.000 0.811 29 V CB 1.218 32.966 31.823 -0.125 0.000 1.031 29 V HN 0.296 nan 8.190 nan 0.000 0.439 30 P HA -0.109 nan 4.420 nan 0.000 0.216 30 P C 0.238 177.664 177.300 0.210 0.000 1.150 30 P CA 1.281 64.442 63.100 0.102 0.000 0.837 30 P CB 0.185 31.944 31.700 0.098 0.000 0.786 31 F N 0.871 120.852 119.950 0.053 0.000 2.564 31 F HA 0.399 4.926 4.527 0.000 0.000 0.361 31 F C -2.591 173.345 175.800 0.227 0.000 1.161 31 F CA -3.242 54.826 58.000 0.114 0.000 1.198 31 F CB 0.656 39.716 39.000 0.100 0.000 1.424 31 F HN -0.172 nan 8.300 nan 0.000 0.517 32 P HA 0.058 nan 4.420 nan 0.000 0.274 32 P C 0.968 178.212 177.300 -0.094 0.000 1.237 32 P CA -0.064 63.050 63.100 0.024 0.000 0.793 32 P CB 1.963 33.606 31.700 -0.095 0.000 0.977 33 V N 1.326 121.310 119.914 0.116 0.000 2.720 33 V HA -0.213 3.907 4.120 0.000 0.000 0.256 33 V C 2.523 178.563 176.094 -0.091 0.000 1.082 33 V CA 2.556 64.798 62.300 -0.096 0.000 1.101 33 V CB -1.629 30.104 31.823 -0.150 0.000 0.693 33 V HN 0.728 nan 8.190 nan 0.000 0.479 34 S N -0.193 115.483 115.700 -0.040 0.000 2.507 34 S HA -0.164 4.306 4.470 0.000 0.000 0.235 34 S C 1.492 176.047 174.600 -0.075 0.000 0.988 34 S CA 1.438 59.616 58.200 -0.036 0.000 0.944 34 S CB -0.827 62.365 63.200 -0.014 0.000 0.762 34 S HN 0.760 nan 8.310 nan 0.000 0.526 35 N N 0.628 119.217 118.700 -0.185 0.000 2.457 35 N HA 0.201 4.942 4.740 0.000 0.000 0.180 35 N C -0.260 175.233 175.510 -0.029 0.000 1.050 35 N CA 0.308 53.266 53.050 -0.153 0.000 0.906 35 N CB 0.012 38.296 38.487 -0.339 0.000 0.968 35 N HN 0.459 nan 8.380 nan 0.000 0.445 36 I N 2.253 122.804 120.570 -0.031 0.000 2.308 36 I HA 0.028 4.198 4.170 0.000 0.000 0.293 36 I C 0.825 176.977 176.117 0.058 0.000 1.078 36 I CA -0.365 60.992 61.300 0.094 0.000 1.292 36 I CB 0.595 38.670 38.000 0.125 0.000 1.423 36 I HN 0.020 nan 8.210 nan 0.000 0.493 37 T N 3.072 117.657 114.554 0.052 0.000 2.824 37 T HA 0.310 4.660 4.350 0.000 0.000 0.277 37 T C -1.805 172.861 174.700 -0.057 0.000 0.975 37 T CA -1.724 60.370 62.100 -0.011 0.000 0.966 37 T CB 1.284 70.144 68.868 -0.013 0.000 1.054 37 T HN 0.202 nan 8.240 nan 0.000 0.533 38 P HA -0.065 nan 4.420 nan 0.000 0.216 38 P C 1.680 178.918 177.300 -0.103 0.000 1.153 38 P CA 1.671 64.538 63.100 -0.388 0.000 0.858 38 P CB -0.363 30.966 31.700 -0.618 0.000 0.789 39 A N 0.068 122.852 122.820 -0.059 0.000 1.865 39 A HA -0.257 4.063 4.320 0.000 0.000 0.217 39 A C 2.084 179.694 177.584 0.043 0.000 1.191 39 A CA 2.072 54.108 52.037 -0.001 0.000 0.623 39 A CB -1.146 17.855 19.000 0.002 0.000 0.826 39 A HN 0.148 nan 8.150 nan 0.000 0.444 40 K N -0.278 120.162 120.400 0.066 0.000 2.097 40 K HA -0.056 4.264 4.320 0.000 0.000 0.206 40 K C 2.263 178.944 176.600 0.135 0.000 1.049 40 K CA 1.108 57.467 56.287 0.119 0.000 0.933 40 K CB -0.361 32.237 32.500 0.163 0.000 0.717 40 K HN 0.449 nan 8.250 nan 0.000 0.442 41 A N 1.931 124.823 122.820 0.120 0.000 1.940 41 A HA -0.203 4.117 4.320 0.000 0.000 0.219 41 A C 1.807 179.463 177.584 0.120 0.000 1.176 41 A CA 1.560 53.679 52.037 0.136 0.000 0.631 41 A CB -0.279 18.826 19.000 0.175 0.000 0.814 41 A HN 0.212 nan 8.150 nan 0.000 0.446 42 K N -0.698 119.762 120.400 0.102 0.000 2.365 42 K HA -0.054 4.267 4.320 0.000 0.000 0.199 42 K C 1.866 178.520 176.600 0.091 0.000 1.045 42 K CA 1.069 57.410 56.287 0.089 0.000 0.962 42 K CB -0.043 32.499 32.500 0.071 0.000 0.759 42 K HN 0.596 nan 8.250 nan 0.000 0.469 43 Q N 0.123 119.985 119.800 0.104 0.000 2.424 43 Q HA 0.117 4.457 4.340 0.000 0.000 0.204 43 Q C -0.042 176.052 176.000 0.156 0.000 0.933 43 Q CA 0.254 56.127 55.803 0.118 0.000 0.929 43 Q CB 0.334 29.137 28.738 0.109 0.000 1.037 43 Q HN 0.187 nan 8.270 nan 0.000 0.511 44 L N -0.674 120.641 121.223 0.153 0.000 2.334 44 L HA 0.297 4.637 4.340 0.000 0.000 0.272 44 L C 1.052 177.987 176.870 0.109 0.000 1.020 44 L CA -0.257 54.680 54.840 0.162 0.000 0.812 44 L CB 1.725 43.884 42.059 0.167 0.000 1.264 44 L HN 0.013 nan 8.230 nan 0.000 0.439 45 T N -3.911 110.710 114.554 0.111 0.000 2.964 45 T HA 0.255 4.606 4.350 0.000 0.000 0.249 45 T C 0.198 174.802 174.700 -0.160 0.000 1.000 45 T CA 0.068 62.179 62.100 0.019 0.000 0.992 45 T CB 0.089 69.024 68.868 0.112 0.000 1.087 45 T HN 0.529 nan 8.240 nan 0.000 0.489 46 H N -0.423 118.659 119.070 0.020 0.000 2.894 46 H HA 0.696 5.253 4.556 0.000 0.000 0.367 46 H C -1.393 173.914 175.328 -0.035 0.000 1.144 46 H CA -0.784 55.266 56.048 0.003 0.000 1.180 46 H CB 1.784 31.529 29.762 -0.028 0.000 1.758 46 H HN 0.155 nan 8.280 nan 0.000 0.541 47 I N 2.325 122.960 120.570 0.109 0.000 2.418 47 I HA 0.221 4.392 4.170 0.000 0.000 0.287 47 I C -0.587 175.554 176.117 0.039 0.000 1.008 47 I CA -0.787 60.546 61.300 0.056 0.000 1.104 47 I CB 1.345 39.423 38.000 0.130 0.000 1.264 47 I HN 0.510 nan 8.210 nan 0.000 0.438 48 N N 6.432 125.035 118.700 -0.162 0.000 2.469 48 N HA 0.200 4.940 4.740 0.000 0.000 0.239 48 N C -0.669 174.808 175.510 -0.056 0.000 1.053 48 N CA -0.249 52.647 53.050 -0.256 0.000 0.937 48 N CB 0.467 38.409 38.487 -0.909 0.000 1.163 48 N HN 0.370 nan 8.380 nan 0.000 0.509 49 F N 2.509 122.491 119.950 0.054 0.000 2.495 49 F HA 0.280 4.808 4.527 0.000 0.000 0.365 49 F C 0.359 176.186 175.800 0.046 0.000 1.090 49 F CA -0.268 57.839 58.000 0.178 0.000 1.235 49 F CB 0.386 39.596 39.000 0.351 0.000 1.119 49 F HN 0.359 nan 8.300 nan 0.000 0.562 50 S N 5.201 120.415 115.700 -0.809 0.000 2.546 50 S HA 0.771 5.241 4.470 0.000 0.000 0.274 50 S C -1.308 172.974 174.600 -0.530 0.000 1.121 50 S CA -0.811 56.952 58.200 -0.728 0.000 0.887 50 S CB 1.536 63.959 63.200 -1.295 0.000 1.094 50 S HN 0.506 nan 8.310 nan 0.000 0.474 51 F N 0.501 120.550 119.950 0.166 0.000 2.577 51 F HA 0.724 5.251 4.527 0.000 0.000 0.318 51 F C -0.263 175.691 175.800 0.255 0.000 1.065 51 F CA -0.923 57.239 58.000 0.269 0.000 0.929 51 F CB 1.414 40.666 39.000 0.420 0.000 1.237 51 F HN 0.493 nan 8.300 nan 0.000 0.468 52 L N 0.722 122.158 121.223 0.355 0.000 2.578 52 L HA 0.596 4.936 4.340 0.000 0.000 0.259 52 L C -0.470 176.484 176.870 0.142 0.000 1.082 52 L CA -0.119 54.750 54.840 0.047 0.000 0.843 52 L CB 1.007 42.957 42.059 -0.181 0.000 1.535 52 L HN 0.633 nan 8.230 nan 0.000 0.510 53 D N -1.630 118.728 120.400 -0.071 0.000 2.812 53 D HA 0.503 5.143 4.640 0.000 0.000 0.318 53 D C -1.538 174.657 176.300 -0.174 0.000 1.234 53 D CA -0.325 53.549 54.000 -0.211 0.000 0.989 53 D CB 1.324 41.701 40.800 -0.706 0.000 1.442 53 D HN 0.229 nan 8.370 nan 0.000 0.537 54 I N 2.167 122.519 120.570 -0.364 0.000 2.418 54 I HA 0.302 4.473 4.170 0.000 0.000 0.287 54 I C -0.102 175.816 176.117 -0.330 0.000 1.008 54 I CA -0.896 60.157 61.300 -0.412 0.000 1.104 54 I CB 1.420 38.861 38.000 -0.931 0.000 1.264 54 I HN 0.322 nan 8.210 nan 0.000 0.438 55 N N 3.344 121.931 118.700 -0.188 0.000 2.418 55 N HA 0.112 4.853 4.740 0.000 0.000 0.283 55 N C 0.915 176.340 175.510 -0.143 0.000 1.267 55 N CA -0.497 52.470 53.050 -0.140 0.000 0.975 55 N CB 0.379 38.827 38.487 -0.064 0.000 1.167 55 N HN 0.533 nan 8.380 nan 0.000 0.581 56 S N -1.752 113.887 115.700 -0.100 0.000 2.474 56 S HA -0.172 4.298 4.470 0.000 0.000 0.235 56 S C 1.076 175.629 174.600 -0.079 0.000 0.997 56 S CA 0.764 58.908 58.200 -0.094 0.000 0.949 56 S CB -0.841 62.321 63.200 -0.064 0.000 0.766 56 S HN 0.737 nan 8.310 nan 0.000 0.517 57 N N 1.364 120.028 118.700 -0.059 0.000 2.449 57 N HA 0.095 4.835 4.740 0.000 0.000 0.191 57 N C -0.159 175.323 175.510 -0.046 0.000 1.161 57 N CA 0.352 53.379 53.050 -0.039 0.000 0.863 57 N CB -0.314 38.164 38.487 -0.015 0.000 0.980 57 N HN 0.469 nan 8.380 nan 0.000 0.458 58 L N -0.009 121.159 121.223 -0.091 0.000 3.717 58 L HA -0.230 4.111 4.340 0.000 0.000 0.411 58 L C -0.861 176.003 176.870 -0.009 0.000 1.233 58 L CA 0.768 55.533 54.840 -0.125 0.000 0.917 58 L CB -1.958 40.032 42.059 -0.115 0.000 1.902 58 L HN 0.295 nan 8.230 nan 0.000 0.894 59 E N -0.622 119.594 120.200 0.025 0.000 2.312 59 E HA 0.414 4.764 4.350 0.000 0.000 0.267 59 E C -0.369 176.311 176.600 0.134 0.000 0.894 59 E CA -0.793 55.689 56.400 0.137 0.000 0.773 59 E CB 2.700 32.440 29.700 0.066 0.000 1.241 59 E HN 0.292 nan 8.360 nan 0.000 0.432 60 C N 2.162 121.574 119.300 0.186 0.000 2.653 60 C HA 0.648 5.108 4.460 0.000 0.000 0.421 60 C C 0.020 175.033 174.990 0.038 0.000 1.334 60 C CA 0.218 59.318 59.018 0.136 0.000 1.885 60 C CB -1.595 26.181 27.740 0.061 0.000 2.645 60 C HN 0.652 nan 8.230 nan 0.000 0.601 61 A N 4.961 127.774 122.820 -0.011 0.000 2.586 61 A HA 0.653 4.973 4.320 0.000 0.000 0.291 61 A C -1.476 176.090 177.584 -0.030 0.000 1.062 61 A CA -0.689 51.353 52.037 0.007 0.000 0.666 61 A CB 0.104 19.140 19.000 0.061 0.000 1.281 61 A HN 0.926 nan 8.150 nan 0.000 0.421 62 W N 0.915 122.211 121.300 -0.006 0.000 2.161 62 W HA 0.421 5.081 4.660 0.000 0.000 0.344 62 W C 0.597 177.141 176.519 0.041 0.000 1.262 62 W CA 0.828 58.191 57.345 0.030 0.000 1.270 62 W CB 0.509 29.972 29.460 0.006 0.000 1.126 62 W HN 0.726 nan 8.180 nan 0.000 0.598 63 D N 3.561 124.186 120.400 0.376 0.000 2.487 63 D HA -0.051 4.589 4.640 0.000 0.000 0.243 63 D C -0.862 175.581 176.300 0.238 0.000 1.154 63 D CA -1.408 52.753 54.000 0.269 0.000 0.876 63 D CB 1.160 42.182 40.800 0.370 0.000 1.161 63 D HN 0.051 nan 8.370 nan 0.000 0.478 64 P HA -0.194 nan 4.420 nan 0.000 0.218 64 P C 0.856 178.219 177.300 0.107 0.000 1.146 64 P CA 1.265 64.437 63.100 0.121 0.000 0.813 64 P CB 0.044 31.796 31.700 0.086 0.000 0.778 65 A N -0.607 122.287 122.820 0.123 0.000 2.209 65 A HA 0.036 4.356 4.320 0.000 0.000 0.212 65 A C 0.998 178.636 177.584 0.090 0.000 1.158 65 A CA 0.561 52.659 52.037 0.101 0.000 0.742 65 A CB -1.317 17.750 19.000 0.113 0.000 0.790 65 A HN 0.196 nan 8.150 nan 0.000 0.472 66 T N 1.921 116.539 114.554 0.107 0.000 2.834 66 T HA 0.072 4.423 4.350 0.000 0.000 0.298 66 T C 0.280 174.961 174.700 -0.031 0.000 0.966 66 T CA -0.439 61.696 62.100 0.058 0.000 1.141 66 T CB 0.291 69.205 68.868 0.077 0.000 0.905 66 T HN 0.420 nan 8.240 nan 0.000 0.535 67 N N 2.712 121.387 118.700 -0.041 0.000 2.416 67 N HA -0.044 4.696 4.740 0.000 0.000 0.265 67 N C 0.721 176.140 175.510 -0.153 0.000 1.195 67 N CA -0.049 52.962 53.050 -0.065 0.000 0.943 67 N CB 0.983 39.449 38.487 -0.036 0.000 1.115 67 N HN 0.614 nan 8.380 nan 0.000 0.481 68 D N 3.922 124.223 120.400 -0.165 0.000 2.144 68 D HA -0.099 4.541 4.640 0.000 0.000 0.199 68 D C 1.709 177.890 176.300 -0.198 0.000 0.984 68 D CA 1.649 55.506 54.000 -0.238 0.000 0.834 68 D CB 0.205 40.918 40.800 -0.146 0.000 0.955 68 D HN 0.669 nan 8.370 nan 0.000 0.465 69 A N 0.404 123.144 122.820 -0.133 0.000 1.902 69 A HA -0.165 4.155 4.320 0.000 0.000 0.217 69 A C 2.083 179.593 177.584 -0.124 0.000 1.181 69 A CA 1.262 53.230 52.037 -0.115 0.000 0.623 69 A CB -0.365 18.588 19.000 -0.079 0.000 0.818 69 A HN 0.074 nan 8.150 nan 0.000 0.443 70 K N -0.079 120.252 120.400 -0.114 0.000 2.211 70 K HA 0.036 4.356 4.320 0.000 0.000 0.203 70 K C 2.184 178.680 176.600 -0.173 0.000 1.050 70 K CA 1.139 57.367 56.287 -0.098 0.000 0.945 70 K CB -0.611 31.871 32.500 -0.031 0.000 0.732 70 K HN 0.464 nan 8.250 nan 0.000 0.451 71 A N 1.735 124.391 122.820 -0.272 0.000 1.873 71 A HA -0.140 4.180 4.320 0.000 0.000 0.215 71 A C 2.220 179.615 177.584 -0.314 0.000 1.186 71 A CA 1.072 52.852 52.037 -0.429 0.000 0.616 71 A CB -0.360 17.986 19.000 -1.090 0.000 0.823 71 A HN 0.229 nan 8.150 nan 0.000 0.442 72 R N -0.484 119.888 120.500 -0.214 0.000 2.105 72 R HA -0.181 4.159 4.340 0.000 0.000 0.239 72 R C 1.956 178.153 176.300 -0.172 0.000 1.135 72 R CA 1.668 57.698 56.100 -0.116 0.000 0.967 72 R CB -0.485 29.739 30.300 -0.126 0.000 0.861 72 R HN 0.715 nan 8.270 nan 0.000 0.442 73 D N 0.150 120.444 120.400 -0.178 0.000 2.117 73 D HA -0.122 4.518 4.640 0.000 0.000 0.197 73 D C 1.780 177.928 176.300 -0.254 0.000 0.987 73 D CA 0.966 54.860 54.000 -0.177 0.000 0.829 73 D CB 0.202 40.921 40.800 -0.135 0.000 0.961 73 D HN -0.064 nan 8.370 nan 0.000 0.460 74 V N -0.084 119.629 119.914 -0.335 0.000 2.295 74 V HA -0.218 3.902 4.120 0.000 0.000 0.246 74 V C 2.577 178.499 176.094 -0.287 0.000 1.049 74 V CA 1.394 63.441 62.300 -0.422 0.000 1.024 74 V CB -0.411 31.219 31.823 -0.322 0.000 0.648 74 V HN 0.189 nan 8.190 nan 0.000 0.447 75 V N 0.610 120.347 119.914 -0.294 0.000 2.407 75 V HA -0.239 3.881 4.120 0.000 0.000 0.248 75 V C 2.335 178.265 176.094 -0.273 0.000 1.055 75 V CA 2.041 64.131 62.300 -0.351 0.000 1.049 75 V CB -0.959 30.563 31.823 -0.502 0.000 0.662 75 V HN 0.557 nan 8.190 nan 0.000 0.455 76 N N 0.579 119.139 118.700 -0.233 0.000 2.104 76 N HA -0.177 4.563 4.740 0.000 0.000 0.190 76 N C 1.954 177.375 175.510 -0.149 0.000 1.024 76 N CA 1.479 54.420 53.050 -0.181 0.000 0.853 76 N CB -0.401 37.995 38.487 -0.152 0.000 1.008 76 N HN 0.485 nan 8.380 nan 0.000 0.424 77 R N 0.288 120.695 120.500 -0.156 0.000 2.120 77 R HA 0.026 4.366 4.340 0.000 0.000 0.234 77 R C 2.165 178.397 176.300 -0.113 0.000 1.123 77 R CA 0.706 56.735 56.100 -0.118 0.000 0.975 77 R CB -0.233 29.992 30.300 -0.126 0.000 0.866 77 R HN 0.240 nan 8.270 nan 0.000 0.446 78 L N -0.179 120.956 121.223 -0.146 0.000 2.068 78 L HA -0.106 4.234 4.340 0.000 0.000 0.204 78 L C 2.586 179.417 176.870 -0.065 0.000 1.076 78 L CA 1.575 56.350 54.840 -0.108 0.000 0.753 78 L CB -0.706 41.296 42.059 -0.095 0.000 0.910 78 L HN 0.353 nan 8.230 nan 0.000 0.439 79 T N -2.615 111.882 114.554 -0.095 0.000 2.915 79 T HA -0.058 4.292 4.350 0.000 0.000 0.269 79 T C 1.851 176.502 174.700 -0.082 0.000 1.071 79 T CA 0.794 62.845 62.100 -0.081 0.000 1.132 79 T CB -0.279 68.517 68.868 -0.121 0.000 0.878 79 T HN 0.277 nan 8.240 nan 0.000 0.479 80 A N 1.444 124.210 122.820 -0.090 0.000 2.121 80 A HA 0.242 4.563 4.320 0.000 0.000 0.218 80 A C 2.294 179.796 177.584 -0.137 0.000 1.154 80 A CA 0.764 52.738 52.037 -0.104 0.000 0.679 80 A CB -0.860 18.092 19.000 -0.080 0.000 0.795 80 A HN 0.586 nan 8.150 nan 0.000 0.458 81 L N -0.988 120.194 121.223 -0.068 0.000 2.362 81 L HA -0.132 4.208 4.340 0.000 0.000 0.219 81 L C 2.138 178.964 176.870 -0.073 0.000 1.134 81 L CA 1.038 55.873 54.840 -0.008 0.000 0.807 81 L CB -0.371 41.737 42.059 0.081 0.000 0.927 81 L HN 0.348 nan 8.230 nan 0.000 0.447 82 K N 0.420 120.768 120.400 -0.085 0.000 2.360 82 K HA -0.098 4.222 4.320 0.000 0.000 0.201 82 K C 2.138 178.662 176.600 -0.126 0.000 1.046 82 K CA 0.978 57.223 56.287 -0.071 0.000 0.945 82 K CB -0.150 32.318 32.500 -0.053 0.000 0.750 82 K HN 0.288 nan 8.250 nan 0.000 0.464 83 A N 0.620 123.285 122.820 -0.259 0.000 2.067 83 A HA -0.149 4.171 4.320 0.000 0.000 0.219 83 A C 1.211 178.632 177.584 -0.272 0.000 1.158 83 A CA 1.195 53.053 52.037 -0.298 0.000 0.661 83 A CB -0.527 18.235 19.000 -0.396 0.000 0.801 83 A HN 0.404 nan 8.150 nan 0.000 0.452 84 H N -2.028 117.044 119.070 0.004 0.000 2.575 84 H HA 0.172 4.729 4.556 0.000 0.000 0.267 84 H C 0.004 175.341 175.328 0.014 0.000 0.966 84 H CA 0.422 56.476 56.048 0.011 0.000 1.165 84 H CB 0.341 30.113 29.762 0.017 0.000 1.433 84 H HN 0.453 nan 8.280 nan 0.000 0.544 85 N N 0.229 118.974 118.700 0.076 0.000 2.875 85 N HA 0.029 4.769 4.740 0.000 0.000 0.253 85 N C -2.490 173.029 175.510 0.014 0.000 1.296 85 N CA -1.713 51.370 53.050 0.055 0.000 0.816 85 N CB 1.266 39.796 38.487 0.073 0.000 1.504 85 N HN -0.153 nan 8.380 nan 0.000 0.582 86 P HA -0.014 nan 4.420 nan 0.000 0.234 86 P C 0.254 177.544 177.300 -0.017 0.000 1.162 86 P CA 0.726 63.820 63.100 -0.011 0.000 0.759 86 P CB 0.431 32.127 31.700 -0.006 0.000 0.813 87 S N -1.056 114.636 115.700 -0.014 0.000 2.512 87 S HA 0.108 4.578 4.470 0.000 0.000 0.216 87 S C 0.670 175.227 174.600 -0.071 0.000 1.006 87 S CA -0.443 57.738 58.200 -0.031 0.000 0.915 87 S CB -0.273 62.920 63.200 -0.010 0.000 0.824 87 S HN 0.079 nan 8.310 nan 0.000 0.497 88 L N 3.601 124.795 121.223 -0.048 0.000 2.455 88 L HA 0.263 4.603 4.340 0.000 0.000 0.272 88 L C -0.049 176.774 176.870 -0.078 0.000 1.174 88 L CA 0.548 55.351 54.840 -0.062 0.000 0.869 88 L CB 0.134 42.192 42.059 -0.000 0.000 1.130 88 L HN 0.015 nan 8.230 nan 0.000 0.474 89 R N 5.857 126.272 120.500 -0.140 0.000 2.494 89 R HA 0.530 4.870 4.340 0.000 0.000 0.305 89 R C -1.098 175.244 176.300 0.071 0.000 0.959 89 R CA -0.954 55.119 56.100 -0.045 0.000 0.864 89 R CB 1.654 31.898 30.300 -0.095 0.000 1.159 89 R HN 0.492 nan 8.270 nan 0.000 0.446 90 I N 4.846 125.511 120.570 0.158 0.000 2.310 90 I HA 0.216 4.386 4.170 0.000 0.000 0.287 90 I C 0.323 176.683 176.117 0.405 0.000 1.073 90 I CA -0.291 61.161 61.300 0.254 0.000 1.216 90 I CB 0.533 38.675 38.000 0.236 0.000 1.415 90 I HN 0.509 nan 8.210 nan 0.000 0.480 91 M N 6.048 125.826 119.600 0.297 0.000 2.159 91 M HA 0.424 4.904 4.480 0.000 0.000 0.293 91 M C -0.253 176.126 176.300 0.132 0.000 1.186 91 M CA -0.358 55.064 55.300 0.204 0.000 1.073 91 M CB 0.882 33.525 32.600 0.072 0.000 1.419 91 M HN 0.385 nan 8.290 nan 0.000 0.490 92 F N -1.386 118.370 119.950 -0.323 0.000 2.556 92 F HA 0.693 5.221 4.527 0.000 0.000 0.314 92 F C -0.711 174.955 175.800 -0.223 0.000 1.106 92 F CA -0.926 56.748 58.000 -0.543 0.000 0.911 92 F CB 0.995 39.006 39.000 -1.647 0.000 1.190 92 F HN 0.370 nan 8.300 nan 0.000 0.448 93 S N 4.365 120.052 115.700 -0.023 0.000 2.480 93 S HA 0.654 5.124 4.470 0.000 0.000 0.286 93 S C -0.337 174.445 174.600 0.304 0.000 1.180 93 S CA -0.597 57.665 58.200 0.104 0.000 1.075 93 S CB 0.842 64.231 63.200 0.315 0.000 0.996 93 S HN 0.566 nan 8.310 nan 0.000 0.487 94 I N 3.075 123.797 120.570 0.253 0.000 2.339 94 I HA 0.636 4.806 4.170 0.000 0.000 0.290 94 I C 0.920 177.274 176.117 0.396 0.000 0.994 94 I CA -0.140 61.364 61.300 0.340 0.000 1.191 94 I CB 0.953 39.121 38.000 0.281 0.000 1.343 94 I HN 0.900 nan 8.210 nan 0.000 0.458 95 G N 4.353 113.387 108.800 0.390 0.000 2.637 95 G HA2 0.313 4.273 3.960 0.000 0.000 0.211 95 G HA3 0.313 4.273 3.960 0.000 0.000 0.211 95 G C 0.045 174.709 174.900 -0.392 0.000 1.213 95 G CA 0.087 45.248 45.100 0.101 0.000 1.207 95 G HN 1.532 nan 8.290 nan 0.000 0.559 96 G N -1.905 106.513 108.800 -0.637 0.000 2.699 96 G HA2 0.101 4.061 3.960 0.000 0.000 0.686 96 G HA3 0.101 4.061 3.960 0.000 0.000 0.686 96 G C 0.695 175.183 174.900 -0.687 0.000 1.301 96 G CA 0.482 44.883 45.100 -1.165 0.000 0.816 96 G HN 1.965 nan 8.290 nan 0.000 0.595 97 W N 0.539 121.413 121.300 -0.710 0.000 2.335 97 W HA -0.193 4.467 4.660 0.000 0.000 0.311 97 W C 2.047 178.324 176.519 -0.403 0.000 1.213 97 W CA 2.674 59.705 57.345 -0.525 0.000 1.274 97 W CB -0.394 28.789 29.460 -0.462 0.000 1.148 97 W HN 0.707 nan 8.180 nan 0.000 0.498 98 Y N 0.536 120.583 120.300 -0.422 0.000 2.114 98 Y HA -0.346 4.205 4.550 0.000 0.000 0.282 98 Y C 2.468 178.136 175.900 -0.388 0.000 1.165 98 Y CA 2.802 60.661 58.100 -0.403 0.000 1.148 98 Y CB -1.270 36.944 38.460 -0.411 0.000 0.972 98 Y HN -0.093 nan 8.280 nan 0.000 0.504 99 Y N -0.782 119.296 120.300 -0.371 0.000 2.243 99 Y HA -0.086 4.464 4.550 0.000 0.000 0.293 99 Y C 2.860 178.446 175.900 -0.523 0.000 1.124 99 Y CA 1.285 59.158 58.100 -0.378 0.000 1.159 99 Y CB -1.026 37.343 38.460 -0.152 0.000 1.008 99 Y HN 0.272 nan 8.280 nan 0.000 0.527 100 S N -0.057 115.303 115.700 -0.567 0.000 2.540 100 S HA 0.078 4.548 4.470 0.000 0.000 0.218 100 S C 0.342 174.544 174.600 -0.664 0.000 0.977 100 S CA -0.384 57.310 58.200 -0.843 0.000 0.918 100 S CB -1.242 61.198 63.200 -1.266 0.000 0.806 100 S HN 0.491 nan 8.310 nan 0.000 0.496 101 N N 1.661 119.818 118.700 -0.906 0.000 2.340 101 N HA 0.076 4.816 4.740 0.000 0.000 0.236 101 N C 0.236 175.269 175.510 -0.796 0.000 1.296 101 N CA 0.072 52.455 53.050 -1.111 0.000 0.896 101 N CB 0.162 37.356 38.487 -2.154 0.000 1.127 101 N HN -0.163 nan 8.380 nan 0.000 0.442 102 D N 0.167 120.123 120.400 -0.739 0.000 2.172 102 D HA -0.164 4.476 4.640 0.000 0.000 0.196 102 D C 1.040 176.911 176.300 -0.715 0.000 0.999 102 D CA 1.486 54.918 54.000 -0.946 0.000 0.856 102 D CB -0.144 40.385 40.800 -0.452 0.000 0.934 102 D HN 0.551 nan 8.370 nan 0.000 0.453 103 L N -0.117 120.815 121.223 -0.486 0.000 2.741 103 L HA 0.304 4.644 4.340 0.000 0.000 0.237 103 L C 1.301 177.966 176.870 -0.342 0.000 1.178 103 L CA -0.565 54.083 54.840 -0.320 0.000 0.973 103 L CB 0.320 42.256 42.059 -0.205 0.000 1.255 103 L HN -0.120 nan 8.230 nan 0.000 0.498 104 G N -0.361 108.168 108.800 -0.452 0.000 2.636 104 G HA2 0.178 4.138 3.960 0.000 0.000 0.246 104 G HA3 0.178 4.138 3.960 0.000 0.000 0.246 104 G C 0.942 175.651 174.900 -0.318 0.000 1.216 104 G CA -0.356 44.462 45.100 -0.470 0.000 0.854 104 G HN -0.087 nan 8.290 nan 0.000 0.572 105 V N 0.192 119.880 119.914 -0.377 0.000 2.720 105 V HA -0.062 4.059 4.120 0.000 0.000 0.256 105 V C 1.853 177.885 176.094 -0.104 0.000 1.082 105 V CA 2.512 64.682 62.300 -0.218 0.000 1.101 105 V CB -0.006 31.684 31.823 -0.220 0.000 0.693 105 V HN 0.589 nan 8.190 nan 0.000 0.479 106 S N -1.930 113.722 115.700 -0.081 0.000 2.819 106 S HA 0.191 4.662 4.470 0.000 0.000 0.249 106 S C 1.280 175.887 174.600 0.012 0.000 1.030 106 S CA -0.092 58.087 58.200 -0.035 0.000 1.052 106 S CB -0.214 62.977 63.200 -0.016 0.000 1.017 106 S HN 0.777 nan 8.310 nan 0.000 0.576 107 H N 2.723 121.691 119.070 -0.170 0.000 2.289 107 H HA -0.219 4.337 4.556 0.000 0.000 0.294 107 H C 2.237 177.459 175.328 -0.177 0.000 1.095 107 H CA 2.080 57.989 56.048 -0.232 0.000 1.256 107 H CB -0.165 29.442 29.762 -0.258 0.000 1.359 107 H HN 0.475 nan 8.280 nan 0.000 0.487 108 A N 1.166 123.875 122.820 -0.186 0.000 1.986 108 A HA -0.248 4.072 4.320 0.000 0.000 0.220 108 A C 2.207 179.612 177.584 -0.298 0.000 1.171 108 A CA 1.851 53.749 52.037 -0.231 0.000 0.640 108 A CB -0.448 18.484 19.000 -0.113 0.000 0.811 108 A HN 0.578 nan 8.150 nan 0.000 0.451 109 N N -1.103 117.421 118.700 -0.294 0.000 2.166 109 N HA -0.144 4.596 4.740 0.000 0.000 0.186 109 N C 1.437 176.556 175.510 -0.652 0.000 1.019 109 N CA 1.630 54.434 53.050 -0.410 0.000 0.856 109 N CB -0.614 37.626 38.487 -0.411 0.000 0.993 109 N HN 0.668 nan 8.380 nan 0.000 0.426 110 Y N 0.994 120.828 120.300 -0.777 0.000 2.163 110 Y HA -0.067 4.483 4.550 0.000 0.000 0.288 110 Y C 2.517 177.820 175.900 -0.995 0.000 1.136 110 Y CA 0.608 58.017 58.100 -1.153 0.000 1.147 110 Y CB -0.792 36.475 38.460 -1.988 0.000 0.987 110 Y HN -0.190 nan 8.280 nan 0.000 0.509 111 V N 0.554 120.063 119.914 -0.675 0.000 2.287 111 V HA -0.344 3.776 4.120 0.000 0.000 0.248 111 V C 1.612 177.608 176.094 -0.165 0.000 1.053 111 V CA 2.425 64.569 62.300 -0.261 0.000 1.027 111 V CB -0.825 30.859 31.823 -0.232 0.000 0.646 111 V HN 0.492 nan 8.190 nan 0.000 0.447 112 N N 0.151 118.715 118.700 -0.226 0.000 2.270 112 N HA -0.046 4.695 4.740 0.000 0.000 0.181 112 N C 1.832 177.242 175.510 -0.166 0.000 1.016 112 N CA 1.003 53.956 53.050 -0.161 0.000 0.870 112 N CB -0.268 38.124 38.487 -0.158 0.000 0.979 112 N HN 0.487 nan 8.380 nan 0.000 0.431 113 A N 0.810 123.463 122.820 -0.278 0.000 1.968 113 A HA -0.051 4.269 4.320 0.000 0.000 0.217 113 A C 2.114 179.601 177.584 -0.162 0.000 1.169 113 A CA 1.101 52.966 52.037 -0.286 0.000 0.638 113 A CB -0.475 18.160 19.000 -0.609 0.000 0.812 113 A HN 0.236 nan 8.150 nan 0.000 0.446 114 V N -3.232 116.619 119.914 -0.104 0.000 3.649 114 V HA 0.130 4.251 4.120 0.000 0.000 0.275 114 V C 1.574 177.704 176.094 0.060 0.000 1.281 114 V CA 1.018 63.346 62.300 0.047 0.000 1.143 114 V CB -0.554 31.397 31.823 0.213 0.000 0.892 114 V HN 0.397 nan 8.190 nan 0.000 0.441 115 K N 1.739 122.150 120.400 0.019 0.000 2.026 115 K HA -0.034 4.286 4.320 0.000 0.000 0.208 115 K C 1.136 177.752 176.600 0.028 0.000 1.048 115 K CA 1.897 58.198 56.287 0.024 0.000 0.929 115 K CB -0.118 32.382 32.500 -0.001 0.000 0.713 115 K HN 0.802 nan 8.250 nan 0.000 0.439 116 T N -4.030 110.538 114.554 0.023 0.000 2.887 116 T HA 0.261 4.612 4.350 0.000 0.000 0.292 116 T C -2.512 172.206 174.700 0.030 0.000 1.087 116 T CA -2.000 60.114 62.100 0.024 0.000 1.009 116 T CB 1.914 70.791 68.868 0.015 0.000 1.203 116 T HN -0.296 nan 8.240 nan 0.000 0.518 117 P HA -0.089 nan 4.420 nan 0.000 0.215 117 P C 1.689 179.007 177.300 0.030 0.000 1.157 117 P CA 1.981 65.098 63.100 0.028 0.000 0.874 117 P CB -0.290 31.423 31.700 0.021 0.000 0.790 118 A N 0.043 122.877 122.820 0.024 0.000 1.858 118 A HA -0.227 4.094 4.320 0.000 0.000 0.216 118 A C 2.447 180.049 177.584 0.031 0.000 1.190 118 A CA 2.761 54.811 52.037 0.022 0.000 0.617 118 A CB -1.763 17.245 19.000 0.015 0.000 0.827 118 A HN 0.338 nan 8.150 nan 0.000 0.443 119 S N -0.048 115.669 115.700 0.028 0.000 2.370 119 S HA -0.235 4.235 4.470 0.000 0.000 0.226 119 S C 2.045 176.692 174.600 0.079 0.000 1.033 119 S CA 1.423 59.642 58.200 0.032 0.000 1.011 119 S CB -0.536 62.664 63.200 0.000 0.000 0.852 119 S HN 0.597 nan 8.310 nan 0.000 0.457 120 R N 1.506 122.055 120.500 0.082 0.000 2.073 120 R HA 0.057 4.397 4.340 0.000 0.000 0.234 120 R C 2.882 179.255 176.300 0.121 0.000 1.134 120 R CA 1.308 57.486 56.100 0.131 0.000 0.952 120 R CB -0.948 29.409 30.300 0.096 0.000 0.850 120 R HN 0.574 nan 8.270 nan 0.000 0.433 121 A N 1.613 124.474 122.820 0.067 0.000 1.892 121 A HA -0.259 4.061 4.320 0.000 0.000 0.218 121 A C 2.097 179.703 177.584 0.036 0.000 1.188 121 A CA 1.776 53.836 52.037 0.039 0.000 0.631 121 A CB -0.469 18.546 19.000 0.025 0.000 0.822 121 A HN 0.260 nan 8.150 nan 0.000 0.447 122 K N -1.791 118.641 120.400 0.054 0.000 2.057 122 K HA -0.170 4.150 4.320 0.000 0.000 0.207 122 K C 1.827 178.473 176.600 0.077 0.000 1.049 122 K CA 1.694 58.012 56.287 0.052 0.000 0.931 122 K CB -0.323 32.209 32.500 0.053 0.000 0.714 122 K HN 0.410 nan 8.250 nan 0.000 0.440 123 F N 1.326 121.260 119.950 -0.028 0.000 2.060 123 F HA -0.091 4.436 4.527 0.000 0.000 0.295 123 F C 2.070 177.860 175.800 -0.016 0.000 1.120 123 F CA 1.413 59.392 58.000 -0.036 0.000 1.205 123 F CB -0.930 38.040 39.000 -0.049 0.000 0.986 123 F HN 0.087 nan 8.300 nan 0.000 0.470 124 A N 0.130 122.825 122.820 -0.208 0.000 1.884 124 A HA -0.330 3.991 4.320 0.000 0.000 0.219 124 A C 2.175 179.621 177.584 -0.229 0.000 1.197 124 A CA 2.283 54.156 52.037 -0.274 0.000 0.637 124 A CB -1.218 17.733 19.000 -0.081 0.000 0.827 124 A HN 0.626 nan 8.150 nan 0.000 0.450 125 Q N -0.205 119.521 119.800 -0.123 0.000 2.135 125 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 125 Q C 2.482 178.421 176.000 -0.101 0.000 0.981 125 Q CA 2.111 57.862 55.803 -0.086 0.000 0.856 125 Q CB -0.243 28.470 28.738 -0.042 0.000 0.902 125 Q HN 0.913 nan 8.270 nan 0.000 0.425 126 S N -0.816 114.806 115.700 -0.130 0.000 2.383 126 S HA -0.158 4.312 4.470 0.000 0.000 0.227 126 S C 2.121 176.646 174.600 -0.126 0.000 1.026 126 S CA 1.089 59.229 58.200 -0.100 0.000 0.981 126 S CB -0.678 62.484 63.200 -0.062 0.000 0.818 126 S HN 0.450 nan 8.310 nan 0.000 0.472 127 C N 1.266 120.406 119.300 -0.267 0.000 2.429 127 C HA 0.046 4.506 4.460 0.000 0.000 0.277 127 C C 2.790 177.791 174.990 0.018 0.000 1.262 127 C CA 0.676 59.612 59.018 -0.138 0.000 1.733 127 C CB -1.385 26.147 27.740 -0.346 0.000 2.010 127 C HN 0.545 nan 8.230 nan 0.000 0.483 128 V N 0.827 120.703 119.914 -0.064 0.000 2.453 128 V HA -0.169 3.952 4.120 0.000 0.000 0.247 128 V C 2.634 178.707 176.094 -0.033 0.000 1.048 128 V CA 1.906 64.173 62.300 -0.055 0.000 1.049 128 V CB -0.772 31.000 31.823 -0.086 0.000 0.672 128 V HN 0.510 nan 8.190 nan 0.000 0.457 129 R N -0.009 120.476 120.500 -0.026 0.000 2.081 129 R HA -0.128 4.212 4.340 0.000 0.000 0.235 129 R C 2.274 178.596 176.300 0.036 0.000 1.131 129 R CA 1.531 57.627 56.100 -0.006 0.000 0.960 129 R CB -0.132 30.166 30.300 -0.004 0.000 0.856 129 R HN 0.327 nan 8.270 nan 0.000 0.436 130 I N 1.148 121.747 120.570 0.049 0.000 2.179 130 I HA -0.312 3.858 4.170 0.000 0.000 0.242 130 I C 2.538 178.717 176.117 0.105 0.000 1.088 130 I CA 1.372 62.721 61.300 0.081 0.000 1.357 130 I CB -1.030 36.871 38.000 -0.166 0.000 1.051 130 I HN 0.398 nan 8.210 nan 0.000 0.409 131 M N 0.491 120.137 119.600 0.077 0.000 2.073 131 M HA -0.275 4.205 4.480 0.000 0.000 0.258 131 M C 2.250 178.623 176.300 0.121 0.000 1.070 131 M CA 1.967 57.406 55.300 0.231 0.000 1.103 131 M CB -0.153 32.592 32.600 0.242 0.000 1.321 131 M HN 0.012 nan 8.290 nan 0.000 0.405 132 K N 0.228 120.631 120.400 0.005 0.000 2.057 132 K HA -0.160 4.160 4.320 0.000 0.000 0.206 132 K C 1.719 178.290 176.600 -0.050 0.000 1.050 132 K CA 1.577 57.841 56.287 -0.038 0.000 0.935 132 K CB -0.955 31.507 32.500 -0.064 0.000 0.715 132 K HN 0.459 nan 8.250 nan 0.000 0.439 133 D N -0.015 120.358 120.400 -0.046 0.000 2.104 133 D HA -0.175 4.465 4.640 0.000 0.000 0.194 133 D C 1.583 177.662 176.300 -0.369 0.000 0.994 133 D CA 1.388 55.271 54.000 -0.195 0.000 0.830 133 D CB -0.002 40.674 40.800 -0.207 0.000 0.959 133 D HN 0.225 nan 8.370 nan 0.000 0.452 134 Y N -1.159 119.071 120.300 -0.116 0.000 2.510 134 Y HA 0.304 4.854 4.550 0.000 0.000 0.273 134 Y C 1.821 177.463 175.900 -0.430 0.000 1.119 134 Y CA 0.594 58.536 58.100 -0.264 0.000 1.286 134 Y CB 0.647 38.950 38.460 -0.262 0.000 1.061 134 Y HN 0.117 nan 8.280 nan 0.000 0.542 135 G N -0.600 108.083 108.800 -0.196 0.000 2.141 135 G HA2 -0.244 3.716 3.960 0.000 0.000 0.195 135 G HA3 -0.244 3.716 3.960 0.000 0.000 0.195 135 G C -0.185 174.616 174.900 -0.165 0.000 1.012 135 G CA -0.635 44.358 45.100 -0.178 0.000 0.696 135 G HN 0.105 nan 8.290 nan 0.000 0.508 136 F N 0.528 120.530 119.950 0.087 0.000 2.403 136 F HA 0.462 4.989 4.527 0.000 0.000 0.320 136 F C 1.378 177.300 175.800 0.204 0.000 1.176 136 F CA -0.195 57.904 58.000 0.164 0.000 1.206 136 F CB 0.650 39.835 39.000 0.308 0.000 1.235 136 F HN -0.019 nan 8.300 nan 0.000 0.565 137 D N -0.023 120.657 120.400 0.466 0.000 2.398 137 D HA 0.268 4.908 4.640 0.000 0.000 0.210 137 D C 0.593 177.149 176.300 0.428 0.000 1.094 137 D CA 0.443 54.697 54.000 0.424 0.000 0.839 137 D CB 0.862 41.821 40.800 0.265 0.000 0.963 137 D HN 0.598 nan 8.370 nan 0.000 0.506 138 G N -0.272 108.732 108.800 0.340 0.000 2.523 138 G HA2 0.399 4.359 3.960 0.000 0.000 0.291 138 G HA3 0.399 4.359 3.960 0.000 0.000 0.291 138 G C -1.739 173.141 174.900 -0.033 0.000 1.450 138 G CA -0.520 44.692 45.100 0.188 0.000 0.790 138 G HN -0.084 nan 8.290 nan 0.000 0.496 139 V N 0.762 120.567 119.914 -0.182 0.000 2.417 139 V HA 0.576 4.696 4.120 0.000 0.000 0.291 139 V C -0.874 175.014 176.094 -0.344 0.000 1.024 139 V CA -0.451 61.531 62.300 -0.529 0.000 0.861 139 V CB 1.602 33.193 31.823 -0.386 0.000 0.985 139 V HN 0.823 nan 8.190 nan 0.000 0.436 140 D N 4.206 124.360 120.400 -0.411 0.000 2.391 140 D HA 0.560 5.201 4.640 0.000 0.000 0.245 140 D C -0.788 175.485 176.300 -0.044 0.000 1.069 140 D CA -0.273 53.641 54.000 -0.143 0.000 0.831 140 D CB 1.332 42.084 40.800 -0.080 0.000 1.204 140 D HN 0.437 nan 8.370 nan 0.000 0.503 141 I N 2.906 123.524 120.570 0.079 0.000 2.378 141 I HA 0.287 4.457 4.170 0.000 0.000 0.291 141 I C -0.599 175.669 176.117 0.252 0.000 0.992 141 I CA -0.726 60.700 61.300 0.211 0.000 1.154 141 I CB 1.758 39.940 38.000 0.303 0.000 1.315 141 I HN 0.296 nan 8.210 nan 0.000 0.448 142 D N 5.981 126.531 120.400 0.250 0.000 2.795 142 D HA 0.083 4.723 4.640 0.000 0.000 0.335 142 D C -0.803 175.493 176.300 -0.007 0.000 1.262 142 D CA -0.224 53.859 54.000 0.139 0.000 0.885 142 D CB 0.401 41.312 40.800 0.186 0.000 1.047 142 D HN 0.341 nan 8.370 nan 0.000 0.500 143 W N 2.218 123.384 121.300 -0.223 0.000 2.358 143 W HA 0.291 4.951 4.660 0.001 0.000 0.307 143 W C -0.429 175.695 176.519 -0.658 0.000 1.203 143 W CA -0.980 56.073 57.345 -0.486 0.000 1.279 143 W CB 0.353 29.607 29.460 -0.343 0.000 1.264 143 W HN 0.035 nan 8.180 nan 0.000 0.474 144 E N 6.698 126.608 120.200 -0.484 0.000 2.267 144 E HA 0.237 4.587 4.350 0.000 0.000 0.241 144 E C -1.537 174.620 176.600 -0.737 0.000 0.950 144 E CA -0.353 55.224 56.400 -1.373 0.000 0.776 144 E CB 0.668 29.614 29.700 -1.257 0.000 1.207 144 E HN 0.266 nan 8.360 nan 0.000 0.436 145 Y N 0.877 121.081 120.300 -0.160 0.000 2.552 145 Y HA 0.287 4.837 4.550 0.000 0.000 0.337 145 Y C -2.404 173.090 175.900 -0.677 0.000 1.094 145 Y CA -2.813 55.034 58.100 -0.422 0.000 1.028 145 Y CB 1.418 39.789 38.460 -0.148 0.000 1.321 145 Y HN 0.273 nan 8.280 nan 0.000 0.456 146 P HA 0.105 nan 4.420 nan 0.000 0.270 146 P C -1.222 175.819 177.300 -0.432 0.000 1.223 146 P CA -0.005 62.269 63.100 -1.377 0.000 0.785 146 P CB 1.552 31.886 31.700 -2.277 0.000 0.923 147 Q N 0.652 120.348 119.800 -0.173 0.000 2.857 147 Q HA 0.624 4.965 4.340 0.000 0.000 0.319 147 Q C 0.379 176.375 176.000 -0.006 0.000 0.963 147 Q CA -0.802 54.984 55.803 -0.027 0.000 0.770 147 Q CB 0.577 29.346 28.738 0.050 0.000 1.492 147 Q HN 0.361 nan 8.270 nan 0.000 0.493 148 A N 0.898 123.727 122.820 0.014 0.000 5.222 148 A HA -0.394 3.927 4.320 0.000 0.000 0.373 148 A C 1.711 179.307 177.584 0.020 0.000 1.531 148 A CA 3.270 55.317 52.037 0.017 0.000 0.751 148 A CB -2.198 16.817 19.000 0.026 0.000 1.543 148 A HN 1.663 nan 8.150 nan 0.000 0.434 149 A N -0.944 121.895 122.820 0.032 0.000 2.239 149 A HA 0.182 4.502 4.320 0.000 0.000 0.209 149 A C 1.573 179.187 177.584 0.050 0.000 1.171 149 A CA 1.737 53.797 52.037 0.038 0.000 0.768 149 A CB -0.643 18.381 19.000 0.040 0.000 0.790 149 A HN 0.727 nan 8.150 nan 0.000 0.478 150 E N -0.713 119.513 120.200 0.043 0.000 2.400 150 E HA 0.012 4.362 4.350 0.000 0.000 0.195 150 E C 1.606 178.220 176.600 0.024 0.000 1.012 150 E CA 0.470 56.907 56.400 0.061 0.000 0.875 150 E CB 0.057 29.806 29.700 0.081 0.000 0.859 150 E HN 0.391 nan 8.360 nan 0.000 0.498 151 V N 2.103 122.014 119.914 -0.004 0.000 2.332 151 V HA -0.278 3.842 4.120 0.000 0.000 0.248 151 V C 1.626 177.791 176.094 0.118 0.000 1.055 151 V CA 2.008 64.334 62.300 0.044 0.000 1.038 151 V CB -0.428 31.427 31.823 0.053 0.000 0.651 151 V HN 0.220 nan 8.190 nan 0.000 0.450 152 D N 0.773 121.222 120.400 0.083 0.000 2.144 152 D HA -0.107 4.533 4.640 0.000 0.000 0.199 152 D C 2.215 178.569 176.300 0.090 0.000 0.984 152 D CA 1.664 55.708 54.000 0.074 0.000 0.834 152 D CB -0.558 40.274 40.800 0.053 0.000 0.955 152 D HN 0.492 nan 8.370 nan 0.000 0.465 153 G N 0.097 108.967 108.800 0.117 0.000 2.402 153 G HA2 -0.258 3.703 3.960 0.000 0.000 0.216 153 G HA3 -0.258 3.703 3.960 0.000 0.000 0.216 153 G C 1.466 176.482 174.900 0.193 0.000 1.162 153 G CA 0.219 45.400 45.100 0.136 0.000 0.777 153 G HN 0.204 nan 8.290 nan 0.000 0.539 154 F N 1.663 121.640 119.950 0.045 0.000 2.069 154 F HA -0.081 4.446 4.527 0.000 0.000 0.298 154 F C 2.475 178.291 175.800 0.026 0.000 1.113 154 F CA 1.248 59.271 58.000 0.039 0.000 1.214 154 F CB -0.405 38.509 39.000 -0.143 0.000 0.978 154 F HN 0.113 nan 8.300 nan 0.000 0.474 155 I N 0.306 120.872 120.570 -0.006 0.000 2.127 155 I HA -0.351 3.819 4.170 0.000 0.000 0.241 155 I C 2.717 178.783 176.117 -0.084 0.000 1.075 155 I CA 1.506 62.738 61.300 -0.113 0.000 1.334 155 I CB -1.069 36.925 38.000 -0.011 0.000 1.040 155 I HN 0.237 nan 8.210 nan 0.000 0.405 156 A N 0.608 123.422 122.820 -0.010 0.000 1.940 156 A HA -0.205 4.115 4.320 0.000 0.000 0.219 156 A C 2.517 180.102 177.584 0.002 0.000 1.176 156 A CA 2.004 54.042 52.037 0.003 0.000 0.631 156 A CB -0.893 18.126 19.000 0.030 0.000 0.814 156 A HN 0.469 nan 8.150 nan 0.000 0.446 157 A N -0.340 122.492 122.820 0.020 0.000 1.902 157 A HA -0.014 4.307 4.320 0.000 0.000 0.217 157 A C 2.156 179.739 177.584 -0.001 0.000 1.181 157 A CA 1.456 53.533 52.037 0.067 0.000 0.623 157 A CB -0.550 18.551 19.000 0.169 0.000 0.818 157 A HN 0.479 nan 8.150 nan 0.000 0.443 158 L N -0.920 120.225 121.223 -0.130 0.000 2.093 158 L HA -0.235 4.105 4.340 0.000 0.000 0.208 158 L C 2.845 179.657 176.870 -0.097 0.000 1.085 158 L CA 1.468 56.208 54.840 -0.166 0.000 0.755 158 L CB -0.584 41.280 42.059 -0.326 0.000 0.904 158 L HN 0.477 nan 8.230 nan 0.000 0.435 159 Q N -0.457 119.296 119.800 -0.078 0.000 2.119 159 Q HA -0.242 4.098 4.340 0.000 0.000 0.201 159 Q C 2.065 178.047 176.000 -0.029 0.000 0.972 159 Q CA 1.351 57.126 55.803 -0.047 0.000 0.847 159 Q CB -0.039 28.679 28.738 -0.034 0.000 0.903 159 Q HN 0.302 nan 8.270 nan 0.000 0.433 160 E N 1.129 121.318 120.200 -0.019 0.000 2.072 160 E HA -0.110 4.241 4.350 0.000 0.000 0.190 160 E C 1.653 178.239 176.600 -0.024 0.000 0.982 160 E CA 0.948 57.343 56.400 -0.010 0.000 0.803 160 E CB -0.101 29.605 29.700 0.011 0.000 0.755 160 E HN 0.330 nan 8.360 nan 0.000 0.453 161 I N 0.260 120.808 120.570 -0.037 0.000 2.226 161 I HA -0.257 3.913 4.170 0.000 0.000 0.245 161 I C 2.463 178.555 176.117 -0.041 0.000 1.100 161 I CA 1.096 62.359 61.300 -0.060 0.000 1.374 161 I CB -0.279 37.672 38.000 -0.081 0.000 1.057 161 I HN 0.080 nan 8.210 nan 0.000 0.413 162 R N 1.238 121.716 120.500 -0.036 0.000 2.083 162 R HA -0.159 4.182 4.340 0.000 0.000 0.237 162 R C 2.135 178.430 176.300 -0.007 0.000 1.137 162 R CA 2.398 58.484 56.100 -0.022 0.000 0.951 162 R CB -1.273 29.009 30.300 -0.031 0.000 0.851 162 R HN 0.211 nan 8.270 nan 0.000 0.434 163 T N 1.312 115.860 114.554 -0.011 0.000 2.746 163 T HA -0.050 4.300 4.350 0.000 0.000 0.267 163 T C 1.732 176.434 174.700 0.003 0.000 1.039 163 T CA 1.568 63.666 62.100 -0.003 0.000 1.142 163 T CB -0.160 68.705 68.868 -0.005 0.000 0.866 163 T HN 0.150 nan 8.240 nan 0.000 0.444 164 L N 0.319 121.538 121.223 -0.007 0.000 2.056 164 L HA 0.004 4.345 4.340 0.000 0.000 0.207 164 L C 2.504 179.379 176.870 0.009 0.000 1.078 164 L CA 1.041 55.876 54.840 -0.008 0.000 0.749 164 L CB -0.629 41.411 42.059 -0.033 0.000 0.901 164 L HN 0.254 nan 8.230 nan 0.000 0.433 165 L N -0.171 121.061 121.223 0.015 0.000 2.046 165 L HA -0.219 4.121 4.340 0.000 0.000 0.208 165 L C 2.351 179.307 176.870 0.143 0.000 1.077 165 L CA 1.139 56.021 54.840 0.070 0.000 0.747 165 L CB -0.636 41.469 42.059 0.077 0.000 0.896 165 L HN 0.355 nan 8.230 nan 0.000 0.432 166 N N -0.255 118.494 118.700 0.082 0.000 2.120 166 N HA -0.222 4.519 4.740 0.000 0.000 0.188 166 N C 1.841 177.394 175.510 0.071 0.000 1.024 166 N CA 0.971 54.063 53.050 0.070 0.000 0.852 166 N CB -0.282 38.225 38.487 0.032 0.000 1.003 166 N HN 0.235 nan 8.380 nan 0.000 0.424 167 Q N 0.715 120.549 119.800 0.056 0.000 2.224 167 Q HA -0.070 4.270 4.340 0.000 0.000 0.203 167 Q C 1.814 177.860 176.000 0.077 0.000 0.970 167 Q CA 1.307 57.139 55.803 0.048 0.000 0.865 167 Q CB -0.185 28.570 28.738 0.028 0.000 0.922 167 Q HN 0.239 nan 8.270 nan 0.000 0.445 168 Q N -1.048 118.820 119.800 0.114 0.000 2.172 168 Q HA -0.025 4.315 4.340 0.000 0.000 0.200 168 Q C 1.753 177.943 176.000 0.317 0.000 0.964 168 Q CA 1.900 57.806 55.803 0.172 0.000 0.855 168 Q CB -0.382 28.406 28.738 0.084 0.000 0.918 168 Q HN 0.413 nan 8.270 nan 0.000 0.444 169 T N 0.457 115.190 114.554 0.297 0.000 2.746 169 T HA -0.087 4.263 4.350 0.000 0.000 0.267 169 T C 1.667 176.387 174.700 0.034 0.000 1.039 169 T CA 1.409 63.562 62.100 0.089 0.000 1.142 169 T CB -0.201 68.662 68.868 -0.010 0.000 0.866 169 T HN 0.251 nan 8.240 nan 0.000 0.444 170 I N 0.948 121.545 120.570 0.046 0.000 2.142 170 I HA -0.179 3.991 4.170 0.000 0.000 0.240 170 I C 2.736 178.872 176.117 0.032 0.000 1.078 170 I CA 1.177 62.491 61.300 0.023 0.000 1.343 170 I CB -0.734 37.279 38.000 0.021 0.000 1.046 170 I HN 0.221 nan 8.210 nan 0.000 0.405 171 T N 0.115 114.700 114.554 0.053 0.000 2.737 171 T HA -0.201 4.149 4.350 0.000 0.000 0.269 171 T C 1.224 175.957 174.700 0.055 0.000 1.040 171 T CA 1.649 63.779 62.100 0.050 0.000 1.142 171 T CB -0.278 68.623 68.868 0.056 0.000 0.861 171 T HN 0.286 nan 8.240 nan 0.000 0.456 172 D N -0.063 120.389 120.400 0.085 0.000 2.339 172 D HA 0.253 4.893 4.640 0.000 0.000 0.217 172 D C 1.378 177.690 176.300 0.020 0.000 1.050 172 D CA 0.424 54.470 54.000 0.076 0.000 0.856 172 D CB -0.262 40.640 40.800 0.170 0.000 0.922 172 D HN 0.439 nan 8.370 nan 0.000 0.518 173 G N 1.720 110.521 108.800 0.001 0.000 2.295 173 G HA2 -0.324 3.637 3.960 0.000 0.000 0.287 173 G HA3 -0.324 3.637 3.960 0.000 0.000 0.287 173 G C 0.796 175.661 174.900 -0.057 0.000 1.055 173 G CA -0.198 44.888 45.100 -0.023 0.000 0.922 173 G HN 0.183 nan 8.290 nan 0.000 0.503 174 R N -0.690 119.747 120.500 -0.105 0.000 2.568 174 R HA 0.164 4.504 4.340 0.000 0.000 0.288 174 R C 2.007 178.202 176.300 -0.176 0.000 1.077 174 R CA 0.126 56.107 56.100 -0.197 0.000 1.102 174 R CB 0.177 30.206 30.300 -0.451 0.000 1.278 174 R HN 0.566 nan 8.270 nan 0.000 0.560 175 Q N 0.300 120.038 119.800 -0.104 0.000 2.197 175 Q HA -0.113 4.227 4.340 0.000 0.000 0.207 175 Q C 1.975 177.930 176.000 -0.076 0.000 0.984 175 Q CA 2.129 57.885 55.803 -0.079 0.000 0.869 175 Q CB -0.208 28.500 28.738 -0.049 0.000 0.906 175 Q HN 0.332 nan 8.270 nan 0.000 0.426 176 A N -0.636 122.139 122.820 -0.074 0.000 2.015 176 A HA 0.014 4.335 4.320 0.000 0.000 0.219 176 A C 0.862 178.403 177.584 -0.071 0.000 1.163 176 A CA 0.746 52.747 52.037 -0.060 0.000 0.646 176 A CB 0.179 19.149 19.000 -0.050 0.000 0.806 176 A HN 0.289 nan 8.150 nan 0.000 0.448 177 L N -0.058 121.099 121.223 -0.110 0.000 2.448 177 L HA 0.398 4.738 4.340 0.000 0.000 0.257 177 L C -2.943 173.806 176.870 -0.201 0.000 1.504 177 L CA -1.925 52.845 54.840 -0.117 0.000 0.852 177 L CB 1.438 43.437 42.059 -0.099 0.000 1.051 177 L HN -0.140 nan 8.230 nan 0.000 0.518 178 P HA 0.011 nan 4.420 nan 0.000 0.265 178 P C -1.033 176.174 177.300 -0.154 0.000 1.187 178 P CA 0.333 63.310 63.100 -0.206 0.000 0.766 178 P CB 0.142 31.790 31.700 -0.087 0.000 0.820 179 Y N 1.187 121.504 120.300 0.029 0.000 2.511 179 Y HA 0.129 4.679 4.550 0.001 0.000 0.332 179 Y C 1.376 177.295 175.900 0.033 0.000 1.177 179 Y CA 0.749 58.875 58.100 0.045 0.000 1.422 179 Y CB 0.018 38.505 38.460 0.046 0.000 1.271 179 Y HN 0.347 nan 8.280 nan 0.000 0.550 180 Q N 1.649 121.577 119.800 0.214 0.000 2.359 180 Q HA 0.688 5.028 4.340 0.000 0.000 0.275 180 Q C -1.674 174.368 176.000 0.069 0.000 1.082 180 Q CA -1.368 54.507 55.803 0.119 0.000 0.849 180 Q CB 2.658 31.485 28.738 0.147 0.000 1.377 180 Q HN 0.533 nan 8.270 nan 0.000 0.452 181 L N 0.725 121.959 121.223 0.019 0.000 2.409 181 L HA 0.640 4.980 4.340 0.000 0.000 0.272 181 L C -1.066 175.797 176.870 -0.011 0.000 0.980 181 L CA 0.093 54.922 54.840 -0.019 0.000 0.826 181 L CB 2.107 44.144 42.059 -0.037 0.000 1.268 181 L HN 0.836 nan 8.230 nan 0.000 0.407 182 T N 2.536 117.089 114.554 -0.003 0.000 2.778 182 T HA 0.858 5.208 4.350 0.000 0.000 0.293 182 T C -0.445 174.284 174.700 0.049 0.000 1.144 182 T CA -0.487 61.635 62.100 0.038 0.000 1.010 182 T CB 1.564 70.470 68.868 0.063 0.000 1.325 182 T HN 0.930 nan 8.240 nan 0.000 0.515 183 I N -2.338 118.288 120.570 0.094 0.000 3.004 183 I HA 0.866 5.036 4.170 0.000 0.000 0.305 183 I C -1.095 175.118 176.117 0.161 0.000 1.312 183 I CA -1.797 59.586 61.300 0.139 0.000 0.992 183 I CB 1.770 39.871 38.000 0.169 0.000 1.282 183 I HN 0.983 nan 8.210 nan 0.000 0.449 184 A N 2.634 125.564 122.820 0.185 0.000 2.290 184 A HA 0.883 5.204 4.320 0.000 0.000 0.310 184 A C 0.028 177.719 177.584 0.179 0.000 1.202 184 A CA -0.059 52.090 52.037 0.186 0.000 0.837 184 A CB 0.707 19.827 19.000 0.201 0.000 1.139 184 A HN 1.172 nan 8.150 nan 0.000 0.509 185 G N 0.260 109.187 108.800 0.212 0.000 2.498 185 G HA2 0.677 4.637 3.960 0.000 0.000 0.312 185 G HA3 0.677 4.637 3.960 0.000 0.000 0.312 185 G C 0.099 175.216 174.900 0.362 0.000 1.230 185 G CA -0.113 45.188 45.100 0.335 0.000 0.968 185 G HN 1.477 nan 8.290 nan 0.000 0.481 186 A N -0.709 122.383 122.820 0.454 0.000 2.587 186 A HA 0.467 4.787 4.320 0.000 0.000 0.233 186 A C 1.413 179.075 177.584 0.129 0.000 1.049 186 A CA 0.857 52.981 52.037 0.146 0.000 0.754 186 A CB 0.281 19.172 19.000 -0.183 0.000 0.977 186 A HN 1.630 nan 8.150 nan 0.000 0.509 187 G N 1.073 109.898 108.800 0.042 0.000 3.192 187 G HA2 0.480 4.440 3.960 0.000 0.000 0.239 187 G HA3 0.480 4.440 3.960 0.000 0.000 0.239 187 G C 0.416 175.325 174.900 0.014 0.000 1.084 187 G CA 0.644 45.743 45.100 -0.002 0.000 0.784 187 G HN 1.308 nan 8.290 nan 0.000 0.540 188 G N -1.292 107.522 108.800 0.023 0.000 2.620 188 G HA2 0.540 4.501 3.960 0.000 0.000 0.301 188 G HA3 0.540 4.501 3.960 0.000 0.000 0.301 188 G C 0.779 175.618 174.900 -0.102 0.000 1.347 188 G CA 0.329 45.433 45.100 0.008 0.000 0.971 188 G HN 0.329 nan 8.290 nan 0.000 0.488 189 A N 1.046 123.733 122.820 -0.222 0.000 1.986 189 A HA -0.008 4.312 4.320 0.000 0.000 0.220 189 A C 1.933 179.207 177.584 -0.518 0.000 1.171 189 A CA 1.812 53.570 52.037 -0.466 0.000 0.640 189 A CB -0.584 18.065 19.000 -0.584 0.000 0.811 189 A HN 0.619 nan 8.150 nan 0.000 0.451 190 F N -1.336 118.468 119.950 -0.244 0.000 2.069 190 F HA -0.130 4.397 4.527 0.001 0.000 0.298 190 F C 2.052 177.583 175.800 -0.447 0.000 1.113 190 F CA 1.593 59.377 58.000 -0.361 0.000 1.214 190 F CB -0.926 37.803 39.000 -0.451 0.000 0.978 190 F HN 0.221 nan 8.300 nan 0.000 0.474 191 F N -0.785 119.073 119.950 -0.153 0.000 2.293 191 F HA -0.048 4.479 4.527 0.000 0.000 0.297 191 F C 2.148 177.615 175.800 -0.554 0.000 1.089 191 F CA 0.439 58.187 58.000 -0.420 0.000 1.377 191 F CB -0.944 37.553 39.000 -0.838 0.000 1.051 191 F HN -0.098 nan 8.300 nan 0.000 0.511 192 L N 0.256 121.256 121.223 -0.372 0.000 2.141 192 L HA -0.156 4.184 4.340 0.000 0.000 0.209 192 L C 2.546 179.027 176.870 -0.648 0.000 1.094 192 L CA 1.831 56.294 54.840 -0.628 0.000 0.763 192 L CB -1.048 40.739 42.059 -0.454 0.000 0.908 192 L HN 0.169 nan 8.230 nan 0.000 0.437 193 S N -0.907 114.507 115.700 -0.478 0.000 2.440 193 S HA -0.235 4.235 4.470 0.000 0.000 0.238 193 S C 2.064 176.501 174.600 -0.273 0.000 1.010 193 S CA 0.980 58.942 58.200 -0.397 0.000 0.972 193 S CB -0.640 62.348 63.200 -0.352 0.000 0.774 193 S HN 0.558 nan 8.310 nan 0.000 0.501 194 R N 0.460 120.815 120.500 -0.242 0.000 2.081 194 R HA -0.091 4.250 4.340 0.000 0.000 0.235 194 R C 1.889 178.170 176.300 -0.032 0.000 1.131 194 R CA 1.941 57.989 56.100 -0.086 0.000 0.960 194 R CB -0.427 29.902 30.300 0.048 0.000 0.856 194 R HN 0.898 nan 8.270 nan 0.000 0.436 195 Y N -4.656 115.605 120.300 -0.065 0.000 2.527 195 Y HA 0.229 4.779 4.550 0.000 0.000 0.247 195 Y C 1.458 177.343 175.900 -0.025 0.000 1.138 195 Y CA -1.197 56.870 58.100 -0.054 0.000 1.228 195 Y CB -0.638 37.777 38.460 -0.075 0.000 1.252 195 Y HN -0.108 nan 8.280 nan 0.000 0.531 196 Y N 2.828 122.866 120.300 -0.437 0.000 2.096 196 Y HA -0.367 4.183 4.550 0.000 0.000 0.278 196 Y C 2.750 178.549 175.900 -0.167 0.000 1.192 196 Y CA 2.557 60.445 58.100 -0.353 0.000 1.143 196 Y CB -0.588 37.611 38.460 -0.435 0.000 0.963 196 Y HN 0.377 nan 8.280 nan 0.000 0.505 197 S N -0.500 115.108 115.700 -0.154 0.000 2.402 197 S HA -0.222 4.248 4.470 0.000 0.000 0.233 197 S C 1.418 175.926 174.600 -0.153 0.000 1.030 197 S CA 1.662 59.741 58.200 -0.202 0.000 1.003 197 S CB -0.471 62.651 63.200 -0.132 0.000 0.813 197 S HN 0.596 nan 8.310 nan 0.000 0.477 198 K N 0.589 120.948 120.400 -0.067 0.000 2.498 198 K HA 0.421 4.741 4.320 0.000 0.000 0.207 198 K C 1.051 177.657 176.600 0.010 0.000 1.033 198 K CA -0.227 56.052 56.287 -0.014 0.000 1.138 198 K CB 0.036 32.557 32.500 0.034 0.000 0.860 198 K HN 0.263 nan 8.250 nan 0.000 0.490 199 L N 0.894 122.087 121.223 -0.049 0.000 2.051 199 L HA -0.315 4.025 4.340 0.000 0.000 0.214 199 L C 2.454 179.342 176.870 0.029 0.000 1.076 199 L CA 1.679 56.527 54.840 0.014 0.000 0.758 199 L CB -0.451 41.539 42.059 -0.116 0.000 0.890 199 L HN 0.369 nan 8.230 nan 0.000 0.433 200 A N -0.702 122.114 122.820 -0.007 0.000 1.883 200 A HA -0.283 4.038 4.320 0.000 0.000 0.217 200 A C 2.115 179.708 177.584 0.015 0.000 1.186 200 A CA 1.788 53.832 52.037 0.011 0.000 0.624 200 A CB -0.499 18.505 19.000 0.006 0.000 0.822 200 A HN 0.530 nan 8.150 nan 0.000 0.444 201 Q N -0.833 118.974 119.800 0.013 0.000 2.167 201 Q HA -0.033 4.308 4.340 0.000 0.000 0.202 201 Q C 1.923 177.920 176.000 -0.005 0.000 0.970 201 Q CA 1.284 57.090 55.803 0.006 0.000 0.855 201 Q CB -0.241 28.503 28.738 0.010 0.000 0.911 201 Q HN 0.754 nan 8.270 nan 0.000 0.438 202 I N -0.402 120.178 120.570 0.018 0.000 2.439 202 I HA -0.181 3.989 4.170 0.000 0.000 0.251 202 I C 1.776 177.887 176.117 -0.011 0.000 1.139 202 I CA 0.666 61.965 61.300 -0.003 0.000 1.438 202 I CB 0.183 38.231 38.000 0.080 0.000 1.085 202 I HN 0.006 nan 8.210 nan 0.000 0.427 203 V N 0.542 120.473 119.914 0.029 0.000 3.235 203 V HA 0.008 4.129 4.120 0.000 0.000 0.259 203 V C 2.556 178.651 176.094 0.001 0.000 1.133 203 V CA 1.093 63.413 62.300 0.033 0.000 1.128 203 V CB -0.517 31.351 31.823 0.075 0.000 0.757 203 V HN 0.392 nan 8.190 nan 0.000 0.469 204 A N 1.863 124.678 122.820 -0.007 0.000 1.892 204 A HA -0.150 4.170 4.320 0.000 0.000 0.218 204 A C 0.829 178.393 177.584 -0.033 0.000 1.188 204 A CA 2.298 54.325 52.037 -0.017 0.000 0.631 204 A CB -1.824 17.167 19.000 -0.015 0.000 0.822 204 A HN 0.592 nan 8.150 nan 0.000 0.447 205 P HA 0.106 nan 4.420 nan 0.000 0.241 205 P C 0.051 177.315 177.300 -0.060 0.000 1.191 205 P CA 0.464 63.531 63.100 -0.055 0.000 0.771 205 P CB -0.106 31.550 31.700 -0.072 0.000 0.929 206 L N 0.060 121.249 121.223 -0.057 0.000 2.357 206 L HA 0.287 4.627 4.340 0.000 0.000 0.273 206 L C 1.472 178.277 176.870 -0.108 0.000 1.080 206 L CA -0.605 54.200 54.840 -0.059 0.000 0.803 206 L CB 0.670 42.716 42.059 -0.022 0.000 1.174 206 L HN -0.273 nan 8.230 nan 0.000 0.443 207 D N 0.349 120.652 120.400 -0.162 0.000 2.162 207 D HA -0.002 4.638 4.640 0.000 0.000 0.203 207 D C -0.535 175.398 176.300 -0.611 0.000 0.967 207 D CA 1.684 55.440 54.000 -0.406 0.000 0.840 207 D CB 0.395 40.954 40.800 -0.402 0.000 0.972 207 D HN 0.313 nan 8.370 nan 0.000 0.482 208 Y N -0.960 119.324 120.300 -0.026 0.000 2.592 208 Y HA 0.401 4.951 4.550 0.000 0.000 0.334 208 Y C -0.738 175.158 175.900 -0.007 0.000 1.136 208 Y CA -1.001 57.082 58.100 -0.028 0.000 1.042 208 Y CB 1.857 40.272 38.460 -0.075 0.000 1.325 208 Y HN -0.299 nan 8.280 nan 0.000 0.457 209 I N 3.010 123.698 120.570 0.196 0.000 2.382 209 I HA 0.481 4.651 4.170 0.000 0.000 0.286 209 I C -1.358 174.821 176.117 0.103 0.000 1.002 209 I CA -0.632 60.753 61.300 0.142 0.000 1.135 209 I CB 0.638 38.728 38.000 0.150 0.000 1.288 209 I HN 0.577 nan 8.210 nan 0.000 0.448 210 N N 8.868 127.629 118.700 0.102 0.000 2.437 210 N HA 0.326 5.067 4.740 0.000 0.000 0.243 210 N C -0.664 174.894 175.510 0.080 0.000 1.041 210 N CA -0.261 52.836 53.050 0.079 0.000 0.940 210 N CB 1.524 40.075 38.487 0.108 0.000 1.133 210 N HN 0.581 nan 8.380 nan 0.000 0.506 211 L N 1.904 123.138 121.223 0.018 0.000 2.410 211 L HA 0.208 4.548 4.340 0.000 0.000 0.273 211 L C 1.204 178.028 176.870 -0.077 0.000 1.152 211 L CA 0.126 54.949 54.840 -0.029 0.000 0.855 211 L CB 0.385 42.376 42.059 -0.113 0.000 1.129 211 L HN 0.360 nan 8.230 nan 0.000 0.463 212 M N 3.061 122.574 119.600 -0.144 0.000 3.690 212 M HA 0.052 4.532 4.480 0.000 0.000 0.209 212 M C 0.460 176.354 176.300 -0.677 0.000 1.403 212 M CA -0.201 54.789 55.300 -0.515 0.000 1.621 212 M CB -0.385 32.020 32.600 -0.326 0.000 1.056 212 M HN 0.579 nan 8.290 nan 0.000 0.593 213 T N -0.212 114.080 114.554 -0.438 0.000 4.492 213 T HA 0.193 4.543 4.350 0.000 0.000 0.222 213 T C -0.500 174.162 174.700 -0.063 0.000 0.836 213 T CA -0.109 61.871 62.100 -0.199 0.000 0.900 213 T CB -1.209 67.629 68.868 -0.050 0.000 1.399 213 T HN 0.504 nan 8.240 nan 0.000 0.877 214 Y N -3.113 117.261 120.300 0.123 0.000 2.853 214 Y HA 0.556 5.107 4.550 0.000 0.000 0.326 214 Y C -0.153 175.857 175.900 0.184 0.000 1.384 214 Y CA -1.922 56.261 58.100 0.137 0.000 1.077 214 Y CB -0.063 38.476 38.460 0.132 0.000 1.395 214 Y HN 0.096 nan 8.280 nan 0.000 0.451 215 D N -0.216 120.497 120.400 0.521 0.000 3.059 215 D HA -0.167 4.474 4.640 0.000 0.000 0.220 215 D C 0.519 177.083 176.300 0.439 0.000 1.169 215 D CA 1.292 55.599 54.000 0.512 0.000 0.902 215 D CB -0.974 40.105 40.800 0.466 0.000 1.116 215 D HN 0.717 nan 8.370 nan 0.000 0.417 216 L N -1.357 120.043 121.223 0.295 0.000 2.610 216 L HA 0.261 4.601 4.340 0.000 0.000 0.232 216 L C 1.093 178.072 176.870 0.182 0.000 1.149 216 L CA 0.795 55.745 54.840 0.183 0.000 0.872 216 L CB -0.194 41.921 42.059 0.092 0.000 0.992 216 L HN 0.197 nan 8.230 nan 0.000 0.447 217 A N -0.697 122.277 122.820 0.257 0.000 2.549 217 A HA 0.826 5.146 4.320 0.000 0.000 0.297 217 A C -0.410 177.103 177.584 -0.117 0.000 1.061 217 A CA 0.061 52.181 52.037 0.139 0.000 0.690 217 A CB 1.666 20.785 19.000 0.198 0.000 1.287 217 A HN 0.086 nan 8.150 nan 0.000 0.402 218 G N -0.319 108.062 108.800 -0.698 0.000 2.506 218 G HA2 0.568 4.528 3.960 0.000 0.000 0.292 218 G HA3 0.568 4.528 3.960 0.000 0.000 0.292 218 G C -2.966 171.216 174.900 -1.196 0.000 1.425 218 G CA -0.562 43.533 45.100 -1.675 0.000 0.788 218 G HN 0.290 nan 8.290 nan 0.000 0.490 219 P HA 0.007 nan 4.420 nan 0.000 0.225 219 P C 1.186 178.472 177.300 -0.023 0.000 1.148 219 P CA 1.086 63.961 63.100 -0.376 0.000 0.779 219 P CB -0.018 31.561 31.700 -0.201 0.000 0.780 220 W N -1.000 120.385 121.300 0.141 0.000 3.077 220 W HA 0.217 4.877 4.660 0.000 0.000 0.245 220 W C -0.065 176.550 176.519 0.161 0.000 1.316 220 W CA -0.033 57.388 57.345 0.126 0.000 1.537 220 W CB -0.781 28.713 29.460 0.056 0.000 1.131 220 W HN -0.197 nan 8.180 nan 0.000 0.695 221 E N 0.792 120.952 120.200 -0.067 0.000 2.183 221 E HA 0.258 4.608 4.350 0.000 0.000 0.271 221 E C 1.175 177.912 176.600 0.229 0.000 0.919 221 E CA 0.027 56.484 56.400 0.094 0.000 0.781 221 E CB 1.728 31.451 29.700 0.038 0.000 1.140 221 E HN 0.102 nan 8.360 nan 0.000 0.402 222 K N 1.559 122.033 120.400 0.124 0.000 2.283 222 K HA 0.033 4.354 4.320 0.000 0.000 0.202 222 K C 0.897 177.518 176.600 0.034 0.000 1.048 222 K CA 0.978 57.284 56.287 0.033 0.000 0.948 222 K CB -0.069 32.415 32.500 -0.026 0.000 0.742 222 K HN 0.240 nan 8.250 nan 0.000 0.458 223 V N 2.150 122.089 119.914 0.041 0.000 2.495 223 V HA 0.317 4.437 4.120 0.000 0.000 0.298 223 V C 0.361 176.382 176.094 -0.123 0.000 1.031 223 V CA -0.676 61.603 62.300 -0.034 0.000 0.871 223 V CB 1.451 33.222 31.823 -0.087 0.000 0.988 223 V HN 0.527 nan 8.190 nan 0.000 0.432 224 T N 1.776 116.117 114.554 -0.356 0.000 2.926 224 T HA 0.462 4.813 4.350 0.000 0.000 0.307 224 T C -0.215 174.109 174.700 -0.626 0.000 1.059 224 T CA -0.181 61.367 62.100 -0.920 0.000 1.122 224 T CB 1.011 69.078 68.868 -1.334 0.000 0.972 224 T HN 0.745 nan 8.240 nan 0.000 0.545 225 N N -0.761 117.626 118.700 -0.522 0.000 3.116 225 N HA 0.181 4.921 4.740 0.000 0.000 0.244 225 N C -1.745 173.735 175.510 -0.049 0.000 1.485 225 N CA -0.738 52.196 53.050 -0.192 0.000 0.884 225 N CB 1.040 39.569 38.487 0.070 0.000 1.415 225 N HN 0.715 nan 8.380 nan 0.000 0.524 226 H N 1.170 120.356 119.070 0.194 0.000 2.683 226 H HA 0.105 4.661 4.556 0.001 0.000 0.339 226 H C 0.364 175.792 175.328 0.167 0.000 1.081 226 H CA 0.231 56.385 56.048 0.177 0.000 1.432 226 H CB 1.233 31.038 29.762 0.071 0.000 1.462 226 H HN 0.579 nan 8.280 nan 0.000 0.557 227 Q N 1.679 121.640 119.800 0.268 0.000 2.432 227 Q HA 0.184 4.524 4.340 0.000 0.000 0.205 227 Q C 0.512 176.642 176.000 0.216 0.000 0.945 227 Q CA 0.872 56.822 55.803 0.244 0.000 0.924 227 Q CB 0.698 29.590 28.738 0.257 0.000 1.016 227 Q HN 0.510 nan 8.270 nan 0.000 0.503 228 A N 0.491 123.420 122.820 0.182 0.000 2.843 228 A HA 0.676 4.996 4.320 0.000 0.000 0.248 228 A C -0.018 177.596 177.584 0.050 0.000 0.904 228 A CA -0.248 51.871 52.037 0.137 0.000 1.091 228 A CB 0.171 19.277 19.000 0.177 0.000 1.208 228 A HN 0.358 nan 8.150 nan 0.000 0.476 229 A N 0.005 122.853 122.820 0.045 0.000 2.540 229 A HA 0.373 4.693 4.320 0.000 0.000 0.239 229 A C 1.196 178.702 177.584 -0.131 0.000 1.061 229 A CA 0.241 52.244 52.037 -0.057 0.000 0.758 229 A CB 0.063 19.063 19.000 0.000 0.000 0.991 229 A HN 1.276 nan 8.150 nan 0.000 0.502 230 L N 2.933 124.011 121.223 -0.240 0.000 2.023 230 L HA 0.239 4.579 4.340 0.000 0.000 0.205 230 L C 0.175 176.656 176.870 -0.648 0.000 1.073 230 L CA 1.773 56.311 54.840 -0.504 0.000 0.745 230 L CB -0.490 41.201 42.059 -0.614 0.000 0.900 230 L HN 0.613 nan 8.230 nan 0.000 0.435 231 F N -1.255 118.641 119.950 -0.089 0.000 2.618 231 F HA 0.647 5.174 4.527 0.000 0.000 0.332 231 F C 0.926 176.708 175.800 -0.031 0.000 1.061 231 F CA -0.774 57.205 58.000 -0.035 0.000 0.974 231 F CB 0.523 39.510 39.000 -0.021 0.000 1.310 231 F HN -0.101 nan 8.300 nan 0.000 0.491 232 G N -0.344 108.592 108.800 0.227 0.000 2.476 232 G HA2 0.419 4.380 3.960 0.000 0.000 0.286 232 G HA3 0.419 4.380 3.960 0.000 0.000 0.286 232 G C -1.762 173.174 174.900 0.060 0.000 1.177 232 G CA -0.194 44.972 45.100 0.111 0.000 0.870 232 G HN 0.515 nan 8.290 nan 0.000 0.528 233 D N 0.087 120.496 120.400 0.014 0.000 2.481 233 D HA 0.475 5.116 4.640 0.000 0.000 0.246 233 D C 1.072 177.319 176.300 -0.089 0.000 1.109 233 D CA -0.139 53.854 54.000 -0.011 0.000 0.845 233 D CB 1.610 42.447 40.800 0.060 0.000 1.160 233 D HN 0.320 nan 8.370 nan 0.000 0.534 234 A N 3.382 126.163 122.820 -0.066 0.000 2.076 234 A HA -0.013 4.307 4.320 0.000 0.000 0.220 234 A C 1.875 179.367 177.584 -0.153 0.000 1.160 234 A CA 1.822 53.805 52.037 -0.090 0.000 0.653 234 A CB -0.336 18.633 19.000 -0.052 0.000 0.801 234 A HN 0.598 nan 8.150 nan 0.000 0.455 235 A N -0.587 122.132 122.820 -0.169 0.000 2.123 235 A HA 0.442 4.762 4.320 0.000 0.000 0.214 235 A C 1.452 178.631 177.584 -0.674 0.000 1.152 235 A CA 0.833 52.738 52.037 -0.220 0.000 0.728 235 A CB -0.676 18.326 19.000 0.002 0.000 0.814 235 A HN 0.680 nan 8.150 nan 0.000 0.464 236 G N 0.312 108.530 108.800 -0.969 0.000 2.528 236 G HA2 0.481 4.441 3.960 0.000 0.000 0.289 236 G HA3 0.481 4.441 3.960 0.000 0.000 0.289 236 G C -2.309 172.196 174.900 -0.659 0.000 1.192 236 G CA -1.247 42.956 45.100 -1.494 0.000 0.921 236 G HN 0.194 nan 8.290 nan 0.000 0.512 237 P HA 0.213 nan 4.420 nan 0.000 0.272 237 P C -0.077 177.023 177.300 -0.333 0.000 1.240 237 P CA 0.054 62.927 63.100 -0.378 0.000 0.791 237 P CB 1.023 32.508 31.700 -0.359 0.000 0.978 238 T N -2.001 112.302 114.554 -0.420 0.000 2.916 238 T HA 0.751 5.101 4.350 0.000 0.000 0.292 238 T C -0.678 173.705 174.700 -0.529 0.000 1.064 238 T CA -0.532 61.388 62.100 -0.300 0.000 1.011 238 T CB 0.990 69.763 68.868 -0.158 0.000 1.152 238 T HN 0.206 nan 8.240 nan 0.000 0.510 239 F N -0.627 119.221 119.950 -0.169 0.000 2.640 239 F HA 0.533 5.060 4.527 0.000 0.000 0.324 239 F C -0.545 175.399 175.800 0.239 0.000 1.077 239 F CA -1.541 56.483 58.000 0.041 0.000 0.965 239 F CB 1.268 40.306 39.000 0.064 0.000 1.351 239 F HN 0.728 nan 8.300 nan 0.000 0.487 240 Y N 2.224 122.792 120.300 0.447 0.000 2.465 240 Y HA 0.141 4.692 4.550 0.001 0.000 0.331 240 Y C 0.437 176.489 175.900 0.253 0.000 1.102 240 Y CA -0.387 57.902 58.100 0.315 0.000 1.358 240 Y CB 0.232 38.878 38.460 0.310 0.000 1.213 240 Y HN 0.441 nan 8.280 nan 0.000 0.525 241 N N 5.542 124.279 118.700 0.062 0.000 2.605 241 N HA 0.091 4.831 4.740 0.000 0.000 0.258 241 N C 0.696 176.022 175.510 -0.307 0.000 1.156 241 N CA 0.617 53.550 53.050 -0.195 0.000 1.008 241 N CB 0.592 38.843 38.487 -0.395 0.000 1.354 241 N HN 0.922 nan 8.380 nan 0.000 0.509 242 A N 4.118 126.789 122.820 -0.249 0.000 2.042 242 A HA -0.166 4.154 4.320 0.000 0.000 0.222 242 A C 2.132 179.440 177.584 -0.459 0.000 1.167 242 A CA 1.011 52.925 52.037 -0.206 0.000 0.649 242 A CB -0.368 18.412 19.000 -0.368 0.000 0.809 242 A HN 0.732 nan 8.150 nan 0.000 0.457 243 L N -1.209 119.520 121.223 -0.823 0.000 2.187 243 L HA -0.211 4.130 4.340 0.000 0.000 0.213 243 L C 2.607 178.714 176.870 -1.272 0.000 1.100 243 L CA 1.328 55.405 54.840 -1.273 0.000 0.765 243 L CB -0.553 40.296 42.059 -2.016 0.000 0.904 243 L HN 0.415 nan 8.230 nan 0.000 0.437 244 R N 0.014 119.989 120.500 -0.874 0.000 2.249 244 R HA -0.127 4.213 4.340 0.000 0.000 0.230 244 R C 1.353 177.534 176.300 -0.199 0.000 1.121 244 R CA 0.746 56.648 56.100 -0.330 0.000 0.997 244 R CB -0.107 30.089 30.300 -0.173 0.000 0.867 244 R HN 0.378 nan 8.270 nan 0.000 0.465 245 E N 0.047 120.113 120.200 -0.224 0.000 2.481 245 E HA 0.161 4.511 4.350 0.000 0.000 0.198 245 E C 0.178 176.689 176.600 -0.149 0.000 1.027 245 E CA -0.022 56.312 56.400 -0.110 0.000 0.900 245 E CB 0.646 30.335 29.700 -0.019 0.000 0.993 245 E HN 0.223 nan 8.360 nan 0.000 0.482 246 A N 1.927 124.598 122.820 -0.247 0.000 2.366 246 A HA 0.107 4.428 4.320 0.000 0.000 0.249 246 A C 0.507 177.991 177.584 -0.167 0.000 1.084 246 A CA -0.349 51.562 52.037 -0.209 0.000 0.794 246 A CB 0.066 18.920 19.000 -0.244 0.000 1.034 246 A HN 0.020 nan 8.150 nan 0.000 0.491 247 N N 1.457 120.080 118.700 -0.128 0.000 2.739 247 N HA 0.225 4.965 4.740 0.000 0.000 0.266 247 N C 0.145 175.559 175.510 -0.161 0.000 1.168 247 N CA 0.162 53.149 53.050 -0.106 0.000 1.055 247 N CB -0.442 38.009 38.487 -0.060 0.000 1.393 247 N HN 0.579 nan 8.380 nan 0.000 0.514 248 L N 1.095 122.159 121.223 -0.264 0.000 2.470 248 L HA 0.328 4.668 4.340 0.000 0.000 0.219 248 L C 1.436 178.126 176.870 -0.299 0.000 1.071 248 L CA 0.339 54.888 54.840 -0.486 0.000 0.850 248 L CB -0.009 41.359 42.059 -1.152 0.000 1.040 248 L HN 0.628 nan 8.230 nan 0.000 0.475 249 G N -0.711 108.026 108.800 -0.105 0.000 2.160 249 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 249 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 249 G C -0.308 174.759 174.900 0.278 0.000 1.022 249 G CA -0.297 44.852 45.100 0.082 0.000 0.741 249 G HN 0.093 nan 8.290 nan 0.000 0.508 250 W N 1.011 122.353 121.300 0.070 0.000 2.359 250 W HA 0.712 5.372 4.660 0.001 0.000 0.344 250 W C 1.148 177.713 176.519 0.077 0.000 1.170 250 W CA -0.951 56.428 57.345 0.056 0.000 1.296 250 W CB 0.699 30.181 29.460 0.036 0.000 1.197 250 W HN 0.551 nan 8.180 nan 0.000 0.618 251 S N 0.245 116.127 115.700 0.304 0.000 2.614 251 S HA 0.011 4.481 4.470 0.000 0.000 0.265 251 S C 0.732 175.503 174.600 0.286 0.000 1.303 251 S CA -0.452 57.906 58.200 0.264 0.000 1.000 251 S CB 0.850 64.183 63.200 0.221 0.000 0.935 251 S HN 0.586 nan 8.310 nan 0.000 0.551 252 W N 1.756 123.133 121.300 0.130 0.000 2.290 252 W HA -0.204 4.457 4.660 0.000 0.000 0.323 252 W C 2.136 178.708 176.519 0.089 0.000 1.260 252 W CA 2.236 59.647 57.345 0.110 0.000 1.266 252 W CB -0.256 29.257 29.460 0.088 0.000 1.149 252 W HN 0.827 nan 8.180 nan 0.000 0.482 253 E N 0.184 120.644 120.200 0.433 0.000 2.085 253 E HA -0.255 4.096 4.350 0.000 0.000 0.194 253 E C 1.869 178.447 176.600 -0.037 0.000 0.994 253 E CA 2.096 58.630 56.400 0.224 0.000 0.801 253 E CB -0.745 29.101 29.700 0.242 0.000 0.743 253 E HN 0.585 nan 8.360 nan 0.000 0.453 254 E N 0.520 120.710 120.200 -0.017 0.000 2.077 254 E HA -0.133 4.218 4.350 0.000 0.000 0.193 254 E C 2.369 178.905 176.600 -0.107 0.000 0.989 254 E CA 0.685 57.002 56.400 -0.139 0.000 0.800 254 E CB -0.113 29.483 29.700 -0.174 0.000 0.746 254 E HN 0.189 nan 8.360 nan 0.000 0.452 255 L N 0.476 121.713 121.223 0.022 0.000 2.027 255 L HA -0.162 4.179 4.340 0.000 0.000 0.206 255 L C 2.587 179.342 176.870 -0.191 0.000 1.074 255 L CA 1.244 56.121 54.840 0.062 0.000 0.745 255 L CB -0.581 41.529 42.059 0.085 0.000 0.898 255 L HN 0.154 nan 8.230 nan 0.000 0.433 256 T N -0.737 113.558 114.554 -0.432 0.000 2.788 256 T HA -0.183 4.168 4.350 0.000 0.000 0.268 256 T C 2.056 176.564 174.700 -0.318 0.000 1.044 256 T CA 1.209 63.009 62.100 -0.501 0.000 1.139 256 T CB -0.150 68.185 68.868 -0.888 0.000 0.867 256 T HN 0.257 nan 8.240 nan 0.000 0.454 257 R N 0.635 120.961 120.500 -0.289 0.000 2.075 257 R HA 0.076 4.416 4.340 0.000 0.000 0.232 257 R C 2.762 178.872 176.300 -0.316 0.000 1.126 257 R CA 1.282 57.228 56.100 -0.256 0.000 0.963 257 R CB -0.344 29.817 30.300 -0.231 0.000 0.858 257 R HN 0.350 nan 8.270 nan 0.000 0.435 258 A N 0.352 122.897 122.820 -0.458 0.000 1.970 258 A HA -0.022 4.298 4.320 0.000 0.000 0.216 258 A C 0.336 177.533 177.584 -0.645 0.000 1.170 258 A CA 0.820 52.462 52.037 -0.659 0.000 0.645 258 A CB 0.156 18.552 19.000 -1.006 0.000 0.816 258 A HN 0.178 nan 8.150 nan 0.000 0.447 259 F N -0.062 119.842 119.950 -0.076 0.000 2.449 259 F HA 0.383 4.910 4.527 0.001 0.000 0.329 259 F C -2.810 172.858 175.800 -0.220 0.000 1.245 259 F CA -3.717 54.193 58.000 -0.150 0.000 1.193 259 F CB 0.202 39.079 39.000 -0.204 0.000 1.425 259 F HN -0.088 nan 8.300 nan 0.000 0.544 260 P HA 0.066 nan 4.420 nan 0.000 0.264 260 P C -0.064 177.233 177.300 -0.005 0.000 1.183 260 P CA 0.322 63.364 63.100 -0.098 0.000 0.763 260 P CB 0.990 32.598 31.700 -0.154 0.000 0.807 261 S N 2.532 118.225 115.700 -0.012 0.000 2.575 261 S HA 0.573 5.043 4.470 0.000 0.000 0.278 261 S C -2.651 171.960 174.600 0.018 0.000 1.139 261 S CA -1.305 56.911 58.200 0.026 0.000 0.954 261 S CB 0.587 63.695 63.200 -0.154 0.000 1.054 261 S HN 0.259 nan 8.310 nan 0.000 0.483 262 P HA 0.503 nan 4.420 nan 0.000 0.274 262 P C -0.958 176.499 177.300 0.261 0.000 1.246 262 P CA -0.280 62.917 63.100 0.162 0.000 0.795 262 P CB 0.290 32.028 31.700 0.063 0.000 1.006 263 F N -2.361 117.645 119.950 0.094 0.000 2.650 263 F HA 0.587 5.114 4.527 0.000 0.000 0.320 263 F C -0.730 175.181 175.800 0.186 0.000 1.091 263 F CA -1.525 56.550 58.000 0.124 0.000 0.962 263 F CB 0.438 39.550 39.000 0.186 0.000 1.363 263 F HN 0.103 nan 8.300 nan 0.000 0.482 264 S N 2.048 117.732 115.700 -0.027 0.000 2.448 264 S HA 0.345 4.816 4.470 0.000 0.000 0.279 264 S C -0.436 174.041 174.600 -0.205 0.000 1.195 264 S CA -0.389 57.758 58.200 -0.089 0.000 1.051 264 S CB 0.492 63.733 63.200 0.069 0.000 0.948 264 S HN 0.611 nan 8.310 nan 0.000 0.493 265 L N 6.215 127.267 121.223 -0.286 0.000 2.462 265 L HA 0.264 4.605 4.340 0.000 0.000 0.283 265 L C 0.615 177.468 176.870 -0.028 0.000 1.166 265 L CA 0.569 55.259 54.840 -0.249 0.000 0.964 265 L CB -1.010 40.810 42.059 -0.399 0.000 1.294 265 L HN 0.794 nan 8.230 nan 0.000 0.449 266 T N -0.219 114.363 114.554 0.046 0.000 2.864 266 T HA 0.429 4.779 4.350 0.000 0.000 0.289 266 T C 1.063 175.759 174.700 -0.007 0.000 1.082 266 T CA -0.517 61.598 62.100 0.025 0.000 1.009 266 T CB 1.094 69.985 68.868 0.039 0.000 1.234 266 T HN -0.048 nan 8.240 nan 0.000 0.526 267 V N 0.859 120.721 119.914 -0.086 0.000 2.358 267 V HA -0.081 4.039 4.120 0.000 0.000 0.246 267 V C 2.523 178.527 176.094 -0.150 0.000 1.047 267 V CA 2.501 64.729 62.300 -0.120 0.000 1.035 267 V CB -0.989 30.722 31.823 -0.187 0.000 0.658 267 V HN 1.108 nan 8.190 nan 0.000 0.452 268 D N 0.447 120.692 120.400 -0.258 0.000 2.144 268 D HA -0.160 4.480 4.640 0.000 0.000 0.199 268 D C 2.044 178.408 176.300 0.106 0.000 0.984 268 D CA 1.502 55.430 54.000 -0.120 0.000 0.834 268 D CB -0.106 40.630 40.800 -0.107 0.000 0.955 268 D HN 0.380 nan 8.370 nan 0.000 0.465 269 A N 0.341 123.210 122.820 0.082 0.000 1.930 269 A HA 0.133 4.453 4.320 0.000 0.000 0.217 269 A C 2.389 179.861 177.584 -0.185 0.000 1.175 269 A CA 1.819 53.814 52.037 -0.070 0.000 0.627 269 A CB -1.002 18.084 19.000 0.144 0.000 0.815 269 A HN 0.347 nan 8.150 nan 0.000 0.443 270 A N -0.483 122.320 122.820 -0.029 0.000 1.898 270 A HA 0.024 4.344 4.320 0.000 0.000 0.216 270 A C 2.222 179.901 177.584 0.159 0.000 1.181 270 A CA 1.725 53.790 52.037 0.046 0.000 0.620 270 A CB -0.911 18.116 19.000 0.044 0.000 0.819 270 A HN 0.358 nan 8.150 nan 0.000 0.442 271 V N 0.108 120.084 119.914 0.102 0.000 2.295 271 V HA -0.262 3.858 4.120 0.000 0.000 0.246 271 V C 2.725 178.943 176.094 0.207 0.000 1.049 271 V CA 2.068 64.462 62.300 0.156 0.000 1.024 271 V CB -0.759 31.227 31.823 0.271 0.000 0.648 271 V HN 0.543 nan 8.190 nan 0.000 0.447 272 Q N -0.307 119.601 119.800 0.179 0.000 2.167 272 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 272 Q C 2.242 178.324 176.000 0.137 0.000 0.970 272 Q CA 1.429 57.346 55.803 0.191 0.000 0.855 272 Q CB -0.367 28.547 28.738 0.293 0.000 0.911 272 Q HN 0.713 nan 8.270 nan 0.000 0.438 273 Q N -0.622 119.157 119.800 -0.034 0.000 2.170 273 Q HA -0.167 4.173 4.340 0.000 0.000 0.203 273 Q C 1.749 177.904 176.000 0.259 0.000 0.976 273 Q CA 1.187 56.992 55.803 0.003 0.000 0.858 273 Q CB -0.117 28.458 28.738 -0.271 0.000 0.907 273 Q HN 0.534 nan 8.270 nan 0.000 0.433 274 H N -0.042 119.130 119.070 0.171 0.000 2.363 274 H HA -0.022 4.534 4.556 0.000 0.000 0.301 274 H C 1.797 177.213 175.328 0.147 0.000 1.074 274 H CA 1.090 57.252 56.048 0.189 0.000 1.354 274 H CB 0.034 29.880 29.762 0.141 0.000 1.397 274 H HN 0.108 nan 8.280 nan 0.000 0.516 275 L N -0.289 121.089 121.223 0.258 0.000 2.201 275 L HA -0.154 4.186 4.340 0.000 0.000 0.212 275 L C 2.038 179.000 176.870 0.152 0.000 1.105 275 L CA 0.814 55.760 54.840 0.177 0.000 0.775 275 L CB -0.290 41.862 42.059 0.155 0.000 0.913 275 L HN 0.376 nan 8.230 nan 0.000 0.440 276 M N -1.302 118.412 119.600 0.190 0.000 2.358 276 M HA -0.113 4.367 4.480 0.000 0.000 0.264 276 M C 0.486 176.881 176.300 0.158 0.000 1.064 276 M CA 0.971 56.377 55.300 0.177 0.000 1.093 276 M CB -0.063 32.691 32.600 0.257 0.000 1.401 276 M HN 0.146 nan 8.290 nan 0.000 0.440 277 M N 1.129 120.811 119.600 0.137 0.000 2.162 277 M HA 0.143 4.623 4.480 0.000 0.000 0.356 277 M C 0.052 176.384 176.300 0.053 0.000 1.303 277 M CA -0.021 55.317 55.300 0.063 0.000 1.116 277 M CB 0.433 32.965 32.600 -0.113 0.000 1.632 277 M HN 0.071 nan 8.290 nan 0.000 0.469 278 E N 1.043 121.277 120.200 0.056 0.000 2.413 278 E HA 0.280 4.630 4.350 0.000 0.000 0.263 278 E C 1.014 177.634 176.600 0.034 0.000 1.015 278 E CA 1.052 57.478 56.400 0.044 0.000 0.916 278 E CB 0.430 30.158 29.700 0.048 0.000 0.947 278 E HN 0.905 nan 8.360 nan 0.000 0.440 279 G N 2.573 111.393 108.800 0.032 0.000 2.159 279 G HA2 -0.239 3.721 3.960 0.000 0.000 0.256 279 G HA3 -0.239 3.721 3.960 0.000 0.000 0.256 279 G C -0.098 174.823 174.900 0.035 0.000 0.977 279 G CA 0.143 45.259 45.100 0.028 0.000 0.652 279 G HN 0.482 nan 8.290 nan 0.000 0.531 280 V N 3.130 123.073 119.914 0.048 0.000 2.275 280 V HA 0.414 4.535 4.120 0.000 0.000 0.272 280 V C -1.306 174.833 176.094 0.075 0.000 1.028 280 V CA -1.389 60.953 62.300 0.070 0.000 0.810 280 V CB 1.266 33.149 31.823 0.099 0.000 1.043 280 V HN 0.307 nan 8.190 nan 0.000 0.453 281 P HA 0.110 nan 4.420 nan 0.000 0.271 281 P C 1.090 178.431 177.300 0.068 0.000 1.220 281 P CA 0.109 63.241 63.100 0.053 0.000 0.768 281 P CB 1.477 33.198 31.700 0.036 0.000 0.848 282 S N 3.354 119.092 115.700 0.063 0.000 2.383 282 S HA -0.219 4.251 4.470 0.000 0.000 0.229 282 S C 1.963 176.606 174.600 0.072 0.000 1.030 282 S CA 1.066 59.306 58.200 0.066 0.000 1.002 282 S CB -1.316 61.913 63.200 0.047 0.000 0.829 282 S HN 0.522 nan 8.310 nan 0.000 0.467 283 A N 1.742 124.603 122.820 0.068 0.000 2.076 283 A HA -0.058 4.262 4.320 0.000 0.000 0.220 283 A C 2.178 179.855 177.584 0.154 0.000 1.160 283 A CA 1.512 53.602 52.037 0.089 0.000 0.653 283 A CB -0.496 18.543 19.000 0.064 0.000 0.801 283 A HN 0.633 nan 8.150 nan 0.000 0.455 284 K N -0.939 119.541 120.400 0.133 0.000 2.393 284 K HA 0.270 4.590 4.320 0.000 0.000 0.193 284 K C -0.349 176.380 176.600 0.215 0.000 1.026 284 K CA -0.017 56.382 56.287 0.187 0.000 1.064 284 K CB 0.199 32.747 32.500 0.081 0.000 0.833 284 K HN 0.459 nan 8.250 nan 0.000 0.521 285 I N 2.068 122.719 120.570 0.136 0.000 2.352 285 I HA 0.072 4.242 4.170 0.000 0.000 0.290 285 I C -0.369 175.775 176.117 0.046 0.000 1.036 285 I CA -0.563 60.781 61.300 0.073 0.000 1.336 285 I CB 1.318 39.344 38.000 0.045 0.000 1.407 285 I HN -0.286 nan 8.210 nan 0.000 0.497 286 V N 7.474 127.394 119.914 0.010 0.000 2.459 286 V HA 0.338 4.458 4.120 0.000 0.000 0.295 286 V C 0.124 176.224 176.094 0.010 0.000 1.029 286 V CA -0.698 61.579 62.300 -0.037 0.000 0.874 286 V CB 1.846 33.590 31.823 -0.132 0.000 0.985 286 V HN 0.693 nan 8.190 nan 0.000 0.438 287 M N 4.064 123.696 119.600 0.054 0.000 2.146 287 M HA 0.566 5.046 4.480 0.000 0.000 0.357 287 M C 0.398 176.776 176.300 0.129 0.000 1.261 287 M CA -0.146 55.207 55.300 0.088 0.000 1.106 287 M CB 0.725 33.406 32.600 0.135 0.000 1.612 287 M HN 0.792 nan 8.290 nan 0.000 0.470 288 G N 3.959 112.849 108.800 0.150 0.000 2.400 288 G HA2 0.578 4.539 3.960 0.000 0.000 0.301 288 G HA3 0.578 4.539 3.960 0.000 0.000 0.301 288 G C -0.963 174.201 174.900 0.441 0.000 1.154 288 G CA -0.574 44.715 45.100 0.316 0.000 0.852 288 G HN 0.823 nan 8.290 nan 0.000 0.511 289 V N -0.654 119.555 119.914 0.492 0.000 2.876 289 V HA 0.858 4.978 4.120 0.000 0.000 0.312 289 V C -2.719 173.559 176.094 0.305 0.000 1.085 289 V CA -2.744 59.807 62.300 0.419 0.000 0.945 289 V CB 2.608 34.527 31.823 0.160 0.000 1.017 289 V HN 0.644 nan 8.190 nan 0.000 0.428 290 P HA 0.426 nan 4.420 nan 0.000 0.294 290 P C -0.772 176.663 177.300 0.225 0.000 1.294 290 P CA -0.218 62.743 63.100 -0.231 0.000 0.827 290 P CB 1.383 32.640 31.700 -0.737 0.000 0.992 291 F N 2.654 122.616 119.950 0.019 0.000 2.639 291 F HA 0.222 4.749 4.527 0.000 0.000 0.300 291 F C 0.491 176.354 175.800 0.105 0.000 1.109 291 F CA -0.455 57.580 58.000 0.059 0.000 1.335 291 F CB -0.525 38.489 39.000 0.023 0.000 1.014 291 F HN 0.262 nan 8.300 nan 0.000 0.537 292 Y N -2.559 117.871 120.300 0.217 0.000 2.609 292 Y HA 0.872 5.423 4.550 0.001 0.000 0.342 292 Y C -0.097 175.894 175.900 0.152 0.000 1.058 292 Y CA -2.048 56.131 58.100 0.131 0.000 1.055 292 Y CB 0.887 39.400 38.460 0.088 0.000 1.292 292 Y HN -0.135 nan 8.280 nan 0.000 0.476 293 G N 0.801 109.725 108.800 0.207 0.000 2.600 293 G HA2 0.725 4.685 3.960 0.000 0.000 0.303 293 G HA3 0.725 4.685 3.960 0.000 0.000 0.303 293 G C -1.602 173.428 174.900 0.216 0.000 1.253 293 G CA -1.580 43.610 45.100 0.150 0.000 0.974 293 G HN 0.661 nan 8.290 nan 0.000 0.483 294 R N -0.366 120.231 120.500 0.161 0.000 2.480 294 R HA 0.632 4.973 4.340 0.000 0.000 0.306 294 R C -0.559 175.770 176.300 0.050 0.000 0.958 294 R CA -0.537 55.616 56.100 0.089 0.000 0.861 294 R CB 2.189 32.541 30.300 0.088 0.000 1.171 294 R HN 0.645 nan 8.270 nan 0.000 0.445 295 A N 3.299 126.100 122.820 -0.032 0.000 2.325 295 A HA 0.814 5.135 4.320 0.000 0.000 0.333 295 A C -1.142 176.501 177.584 0.098 0.000 1.155 295 A CA -0.444 51.685 52.037 0.155 0.000 0.814 295 A CB 0.667 19.788 19.000 0.201 0.000 1.206 295 A HN 0.537 nan 8.150 nan 0.000 0.482 296 F N 0.375 120.469 119.950 0.240 0.000 2.577 296 F HA 0.623 5.150 4.527 0.000 0.000 0.318 296 F C 0.426 176.173 175.800 -0.088 0.000 1.065 296 F CA -0.634 57.394 58.000 0.047 0.000 0.929 296 F CB 2.353 41.312 39.000 -0.068 0.000 1.237 296 F HN 0.716 nan 8.300 nan 0.000 0.468 297 K N -0.676 119.611 120.400 -0.188 0.000 2.352 297 K HA 0.807 5.128 4.320 0.000 0.000 0.240 297 K C 0.334 176.866 176.600 -0.112 0.000 1.017 297 K CA -0.712 55.340 56.287 -0.390 0.000 0.851 297 K CB 1.926 33.722 32.500 -1.174 0.000 1.261 297 K HN 0.957 nan 8.250 nan 0.000 0.451 298 G N -0.063 108.677 108.800 -0.101 0.000 2.198 298 G HA2 -0.227 3.733 3.960 0.000 0.000 0.257 298 G HA3 -0.227 3.733 3.960 0.000 0.000 0.257 298 G C -0.052 174.871 174.900 0.039 0.000 1.042 298 G CA 0.217 45.300 45.100 -0.028 0.000 0.791 298 G HN 1.015 nan 8.290 nan 0.000 0.502 299 V N -2.132 117.829 119.914 0.078 0.000 2.743 299 V HA 0.881 5.002 4.120 0.000 0.000 0.301 299 V C 0.585 176.735 176.094 0.093 0.000 1.057 299 V CA -0.077 62.271 62.300 0.081 0.000 1.006 299 V CB 1.784 33.670 31.823 0.104 0.000 1.024 299 V HN 0.539 nan 8.190 nan 0.000 0.473 300 S N 2.672 118.393 115.700 0.035 0.000 2.610 300 S HA 0.694 5.164 4.470 0.000 0.000 0.273 300 S C 0.511 175.138 174.600 0.046 0.000 1.274 300 S CA 0.087 58.310 58.200 0.039 0.000 1.023 300 S CB 1.347 64.541 63.200 -0.010 0.000 0.962 300 S HN 1.390 nan 8.310 nan 0.000 0.523 301 G N -0.438 108.413 108.800 0.085 0.000 2.557 301 G HA2 0.533 4.493 3.960 0.000 0.000 0.292 301 G HA3 0.533 4.493 3.960 0.000 0.000 0.292 301 G C 0.892 175.760 174.900 -0.053 0.000 1.237 301 G CA -0.087 45.046 45.100 0.054 0.000 0.978 301 G HN 1.289 nan 8.290 nan 0.000 0.498 302 G N -0.727 108.015 108.800 -0.096 0.000 2.491 302 G HA2 -0.250 3.711 3.960 0.000 0.000 0.203 302 G HA3 -0.250 3.711 3.960 0.000 0.000 0.203 302 G C 0.677 175.508 174.900 -0.116 0.000 1.052 302 G CA 0.489 45.542 45.100 -0.077 0.000 0.675 302 G HN 0.900 nan 8.290 nan 0.000 0.504 303 N N 0.632 119.216 118.700 -0.194 0.000 2.497 303 N HA 0.429 5.170 4.740 0.000 0.000 0.284 303 N C 1.279 176.620 175.510 -0.282 0.000 1.459 303 N CA 0.682 53.611 53.050 -0.201 0.000 0.899 303 N CB -0.021 38.343 38.487 -0.204 0.000 1.316 303 N HN 1.343 nan 8.380 nan 0.000 0.500 304 G N 0.206 108.752 108.800 -0.423 0.000 2.187 304 G HA2 -0.295 3.665 3.960 0.000 0.000 0.261 304 G HA3 -0.295 3.665 3.960 0.000 0.000 0.261 304 G C 0.873 175.438 174.900 -0.559 0.000 1.000 304 G CA 0.266 45.024 45.100 -0.570 0.000 0.718 304 G HN 0.834 nan 8.290 nan 0.000 0.519 305 G N -1.928 106.525 108.800 -0.578 0.000 2.176 305 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 305 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 305 G C 0.320 174.772 174.900 -0.746 0.000 0.979 305 G CA 0.965 45.923 45.100 -0.237 0.000 0.641 305 G HN 1.168 nan 8.290 nan 0.000 0.530 306 Q N -0.856 118.421 119.800 -0.872 0.000 2.340 306 Q HA 0.486 4.826 4.340 0.000 0.000 0.249 306 Q C 0.537 175.931 176.000 -1.009 0.000 0.957 306 Q CA -0.607 54.356 55.803 -1.400 0.000 0.882 306 Q CB 0.380 28.189 28.738 -1.548 0.000 1.235 306 Q HN 0.574 nan 8.270 nan 0.000 0.439 307 Y N -1.374 118.529 120.300 -0.661 0.000 3.491 307 Y HA -0.273 4.277 4.550 0.000 0.000 0.215 307 Y C 0.120 175.817 175.900 -0.339 0.000 1.219 307 Y CA 0.750 58.598 58.100 -0.419 0.000 1.485 307 Y CB -2.327 35.958 38.460 -0.292 0.000 1.450 307 Y HN 0.480 nan 8.280 nan 0.000 0.603 308 S N -0.359 115.161 115.700 -0.300 0.000 2.664 308 S HA 0.813 5.283 4.470 0.000 0.000 0.304 308 S C 0.365 174.883 174.600 -0.136 0.000 1.099 308 S CA -0.107 57.974 58.200 -0.198 0.000 1.003 308 S CB 1.220 64.294 63.200 -0.210 0.000 1.092 308 S HN 0.443 nan 8.310 nan 0.000 0.525 309 S N 1.306 116.954 115.700 -0.086 0.000 2.603 309 S HA 0.613 5.084 4.470 0.000 0.000 0.268 309 S C -0.374 174.214 174.600 -0.020 0.000 1.317 309 S CA -0.348 57.803 58.200 -0.081 0.000 1.012 309 S CB 0.354 63.497 63.200 -0.096 0.000 0.926 309 S HN 1.031 nan 8.310 nan 0.000 0.539 310 H N -2.005 117.041 119.070 -0.041 0.000 2.942 310 H HA 0.720 5.276 4.556 0.000 0.000 0.316 310 H C -0.729 174.600 175.328 0.002 0.000 1.323 310 H CA -0.566 55.477 56.048 -0.007 0.000 1.144 310 H CB 0.961 30.765 29.762 0.070 0.000 1.866 310 H HN 0.574 nan 8.280 nan 0.000 0.545 311 S N -0.256 115.518 115.700 0.124 0.000 2.558 311 S HA 0.287 4.758 4.470 0.000 0.000 0.238 311 S C -0.806 173.889 174.600 0.158 0.000 1.183 311 S CA -0.535 57.690 58.200 0.041 0.000 1.185 311 S CB -0.634 62.549 63.200 -0.028 0.000 1.003 311 S HN 0.648 nan 8.310 nan 0.000 0.478 312 T N 4.534 119.390 114.554 0.503 0.000 2.744 312 T HA 0.469 4.819 4.350 0.000 0.000 0.291 312 T C -2.724 172.168 174.700 0.321 0.000 0.957 312 T CA -1.256 61.047 62.100 0.338 0.000 1.002 312 T CB 0.990 69.957 68.868 0.166 0.000 0.919 312 T HN 0.209 nan 8.240 nan 0.000 0.468 313 P HA 0.207 nan 4.420 nan 0.000 0.265 313 P C 0.803 178.258 177.300 0.257 0.000 1.193 313 P CA -0.040 63.208 63.100 0.245 0.000 0.765 313 P CB 0.495 32.340 31.700 0.240 0.000 0.823 314 G N 1.581 110.518 108.800 0.228 0.000 3.044 314 G HA2 -0.000 3.960 3.960 0.000 0.000 0.223 314 G HA3 -0.000 3.960 3.960 0.000 0.000 0.223 314 G C 0.185 175.231 174.900 0.244 0.000 1.123 314 G CA -0.146 45.115 45.100 0.268 0.000 0.765 314 G HN 0.516 nan 8.290 nan 0.000 0.546 315 E N 1.012 121.321 120.200 0.182 0.000 2.369 315 E HA 0.357 4.707 4.350 0.000 0.000 0.255 315 E C -1.412 175.277 176.600 0.149 0.000 1.172 315 E CA -0.262 56.222 56.400 0.141 0.000 0.932 315 E CB 1.123 30.881 29.700 0.097 0.000 1.040 315 E HN -0.028 nan 8.360 nan 0.000 0.454 316 D N 0.842 121.314 120.400 0.119 0.000 2.787 316 D HA 0.352 4.992 4.640 0.000 0.000 0.246 316 D C -2.011 174.351 176.300 0.104 0.000 1.150 316 D CA -1.071 53.000 54.000 0.118 0.000 0.864 316 D CB 1.284 42.143 40.800 0.099 0.000 1.481 316 D HN 0.332 nan 8.370 nan 0.000 0.509 317 P HA 0.121 nan 4.420 nan 0.000 0.286 317 P C -0.688 176.713 177.300 0.169 0.000 1.293 317 P CA -0.517 62.661 63.100 0.129 0.000 0.770 317 P CB 0.332 32.100 31.700 0.114 0.000 1.206 318 Y N 2.265 122.608 120.300 0.072 0.000 2.729 318 Y HA 0.041 4.592 4.550 0.001 0.000 0.331 318 Y C -1.087 174.869 175.900 0.093 0.000 1.208 318 Y CA -1.598 56.558 58.100 0.093 0.000 1.521 318 Y CB 0.020 38.539 38.460 0.098 0.000 1.233 318 Y HN 0.246 nan 8.280 nan 0.000 0.539 319 P HA -0.021 nan 4.420 nan 0.000 0.236 319 P C 0.052 177.147 177.300 -0.342 0.000 1.177 319 P CA 0.500 63.452 63.100 -0.247 0.000 0.773 319 P CB 0.520 32.130 31.700 -0.150 0.000 0.878 320 S N -1.221 114.048 115.700 -0.717 0.000 2.739 320 S HA 0.409 4.879 4.470 0.000 0.000 0.306 320 S C 0.788 175.273 174.600 -0.192 0.000 1.115 320 S CA -0.204 57.741 58.200 -0.425 0.000 0.985 320 S CB 1.383 64.358 63.200 -0.376 0.000 1.133 320 S HN -0.066 nan 8.310 nan 0.000 0.541 321 T N 0.442 114.913 114.554 -0.138 0.000 3.054 321 T HA 0.217 4.567 4.350 0.000 0.000 0.255 321 T C -0.214 174.142 174.700 -0.574 0.000 1.035 321 T CA -0.157 61.787 62.100 -0.261 0.000 0.941 321 T CB -0.451 68.314 68.868 -0.172 0.000 1.026 321 T HN 0.564 nan 8.240 nan 0.000 0.533 322 D N 1.723 122.002 120.400 -0.201 0.000 2.344 322 D HA 0.096 4.736 4.640 0.000 0.000 0.253 322 D C -1.137 175.133 176.300 -0.050 0.000 1.255 322 D CA -0.294 53.662 54.000 -0.073 0.000 0.894 322 D CB -0.036 40.886 40.800 0.203 0.000 1.067 322 D HN 0.265 nan 8.370 nan 0.000 0.492 323 Y N 4.763 125.066 120.300 0.005 0.000 2.595 323 Y HA 0.189 4.740 4.550 0.000 0.000 0.336 323 Y C 0.642 176.402 175.900 -0.234 0.000 0.996 323 Y CA -1.276 56.653 58.100 -0.285 0.000 1.260 323 Y CB 0.084 38.410 38.460 -0.224 0.000 1.108 323 Y HN 0.507 nan 8.280 nan 0.000 0.509 324 W N 1.973 123.322 121.300 0.081 0.000 3.316 324 W HA 0.313 4.974 4.660 0.000 0.000 0.327 324 W C -0.795 175.704 176.519 -0.032 0.000 1.232 324 W CA -0.504 56.850 57.345 0.016 0.000 1.805 324 W CB 0.194 29.669 29.460 0.025 0.000 1.090 324 W HN 0.330 nan 8.180 nan 0.000 0.654 325 L N 3.241 124.370 121.223 -0.157 0.000 2.356 325 L HA 0.271 4.612 4.340 0.000 0.000 0.282 325 L C 0.310 177.144 176.870 -0.060 0.000 1.132 325 L CA -0.732 54.092 54.840 -0.027 0.000 0.923 325 L CB 0.352 42.239 42.059 -0.286 0.000 1.278 325 L HN -0.194 nan 8.230 nan 0.000 0.436 326 V N 6.061 125.966 119.914 -0.014 0.000 2.625 326 V HA 0.198 4.318 4.120 0.000 0.000 0.305 326 V C 1.585 177.462 176.094 -0.362 0.000 1.055 326 V CA 1.279 63.489 62.300 -0.149 0.000 1.209 326 V CB -0.089 31.607 31.823 -0.212 0.000 0.877 326 V HN 1.072 nan 8.190 nan 0.000 0.489 327 G N 3.111 111.561 108.800 -0.584 0.000 2.225 327 G HA2 -0.297 3.663 3.960 0.000 0.000 0.254 327 G HA3 -0.297 3.663 3.960 0.000 0.000 0.254 327 G C 0.579 175.214 174.900 -0.442 0.000 0.988 327 G CA 0.070 44.581 45.100 -0.981 0.000 0.625 327 G HN 1.024 nan 8.290 nan 0.000 0.527 328 C N 2.360 121.471 119.300 -0.315 0.000 2.262 328 C HA 0.566 5.026 4.460 0.000 0.000 0.413 328 C C 1.853 176.710 174.990 -0.222 0.000 1.019 328 C CA 0.121 58.984 59.018 -0.259 0.000 1.320 328 C CB -1.402 26.172 27.740 -0.277 0.000 1.657 328 C HN 0.530 nan 8.230 nan 0.000 0.510 329 E N 0.920 121.019 120.200 -0.170 0.000 2.204 329 E HA -0.208 4.142 4.350 0.000 0.000 0.194 329 E C 1.939 178.441 176.600 -0.162 0.000 0.989 329 E CA 0.944 57.262 56.400 -0.138 0.000 0.824 329 E CB 0.087 29.739 29.700 -0.080 0.000 0.756 329 E HN 0.840 nan 8.360 nan 0.000 0.477 330 E N 0.474 120.577 120.200 -0.162 0.000 2.110 330 E HA -0.186 4.164 4.350 0.000 0.000 0.193 330 E C 1.982 178.449 176.600 -0.221 0.000 0.988 330 E CA 1.054 57.359 56.400 -0.157 0.000 0.804 330 E CB 0.020 29.639 29.700 -0.136 0.000 0.745 330 E HN 0.250 nan 8.360 nan 0.000 0.458 331 C N 0.059 119.189 119.300 -0.283 0.000 2.425 331 C HA -0.079 4.382 4.460 0.000 0.000 0.277 331 C C 2.635 177.277 174.990 -0.581 0.000 1.280 331 C CA 0.335 59.115 59.018 -0.397 0.000 1.744 331 C CB -0.767 26.710 27.740 -0.439 0.000 1.989 331 C HN 0.322 nan 8.230 nan 0.000 0.491 332 V N 1.116 120.702 119.914 -0.546 0.000 2.270 332 V HA -0.197 3.923 4.120 0.000 0.000 0.245 332 V C 2.724 178.528 176.094 -0.484 0.000 1.043 332 V CA 2.110 63.978 62.300 -0.720 0.000 1.014 332 V CB -0.768 30.872 31.823 -0.304 0.000 0.645 332 V HN 0.514 nan 8.190 nan 0.000 0.447 333 R N 0.422 120.758 120.500 -0.273 0.000 2.096 333 R HA -0.218 4.122 4.340 0.000 0.000 0.240 333 R C 1.565 177.764 176.300 -0.168 0.000 1.139 333 R CA 2.292 58.291 56.100 -0.167 0.000 0.952 333 R CB -0.392 29.841 30.300 -0.113 0.000 0.854 333 R HN 0.479 nan 8.270 nan 0.000 0.436 334 D N 0.244 120.520 120.400 -0.206 0.000 2.340 334 D HA 0.001 4.641 4.640 0.000 0.000 0.220 334 D C 0.232 176.419 176.300 -0.187 0.000 1.039 334 D CA 0.296 54.202 54.000 -0.157 0.000 0.866 334 D CB 0.164 40.886 40.800 -0.130 0.000 0.913 334 D HN 0.211 nan 8.370 nan 0.000 0.523 335 K N 0.433 120.638 120.400 -0.325 0.000 3.088 335 K HA -0.175 4.146 4.320 0.000 0.000 0.273 335 K C -0.875 175.630 176.600 -0.159 0.000 1.111 335 K CA 0.663 56.786 56.287 -0.273 0.000 0.803 335 K CB -0.555 31.947 32.500 0.004 0.000 1.226 335 K HN 0.100 nan 8.250 nan 0.000 0.485 336 D N -1.120 119.055 120.400 -0.376 0.000 2.890 336 D HA 0.167 4.807 4.640 0.000 0.000 0.233 336 D C -2.421 173.499 176.300 -0.634 0.000 1.306 336 D CA -1.506 52.231 54.000 -0.439 0.000 0.929 336 D CB 1.780 42.449 40.800 -0.218 0.000 1.512 336 D HN -0.151 nan 8.370 nan 0.000 0.568 337 P HA 0.199 nan 4.420 nan 0.000 0.261 337 P C 0.630 177.399 177.300 -0.885 0.000 1.268 337 P CA -0.010 62.459 63.100 -1.051 0.000 0.833 337 P CB 0.539 31.220 31.700 -1.698 0.000 1.231 338 R N -0.369 119.811 120.500 -0.533 0.000 2.297 338 R HA 0.323 4.663 4.340 0.000 0.000 0.197 338 R C 0.801 177.008 176.300 -0.156 0.000 0.943 338 R CA 0.392 56.359 56.100 -0.221 0.000 1.038 338 R CB 0.071 30.312 30.300 -0.098 0.000 0.957 338 R HN 0.253 nan 8.270 nan 0.000 0.484 339 I N -0.336 120.129 120.570 -0.174 0.000 2.769 339 I HA 0.567 4.737 4.170 0.000 0.000 0.298 339 I C -1.099 174.959 176.117 -0.098 0.000 1.128 339 I CA -1.193 60.066 61.300 -0.069 0.000 1.031 339 I CB 2.387 40.347 38.000 -0.067 0.000 1.235 339 I HN -0.132 nan 8.210 nan 0.000 0.423 340 A N 2.718 125.528 122.820 -0.017 0.000 2.566 340 A HA 0.674 4.994 4.320 0.000 0.000 0.297 340 A C -0.523 177.067 177.584 0.010 0.000 1.059 340 A CA -0.580 51.414 52.037 -0.072 0.000 0.691 340 A CB 1.720 20.620 19.000 -0.166 0.000 1.282 340 A HN 0.750 nan 8.150 nan 0.000 0.401 341 S N 1.113 116.798 115.700 -0.026 0.000 2.576 341 S HA 0.272 4.742 4.470 0.000 0.000 0.276 341 S C 0.855 175.432 174.600 -0.038 0.000 1.339 341 S CA 0.242 58.450 58.200 0.013 0.000 1.039 341 S CB 0.235 63.406 63.200 -0.049 0.000 0.902 341 S HN 1.357 nan 8.310 nan 0.000 0.516 342 Y N 3.166 123.427 120.300 -0.066 0.000 2.193 342 Y HA -0.233 4.318 4.550 0.001 0.000 0.285 342 Y C 2.628 178.444 175.900 -0.140 0.000 1.166 342 Y CA 2.215 60.244 58.100 -0.118 0.000 1.181 342 Y CB -0.339 38.033 38.460 -0.147 0.000 0.976 342 Y HN 0.873 nan 8.280 nan 0.000 0.520 343 R N -0.033 120.340 120.500 -0.211 0.000 2.091 343 R HA -0.275 4.066 4.340 0.000 0.000 0.238 343 R C 2.284 178.417 176.300 -0.279 0.000 1.136 343 R CA 2.062 58.023 56.100 -0.232 0.000 0.959 343 R CB -0.380 29.876 30.300 -0.074 0.000 0.856 343 R HN 0.424 nan 8.270 nan 0.000 0.437 344 Q N 0.631 120.287 119.800 -0.240 0.000 2.096 344 Q HA -0.010 4.330 4.340 0.000 0.000 0.197 344 Q C 2.106 177.920 176.000 -0.310 0.000 0.964 344 Q CA 1.508 57.175 55.803 -0.226 0.000 0.838 344 Q CB -0.183 28.442 28.738 -0.189 0.000 0.906 344 Q HN 0.483 nan 8.270 nan 0.000 0.444 345 L N 0.430 121.411 121.223 -0.404 0.000 2.083 345 L HA -0.154 4.186 4.340 0.000 0.000 0.209 345 L C 2.469 179.026 176.870 -0.522 0.000 1.083 345 L CA 1.706 56.235 54.840 -0.518 0.000 0.752 345 L CB -0.467 41.209 42.059 -0.638 0.000 0.899 345 L HN 0.417 nan 8.230 nan 0.000 0.433 346 E N -0.040 119.787 120.200 -0.622 0.000 2.110 346 E HA -0.253 4.098 4.350 0.000 0.000 0.193 346 E C 2.189 178.627 176.600 -0.269 0.000 0.988 346 E CA 1.092 57.179 56.400 -0.521 0.000 0.804 346 E CB 0.095 29.380 29.700 -0.692 0.000 0.745 346 E HN 0.511 nan 8.360 nan 0.000 0.458 347 Q N -0.299 119.367 119.800 -0.223 0.000 2.079 347 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 347 Q C 2.222 178.217 176.000 -0.008 0.000 0.974 347 Q CA 1.568 57.314 55.803 -0.095 0.000 0.840 347 Q CB -0.031 28.664 28.738 -0.072 0.000 0.898 347 Q HN 0.372 nan 8.270 nan 0.000 0.430 348 M N 0.179 119.742 119.600 -0.061 0.000 2.267 348 M HA -0.177 4.303 4.480 0.000 0.000 0.263 348 M C 1.777 178.172 176.300 0.158 0.000 1.063 348 M CA 1.216 56.558 55.300 0.070 0.000 1.090 348 M CB -0.045 32.404 32.600 -0.252 0.000 1.392 348 M HN 0.185 nan 8.290 nan 0.000 0.422 349 L N -0.545 120.663 121.223 -0.026 0.000 2.478 349 L HA -0.109 4.231 4.340 0.000 0.000 0.223 349 L C 2.063 178.950 176.870 0.028 0.000 1.140 349 L CA 0.487 55.332 54.840 0.009 0.000 0.842 349 L CB -0.252 41.769 42.059 -0.063 0.000 0.953 349 L HN 0.344 nan 8.230 nan 0.000 0.452 350 Q N -0.955 118.855 119.800 0.016 0.000 2.352 350 Q HA 0.131 4.471 4.340 0.000 0.000 0.212 350 Q C 1.840 177.826 176.000 -0.024 0.000 0.888 350 Q CA 0.598 56.397 55.803 -0.006 0.000 0.934 350 Q CB 0.714 29.439 28.738 -0.021 0.000 1.093 350 Q HN 0.376 nan 8.270 nan 0.000 0.523 351 G N 1.414 110.214 108.800 0.000 0.000 3.088 351 G HA2 -0.091 3.869 3.960 0.000 0.000 0.212 351 G HA3 -0.091 3.869 3.960 0.000 0.000 0.212 351 G C 0.406 175.012 174.900 -0.489 0.000 1.173 351 G CA -0.210 44.751 45.100 -0.232 0.000 0.779 351 G HN 0.327 nan 8.290 nan 0.000 0.540 352 N N -0.807 117.781 118.700 -0.187 0.000 2.642 352 N HA -0.241 4.500 4.740 0.000 0.000 0.269 352 N C -0.224 175.150 175.510 -0.227 0.000 1.073 352 N CA 0.330 53.290 53.050 -0.149 0.000 0.748 352 N CB -1.411 36.987 38.487 -0.149 0.000 0.894 352 N HN 0.424 nan 8.380 nan 0.000 0.548 353 Y N -0.504 119.847 120.300 0.085 0.000 2.467 353 Y HA 0.364 4.915 4.550 0.000 0.000 0.250 353 Y C 1.911 177.791 175.900 -0.033 0.000 1.155 353 Y CA 0.370 58.513 58.100 0.071 0.000 1.249 353 Y CB 0.474 39.047 38.460 0.188 0.000 1.146 353 Y HN 0.501 nan 8.280 nan 0.000 0.524 354 G N -0.596 108.209 108.800 0.007 0.000 2.141 354 G HA2 -0.262 3.698 3.960 0.000 0.000 0.195 354 G HA3 -0.262 3.698 3.960 0.000 0.000 0.195 354 G C -0.590 174.005 174.900 -0.509 0.000 1.012 354 G CA -0.625 44.294 45.100 -0.302 0.000 0.696 354 G HN 0.215 nan 8.290 nan 0.000 0.508 355 Y N 0.290 120.588 120.300 -0.002 0.000 2.387 355 Y HA 0.639 5.189 4.550 0.000 0.000 0.330 355 Y C 0.845 176.741 175.900 -0.006 0.000 1.133 355 Y CA -0.495 57.617 58.100 0.020 0.000 1.152 355 Y CB 1.329 39.844 38.460 0.092 0.000 1.215 355 Y HN 0.232 nan 8.280 nan 0.000 0.466 356 Q N 2.515 122.427 119.800 0.186 0.000 2.322 356 Q HA 0.363 4.703 4.340 0.000 0.000 0.265 356 Q C -0.559 175.508 176.000 0.112 0.000 0.985 356 Q CA -1.106 54.772 55.803 0.125 0.000 0.849 356 Q CB 2.124 30.940 28.738 0.131 0.000 1.274 356 Q HN 0.343 nan 8.270 nan 0.000 0.449 357 R N 3.990 124.536 120.500 0.077 0.000 2.210 357 R HA 0.326 4.666 4.340 0.000 0.000 0.338 357 R C -1.176 175.111 176.300 -0.022 0.000 1.062 357 R CA 0.050 56.188 56.100 0.063 0.000 0.902 357 R CB -0.175 30.185 30.300 0.099 0.000 1.050 357 R HN 0.645 nan 8.270 nan 0.000 0.461 358 L N 3.501 124.588 121.223 -0.227 0.000 2.332 358 L HA 0.577 4.917 4.340 0.000 0.000 0.269 358 L C -0.249 176.469 176.870 -0.254 0.000 1.016 358 L CA -0.908 53.692 54.840 -0.401 0.000 0.809 358 L CB 1.981 43.472 42.059 -0.947 0.000 1.280 358 L HN 0.493 nan 8.230 nan 0.000 0.447 359 W N 2.354 123.552 121.300 -0.170 0.000 2.781 359 W HA 0.304 4.964 4.660 0.000 0.000 0.333 359 W C -1.398 175.256 176.519 0.226 0.000 1.047 359 W CA -0.608 56.767 57.345 0.050 0.000 1.236 359 W CB 1.876 31.338 29.460 0.003 0.000 1.394 359 W HN 0.462 nan 8.180 nan 0.000 0.466 360 N N 3.782 122.255 118.700 -0.379 0.000 2.426 360 N HA 0.026 4.766 4.740 0.000 0.000 0.257 360 N C -0.046 175.012 175.510 -0.752 0.000 1.002 360 N CA 0.292 53.119 53.050 -0.372 0.000 0.942 360 N CB 1.350 39.575 38.487 -0.437 0.000 1.112 360 N HN 0.444 nan 8.380 nan 0.000 0.499 361 D N 2.272 122.507 120.400 -0.276 0.000 2.349 361 D HA 0.067 4.707 4.640 0.000 0.000 0.224 361 D C 0.999 177.232 176.300 -0.112 0.000 1.029 361 D CA 0.725 54.671 54.000 -0.090 0.000 0.879 361 D CB 0.580 41.485 40.800 0.175 0.000 0.906 361 D HN 0.394 nan 8.370 nan 0.000 0.528 362 K N -1.015 119.297 120.400 -0.147 0.000 2.141 362 K HA 0.048 4.368 4.320 0.000 0.000 0.202 362 K C 2.007 178.564 176.600 -0.071 0.000 1.045 362 K CA 1.153 57.395 56.287 -0.075 0.000 0.971 362 K CB -0.517 31.961 32.500 -0.038 0.000 0.795 362 K HN 0.236 nan 8.250 nan 0.000 0.459 363 T N -0.760 113.662 114.554 -0.220 0.000 3.088 363 T HA 0.052 4.402 4.350 0.000 0.000 0.259 363 T C 0.411 174.889 174.700 -0.371 0.000 1.122 363 T CA 0.019 61.966 62.100 -0.254 0.000 1.095 363 T CB 0.006 68.611 68.868 -0.438 0.000 0.930 363 T HN -0.020 nan 8.240 nan 0.000 0.508 364 K N 2.235 122.301 120.400 -0.556 0.000 3.150 364 K HA -0.120 4.200 4.320 0.000 0.000 0.267 364 K C -0.068 175.976 176.600 -0.927 0.000 1.028 364 K CA 1.272 57.109 56.287 -0.751 0.000 0.753 364 K CB -2.798 29.419 32.500 -0.472 0.000 1.288 364 K HN 0.890 nan 8.250 nan 0.000 0.473 365 T N -2.351 111.434 114.554 -1.281 0.000 2.903 365 T HA 0.702 5.052 4.350 0.000 0.000 0.299 365 T C -2.899 171.342 174.700 -0.766 0.000 1.093 365 T CA -1.775 59.821 62.100 -0.840 0.000 1.002 365 T CB 3.724 72.320 68.868 -0.453 0.000 1.127 365 T HN -0.148 nan 8.240 nan 0.000 0.488 366 P HA 0.555 nan 4.420 nan 0.000 0.283 366 P C -1.696 175.636 177.300 0.054 0.000 1.278 366 P CA -0.555 62.525 63.100 -0.033 0.000 0.834 366 P CB 0.747 32.344 31.700 -0.172 0.000 1.150 367 Y N -1.891 118.472 120.300 0.104 0.000 2.565 367 Y HA 0.606 5.156 4.550 0.000 0.000 0.330 367 Y C -1.861 174.184 175.900 0.240 0.000 1.150 367 Y CA -1.373 56.820 58.100 0.156 0.000 1.055 367 Y CB 0.517 39.031 38.460 0.090 0.000 1.337 367 Y HN 0.100 nan 8.280 nan 0.000 0.457 368 L N 3.590 124.934 121.223 0.203 0.000 2.325 368 L HA 0.543 4.884 4.340 0.000 0.000 0.278 368 L C -1.321 175.759 176.870 0.349 0.000 1.023 368 L CA -1.111 53.831 54.840 0.171 0.000 0.811 368 L CB 1.800 43.872 42.059 0.021 0.000 1.249 368 L HN 0.789 nan 8.230 nan 0.000 0.431 369 Y N 2.365 122.817 120.300 0.254 0.000 2.373 369 Y HA 0.345 4.895 4.550 0.000 0.000 0.336 369 Y C -0.848 175.220 175.900 0.280 0.000 0.979 369 Y CA -0.838 57.453 58.100 0.317 0.000 1.080 369 Y CB 1.136 39.765 38.460 0.280 0.000 1.190 369 Y HN 0.505 nan 8.280 nan 0.000 0.446 370 H N 6.409 125.293 119.070 -0.311 0.000 2.683 370 H HA 0.490 5.046 4.556 0.000 0.000 0.270 370 H C 0.288 175.157 175.328 -0.764 0.000 1.201 370 H CA 0.492 56.260 56.048 -0.467 0.000 1.277 370 H CB 1.321 30.850 29.762 -0.389 0.000 1.400 370 H HN 1.003 nan 8.280 nan 0.000 0.504 371 A N 3.866 126.084 122.820 -1.004 0.000 1.859 371 A HA -0.258 4.062 4.320 0.000 0.000 0.217 371 A C 2.240 179.673 177.584 -0.252 0.000 1.198 371 A CA 1.959 53.582 52.037 -0.691 0.000 0.629 371 A CB -0.612 18.206 19.000 -0.304 0.000 0.830 371 A HN 0.805 nan 8.150 nan 0.000 0.446 372 Q N -0.916 118.743 119.800 -0.235 0.000 2.133 372 Q HA -0.250 4.091 4.340 0.000 0.000 0.208 372 Q C 1.063 177.118 176.000 0.092 0.000 0.991 372 Q CA 2.103 57.881 55.803 -0.041 0.000 0.867 372 Q CB -0.128 28.587 28.738 -0.039 0.000 0.911 372 Q HN 0.659 nan 8.270 nan 0.000 0.417 373 N N -1.322 117.544 118.700 0.277 0.000 2.236 373 N HA 0.138 4.878 4.740 0.000 0.000 0.196 373 N C -0.058 175.463 175.510 0.019 0.000 1.114 373 N CA 0.897 53.985 53.050 0.063 0.000 0.859 373 N CB 1.198 39.579 38.487 -0.176 0.000 0.982 373 N HN 0.379 nan 8.380 nan 0.000 0.493 374 G N 1.045 109.867 108.800 0.037 0.000 2.289 374 G HA2 -0.239 3.721 3.960 0.000 0.000 0.280 374 G HA3 -0.239 3.721 3.960 0.000 0.000 0.280 374 G C -0.464 174.498 174.900 0.104 0.000 1.089 374 G CA -0.016 45.123 45.100 0.065 0.000 0.939 374 G HN 0.220 nan 8.290 nan 0.000 0.499 375 L N -1.023 120.288 121.223 0.146 0.000 2.330 375 L HA 0.891 5.231 4.340 0.000 0.000 0.271 375 L C -0.153 176.998 176.870 0.468 0.000 1.013 375 L CA -1.332 53.667 54.840 0.264 0.000 0.816 375 L CB 1.893 44.114 42.059 0.269 0.000 1.287 375 L HN 0.164 nan 8.230 nan 0.000 0.435 376 F N 2.192 122.336 119.950 0.323 0.000 2.557 376 F HA 0.665 5.192 4.527 0.000 0.000 0.316 376 F C -1.286 174.736 175.800 0.370 0.000 1.141 376 F CA -0.611 57.586 58.000 0.328 0.000 0.922 376 F CB 1.626 40.704 39.000 0.129 0.000 1.194 376 F HN 0.023 nan 8.300 nan 0.000 0.443 377 V N 4.603 124.288 119.914 -0.382 0.000 2.487 377 V HA 0.458 4.578 4.120 0.000 0.000 0.298 377 V C -0.348 175.473 176.094 -0.455 0.000 1.028 377 V CA -0.701 61.438 62.300 -0.270 0.000 0.860 377 V CB 1.793 33.527 31.823 -0.148 0.000 0.991 377 V HN 0.822 nan 8.190 nan 0.000 0.427 378 T N 5.526 119.957 114.554 -0.204 0.000 2.771 378 T HA 0.736 5.087 4.350 0.000 0.000 0.281 378 T C -0.929 173.917 174.700 0.242 0.000 0.982 378 T CA -0.190 61.916 62.100 0.010 0.000 0.978 378 T CB 0.356 69.311 68.868 0.145 0.000 0.930 378 T HN 0.799 nan 8.240 nan 0.000 0.447 379 Y N 1.499 121.803 120.300 0.007 0.000 2.764 379 Y HA 0.792 5.342 4.550 0.001 0.000 0.331 379 Y C -1.579 174.315 175.900 -0.009 0.000 1.280 379 Y CA -1.694 56.398 58.100 -0.014 0.000 1.065 379 Y CB 0.424 38.875 38.460 -0.014 0.000 1.319 379 Y HN 0.478 nan 8.280 nan 0.000 0.453 380 D N 0.518 120.807 120.400 -0.185 0.000 2.350 380 D HA 0.539 5.179 4.640 0.000 0.000 0.238 380 D C -1.258 174.677 176.300 -0.607 0.000 0.989 380 D CA -0.044 53.714 54.000 -0.403 0.000 0.921 380 D CB 1.819 42.523 40.800 -0.159 0.000 1.297 380 D HN 0.728 nan 8.370 nan 0.000 0.490 381 D N -1.019 118.856 120.400 -0.876 0.000 2.825 381 D HA 0.388 5.028 4.640 0.000 0.000 0.327 381 D C 0.315 176.013 176.300 -1.004 0.000 1.277 381 D CA -0.769 52.696 54.000 -0.891 0.000 0.950 381 D CB 0.248 40.893 40.800 -0.259 0.000 1.438 381 D HN 0.274 nan 8.370 nan 0.000 0.526 382 A N -0.593 121.873 122.820 -0.588 0.000 2.019 382 A HA -0.138 4.183 4.320 0.000 0.000 0.219 382 A C 1.880 179.452 177.584 -0.019 0.000 1.164 382 A CA 2.272 54.154 52.037 -0.257 0.000 0.644 382 A CB -0.857 18.061 19.000 -0.135 0.000 0.805 382 A HN 0.585 nan 8.150 nan 0.000 0.449 383 E N 0.409 120.563 120.200 -0.077 0.000 2.051 383 E HA -0.112 4.238 4.350 0.000 0.000 0.189 383 E C 2.263 178.997 176.600 0.223 0.000 0.979 383 E CA 1.570 57.960 56.400 -0.017 0.000 0.803 383 E CB -0.288 29.309 29.700 -0.172 0.000 0.761 383 E HN 0.628 nan 8.360 nan 0.000 0.451 384 S N -0.348 115.535 115.700 0.305 0.000 2.419 384 S HA -0.125 4.345 4.470 0.000 0.000 0.233 384 S C 1.692 176.552 174.600 0.433 0.000 1.016 384 S CA 0.746 59.222 58.200 0.460 0.000 0.974 384 S CB -0.560 62.725 63.200 0.142 0.000 0.786 384 S HN 0.210 nan 8.310 nan 0.000 0.492 385 F N 2.105 122.155 119.950 0.167 0.000 2.502 385 F HA 0.305 4.832 4.527 0.000 0.000 0.298 385 F C 2.219 178.082 175.800 0.106 0.000 1.111 385 F CA -0.218 57.879 58.000 0.162 0.000 1.445 385 F CB -0.613 38.470 39.000 0.139 0.000 1.081 385 F HN 0.280 nan 8.300 nan 0.000 0.558 386 K N -0.886 119.528 120.400 0.024 0.000 2.057 386 K HA -0.166 4.154 4.320 0.000 0.000 0.206 386 K C 1.909 178.330 176.600 -0.298 0.000 1.050 386 K CA 1.459 57.397 56.287 -0.582 0.000 0.935 386 K CB -0.329 31.713 32.500 -0.762 0.000 0.715 386 K HN 0.209 nan 8.250 nan 0.000 0.439 387 Y N 1.218 121.581 120.300 0.106 0.000 2.220 387 Y HA -0.094 4.456 4.550 0.000 0.000 0.291 387 Y C 2.114 178.121 175.900 0.178 0.000 1.129 387 Y CA 1.105 59.307 58.100 0.169 0.000 1.161 387 Y CB -0.056 38.533 38.460 0.216 0.000 0.997 387 Y HN -0.073 nan 8.280 nan 0.000 0.522 388 K N -0.110 120.476 120.400 0.311 0.000 2.097 388 K HA -0.092 4.228 4.320 0.000 0.000 0.205 388 K C 2.367 179.133 176.600 0.277 0.000 1.050 388 K CA 0.985 57.417 56.287 0.243 0.000 0.938 388 K CB -0.320 32.311 32.500 0.218 0.000 0.718 388 K HN 0.258 nan 8.250 nan 0.000 0.442 389 A N 1.901 124.834 122.820 0.187 0.000 1.902 389 A HA -0.222 4.098 4.320 0.000 0.000 0.217 389 A C 2.063 179.799 177.584 0.253 0.000 1.181 389 A CA 1.722 53.817 52.037 0.097 0.000 0.623 389 A CB -0.346 18.530 19.000 -0.206 0.000 0.818 389 A HN 0.225 nan 8.150 nan 0.000 0.443 390 K N -1.925 118.593 120.400 0.198 0.000 2.097 390 K HA -0.178 4.143 4.320 0.000 0.000 0.205 390 K C 1.900 178.676 176.600 0.294 0.000 1.050 390 K CA 1.487 57.907 56.287 0.223 0.000 0.938 390 K CB -0.396 32.199 32.500 0.159 0.000 0.718 390 K HN 0.489 nan 8.250 nan 0.000 0.442 391 Y N 1.479 121.903 120.300 0.206 0.000 2.128 391 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 391 Y C 1.771 177.781 175.900 0.184 0.000 1.154 391 Y CA 1.933 60.150 58.100 0.196 0.000 1.149 391 Y CB -0.163 38.382 38.460 0.141 0.000 0.976 391 Y HN 0.024 nan 8.280 nan 0.000 0.505 392 I N 0.122 120.916 120.570 0.373 0.000 2.248 392 I HA -0.377 3.793 4.170 0.000 0.000 0.248 392 I C 2.324 178.541 176.117 0.167 0.000 1.107 392 I CA 1.736 63.199 61.300 0.271 0.000 1.373 392 I CB -0.365 37.876 38.000 0.401 0.000 1.055 392 I HN 0.260 nan 8.210 nan 0.000 0.418 393 K N 0.154 120.693 120.400 0.231 0.000 2.031 393 K HA -0.147 4.173 4.320 0.000 0.000 0.205 393 K C 2.171 178.820 176.600 0.082 0.000 1.049 393 K CA 1.137 57.527 56.287 0.171 0.000 0.939 393 K CB -0.158 32.483 32.500 0.235 0.000 0.717 393 K HN 0.355 nan 8.250 nan 0.000 0.438 394 Q N 0.420 120.257 119.800 0.060 0.000 2.084 394 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 394 Q C 1.879 177.844 176.000 -0.059 0.000 0.978 394 Q CA 1.105 56.913 55.803 0.009 0.000 0.844 394 Q CB 0.134 28.883 28.738 0.018 0.000 0.898 394 Q HN 0.222 nan 8.270 nan 0.000 0.426 395 Q N 0.092 119.797 119.800 -0.158 0.000 2.444 395 Q HA -0.009 4.332 4.340 0.000 0.000 0.206 395 Q C -0.208 175.754 176.000 -0.062 0.000 0.948 395 Q CA 0.344 56.039 55.803 -0.179 0.000 0.946 395 Q CB 0.464 28.965 28.738 -0.395 0.000 1.027 395 Q HN 0.400 nan 8.270 nan 0.000 0.513 396 Q N 0.375 120.161 119.800 -0.022 0.000 2.463 396 Q HA -0.182 4.158 4.340 0.000 0.000 0.299 396 Q C -0.662 175.348 176.000 0.017 0.000 1.353 396 Q CA 0.200 56.008 55.803 0.008 0.000 0.828 396 Q CB -2.023 26.722 28.738 0.012 0.000 1.157 396 Q HN 0.349 nan 8.270 nan 0.000 0.436 397 L N -1.460 119.775 121.223 0.019 0.000 2.456 397 L HA 0.264 4.604 4.340 0.000 0.000 0.257 397 L C 1.830 178.708 176.870 0.015 0.000 1.162 397 L CA 0.526 55.387 54.840 0.036 0.000 0.808 397 L CB 0.251 42.349 42.059 0.065 0.000 1.136 397 L HN 0.349 nan 8.230 nan 0.000 0.466 398 G N -0.262 108.558 108.800 0.034 0.000 2.471 398 G HA2 0.333 4.293 3.960 0.000 0.000 0.219 398 G HA3 0.333 4.293 3.960 0.000 0.000 0.219 398 G C 0.582 175.388 174.900 -0.157 0.000 1.125 398 G CA 0.773 45.892 45.100 0.032 0.000 0.775 398 G HN 0.959 nan 8.290 nan 0.000 0.548 399 G N -2.089 106.605 108.800 -0.177 0.000 2.356 399 G HA2 0.361 4.321 3.960 0.000 0.000 0.266 399 G HA3 0.361 4.321 3.960 0.000 0.000 0.266 399 G C -1.679 173.167 174.900 -0.090 0.000 1.312 399 G CA 0.081 45.022 45.100 -0.266 0.000 0.922 399 G HN 0.857 nan 8.290 nan 0.000 0.480 400 V N 1.130 121.032 119.914 -0.020 0.000 2.914 400 V HA 0.895 5.015 4.120 0.000 0.000 0.314 400 V C -0.529 175.617 176.094 0.087 0.000 1.084 400 V CA -0.733 61.635 62.300 0.113 0.000 0.963 400 V CB 1.809 33.789 31.823 0.261 0.000 1.025 400 V HN 1.159 nan 8.190 nan 0.000 0.432 401 M N 6.561 126.240 119.600 0.132 0.000 2.591 401 M HA 0.684 5.165 4.480 0.000 0.000 0.306 401 M C -2.023 174.438 176.300 0.269 0.000 1.190 401 M CA -0.572 54.795 55.300 0.112 0.000 0.889 401 M CB 1.987 34.658 32.600 0.118 0.000 1.728 401 M HN 0.790 nan 8.290 nan 0.000 0.458 402 F N 1.776 121.783 119.950 0.096 0.000 2.619 402 F HA 0.727 5.255 4.527 0.000 0.000 0.308 402 F C -2.224 173.621 175.800 0.075 0.000 1.097 402 F CA -1.030 56.957 58.000 -0.022 0.000 0.953 402 F CB 1.185 39.874 39.000 -0.517 0.000 1.287 402 F HN 0.689 nan 8.300 nan 0.000 0.446 403 W N 5.661 127.022 121.300 0.101 0.000 2.475 403 W HA 0.562 5.223 4.660 0.000 0.000 0.320 403 W C -1.948 174.670 176.519 0.166 0.000 1.022 403 W CA -0.670 56.739 57.345 0.107 0.000 1.240 403 W CB 1.461 30.920 29.460 -0.002 0.000 1.328 403 W HN 1.027 nan 8.180 nan 0.000 0.439 404 H N 1.986 120.855 119.070 -0.336 0.000 2.985 404 H HA 0.378 4.934 4.556 0.000 0.000 0.360 404 H C 0.622 175.796 175.328 -0.257 0.000 1.221 404 H CA -0.950 54.774 56.048 -0.539 0.000 1.121 404 H CB 1.173 30.148 29.762 -1.313 0.000 1.854 404 H HN 0.253 nan 8.280 nan 0.000 0.551 405 L N 0.574 121.797 121.223 -0.000 0.000 2.103 405 L HA -0.179 4.161 4.340 0.000 0.000 0.215 405 L C 2.434 178.885 176.870 -0.699 0.000 1.080 405 L CA 1.951 56.792 54.840 0.001 0.000 0.764 405 L CB -0.640 41.567 42.059 0.248 0.000 0.890 405 L HN 1.031 nan 8.230 nan 0.000 0.435 406 G N -1.365 106.894 108.800 -0.901 0.000 2.625 406 G HA2 -0.169 3.791 3.960 0.000 0.000 0.214 406 G HA3 -0.169 3.791 3.960 0.000 0.000 0.214 406 G C 1.346 175.877 174.900 -0.615 0.000 1.132 406 G CA 0.125 44.488 45.100 -1.229 0.000 0.782 406 G HN 0.471 nan 8.290 nan 0.000 0.538 407 Q N -0.354 119.129 119.800 -0.529 0.000 2.282 407 Q HA 0.117 4.457 4.340 0.000 0.000 0.206 407 Q C 0.074 176.088 176.000 0.022 0.000 0.878 407 Q CA -0.444 55.221 55.803 -0.229 0.000 0.944 407 Q CB 0.611 29.205 28.738 -0.240 0.000 1.100 407 Q HN 0.261 nan 8.270 nan 0.000 0.509 408 D N 1.610 122.059 120.400 0.082 0.000 2.358 408 D HA -0.008 4.632 4.640 0.000 0.000 0.244 408 D C -0.121 176.226 176.300 0.080 0.000 1.163 408 D CA -0.215 53.835 54.000 0.082 0.000 0.945 408 D CB 0.727 41.615 40.800 0.147 0.000 1.152 408 D HN 0.093 nan 8.370 nan 0.000 0.451 409 N N 1.116 119.885 118.700 0.115 0.000 2.288 409 N HA -0.005 4.735 4.740 0.000 0.000 0.237 409 N C 0.917 176.487 175.510 0.101 0.000 1.311 409 N CA -0.146 52.950 53.050 0.078 0.000 0.909 409 N CB 0.368 38.895 38.487 0.066 0.000 1.167 409 N HN 0.242 nan 8.380 nan 0.000 0.476 410 R N -0.451 120.103 120.500 0.090 0.000 2.159 410 R HA -0.043 4.297 4.340 0.000 0.000 0.237 410 R C 0.527 176.892 176.300 0.110 0.000 1.131 410 R CA 0.918 57.088 56.100 0.117 0.000 0.982 410 R CB -0.590 29.759 30.300 0.080 0.000 0.868 410 R HN 0.623 nan 8.270 nan 0.000 0.453 411 N N -0.321 118.426 118.700 0.079 0.000 2.467 411 N HA -0.030 4.711 4.740 0.000 0.000 0.184 411 N C 0.619 176.173 175.510 0.073 0.000 1.106 411 N CA 0.939 54.027 53.050 0.064 0.000 0.892 411 N CB 0.428 38.938 38.487 0.038 0.000 0.969 411 N HN 0.325 nan 8.380 nan 0.000 0.454 412 G N 1.796 110.652 108.800 0.093 0.000 2.272 412 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 412 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 412 G C 0.405 175.312 174.900 0.011 0.000 1.067 412 G CA 0.403 45.559 45.100 0.093 0.000 0.902 412 G HN 0.208 nan 8.290 nan 0.000 0.500 413 D N -0.119 120.266 120.400 -0.025 0.000 2.117 413 D HA -0.067 4.574 4.640 0.000 0.000 0.197 413 D C 2.784 178.964 176.300 -0.201 0.000 0.987 413 D CA 1.079 55.028 54.000 -0.085 0.000 0.829 413 D CB -0.068 40.708 40.800 -0.040 0.000 0.961 413 D HN 0.549 nan 8.370 nan 0.000 0.460 414 L N 0.168 121.186 121.223 -0.342 0.000 2.017 414 L HA -0.166 4.174 4.340 0.000 0.000 0.208 414 L C 2.454 179.164 176.870 -0.267 0.000 1.073 414 L CA 0.612 55.166 54.840 -0.476 0.000 0.745 414 L CB -0.526 40.852 42.059 -1.135 0.000 0.894 414 L HN 0.108 nan 8.230 nan 0.000 0.432 415 L N 0.607 121.736 121.223 -0.157 0.000 2.012 415 L HA -0.163 4.178 4.340 0.000 0.000 0.210 415 L C 2.658 179.489 176.870 -0.066 0.000 1.073 415 L CA 2.105 56.928 54.840 -0.027 0.000 0.748 415 L CB -0.860 41.275 42.059 0.126 0.000 0.891 415 L HN 0.146 nan 8.230 nan 0.000 0.431 416 A N -0.380 122.388 122.820 -0.087 0.000 1.908 416 A HA -0.133 4.187 4.320 0.000 0.000 0.218 416 A C 2.473 179.894 177.584 -0.271 0.000 1.181 416 A CA 2.087 54.053 52.037 -0.118 0.000 0.627 416 A CB -1.250 17.695 19.000 -0.091 0.000 0.818 416 A HN 0.640 nan 8.150 nan 0.000 0.445 417 A N -0.126 122.465 122.820 -0.383 0.000 1.858 417 A HA -0.082 4.238 4.320 0.000 0.000 0.216 417 A C 2.188 179.109 177.584 -1.105 0.000 1.190 417 A CA 1.569 53.129 52.037 -0.795 0.000 0.617 417 A CB -0.728 17.906 19.000 -0.610 0.000 0.827 417 A HN 0.481 nan 8.150 nan 0.000 0.443 418 L N -0.523 120.349 121.223 -0.585 0.000 1.990 418 L HA -0.267 4.073 4.340 0.000 0.000 0.213 418 L C 2.496 179.172 176.870 -0.323 0.000 1.072 418 L CA 2.059 56.632 54.840 -0.445 0.000 0.755 418 L CB -0.759 41.208 42.059 -0.154 0.000 0.889 418 L HN 0.561 nan 8.230 nan 0.000 0.432 419 D N -0.079 120.239 120.400 -0.136 0.000 2.104 419 D HA -0.261 4.379 4.640 0.000 0.000 0.194 419 D C 2.303 178.567 176.300 -0.060 0.000 0.994 419 D CA 1.437 55.443 54.000 0.011 0.000 0.830 419 D CB -0.006 40.805 40.800 0.018 0.000 0.959 419 D HN 0.084 nan 8.370 nan 0.000 0.452 420 R N -1.193 119.158 120.500 -0.247 0.000 2.080 420 R HA -0.206 4.135 4.340 0.000 0.000 0.236 420 R C 2.095 178.285 176.300 -0.183 0.000 1.137 420 R CA 1.516 57.475 56.100 -0.234 0.000 0.943 420 R CB -0.502 29.569 30.300 -0.382 0.000 0.846 420 R HN 0.286 nan 8.270 nan 0.000 0.431 421 Y N -0.360 119.642 120.300 -0.498 0.000 2.256 421 Y HA -0.167 4.384 4.550 0.000 0.000 0.288 421 Y C 1.983 177.769 175.900 -0.190 0.000 1.155 421 Y CA 0.773 58.517 58.100 -0.593 0.000 1.203 421 Y CB -0.562 37.466 38.460 -0.720 0.000 0.980 421 Y HN 0.080 nan 8.280 nan 0.000 0.530 422 F N -0.701 119.346 119.950 0.161 0.000 2.446 422 F HA 0.050 4.577 4.527 0.000 0.000 0.292 422 F C 1.654 177.531 175.800 0.128 0.000 1.096 422 F CA 0.600 58.688 58.000 0.146 0.000 1.438 422 F CB -0.230 38.832 39.000 0.103 0.000 1.107 422 F HN 0.038 nan 8.300 nan 0.000 0.546 423 N N -0.459 118.405 118.700 0.273 0.000 2.239 423 N HA 0.225 4.965 4.740 0.000 0.000 0.208 423 N C 0.549 176.150 175.510 0.152 0.000 1.200 423 N CA 0.317 53.483 53.050 0.193 0.000 0.895 423 N CB 0.264 38.846 38.487 0.158 0.000 1.085 423 N HN 0.003 nan 8.380 nan 0.000 0.500 424 A N 1.026 123.934 122.820 0.146 0.000 2.488 424 A HA 0.497 4.818 4.320 0.000 0.000 0.249 424 A C 1.344 179.021 177.584 0.155 0.000 1.083 424 A CA 0.265 52.382 52.037 0.133 0.000 0.768 424 A CB 0.357 19.430 19.000 0.121 0.000 1.017 424 A HN 0.268 nan 8.150 nan 0.000 0.496 425 A N 1.988 124.875 122.820 0.112 0.000 2.119 425 A HA 0.007 4.327 4.320 0.000 0.000 0.217 425 A C 1.205 178.845 177.584 0.093 0.000 1.153 425 A CA 1.511 53.605 52.037 0.095 0.000 0.692 425 A CB -0.327 18.714 19.000 0.068 0.000 0.799 425 A HN 0.882 nan 8.150 nan 0.000 0.458 426 D N -2.673 117.793 120.400 0.109 0.000 2.358 426 D HA 0.112 4.753 4.640 0.000 0.000 0.224 426 D C -0.081 176.312 176.300 0.155 0.000 1.123 426 D CA -0.345 53.715 54.000 0.101 0.000 0.833 426 D CB -0.458 40.390 40.800 0.081 0.000 0.946 426 D HN 0.388 nan 8.370 nan 0.000 0.505 427 Y N 1.029 121.357 120.300 0.046 0.000 2.352 427 Y HA 0.482 5.033 4.550 0.001 0.000 0.339 427 Y C -1.598 174.320 175.900 0.030 0.000 0.992 427 Y CA -1.559 56.571 58.100 0.049 0.000 1.100 427 Y CB 1.797 40.318 38.460 0.102 0.000 1.192 427 Y HN -0.139 nan 8.280 nan 0.000 0.458 428 D N 4.428 124.453 120.400 -0.624 0.000 2.402 428 D HA 0.159 4.799 4.640 0.000 0.000 0.252 428 D C -0.954 174.940 176.300 -0.676 0.000 1.294 428 D CA -0.587 53.122 54.000 -0.485 0.000 0.948 428 D CB 0.770 41.439 40.800 -0.218 0.000 1.202 428 D HN 0.660 nan 8.370 nan 0.000 0.561 429 D N 1.449 121.460 120.400 -0.648 0.000 2.388 429 D HA -0.012 4.628 4.640 0.000 0.000 0.221 429 D C 1.217 177.399 176.300 -0.197 0.000 1.133 429 D CA 0.041 53.769 54.000 -0.455 0.000 0.831 429 D CB 0.004 40.599 40.800 -0.342 0.000 0.962 429 D HN 0.189 nan 8.370 nan 0.000 0.502 430 S N -0.035 115.573 115.700 -0.153 0.000 2.419 430 S HA -0.228 4.243 4.470 0.000 0.000 0.235 430 S C 1.500 176.069 174.600 -0.051 0.000 1.019 430 S CA 0.778 58.936 58.200 -0.070 0.000 0.982 430 S CB -0.304 62.863 63.200 -0.054 0.000 0.789 430 S HN 0.180 nan 8.310 nan 0.000 0.490 431 Q N 0.306 120.062 119.800 -0.074 0.000 2.247 431 Q HA 0.410 4.750 4.340 0.000 0.000 0.204 431 Q C -0.165 175.818 176.000 -0.028 0.000 0.872 431 Q CA -0.229 55.549 55.803 -0.041 0.000 0.951 431 Q CB -0.001 28.710 28.738 -0.045 0.000 1.099 431 Q HN 0.526 nan 8.270 nan 0.000 0.501 432 L N 2.850 124.043 121.223 -0.050 0.000 2.500 432 L HA 0.079 4.419 4.340 0.000 0.000 0.272 432 L C -0.276 176.652 176.870 0.097 0.000 1.149 432 L CA 0.086 54.913 54.840 -0.023 0.000 0.897 432 L CB 0.396 42.377 42.059 -0.129 0.000 1.178 432 L HN -0.113 nan 8.230 nan 0.000 0.473 433 D N 4.917 125.417 120.400 0.167 0.000 2.325 433 D HA 0.093 4.733 4.640 0.000 0.000 0.251 433 D C 0.795 177.284 176.300 0.316 0.000 1.196 433 D CA -0.174 53.941 54.000 0.192 0.000 0.866 433 D CB 0.879 41.763 40.800 0.140 0.000 1.101 433 D HN 0.479 nan 8.370 nan 0.000 0.476 434 M N 2.731 122.486 119.600 0.258 0.000 2.659 434 M HA 0.196 4.676 4.480 0.000 0.000 0.243 434 M C 1.183 177.555 176.300 0.119 0.000 1.111 434 M CA 0.365 55.853 55.300 0.312 0.000 1.070 434 M CB -1.418 31.369 32.600 0.312 0.000 1.525 434 M HN 0.634 nan 8.290 nan 0.000 0.517 435 G N 0.975 109.812 108.800 0.062 0.000 2.750 435 G HA2 -0.241 3.720 3.960 0.000 0.000 0.228 435 G HA3 -0.241 3.720 3.960 0.000 0.000 0.228 435 G C 0.204 175.034 174.900 -0.116 0.000 1.367 435 G CA 0.149 45.238 45.100 -0.018 0.000 0.871 435 G HN 0.459 nan 8.290 nan 0.000 0.560 436 T N -1.781 112.712 114.554 -0.102 0.000 3.266 436 T HA 0.618 4.968 4.350 0.000 0.000 0.278 436 T C 1.137 175.762 174.700 -0.125 0.000 1.010 436 T CA 0.975 63.004 62.100 -0.119 0.000 0.909 436 T CB 0.426 69.260 68.868 -0.057 0.000 1.122 436 T HN 1.932 nan 8.240 nan 0.000 0.536 437 G N 1.458 110.159 108.800 -0.164 0.000 2.664 437 G HA2 0.493 4.454 3.960 0.000 0.000 0.242 437 G HA3 0.493 4.454 3.960 0.000 0.000 0.242 437 G C -0.056 174.802 174.900 -0.070 0.000 1.225 437 G CA -0.843 44.224 45.100 -0.056 0.000 0.849 437 G HN 0.599 nan 8.290 nan 0.000 0.581 438 L N 0.706 121.954 121.223 0.042 0.000 2.410 438 L HA 0.282 4.622 4.340 0.000 0.000 0.273 438 L C 0.733 177.706 176.870 0.172 0.000 1.144 438 L CA -0.401 54.477 54.840 0.064 0.000 0.863 438 L CB 0.469 42.572 42.059 0.074 0.000 1.140 438 L HN 0.358 nan 8.230 nan 0.000 0.463 439 R N 1.832 122.411 120.500 0.131 0.000 2.486 439 R HA 0.275 4.616 4.340 0.000 0.000 0.286 439 R C -0.818 175.634 176.300 0.254 0.000 0.999 439 R CA -0.611 55.646 56.100 0.262 0.000 0.993 439 R CB 0.686 31.085 30.300 0.165 0.000 1.084 439 R HN 0.294 nan 8.270 nan 0.000 0.487 440 Y N 1.279 121.712 120.300 0.222 0.000 2.465 440 Y HA 0.023 4.573 4.550 0.000 0.000 0.331 440 Y C 0.853 176.825 175.900 0.120 0.000 1.102 440 Y CA 0.720 58.925 58.100 0.175 0.000 1.358 440 Y CB 0.758 39.330 38.460 0.186 0.000 1.213 440 Y HN 0.725 nan 8.280 nan 0.000 0.525 441 T N 1.620 115.961 114.554 -0.355 0.000 3.132 441 T HA 0.330 4.680 4.350 0.000 0.000 0.274 441 T C 0.793 175.325 174.700 -0.279 0.000 1.011 441 T CA -0.003 61.973 62.100 -0.206 0.000 0.899 441 T CB -0.345 68.446 68.868 -0.129 0.000 1.089 441 T HN 0.789 nan 8.240 nan 0.000 0.543 442 G N 1.758 110.235 108.800 -0.537 0.000 2.614 442 G HA2 0.468 4.428 3.960 0.000 0.000 0.239 442 G HA3 0.468 4.428 3.960 0.000 0.000 0.239 442 G C -0.292 174.554 174.900 -0.090 0.000 1.240 442 G CA 0.012 44.933 45.100 -0.298 0.000 0.842 442 G HN 1.002 nan 8.290 nan 0.000 0.584 443 V N -0.387 119.441 119.914 -0.143 0.000 2.668 443 V HA 0.889 5.009 4.120 0.000 0.000 0.304 443 V C 0.201 176.162 176.094 -0.221 0.000 1.071 443 V CA -0.294 61.932 62.300 -0.122 0.000 0.894 443 V CB 1.402 33.153 31.823 -0.122 0.000 1.008 443 V HN 1.191 nan 8.190 nan 0.000 0.425 444 G N 2.810 111.487 108.800 -0.206 0.000 2.473 444 G HA2 0.716 4.676 3.960 0.000 0.000 0.321 444 G HA3 0.716 4.676 3.960 0.000 0.000 0.321 444 G C -2.154 172.490 174.900 -0.427 0.000 1.200 444 G CA -2.106 42.752 45.100 -0.404 0.000 0.963 444 G HN 0.563 nan 8.290 nan 0.000 0.483 445 P HA -0.082 nan 4.420 nan 0.000 0.229 445 P C 1.481 178.615 177.300 -0.276 0.000 1.147 445 P CA 1.579 64.356 63.100 -0.540 0.000 0.766 445 P CB 0.307 31.544 31.700 -0.773 0.000 0.775 446 G N 0.232 108.918 108.800 -0.190 0.000 2.599 446 G HA2 -0.101 3.860 3.960 0.000 0.000 0.210 446 G HA3 -0.101 3.860 3.960 0.000 0.000 0.210 446 G C 0.834 175.718 174.900 -0.027 0.000 1.177 446 G CA -0.053 45.020 45.100 -0.045 0.000 0.835 446 G HN 0.330 nan 8.290 nan 0.000 0.575 447 N N 1.283 119.964 118.700 -0.032 0.000 2.758 447 N HA 0.181 4.921 4.740 0.000 0.000 0.293 447 N C -0.241 175.245 175.510 -0.041 0.000 1.273 447 N CA -0.229 52.813 53.050 -0.014 0.000 1.022 447 N CB -0.140 38.360 38.487 0.022 0.000 1.334 447 N HN 0.178 nan 8.380 nan 0.000 0.519 448 L N 1.104 122.292 121.223 -0.058 0.000 2.426 448 L HA 0.317 4.657 4.340 0.000 0.000 0.271 448 L C -1.618 175.221 176.870 -0.051 0.000 1.169 448 L CA -1.561 53.237 54.840 -0.071 0.000 0.836 448 L CB 0.423 42.437 42.059 -0.074 0.000 1.112 448 L HN 0.115 nan 8.230 nan 0.000 0.465 449 P HA 0.133 nan 4.420 nan 0.000 0.276 449 P C -0.582 176.690 177.300 -0.047 0.000 1.244 449 P CA -0.538 62.537 63.100 -0.041 0.000 0.801 449 P CB 0.995 32.673 31.700 -0.037 0.000 1.006 450 I N 2.232 122.777 120.570 -0.042 0.000 2.618 450 I HA 0.148 4.318 4.170 0.000 0.000 0.284 450 I C 0.973 177.068 176.117 -0.037 0.000 1.146 450 I CA 0.682 61.953 61.300 -0.047 0.000 1.425 450 I CB -0.574 37.403 38.000 -0.039 0.000 1.383 450 I HN 0.398 nan 8.210 nan 0.000 0.562 451 M N 4.604 124.180 119.600 -0.039 0.000 2.631 451 M HA 0.403 4.883 4.480 0.000 0.000 0.288 451 M C -0.644 175.648 176.300 -0.013 0.000 1.260 451 M CA -0.590 54.697 55.300 -0.022 0.000 0.842 451 M CB 2.822 35.409 32.600 -0.022 0.000 1.743 451 M HN 0.392 nan 8.290 nan 0.000 0.461 452 T N 1.298 115.854 114.554 0.003 0.000 2.881 452 T HA 0.857 5.207 4.350 0.000 0.000 0.290 452 T C -1.300 173.419 174.700 0.032 0.000 1.000 452 T CA -0.653 61.455 62.100 0.013 0.000 0.978 452 T CB 1.670 70.543 68.868 0.009 0.000 0.997 452 T HN 0.753 nan 8.240 nan 0.000 0.443 453 A N 4.104 126.952 122.820 0.047 0.000 2.610 453 A HA 0.880 5.201 4.320 0.000 0.000 0.291 453 A C -3.116 174.514 177.584 0.076 0.000 1.086 453 A CA -1.669 50.409 52.037 0.068 0.000 0.677 453 A CB 0.711 19.765 19.000 0.089 0.000 1.278 453 A HN 0.560 nan 8.150 nan 0.000 0.414 454 P HA 0.379 nan 4.420 nan 0.000 0.267 454 P C -0.016 177.347 177.300 0.104 0.000 1.200 454 P CA 0.326 63.480 63.100 0.090 0.000 0.772 454 P CB 0.613 32.377 31.700 0.107 0.000 0.855 455 A N 3.027 125.904 122.820 0.096 0.000 2.462 455 A HA 0.109 4.429 4.320 0.000 0.000 0.243 455 A C -0.280 177.386 177.584 0.137 0.000 1.076 455 A CA -0.126 51.984 52.037 0.122 0.000 0.773 455 A CB -0.557 18.503 19.000 0.099 0.000 1.010 455 A HN 0.566 nan 8.150 nan 0.000 0.493 456 Y N 2.291 122.598 120.300 0.012 0.000 2.702 456 Y HA 0.306 4.856 4.550 0.000 0.000 0.336 456 Y C -0.178 175.744 175.900 0.037 0.000 1.235 456 Y CA 0.450 58.488 58.100 -0.103 0.000 1.492 456 Y CB 0.451 38.651 38.460 -0.433 0.000 1.308 456 Y HN 0.363 nan 8.280 nan 0.000 0.589 457 V N 9.241 128.793 119.914 -0.603 0.000 2.326 457 V HA 0.296 4.417 4.120 0.000 0.000 0.281 457 V C -2.209 173.423 176.094 -0.771 0.000 1.015 457 V CA -2.104 59.907 62.300 -0.480 0.000 0.823 457 V CB 1.155 32.865 31.823 -0.188 0.000 1.009 457 V HN 0.738 nan 8.190 nan 0.000 0.436 458 P HA 0.226 nan 4.420 nan 0.000 0.266 458 P C 1.049 178.249 177.300 -0.166 0.000 1.195 458 P CA 1.361 64.283 63.100 -0.297 0.000 0.768 458 P CB 0.696 32.366 31.700 -0.049 0.000 0.838 459 G N 1.169 109.928 108.800 -0.069 0.000 2.195 459 G HA2 -0.205 3.755 3.960 0.000 0.000 0.246 459 G HA3 -0.205 3.755 3.960 0.000 0.000 0.246 459 G C 0.316 175.170 174.900 -0.077 0.000 0.984 459 G CA 0.097 45.170 45.100 -0.044 0.000 0.633 459 G HN 0.605 nan 8.290 nan 0.000 0.525 460 T N 1.514 115.984 114.554 -0.141 0.000 2.909 460 T HA 0.572 4.922 4.350 0.000 0.000 0.289 460 T C 0.146 174.724 174.700 -0.203 0.000 1.005 460 T CA 0.518 62.461 62.100 -0.261 0.000 1.084 460 T CB 1.609 70.170 68.868 -0.513 0.000 0.975 460 T HN 0.167 nan 8.240 nan 0.000 0.509 461 T N 3.106 117.498 114.554 -0.269 0.000 2.772 461 T HA 0.438 4.788 4.350 0.000 0.000 0.288 461 T C -0.852 173.678 174.700 -0.284 0.000 0.994 461 T CA -0.365 61.658 62.100 -0.130 0.000 0.951 461 T CB 0.044 68.880 68.868 -0.053 0.000 0.933 461 T HN 0.371 nan 8.240 nan 0.000 0.447 462 Y N 1.462 121.769 120.300 0.012 0.000 2.376 462 Y HA 0.620 5.170 4.550 0.000 0.000 0.325 462 Y C 0.719 176.513 175.900 -0.176 0.000 1.199 462 Y CA -0.916 57.158 58.100 -0.043 0.000 1.206 462 Y CB 0.927 39.412 38.460 0.042 0.000 1.229 462 Y HN 0.728 nan 8.280 nan 0.000 0.480 463 A N 1.785 124.590 122.820 -0.024 0.000 2.252 463 A HA 0.327 4.647 4.320 0.000 0.000 0.305 463 A C -0.393 177.125 177.584 -0.110 0.000 1.097 463 A CA -0.846 51.115 52.037 -0.127 0.000 0.849 463 A CB 0.550 19.480 19.000 -0.117 0.000 1.142 463 A HN 0.778 nan 8.150 nan 0.000 0.499 464 Q N -0.417 119.322 119.800 -0.101 0.000 2.330 464 Q HA 0.345 4.685 4.340 0.000 0.000 0.279 464 Q C 1.114 177.068 176.000 -0.077 0.000 1.024 464 Q CA 1.338 57.083 55.803 -0.097 0.000 0.900 464 Q CB 0.177 28.909 28.738 -0.010 0.000 1.221 464 Q HN 1.818 nan 8.270 nan 0.000 0.396 465 G N 2.070 110.807 108.800 -0.104 0.000 2.179 465 G HA2 -0.323 3.638 3.960 0.000 0.000 0.260 465 G HA3 -0.323 3.638 3.960 0.000 0.000 0.260 465 G C 0.207 175.096 174.900 -0.018 0.000 0.977 465 G CA 0.096 45.167 45.100 -0.049 0.000 0.641 465 G HN 1.015 nan 8.290 nan 0.000 0.533 466 A N -0.267 122.537 122.820 -0.027 0.000 2.483 466 A HA 0.671 4.991 4.320 0.000 0.000 0.238 466 A C 0.293 177.951 177.584 0.123 0.000 1.070 466 A CA 0.527 52.608 52.037 0.075 0.000 0.770 466 A CB 0.348 19.454 19.000 0.177 0.000 1.008 466 A HN 1.010 nan 8.150 nan 0.000 0.497 467 L N 1.704 123.029 121.223 0.171 0.000 2.362 467 L HA 0.718 5.058 4.340 0.000 0.000 0.271 467 L C -0.374 176.607 176.870 0.185 0.000 1.002 467 L CA -0.731 54.227 54.840 0.197 0.000 0.818 467 L CB 2.108 44.244 42.059 0.128 0.000 1.298 467 L HN 0.732 nan 8.230 nan 0.000 0.420 468 V N -0.962 119.060 119.914 0.180 0.000 3.178 468 V HA 0.779 4.899 4.120 0.000 0.000 0.302 468 V C -0.495 175.696 176.094 0.162 0.000 1.262 468 V CA -0.737 61.619 62.300 0.094 0.000 1.030 468 V CB 1.919 33.679 31.823 -0.106 0.000 1.074 468 V HN 0.734 nan 8.190 nan 0.000 0.438 469 S N 1.780 117.579 115.700 0.166 0.000 2.525 469 S HA 0.869 5.339 4.470 0.000 0.000 0.290 469 S C -1.050 173.732 174.600 0.303 0.000 1.152 469 S CA -0.563 57.772 58.200 0.224 0.000 1.072 469 S CB 1.378 64.654 63.200 0.127 0.000 1.027 469 S HN 1.763 nan 8.310 nan 0.000 0.500 470 Y N 1.209 121.632 120.300 0.204 0.000 2.333 470 Y HA 0.233 4.783 4.550 0.000 0.000 0.319 470 Y C -0.647 175.398 175.900 0.241 0.000 1.200 470 Y CA -0.463 57.691 58.100 0.089 0.000 1.084 470 Y CB 1.003 39.301 38.460 -0.270 0.000 1.268 470 Y HN 0.962 nan 8.280 nan 0.000 0.422 471 Q N 4.405 124.044 119.800 -0.268 0.000 2.451 471 Q HA -0.240 4.101 4.340 0.000 0.000 0.305 471 Q C 1.027 177.043 176.000 0.025 0.000 1.345 471 Q CA 1.415 57.108 55.803 -0.184 0.000 0.854 471 Q CB -1.653 26.901 28.738 -0.306 0.000 1.162 471 Q HN 1.642 nan 8.270 nan 0.000 0.440 472 G N -1.918 106.841 108.800 -0.068 0.000 2.176 472 G HA2 -0.331 3.629 3.960 0.000 0.000 0.253 472 G HA3 -0.331 3.629 3.960 0.000 0.000 0.253 472 G C -0.318 174.225 174.900 -0.595 0.000 0.979 472 G CA 0.437 45.357 45.100 -0.299 0.000 0.641 472 G HN 0.420 nan 8.290 nan 0.000 0.530 473 Y N -1.510 118.795 120.300 0.009 0.000 2.609 473 Y HA 0.641 5.191 4.550 0.001 0.000 0.342 473 Y C 0.149 175.970 175.900 -0.132 0.000 1.058 473 Y CA -1.163 56.822 58.100 -0.192 0.000 1.055 473 Y CB 2.139 40.247 38.460 -0.587 0.000 1.292 473 Y HN 0.091 nan 8.280 nan 0.000 0.476 474 V N 1.564 121.421 119.914 -0.095 0.000 2.398 474 V HA 0.319 4.439 4.120 0.000 0.000 0.286 474 V C -1.271 174.743 176.094 -0.133 0.000 1.026 474 V CA -0.805 61.496 62.300 0.002 0.000 0.868 474 V CB 0.527 32.349 31.823 -0.002 0.000 0.982 474 V HN 0.634 nan 8.190 nan 0.000 0.443 475 W N 2.768 124.095 121.300 0.046 0.000 2.761 475 W HA 0.730 5.390 4.660 0.000 0.000 0.340 475 W C -0.133 176.535 176.519 0.248 0.000 1.072 475 W CA -0.637 56.772 57.345 0.107 0.000 1.215 475 W CB 1.377 30.853 29.460 0.027 0.000 1.420 475 W HN 0.415 nan 8.180 nan 0.000 0.519 476 Q N 1.117 121.181 119.800 0.440 0.000 2.353 476 Q HA 0.503 4.843 4.340 0.000 0.000 0.268 476 Q C -0.277 175.711 176.000 -0.019 0.000 1.045 476 Q CA -0.609 55.320 55.803 0.210 0.000 0.811 476 Q CB 1.936 30.719 28.738 0.075 0.000 1.305 476 Q HN 0.541 nan 8.270 nan 0.000 0.447 477 T N 0.555 114.869 114.554 -0.400 0.000 2.869 477 T HA 0.299 4.649 4.350 0.000 0.000 0.295 477 T C 0.332 174.748 174.700 -0.473 0.000 0.987 477 T CA -0.547 61.064 62.100 -0.816 0.000 1.109 477 T CB 1.068 69.322 68.868 -1.024 0.000 0.932 477 T HN 0.641 nan 8.240 nan 0.000 0.518 478 K N 1.598 121.662 120.400 -0.560 0.000 2.426 478 K HA 0.254 4.574 4.320 0.000 0.000 0.193 478 K C -0.270 176.355 176.600 0.041 0.000 1.028 478 K CA -0.090 56.073 56.287 -0.207 0.000 1.047 478 K CB 0.141 32.598 32.500 -0.072 0.000 0.821 478 K HN 0.847 nan 8.250 nan 0.000 0.513 479 W N -2.071 119.144 121.300 -0.142 0.000 3.005 479 W HA 0.606 5.266 4.660 0.001 0.000 0.343 479 W C -0.274 176.183 176.519 -0.105 0.000 1.243 479 W CA -1.599 55.691 57.345 -0.092 0.000 1.186 479 W CB -0.073 29.353 29.460 -0.056 0.000 1.453 479 W HN -0.149 nan 8.180 nan 0.000 0.575 480 G N -0.382 108.570 108.800 0.254 0.000 2.621 480 G HA2 0.377 4.337 3.960 0.000 0.000 0.271 480 G HA3 0.377 4.337 3.960 0.000 0.000 0.271 480 G C -0.914 174.131 174.900 0.241 0.000 1.236 480 G CA -0.437 44.730 45.100 0.112 0.000 0.958 480 G HN 1.039 nan 8.290 nan 0.000 0.512 481 Y N -2.397 117.943 120.300 0.066 0.000 3.108 481 Y HA -0.159 4.392 4.550 0.001 0.000 0.208 481 Y C 0.574 176.522 175.900 0.081 0.000 1.245 481 Y CA -0.244 57.898 58.100 0.069 0.000 1.171 481 Y CB -1.712 36.792 38.460 0.075 0.000 1.331 481 Y HN 0.185 nan 8.280 nan 0.000 0.534 482 I N 1.114 121.737 120.570 0.088 0.000 2.379 482 I HA 0.077 4.247 4.170 0.000 0.000 0.290 482 I C 1.397 177.649 176.117 0.226 0.000 1.063 482 I CA 0.615 61.953 61.300 0.063 0.000 1.351 482 I CB 0.829 38.694 38.000 -0.225 0.000 1.410 482 I HN 0.427 nan 8.210 nan 0.000 0.505 483 T N 0.481 115.168 114.554 0.222 0.000 3.044 483 T HA 0.159 4.510 4.350 0.000 0.000 0.260 483 T C 0.660 175.514 174.700 0.256 0.000 1.019 483 T CA -0.338 61.903 62.100 0.235 0.000 0.921 483 T CB 0.004 68.969 68.868 0.162 0.000 1.053 483 T HN 0.535 nan 8.240 nan 0.000 0.533 484 S N 0.995 116.854 115.700 0.265 0.000 2.687 484 S HA 0.839 5.310 4.470 0.000 0.000 0.283 484 S C 0.218 174.873 174.600 0.091 0.000 1.170 484 S CA -0.786 57.520 58.200 0.177 0.000 1.008 484 S CB 1.304 64.577 63.200 0.121 0.000 1.026 484 S HN 0.587 nan 8.310 nan 0.000 0.541 485 A N 1.381 124.025 122.820 -0.293 0.000 2.322 485 A HA 0.691 5.011 4.320 0.000 0.000 0.269 485 A C -2.682 174.059 177.584 -1.405 0.000 1.094 485 A CA -1.954 49.372 52.037 -1.186 0.000 0.807 485 A CB -0.671 17.776 19.000 -0.922 0.000 1.047 485 A HN 0.655 nan 8.150 nan 0.000 0.487 486 P HA 0.294 nan 4.420 nan 0.000 0.268 486 P C 1.042 177.407 177.300 -1.558 0.000 1.205 486 P CA 1.791 63.509 63.100 -2.303 0.000 0.771 486 P CB 0.817 30.770 31.700 -2.911 0.000 0.858 487 G N 2.164 110.185 108.800 -1.298 0.000 2.267 487 G HA2 -0.295 3.665 3.960 0.000 0.000 0.257 487 G HA3 -0.295 3.665 3.960 0.000 0.000 0.257 487 G C 0.770 175.518 174.900 -0.253 0.000 0.998 487 G CA 0.551 45.272 45.100 -0.632 0.000 0.620 487 G HN 0.656 nan 8.290 nan 0.000 0.529 488 S N 0.736 116.259 115.700 -0.294 0.000 2.573 488 S HA 0.504 4.975 4.470 0.000 0.000 0.244 488 S C 0.024 174.595 174.600 -0.048 0.000 0.984 488 S CA 0.709 58.828 58.200 -0.134 0.000 1.001 488 S CB 0.190 63.300 63.200 -0.149 0.000 0.788 488 S HN 1.540 nan 8.310 nan 0.000 0.456 489 D N -0.722 119.671 120.400 -0.011 0.000 3.058 489 D HA -0.060 4.580 4.640 0.000 0.000 0.275 489 D C 0.588 176.941 176.300 0.089 0.000 1.089 489 D CA 0.134 54.171 54.000 0.062 0.000 0.722 489 D CB 0.444 41.292 40.800 0.081 0.000 1.454 489 D HN 0.147 nan 8.370 nan 0.000 0.453 490 S N 0.371 116.157 115.700 0.143 0.000 2.407 490 S HA -0.228 4.242 4.470 0.000 0.000 0.235 490 S C 2.121 176.721 174.600 0.000 0.000 1.036 490 S CA 2.036 60.352 58.200 0.192 0.000 1.013 490 S CB -0.735 62.686 63.200 0.367 0.000 0.820 490 S HN 0.892 nan 8.310 nan 0.000 0.476 491 A N 0.722 123.396 122.820 -0.243 0.000 1.940 491 A HA 0.078 4.398 4.320 0.000 0.000 0.219 491 A C 0.754 177.857 177.584 -0.801 0.000 1.176 491 A CA 0.734 52.159 52.037 -1.021 0.000 0.631 491 A CB -0.766 17.675 19.000 -0.932 0.000 0.814 491 A HN 0.732 nan 8.150 nan 0.000 0.446 492 W N -1.421 119.677 121.300 -0.336 0.000 2.376 492 W HA 0.563 5.224 4.660 0.000 0.000 0.322 492 W C -0.391 176.172 176.519 0.073 0.000 1.160 492 W CA -0.733 56.515 57.345 -0.162 0.000 1.218 492 W CB 1.005 30.327 29.460 -0.229 0.000 1.205 492 W HN 0.127 nan 8.180 nan 0.000 0.559 493 L N 3.463 124.903 121.223 0.361 0.000 2.325 493 L HA 0.438 4.778 4.340 0.000 0.000 0.281 493 L C -0.313 176.624 176.870 0.111 0.000 1.004 493 L CA -1.229 53.733 54.840 0.204 0.000 0.823 493 L CB 1.043 43.139 42.059 0.060 0.000 1.236 493 L HN 0.271 nan 8.230 nan 0.000 0.415 494 K N 3.626 123.898 120.400 -0.213 0.000 2.402 494 K HA 0.203 4.523 4.320 0.000 0.000 0.285 494 K C 0.695 177.072 176.600 -0.372 0.000 1.054 494 K CA 0.339 56.213 56.287 -0.687 0.000 1.001 494 K CB 0.700 32.613 32.500 -0.979 0.000 0.946 494 K HN 0.679 nan 8.250 nan 0.000 0.473 495 V N -0.055 119.697 119.914 -0.270 0.000 3.604 495 V HA 0.388 4.508 4.120 0.000 0.000 0.277 495 V C 0.567 176.579 176.094 -0.137 0.000 1.399 495 V CA 0.243 62.445 62.300 -0.163 0.000 1.034 495 V CB 0.620 32.396 31.823 -0.078 0.000 0.824 495 V HN 0.704 nan 8.190 nan 0.000 0.439 496 G N -0.078 108.636 108.800 -0.142 0.000 2.608 496 G HA2 0.623 4.584 3.960 0.000 0.000 0.291 496 G HA3 0.623 4.584 3.960 0.000 0.000 0.291 496 G C -1.651 173.215 174.900 -0.057 0.000 1.425 496 G CA -1.183 43.866 45.100 -0.084 0.000 0.787 496 G HN 0.165 nan 8.290 nan 0.000 0.484 497 R N -0.492 119.954 120.500 -0.089 0.000 2.532 497 R HA 0.592 4.933 4.340 0.000 0.000 0.295 497 R C -0.466 175.737 176.300 -0.162 0.000 0.968 497 R CA -0.680 55.301 56.100 -0.198 0.000 0.916 497 R CB 2.341 32.522 30.300 -0.199 0.000 1.124 497 R HN 0.288 nan 8.270 nan 0.000 0.463 498 V N 2.961 122.753 119.914 -0.203 0.000 2.583 498 V HA 0.222 4.343 4.120 0.000 0.000 0.287 498 V C 0.792 176.814 176.094 -0.121 0.000 1.051 498 V CA -0.195 62.031 62.300 -0.123 0.000 1.010 498 V CB 1.228 32.988 31.823 -0.106 0.000 0.988 498 V HN 0.945 nan 8.190 nan 0.000 0.478 499 A N 0.000 122.773 122.820 -0.078 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 499 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486