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 1e6z_1_A 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 WLKVGRV 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 0.000 174.614 174.600 0.024 0.000 1.055 2 S CA 0.000 58.216 58.200 0.026 0.000 1.107 2 S CB 0.000 63.219 63.200 0.032 0.000 0.593 3 T N 0.883 115.448 114.554 0.019 0.000 2.884 3 T HA 0.381 4.731 4.350 -0.000 0.000 0.298 3 T C 0.391 175.097 174.700 0.010 0.000 0.998 3 T CA -0.419 61.694 62.100 0.022 0.000 1.124 3 T CB 0.416 69.301 68.868 0.030 0.000 0.931 3 T HN 0.861 nan 8.240 nan 0.000 0.531 4 R N 2.969 123.480 120.500 0.019 0.000 2.585 4 R HA 0.077 4.417 4.340 -0.000 0.000 0.275 4 R C 0.047 176.320 176.300 -0.044 0.000 1.018 4 R CA -0.308 55.794 56.100 0.003 0.000 1.072 4 R CB 0.350 30.671 30.300 0.035 0.000 0.953 4 R HN 0.539 nan 8.270 nan 0.000 0.419 5 K N 2.442 122.737 120.400 -0.174 0.000 2.270 5 K HA 0.155 4.475 4.320 -0.000 0.000 0.276 5 K C -0.264 176.225 176.600 -0.185 0.000 1.023 5 K CA -0.082 56.002 56.287 -0.339 0.000 0.955 5 K CB 1.396 33.281 32.500 -1.025 0.000 0.975 5 K HN 0.704 nan 8.250 nan 0.000 0.471 6 A N 2.002 124.722 122.820 -0.167 0.000 2.425 6 A HA 0.351 4.671 4.320 -0.000 0.000 0.249 6 A C -0.322 177.242 177.584 -0.033 0.000 1.084 6 A CA -0.472 51.501 52.037 -0.108 0.000 0.781 6 A CB 0.436 19.160 19.000 -0.461 0.000 1.019 6 A HN 0.358 nan 8.150 nan 0.000 0.490 7 V N 4.344 124.317 119.914 0.098 0.000 2.398 7 V HA 0.267 4.387 4.120 -0.000 0.000 0.282 7 V C -0.549 175.615 176.094 0.117 0.000 1.014 7 V CA 0.034 62.449 62.300 0.192 0.000 0.838 7 V CB 0.782 32.777 31.823 0.287 0.000 1.018 7 V HN 0.709 nan 8.190 nan 0.000 0.432 8 I N 4.337 124.888 120.570 -0.031 0.000 2.330 8 I HA 0.598 4.768 4.170 -0.000 0.000 0.286 8 I C 0.814 176.595 176.117 -0.559 0.000 1.025 8 I CA -0.183 60.991 61.300 -0.210 0.000 1.197 8 I CB 1.579 39.401 38.000 -0.296 0.000 1.358 8 I HN 0.641 nan 8.210 nan 0.000 0.467 9 G N 5.243 113.626 108.800 -0.695 0.000 2.415 9 G HA2 0.507 4.467 3.960 -0.000 0.000 0.327 9 G HA3 0.507 4.467 3.960 -0.000 0.000 0.327 9 G C -1.232 173.313 174.900 -0.592 0.000 1.182 9 G CA -0.348 43.952 45.100 -1.332 0.000 0.924 9 G HN 0.335 nan 8.290 nan 0.000 0.470 10 Y N 0.672 120.683 120.300 -0.482 0.000 2.359 10 Y HA 0.281 4.831 4.550 -0.000 0.000 0.330 10 Y C -0.219 175.580 175.900 -0.169 0.000 1.143 10 Y CA 0.246 58.219 58.100 -0.211 0.000 1.318 10 Y CB 1.237 39.622 38.460 -0.125 0.000 1.234 10 Y HN 0.523 nan 8.280 nan 0.000 0.522 11 Y N 5.753 126.023 120.300 -0.050 0.000 2.345 11 Y HA 0.391 4.941 4.550 -0.000 0.000 0.331 11 Y C -1.741 174.039 175.900 -0.200 0.000 0.959 11 Y CA -1.685 56.406 58.100 -0.015 0.000 1.204 11 Y CB 0.336 38.882 38.460 0.143 0.000 1.135 11 Y HN 0.506 nan 8.280 nan 0.000 0.477 12 F N 8.349 127.715 119.950 -0.972 0.000 2.482 12 F HA 0.677 5.204 4.527 -0.000 0.000 0.331 12 F C -1.638 173.711 175.800 -0.753 0.000 1.115 12 F CA -1.427 56.036 58.000 -0.894 0.000 0.955 12 F CB 0.923 39.261 39.000 -1.104 0.000 1.136 12 F HN 0.464 nan 8.300 nan 0.000 0.452 13 I N 8.443 128.135 120.570 -1.463 0.000 2.534 13 I HA 0.471 4.641 4.170 -0.000 0.000 0.288 13 I C -2.677 172.881 176.117 -0.932 0.000 1.077 13 I CA -2.474 58.266 61.300 -0.934 0.000 1.051 13 I CB 2.193 40.060 38.000 -0.221 0.000 1.234 13 I HN 0.423 nan 8.210 nan 0.000 0.425 14 P HA 0.203 nan 4.420 nan 0.000 0.269 14 P C 0.478 177.737 177.300 -0.069 0.000 1.215 14 P CA -0.197 62.733 63.100 -0.283 0.000 0.780 14 P CB 0.662 32.304 31.700 -0.097 0.000 0.898 15 T N 1.009 115.589 114.554 0.043 0.000 2.665 15 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 15 T C 1.437 176.191 174.700 0.090 0.000 1.035 15 T CA 2.216 64.387 62.100 0.117 0.000 1.151 15 T CB -1.015 67.945 68.868 0.153 0.000 0.862 15 T HN 0.649 nan 8.240 nan 0.000 0.438 16 N N 1.532 120.270 118.700 0.063 0.000 2.364 16 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 16 N C 1.669 177.217 175.510 0.064 0.000 1.022 16 N CA 1.199 54.285 53.050 0.058 0.000 0.883 16 N CB -0.558 37.956 38.487 0.044 0.000 0.965 16 N HN 0.471 nan 8.380 nan 0.000 0.438 17 Q N -0.191 119.645 119.800 0.061 0.000 2.137 17 Q HA 0.162 4.501 4.340 -0.000 0.000 0.198 17 Q C 1.996 178.102 176.000 0.177 0.000 0.960 17 Q CA 0.741 56.599 55.803 0.093 0.000 0.847 17 Q CB 0.010 28.785 28.738 0.061 0.000 0.915 17 Q HN 0.461 nan 8.270 nan 0.000 0.448 18 I N 1.312 121.980 120.570 0.164 0.000 2.179 18 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 18 I C 1.434 177.637 176.117 0.144 0.000 1.088 18 I CA 0.817 62.227 61.300 0.184 0.000 1.357 18 I CB -0.269 37.832 38.000 0.169 0.000 1.051 18 I HN 0.190 nan 8.210 nan 0.000 0.409 19 N N 1.132 119.895 118.700 0.105 0.000 2.519 19 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 19 N C 0.558 176.115 175.510 0.079 0.000 1.062 19 N CA 0.882 53.977 53.050 0.075 0.000 0.910 19 N CB -0.266 38.257 38.487 0.060 0.000 0.958 19 N HN 0.426 nan 8.380 nan 0.000 0.445 20 N N -0.575 118.186 118.700 0.102 0.000 2.377 20 N HA -0.032 4.708 4.740 -0.000 0.000 0.259 20 N C -0.743 174.827 175.510 0.099 0.000 1.332 20 N CA -0.323 52.774 53.050 0.079 0.000 0.877 20 N CB 0.422 38.938 38.487 0.047 0.000 1.299 20 N HN 0.156 nan 8.380 nan 0.000 0.501 21 Y N 2.362 122.678 120.300 0.027 0.000 2.895 21 Y HA -0.006 4.544 4.550 -0.000 0.000 0.334 21 Y C 0.592 176.505 175.900 0.021 0.000 1.261 21 Y CA 1.025 59.146 58.100 0.034 0.000 1.560 21 Y CB 0.438 38.923 38.460 0.041 0.000 1.253 21 Y HN -0.078 nan 8.280 nan 0.000 0.582 22 T N 5.130 119.291 114.554 -0.654 0.000 2.942 22 T HA 0.292 4.641 4.350 -0.000 0.000 0.327 22 T C -0.407 173.930 174.700 -0.606 0.000 1.360 22 T CA -0.697 61.133 62.100 -0.452 0.000 1.055 22 T CB 1.090 69.839 68.868 -0.199 0.000 1.261 22 T HN 0.757 nan 8.240 nan 0.000 0.485 23 E N 1.699 121.676 120.200 -0.373 0.000 2.501 23 E HA 0.132 4.482 4.350 -0.000 0.000 0.201 23 E C 0.707 177.219 176.600 -0.147 0.000 1.016 23 E CA 0.119 56.358 56.400 -0.267 0.000 0.920 23 E CB 0.585 30.198 29.700 -0.145 0.000 1.023 23 E HN 0.744 nan 8.360 nan 0.000 0.474 24 T N -2.115 112.361 114.554 -0.130 0.000 3.145 24 T HA 0.117 4.467 4.350 -0.000 0.000 0.281 24 T C 0.082 174.743 174.700 -0.065 0.000 1.003 24 T CA -0.425 61.629 62.100 -0.077 0.000 0.901 24 T CB 0.384 69.219 68.868 -0.056 0.000 1.112 24 T HN -0.165 nan 8.240 nan 0.000 0.535 25 D N 0.570 120.922 120.400 -0.080 0.000 2.330 25 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 25 D C 0.822 177.093 176.300 -0.049 0.000 1.306 25 D CA -0.256 53.711 54.000 -0.054 0.000 0.956 25 D CB 1.620 42.391 40.800 -0.048 0.000 1.261 25 D HN -0.110 nan 8.370 nan 0.000 0.544 26 T N 0.400 114.936 114.554 -0.030 0.000 2.869 26 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 26 T C 1.762 176.460 174.700 -0.003 0.000 1.082 26 T CA 1.971 64.065 62.100 -0.009 0.000 1.123 26 T CB 0.104 68.976 68.868 0.006 0.000 0.856 26 T HN 0.453 nan 8.240 nan 0.000 0.499 27 S N -0.267 115.427 115.700 -0.010 0.000 2.561 27 S HA 0.061 4.531 4.470 -0.000 0.000 0.225 27 S C 1.703 176.299 174.600 -0.007 0.000 0.977 27 S CA 0.233 58.429 58.200 -0.006 0.000 0.926 27 S CB 0.018 63.213 63.200 -0.007 0.000 0.769 27 S HN 0.329 nan 8.310 nan 0.000 0.533 28 V N -0.017 119.887 119.914 -0.015 0.000 2.911 28 V HA 0.347 4.467 4.120 -0.000 0.000 0.237 28 V C 0.308 176.395 176.094 -0.011 0.000 1.156 28 V CA 0.253 62.544 62.300 -0.015 0.000 1.180 28 V CB 0.695 32.501 31.823 -0.028 0.000 0.932 28 V HN 0.380 nan 8.190 nan 0.000 0.483 29 V N 2.051 121.946 119.914 -0.032 0.000 2.340 29 V HA 0.309 4.429 4.120 -0.000 0.000 0.277 29 V C -1.885 174.220 176.094 0.019 0.000 1.017 29 V CA -0.955 61.337 62.300 -0.013 0.000 0.820 29 V CB 1.510 33.269 31.823 -0.106 0.000 1.028 29 V HN 0.273 nan 8.190 nan 0.000 0.436 30 P HA -0.106 nan 4.420 nan 0.000 0.215 30 P C 0.222 177.652 177.300 0.216 0.000 1.153 30 P CA 1.287 64.454 63.100 0.112 0.000 0.853 30 P CB 0.213 31.979 31.700 0.111 0.000 0.788 31 F N 0.813 120.799 119.950 0.060 0.000 2.686 31 F HA 0.410 4.937 4.527 -0.000 0.000 0.365 31 F C -2.640 173.301 175.800 0.235 0.000 1.196 31 F CA -3.027 55.046 58.000 0.122 0.000 1.198 31 F CB 0.850 39.920 39.000 0.116 0.000 1.454 31 F HN -0.174 nan 8.300 nan 0.000 0.539 32 P HA 0.088 nan 4.420 nan 0.000 0.276 32 P C 0.995 178.281 177.300 -0.023 0.000 1.252 32 P CA -0.144 63.011 63.100 0.092 0.000 0.802 32 P CB 2.024 33.658 31.700 -0.109 0.000 1.035 33 V N 1.253 121.278 119.914 0.185 0.000 2.380 33 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 33 V C 2.645 178.697 176.094 -0.069 0.000 1.063 33 V CA 2.822 65.098 62.300 -0.039 0.000 1.055 33 V CB -1.780 29.997 31.823 -0.077 0.000 0.657 33 V HN 0.737 nan 8.190 nan 0.000 0.455 34 S N 0.101 115.786 115.700 -0.025 0.000 2.465 34 S HA -0.237 4.233 4.470 -0.000 0.000 0.241 34 S C 1.560 176.105 174.600 -0.092 0.000 1.000 34 S CA 1.737 59.914 58.200 -0.038 0.000 0.964 34 S CB -0.935 62.254 63.200 -0.019 0.000 0.763 34 S HN 0.763 nan 8.310 nan 0.000 0.512 35 N N 0.820 119.381 118.700 -0.230 0.000 2.512 35 N HA 0.134 4.874 4.740 -0.000 0.000 0.183 35 N C -0.182 175.281 175.510 -0.079 0.000 1.073 35 N CA 0.470 53.376 53.050 -0.240 0.000 0.911 35 N CB -0.114 38.023 38.487 -0.583 0.000 0.964 35 N HN 0.480 nan 8.380 nan 0.000 0.447 36 I N 2.482 123.022 120.570 -0.049 0.000 2.243 36 I HA 0.003 4.173 4.170 -0.000 0.000 0.297 36 I C 0.830 176.983 176.117 0.061 0.000 1.161 36 I CA -0.392 60.971 61.300 0.106 0.000 1.298 36 I CB -0.002 38.086 38.000 0.145 0.000 1.475 36 I HN 0.014 nan 8.210 nan 0.000 0.561 37 T N 2.728 117.310 114.554 0.047 0.000 2.802 37 T HA 0.143 4.493 4.350 -0.000 0.000 0.305 37 T C -1.613 173.046 174.700 -0.068 0.000 1.053 37 T CA -1.279 60.812 62.100 -0.015 0.000 1.058 37 T CB 0.722 69.584 68.868 -0.010 0.000 0.988 37 T HN 0.205 nan 8.240 nan 0.000 0.539 38 P HA -0.086 nan 4.420 nan 0.000 0.216 38 P C 1.721 178.928 177.300 -0.154 0.000 1.153 38 P CA 1.674 64.492 63.100 -0.471 0.000 0.858 38 P CB -0.362 30.877 31.700 -0.768 0.000 0.789 39 A N -0.050 122.716 122.820 -0.090 0.000 1.908 39 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 39 A C 2.077 179.678 177.584 0.029 0.000 1.181 39 A CA 1.942 53.967 52.037 -0.020 0.000 0.627 39 A CB -1.050 17.944 19.000 -0.011 0.000 0.818 39 A HN 0.181 nan 8.150 nan 0.000 0.445 40 K N -0.437 119.995 120.400 0.053 0.000 2.103 40 K HA 0.074 4.393 4.320 -0.000 0.000 0.204 40 K C 2.244 178.924 176.600 0.132 0.000 1.052 40 K CA 0.894 57.250 56.287 0.114 0.000 0.945 40 K CB -0.269 32.328 32.500 0.163 0.000 0.722 40 K HN 0.423 nan 8.250 nan 0.000 0.443 41 A N 1.882 124.768 122.820 0.109 0.000 1.972 41 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 41 A C 1.795 179.450 177.584 0.118 0.000 1.169 41 A CA 1.437 53.553 52.037 0.131 0.000 0.635 41 A CB -0.208 18.890 19.000 0.164 0.000 0.810 41 A HN 0.173 nan 8.150 nan 0.000 0.446 42 K N -0.562 119.895 120.400 0.094 0.000 2.296 42 K HA -0.042 4.278 4.320 -0.000 0.000 0.200 42 K C 1.850 178.505 176.600 0.091 0.000 1.048 42 K CA 1.087 57.425 56.287 0.086 0.000 0.966 42 K CB -0.018 32.520 32.500 0.064 0.000 0.754 42 K HN 0.615 nan 8.250 nan 0.000 0.466 43 Q N 0.099 119.960 119.800 0.103 0.000 2.425 43 Q HA 0.114 4.454 4.340 -0.000 0.000 0.204 43 Q C -0.025 176.071 176.000 0.161 0.000 0.933 43 Q CA 0.197 56.070 55.803 0.116 0.000 0.939 43 Q CB 0.311 29.107 28.738 0.097 0.000 1.044 43 Q HN 0.197 nan 8.270 nan 0.000 0.513 44 L N 0.021 121.343 121.223 0.165 0.000 2.360 44 L HA 0.236 4.576 4.340 -0.000 0.000 0.271 44 L C 1.157 178.105 176.870 0.131 0.000 1.057 44 L CA -0.175 54.773 54.840 0.180 0.000 0.803 44 L CB 1.522 43.689 42.059 0.181 0.000 1.207 44 L HN 0.060 nan 8.230 nan 0.000 0.445 45 T N -3.652 110.987 114.554 0.142 0.000 2.978 45 T HA 0.239 4.589 4.350 -0.000 0.000 0.248 45 T C 0.222 174.873 174.700 -0.080 0.000 1.018 45 T CA 0.052 62.189 62.100 0.062 0.000 1.026 45 T CB 0.092 69.052 68.868 0.152 0.000 1.032 45 T HN 0.527 nan 8.240 nan 0.000 0.485 46 H N -0.438 118.642 119.070 0.016 0.000 2.894 46 H HA 0.692 5.248 4.556 -0.000 0.000 0.367 46 H C -1.350 173.950 175.328 -0.047 0.000 1.144 46 H CA -0.843 55.202 56.048 -0.005 0.000 1.180 46 H CB 1.765 31.501 29.762 -0.042 0.000 1.758 46 H HN 0.148 nan 8.280 nan 0.000 0.541 47 I N 2.310 122.949 120.570 0.115 0.000 2.418 47 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 47 I C -0.597 175.536 176.117 0.027 0.000 1.008 47 I CA -0.830 60.502 61.300 0.053 0.000 1.104 47 I CB 1.325 39.404 38.000 0.132 0.000 1.264 47 I HN 0.508 nan 8.210 nan 0.000 0.438 48 N N 6.497 125.092 118.700 -0.176 0.000 2.500 48 N HA 0.203 4.942 4.740 -0.000 0.000 0.236 48 N C -0.639 174.836 175.510 -0.058 0.000 1.022 48 N CA -0.259 52.631 53.050 -0.266 0.000 0.935 48 N CB 0.619 38.573 38.487 -0.888 0.000 1.147 48 N HN 0.373 nan 8.380 nan 0.000 0.512 49 F N 2.462 122.430 119.950 0.030 0.000 2.495 49 F HA 0.262 4.789 4.527 -0.000 0.000 0.365 49 F C 0.461 176.288 175.800 0.045 0.000 1.090 49 F CA -0.222 57.872 58.000 0.156 0.000 1.235 49 F CB 0.391 39.569 39.000 0.297 0.000 1.119 49 F HN 0.373 nan 8.300 nan 0.000 0.562 50 S N 4.816 120.036 115.700 -0.799 0.000 2.556 50 S HA 0.734 5.204 4.470 -0.000 0.000 0.271 50 S C -1.370 172.929 174.600 -0.503 0.000 1.135 50 S CA -0.872 56.962 58.200 -0.610 0.000 0.858 50 S CB 1.623 64.279 63.200 -0.908 0.000 1.114 50 S HN 0.452 nan 8.310 nan 0.000 0.468 51 F N 0.516 120.547 119.950 0.136 0.000 2.532 51 F HA 0.724 5.251 4.527 -0.000 0.000 0.321 51 F C -0.259 175.679 175.800 0.230 0.000 1.089 51 F CA -0.874 57.276 58.000 0.250 0.000 0.926 51 F CB 1.550 40.780 39.000 0.384 0.000 1.168 51 F HN 0.496 nan 8.300 nan 0.000 0.459 52 L N 1.316 122.755 121.223 0.360 0.000 2.492 52 L HA 0.558 4.898 4.340 -0.000 0.000 0.263 52 L C -0.352 176.610 176.870 0.153 0.000 1.062 52 L CA -0.160 54.734 54.840 0.091 0.000 0.817 52 L CB 1.062 43.041 42.059 -0.133 0.000 1.441 52 L HN 0.610 nan 8.230 nan 0.000 0.493 53 D N -1.462 118.884 120.400 -0.090 0.000 2.798 53 D HA 0.529 5.169 4.640 -0.000 0.000 0.308 53 D C -1.496 174.679 176.300 -0.208 0.000 1.187 53 D CA -0.322 53.524 54.000 -0.257 0.000 1.033 53 D CB 1.370 41.660 40.800 -0.851 0.000 1.445 53 D HN 0.249 nan 8.370 nan 0.000 0.550 54 I N 2.319 122.655 120.570 -0.390 0.000 2.410 54 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 54 I C -0.130 175.780 176.117 -0.345 0.000 1.009 54 I CA -0.876 60.159 61.300 -0.442 0.000 1.111 54 I CB 1.306 38.719 38.000 -0.977 0.000 1.262 54 I HN 0.331 nan 8.210 nan 0.000 0.443 55 N N 3.580 122.162 118.700 -0.198 0.000 2.374 55 N HA 0.084 4.824 4.740 -0.000 0.000 0.284 55 N C 1.000 176.427 175.510 -0.138 0.000 1.280 55 N CA -0.383 52.582 53.050 -0.142 0.000 0.963 55 N CB 0.204 38.649 38.487 -0.069 0.000 1.141 55 N HN 0.506 nan 8.380 nan 0.000 0.565 56 S N -2.058 113.587 115.700 -0.092 0.000 2.474 56 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 56 S C 1.093 175.651 174.600 -0.070 0.000 0.997 56 S CA 0.884 59.035 58.200 -0.081 0.000 0.949 56 S CB -0.653 62.516 63.200 -0.051 0.000 0.766 56 S HN 0.707 nan 8.310 nan 0.000 0.517 57 N N 1.294 119.960 118.700 -0.056 0.000 2.398 57 N HA 0.192 4.932 4.740 -0.000 0.000 0.188 57 N C 0.222 175.706 175.510 -0.043 0.000 1.122 57 N CA -0.030 52.997 53.050 -0.037 0.000 0.866 57 N CB -0.739 37.739 38.487 -0.015 0.000 0.970 57 N HN 0.493 nan 8.380 nan 0.000 0.462 58 L N -0.471 120.701 121.223 -0.085 0.000 3.608 58 L HA -0.260 4.080 4.340 -0.000 0.000 0.422 58 L C -0.868 175.999 176.870 -0.004 0.000 1.260 58 L CA 0.652 55.423 54.840 -0.116 0.000 0.889 58 L CB -1.926 40.066 42.059 -0.112 0.000 1.821 58 L HN 0.319 nan 8.230 nan 0.000 0.884 59 E N -0.734 119.479 120.200 0.022 0.000 2.312 59 E HA 0.403 4.753 4.350 -0.000 0.000 0.267 59 E C -0.416 176.247 176.600 0.105 0.000 0.894 59 E CA -0.853 55.621 56.400 0.123 0.000 0.773 59 E CB 2.654 32.390 29.700 0.060 0.000 1.241 59 E HN 0.271 nan 8.360 nan 0.000 0.432 60 C N 1.983 121.372 119.300 0.149 0.000 2.642 60 C HA 0.581 5.041 4.460 -0.000 0.000 0.420 60 C C 0.045 175.055 174.990 0.032 0.000 1.349 60 C CA 0.259 59.339 59.018 0.104 0.000 1.821 60 C CB -1.572 26.219 27.740 0.086 0.000 2.637 60 C HN 0.654 nan 8.230 nan 0.000 0.605 61 A N 5.092 127.904 122.820 -0.013 0.000 2.608 61 A HA 0.671 4.991 4.320 -0.000 0.000 0.292 61 A C -1.424 176.154 177.584 -0.010 0.000 1.066 61 A CA -0.659 51.394 52.037 0.026 0.000 0.676 61 A CB 0.195 19.226 19.000 0.052 0.000 1.277 61 A HN 0.913 nan 8.150 nan 0.000 0.413 62 W N 0.803 122.088 121.300 -0.025 0.000 2.129 62 W HA 0.424 5.084 4.660 -0.000 0.000 0.349 62 W C 0.628 177.166 176.519 0.031 0.000 1.279 62 W CA 0.766 58.119 57.345 0.013 0.000 1.306 62 W CB 0.448 29.899 29.460 -0.015 0.000 1.140 62 W HN 0.735 nan 8.180 nan 0.000 0.613 63 D N 1.952 122.557 120.400 0.341 0.000 2.487 63 D HA -0.038 4.602 4.640 -0.000 0.000 0.243 63 D C -1.397 175.037 176.300 0.223 0.000 1.154 63 D CA -1.102 53.053 54.000 0.257 0.000 0.876 63 D CB 1.167 42.171 40.800 0.340 0.000 1.161 63 D HN -0.037 nan 8.370 nan 0.000 0.478 64 P HA -0.113 nan 4.420 nan 0.000 0.218 64 P C 0.651 178.015 177.300 0.106 0.000 1.146 64 P CA 1.603 64.772 63.100 0.115 0.000 0.813 64 P CB 0.095 31.845 31.700 0.084 0.000 0.778 65 A N -1.607 121.286 122.820 0.121 0.000 2.238 65 A HA 0.057 4.377 4.320 -0.000 0.000 0.208 65 A C 0.833 178.475 177.584 0.096 0.000 1.177 65 A CA 0.503 52.600 52.037 0.100 0.000 0.804 65 A CB -1.193 17.870 19.000 0.105 0.000 0.823 65 A HN 0.116 nan 8.150 nan 0.000 0.482 66 T N 1.918 116.542 114.554 0.117 0.000 2.870 66 T HA 0.084 4.434 4.350 -0.000 0.000 0.300 66 T C 0.307 175.005 174.700 -0.004 0.000 0.989 66 T CA -0.351 61.800 62.100 0.085 0.000 1.139 66 T CB 0.315 69.260 68.868 0.128 0.000 0.920 66 T HN 0.415 nan 8.240 nan 0.000 0.537 67 N N 2.706 121.395 118.700 -0.019 0.000 2.416 67 N HA -0.024 4.715 4.740 -0.000 0.000 0.265 67 N C 0.767 176.198 175.510 -0.132 0.000 1.195 67 N CA -0.094 52.926 53.050 -0.049 0.000 0.943 67 N CB 0.991 39.465 38.487 -0.023 0.000 1.115 67 N HN 0.618 nan 8.380 nan 0.000 0.481 68 D N 3.963 124.270 120.400 -0.155 0.000 2.104 68 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 68 D C 1.664 177.835 176.300 -0.214 0.000 0.994 68 D CA 1.915 55.773 54.000 -0.237 0.000 0.830 68 D CB 0.144 40.849 40.800 -0.157 0.000 0.959 68 D HN 0.653 nan 8.370 nan 0.000 0.452 69 A N 0.451 123.186 122.820 -0.143 0.000 1.908 69 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 69 A C 2.120 179.624 177.584 -0.134 0.000 1.181 69 A CA 1.662 53.622 52.037 -0.127 0.000 0.627 69 A CB -0.487 18.460 19.000 -0.088 0.000 0.818 69 A HN 0.222 nan 8.150 nan 0.000 0.445 70 K N -0.444 119.887 120.400 -0.115 0.000 2.148 70 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 70 K C 2.319 178.815 176.600 -0.173 0.000 1.050 70 K CA 0.956 57.184 56.287 -0.098 0.000 0.942 70 K CB -0.304 32.178 32.500 -0.029 0.000 0.724 70 K HN 0.457 nan 8.250 nan 0.000 0.446 71 A N 1.955 124.623 122.820 -0.252 0.000 1.858 71 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 71 A C 2.113 179.489 177.584 -0.346 0.000 1.190 71 A CA 1.251 53.051 52.037 -0.395 0.000 0.617 71 A CB -0.419 18.016 19.000 -0.941 0.000 0.827 71 A HN 0.211 nan 8.150 nan 0.000 0.443 72 R N -0.635 119.702 120.500 -0.273 0.000 2.105 72 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 72 R C 1.963 178.140 176.300 -0.205 0.000 1.135 72 R CA 1.618 57.609 56.100 -0.181 0.000 0.967 72 R CB -0.453 29.738 30.300 -0.181 0.000 0.861 72 R HN 0.697 nan 8.270 nan 0.000 0.442 73 D N 0.111 120.392 120.400 -0.199 0.000 2.117 73 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 73 D C 1.737 177.882 176.300 -0.259 0.000 0.982 73 D CA 0.846 54.734 54.000 -0.187 0.000 0.828 73 D CB 0.201 40.919 40.800 -0.138 0.000 0.967 73 D HN -0.062 nan 8.370 nan 0.000 0.464 74 V N -0.219 119.487 119.914 -0.346 0.000 2.307 74 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 74 V C 2.592 178.497 176.094 -0.316 0.000 1.045 74 V CA 1.256 63.292 62.300 -0.440 0.000 1.024 74 V CB -0.327 31.268 31.823 -0.380 0.000 0.651 74 V HN 0.166 nan 8.190 nan 0.000 0.449 75 V N 0.750 120.469 119.914 -0.325 0.000 2.343 75 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 75 V C 2.333 178.258 176.094 -0.282 0.000 1.051 75 V CA 2.069 64.145 62.300 -0.373 0.000 1.036 75 V CB -0.860 30.670 31.823 -0.489 0.000 0.654 75 V HN 0.581 nan 8.190 nan 0.000 0.451 76 N N 0.352 118.909 118.700 -0.238 0.000 2.166 76 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 76 N C 1.952 177.373 175.510 -0.147 0.000 1.019 76 N CA 1.324 54.264 53.050 -0.183 0.000 0.856 76 N CB -0.373 38.020 38.487 -0.157 0.000 0.993 76 N HN 0.487 nan 8.380 nan 0.000 0.426 77 R N 0.480 120.888 120.500 -0.153 0.000 2.081 77 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 77 R C 2.283 178.519 176.300 -0.106 0.000 1.131 77 R CA 0.792 56.825 56.100 -0.112 0.000 0.960 77 R CB -0.368 29.866 30.300 -0.111 0.000 0.856 77 R HN 0.204 nan 8.270 nan 0.000 0.436 78 L N 0.109 121.246 121.223 -0.142 0.000 1.994 78 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 78 L C 2.711 179.546 176.870 -0.058 0.000 1.071 78 L CA 1.843 56.621 54.840 -0.104 0.000 0.745 78 L CB -0.940 41.059 42.059 -0.101 0.000 0.892 78 L HN 0.386 nan 8.230 nan 0.000 0.431 79 T N -2.334 112.170 114.554 -0.084 0.000 2.803 79 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 79 T C 1.844 176.505 174.700 -0.065 0.000 1.052 79 T CA 1.001 63.062 62.100 -0.065 0.000 1.136 79 T CB -0.466 68.340 68.868 -0.103 0.000 0.864 79 T HN 0.336 nan 8.240 nan 0.000 0.467 80 A N 1.531 124.305 122.820 -0.077 0.000 2.067 80 A HA 0.236 4.556 4.320 -0.000 0.000 0.219 80 A C 2.336 179.857 177.584 -0.105 0.000 1.158 80 A CA 0.895 52.879 52.037 -0.088 0.000 0.661 80 A CB -0.839 18.116 19.000 -0.076 0.000 0.801 80 A HN 0.585 nan 8.150 nan 0.000 0.452 81 L N -0.886 120.312 121.223 -0.041 0.000 2.353 81 L HA -0.164 4.176 4.340 -0.000 0.000 0.220 81 L C 2.184 179.041 176.870 -0.023 0.000 1.133 81 L CA 1.156 56.013 54.840 0.028 0.000 0.798 81 L CB -0.416 41.704 42.059 0.102 0.000 0.922 81 L HN 0.331 nan 8.230 nan 0.000 0.445 82 K N 0.435 120.805 120.400 -0.049 0.000 2.281 82 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 82 K C 2.219 178.763 176.600 -0.094 0.000 1.046 82 K CA 1.072 57.333 56.287 -0.043 0.000 0.938 82 K CB -0.225 32.254 32.500 -0.036 0.000 0.737 82 K HN 0.319 nan 8.250 nan 0.000 0.458 83 A N 1.103 123.796 122.820 -0.212 0.000 2.024 83 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 83 A C 1.394 178.834 177.584 -0.240 0.000 1.164 83 A CA 1.319 53.194 52.037 -0.270 0.000 0.643 83 A CB -0.485 18.277 19.000 -0.396 0.000 0.806 83 A HN 0.320 nan 8.150 nan 0.000 0.451 84 H N -1.845 117.229 119.070 0.007 0.000 2.553 84 H HA 0.117 4.673 4.556 -0.000 0.000 0.265 84 H C -0.153 175.185 175.328 0.016 0.000 0.964 84 H CA 0.677 56.732 56.048 0.013 0.000 1.156 84 H CB 0.177 29.951 29.762 0.019 0.000 1.411 84 H HN 0.477 nan 8.280 nan 0.000 0.558 85 N N 0.976 119.734 118.700 0.097 0.000 2.629 85 N HA 0.072 4.812 4.740 -0.000 0.000 0.277 85 N C -2.244 173.280 175.510 0.024 0.000 1.188 85 N CA -1.555 51.535 53.050 0.066 0.000 0.835 85 N CB 1.689 40.224 38.487 0.080 0.000 1.420 85 N HN -0.140 nan 8.380 nan 0.000 0.542 86 P HA -0.026 nan 4.420 nan 0.000 0.228 86 P C 0.442 177.734 177.300 -0.014 0.000 1.151 86 P CA 0.801 63.898 63.100 -0.005 0.000 0.770 86 P CB 0.494 32.192 31.700 -0.003 0.000 0.786 87 S N -0.834 114.860 115.700 -0.010 0.000 2.517 87 S HA 0.085 4.555 4.470 -0.000 0.000 0.214 87 S C 0.816 175.373 174.600 -0.072 0.000 0.991 87 S CA -0.459 57.722 58.200 -0.033 0.000 0.906 87 S CB -0.495 62.696 63.200 -0.014 0.000 0.789 87 S HN 0.075 nan 8.310 nan 0.000 0.513 88 L N 3.251 124.449 121.223 -0.042 0.000 2.525 88 L HA 0.152 4.492 4.340 -0.000 0.000 0.278 88 L C 0.092 176.920 176.870 -0.070 0.000 1.218 88 L CA 0.801 55.611 54.840 -0.051 0.000 0.878 88 L CB 0.189 42.254 42.059 0.010 0.000 1.127 88 L HN 0.041 nan 8.230 nan 0.000 0.492 89 R N 5.693 126.128 120.500 -0.109 0.000 2.561 89 R HA 0.504 4.844 4.340 -0.000 0.000 0.297 89 R C -1.183 175.172 176.300 0.092 0.000 0.969 89 R CA -0.917 55.169 56.100 -0.024 0.000 0.879 89 R CB 1.583 31.830 30.300 -0.088 0.000 1.178 89 R HN 0.483 nan 8.270 nan 0.000 0.445 90 I N 4.975 125.649 120.570 0.174 0.000 2.282 90 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 90 I C 0.344 176.710 176.117 0.415 0.000 1.090 90 I CA -0.239 61.224 61.300 0.272 0.000 1.231 90 I CB 0.449 38.608 38.000 0.265 0.000 1.434 90 I HN 0.499 nan 8.210 nan 0.000 0.487 91 M N 6.209 125.978 119.600 0.282 0.000 2.197 91 M HA 0.424 4.904 4.480 -0.000 0.000 0.305 91 M C -0.233 176.089 176.300 0.037 0.000 1.162 91 M CA -0.364 55.033 55.300 0.161 0.000 1.099 91 M CB 0.913 33.535 32.600 0.036 0.000 1.430 91 M HN 0.378 nan 8.290 nan 0.000 0.481 92 F N -1.328 118.371 119.950 -0.420 0.000 2.551 92 F HA 0.740 5.267 4.527 -0.000 0.000 0.316 92 F C -0.690 174.972 175.800 -0.230 0.000 1.089 92 F CA -0.969 56.679 58.000 -0.588 0.000 0.915 92 F CB 1.024 39.125 39.000 -1.499 0.000 1.186 92 F HN 0.396 nan 8.300 nan 0.000 0.456 93 S N 3.896 119.575 115.700 -0.034 0.000 2.451 93 S HA 0.660 5.130 4.470 -0.000 0.000 0.301 93 S C -0.408 174.373 174.600 0.303 0.000 1.116 93 S CA -0.624 57.634 58.200 0.098 0.000 1.093 93 S CB 0.986 64.373 63.200 0.311 0.000 1.017 93 S HN 0.566 nan 8.310 nan 0.000 0.482 94 I N 3.069 123.794 120.570 0.258 0.000 2.339 94 I HA 0.635 4.805 4.170 -0.000 0.000 0.290 94 I C 0.947 177.300 176.117 0.393 0.000 0.994 94 I CA -0.105 61.397 61.300 0.336 0.000 1.191 94 I CB 0.816 38.984 38.000 0.279 0.000 1.343 94 I HN 0.916 nan 8.210 nan 0.000 0.458 95 G N 4.387 113.423 108.800 0.394 0.000 2.637 95 G HA2 0.303 4.263 3.960 -0.000 0.000 0.211 95 G HA3 0.303 4.263 3.960 -0.000 0.000 0.211 95 G C 0.035 174.669 174.900 -0.443 0.000 1.213 95 G CA 0.051 45.215 45.100 0.106 0.000 1.207 95 G HN 1.541 nan 8.290 nan 0.000 0.559 96 G N -1.945 106.472 108.800 -0.637 0.000 2.699 96 G HA2 0.087 4.047 3.960 -0.000 0.000 0.686 96 G HA3 0.087 4.047 3.960 -0.000 0.000 0.686 96 G C 0.740 175.260 174.900 -0.633 0.000 1.301 96 G CA 0.486 44.937 45.100 -1.082 0.000 0.816 96 G HN 1.953 nan 8.290 nan 0.000 0.595 97 W N 0.473 121.372 121.300 -0.667 0.000 2.317 97 W HA -0.226 4.433 4.660 -0.000 0.000 0.318 97 W C 2.084 178.357 176.519 -0.410 0.000 1.227 97 W CA 2.705 59.751 57.345 -0.500 0.000 1.269 97 W CB -0.386 28.820 29.460 -0.423 0.000 1.155 97 W HN 0.717 nan 8.180 nan 0.000 0.484 98 Y N 0.521 120.577 120.300 -0.407 0.000 2.053 98 Y HA -0.371 4.179 4.550 -0.000 0.000 0.277 98 Y C 2.542 178.182 175.900 -0.433 0.000 1.159 98 Y CA 2.933 60.778 58.100 -0.426 0.000 1.125 98 Y CB -1.387 36.804 38.460 -0.449 0.000 0.969 98 Y HN -0.083 nan 8.280 nan 0.000 0.492 99 Y N -0.414 119.678 120.300 -0.347 0.000 2.200 99 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 99 Y C 2.875 178.450 175.900 -0.542 0.000 1.137 99 Y CA 1.457 59.336 58.100 -0.367 0.000 1.163 99 Y CB -1.052 37.335 38.460 -0.122 0.000 0.988 99 Y HN 0.305 nan 8.280 nan 0.000 0.518 100 S N -0.216 115.135 115.700 -0.582 0.000 2.539 100 S HA 0.098 4.568 4.470 -0.000 0.000 0.221 100 S C 0.300 174.519 174.600 -0.635 0.000 0.987 100 S CA -0.410 57.291 58.200 -0.832 0.000 0.929 100 S CB -1.269 61.113 63.200 -1.363 0.000 0.832 100 S HN 0.505 nan 8.310 nan 0.000 0.492 101 N N 1.550 119.716 118.700 -0.889 0.000 2.326 101 N HA 0.083 4.823 4.740 -0.000 0.000 0.239 101 N C 0.230 175.257 175.510 -0.805 0.000 1.301 101 N CA 0.003 52.407 53.050 -1.077 0.000 0.909 101 N CB 0.179 37.312 38.487 -2.256 0.000 1.156 101 N HN -0.178 nan 8.380 nan 0.000 0.462 102 D N -0.134 119.820 120.400 -0.742 0.000 2.203 102 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 102 D C 1.044 176.895 176.300 -0.749 0.000 0.997 102 D CA 1.413 54.858 54.000 -0.926 0.000 0.863 102 D CB -0.131 40.409 40.800 -0.434 0.000 0.928 102 D HN 0.537 nan 8.370 nan 0.000 0.458 103 L N -0.468 120.435 121.223 -0.534 0.000 2.769 103 L HA 0.327 4.667 4.340 -0.000 0.000 0.240 103 L C 1.314 177.961 176.870 -0.371 0.000 1.163 103 L CA -0.506 54.120 54.840 -0.357 0.000 0.962 103 L CB 0.484 42.400 42.059 -0.239 0.000 1.258 103 L HN -0.148 nan 8.230 nan 0.000 0.513 104 G N 0.244 108.751 108.800 -0.488 0.000 2.599 104 G HA2 0.279 4.239 3.960 -0.000 0.000 0.264 104 G HA3 0.279 4.239 3.960 -0.000 0.000 0.264 104 G C 1.197 175.894 174.900 -0.338 0.000 1.200 104 G CA 0.073 44.867 45.100 -0.511 0.000 0.896 104 G HN -0.005 nan 8.290 nan 0.000 0.536 105 V N -2.013 117.670 119.914 -0.384 0.000 2.626 105 V HA -0.028 4.092 4.120 -0.000 0.000 0.252 105 V C 1.670 177.715 176.094 -0.082 0.000 1.067 105 V CA 2.093 64.276 62.300 -0.195 0.000 1.081 105 V CB -0.233 31.492 31.823 -0.164 0.000 0.686 105 V HN 0.429 nan 8.190 nan 0.000 0.468 106 S N -1.218 114.449 115.700 -0.056 0.000 2.650 106 S HA 0.219 4.689 4.470 -0.000 0.000 0.240 106 S C 1.389 176.007 174.600 0.030 0.000 1.007 106 S CA 0.091 58.289 58.200 -0.003 0.000 0.984 106 S CB -0.585 62.639 63.200 0.040 0.000 0.910 106 S HN 0.792 nan 8.310 nan 0.000 0.509 107 H N 2.612 121.591 119.070 -0.152 0.000 2.321 107 H HA -0.226 4.330 4.556 -0.000 0.000 0.295 107 H C 2.193 177.445 175.328 -0.127 0.000 1.102 107 H CA 1.975 57.906 56.048 -0.195 0.000 1.266 107 H CB -0.147 29.487 29.762 -0.214 0.000 1.363 107 H HN 0.487 nan 8.280 nan 0.000 0.492 108 A N 1.152 123.858 122.820 -0.191 0.000 1.948 108 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 108 A C 2.218 179.638 177.584 -0.274 0.000 1.177 108 A CA 1.802 53.702 52.037 -0.229 0.000 0.636 108 A CB -0.453 18.484 19.000 -0.105 0.000 0.815 108 A HN 0.559 nan 8.150 nan 0.000 0.449 109 N N -1.042 117.504 118.700 -0.257 0.000 2.166 109 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 109 N C 1.436 176.598 175.510 -0.580 0.000 1.019 109 N CA 1.674 54.508 53.050 -0.361 0.000 0.856 109 N CB -0.635 37.628 38.487 -0.373 0.000 0.993 109 N HN 0.666 nan 8.380 nan 0.000 0.426 110 Y N 0.942 120.799 120.300 -0.738 0.000 2.133 110 Y HA -0.081 4.469 4.550 -0.000 0.000 0.287 110 Y C 2.512 177.823 175.900 -0.983 0.000 1.134 110 Y CA 0.685 58.095 58.100 -1.151 0.000 1.133 110 Y CB -0.820 36.515 38.460 -1.874 0.000 0.987 110 Y HN -0.192 nan 8.280 nan 0.000 0.502 111 V N 0.610 120.169 119.914 -0.592 0.000 2.282 111 V HA -0.372 3.748 4.120 -0.000 0.000 0.249 111 V C 1.643 177.653 176.094 -0.140 0.000 1.057 111 V CA 2.489 64.677 62.300 -0.187 0.000 1.032 111 V CB -0.847 30.865 31.823 -0.185 0.000 0.645 111 V HN 0.501 nan 8.190 nan 0.000 0.447 112 N N -0.013 118.560 118.700 -0.213 0.000 2.270 112 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 112 N C 1.863 177.272 175.510 -0.168 0.000 1.016 112 N CA 0.983 53.940 53.050 -0.155 0.000 0.870 112 N CB -0.284 38.113 38.487 -0.150 0.000 0.979 112 N HN 0.485 nan 8.380 nan 0.000 0.431 113 A N 0.832 123.476 122.820 -0.294 0.000 1.969 113 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 113 A C 2.098 179.576 177.584 -0.178 0.000 1.169 113 A CA 1.299 53.149 52.037 -0.311 0.000 0.635 113 A CB -0.516 18.074 19.000 -0.683 0.000 0.810 113 A HN 0.245 nan 8.150 nan 0.000 0.445 114 V N -3.491 116.353 119.914 -0.116 0.000 3.647 114 V HA 0.181 4.301 4.120 -0.000 0.000 0.279 114 V C 1.611 177.745 176.094 0.066 0.000 1.314 114 V CA 1.000 63.327 62.300 0.045 0.000 1.125 114 V CB -0.450 31.497 31.823 0.207 0.000 0.907 114 V HN 0.404 nan 8.190 nan 0.000 0.434 115 K N 1.708 122.123 120.400 0.025 0.000 2.026 115 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 115 K C 1.148 177.767 176.600 0.032 0.000 1.048 115 K CA 1.896 58.201 56.287 0.030 0.000 0.929 115 K CB -0.068 32.434 32.500 0.004 0.000 0.713 115 K HN 0.793 nan 8.250 nan 0.000 0.439 116 T N -3.852 110.718 114.554 0.026 0.000 2.916 116 T HA 0.285 4.635 4.350 -0.000 0.000 0.292 116 T C -2.473 172.247 174.700 0.034 0.000 1.064 116 T CA -2.041 60.075 62.100 0.028 0.000 1.011 116 T CB 1.861 70.739 68.868 0.018 0.000 1.152 116 T HN -0.255 nan 8.240 nan 0.000 0.510 117 P HA -0.056 nan 4.420 nan 0.000 0.217 117 P C 1.525 178.844 177.300 0.032 0.000 1.148 117 P CA 1.604 64.724 63.100 0.032 0.000 0.828 117 P CB -0.182 31.532 31.700 0.024 0.000 0.783 118 A N -0.217 122.618 122.820 0.026 0.000 1.897 118 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 118 A C 2.398 180.002 177.584 0.033 0.000 1.181 118 A CA 2.039 54.091 52.037 0.025 0.000 0.620 118 A CB -1.523 17.487 19.000 0.016 0.000 0.821 118 A HN 0.322 nan 8.150 nan 0.000 0.443 119 S N 0.058 115.777 115.700 0.032 0.000 2.368 119 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 119 S C 2.051 176.703 174.600 0.086 0.000 1.029 119 S CA 1.163 59.385 58.200 0.037 0.000 0.988 119 S CB -0.501 62.702 63.200 0.005 0.000 0.838 119 S HN 0.584 nan 8.310 nan 0.000 0.462 120 R N 1.566 122.120 120.500 0.090 0.000 2.073 120 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 120 R C 2.849 179.227 176.300 0.129 0.000 1.134 120 R CA 1.358 57.544 56.100 0.144 0.000 0.952 120 R CB -0.966 29.398 30.300 0.106 0.000 0.850 120 R HN 0.578 nan 8.270 nan 0.000 0.433 121 A N 1.680 124.543 122.820 0.071 0.000 1.883 121 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 121 A C 2.114 179.719 177.584 0.036 0.000 1.186 121 A CA 1.796 53.857 52.037 0.040 0.000 0.624 121 A CB -0.466 18.549 19.000 0.026 0.000 0.822 121 A HN 0.272 nan 8.150 nan 0.000 0.444 122 K N -1.740 118.693 120.400 0.054 0.000 2.097 122 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 122 K C 1.803 178.447 176.600 0.073 0.000 1.049 122 K CA 1.674 57.991 56.287 0.049 0.000 0.933 122 K CB -0.321 32.209 32.500 0.051 0.000 0.717 122 K HN 0.414 nan 8.250 nan 0.000 0.442 123 F N 1.249 121.182 119.950 -0.029 0.000 2.084 123 F HA -0.037 4.490 4.527 -0.000 0.000 0.296 123 F C 2.009 177.798 175.800 -0.017 0.000 1.111 123 F CA 1.374 59.350 58.000 -0.039 0.000 1.224 123 F CB -0.812 38.155 39.000 -0.054 0.000 0.991 123 F HN 0.067 nan 8.300 nan 0.000 0.471 124 A N 0.275 122.943 122.820 -0.254 0.000 1.940 124 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 124 A C 2.185 179.627 177.584 -0.236 0.000 1.176 124 A CA 1.769 53.617 52.037 -0.316 0.000 0.631 124 A CB -0.829 18.106 19.000 -0.108 0.000 0.814 124 A HN 0.542 nan 8.150 nan 0.000 0.446 125 Q N 0.146 119.866 119.800 -0.133 0.000 2.084 125 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 125 Q C 2.608 178.549 176.000 -0.098 0.000 0.978 125 Q CA 1.982 57.732 55.803 -0.088 0.000 0.844 125 Q CB -0.625 28.088 28.738 -0.043 0.000 0.898 125 Q HN 0.857 nan 8.270 nan 0.000 0.426 126 S N -0.425 115.204 115.700 -0.117 0.000 2.399 126 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 126 S C 2.336 176.879 174.600 -0.095 0.000 1.022 126 S CA 1.261 59.413 58.200 -0.081 0.000 0.983 126 S CB -0.702 62.474 63.200 -0.041 0.000 0.803 126 S HN 0.347 nan 8.310 nan 0.000 0.480 127 C N 1.136 120.303 119.300 -0.222 0.000 2.453 127 C HA 0.052 4.512 4.460 -0.000 0.000 0.277 127 C C 2.819 177.842 174.990 0.054 0.000 1.262 127 C CA 0.649 59.620 59.018 -0.079 0.000 1.718 127 C CB -1.394 26.173 27.740 -0.288 0.000 2.031 127 C HN 0.540 nan 8.230 nan 0.000 0.480 128 V N 0.985 120.871 119.914 -0.046 0.000 2.427 128 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 128 V C 2.618 178.699 176.094 -0.022 0.000 1.051 128 V CA 2.112 64.388 62.300 -0.040 0.000 1.048 128 V CB -0.782 30.992 31.823 -0.082 0.000 0.666 128 V HN 0.519 nan 8.190 nan 0.000 0.456 129 R N 0.018 120.508 120.500 -0.017 0.000 2.073 129 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 129 R C 2.300 178.628 176.300 0.047 0.000 1.134 129 R CA 1.700 57.801 56.100 0.001 0.000 0.952 129 R CB -0.205 30.096 30.300 0.001 0.000 0.850 129 R HN 0.325 nan 8.270 nan 0.000 0.433 130 I N 1.113 121.720 120.570 0.062 0.000 2.208 130 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 130 I C 2.523 178.707 176.117 0.111 0.000 1.097 130 I CA 1.439 62.802 61.300 0.104 0.000 1.363 130 I CB -0.888 37.041 38.000 -0.118 0.000 1.051 130 I HN 0.456 nan 8.210 nan 0.000 0.413 131 M N 0.350 120.001 119.600 0.086 0.000 2.080 131 M HA -0.255 4.225 4.480 -0.000 0.000 0.260 131 M C 2.193 178.578 176.300 0.142 0.000 1.068 131 M CA 1.865 57.312 55.300 0.244 0.000 1.109 131 M CB -0.117 32.642 32.600 0.267 0.000 1.342 131 M HN 0.000 nan 8.290 nan 0.000 0.405 132 K N 0.177 120.590 120.400 0.022 0.000 2.103 132 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 132 K C 1.643 178.217 176.600 -0.042 0.000 1.052 132 K CA 1.487 57.758 56.287 -0.027 0.000 0.945 132 K CB -0.809 31.657 32.500 -0.057 0.000 0.722 132 K HN 0.427 nan 8.250 nan 0.000 0.443 133 D N -0.232 120.145 120.400 -0.039 0.000 2.117 133 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 133 D C 1.346 177.423 176.300 -0.372 0.000 0.987 133 D CA 1.285 55.172 54.000 -0.188 0.000 0.829 133 D CB 0.027 40.721 40.800 -0.178 0.000 0.961 133 D HN 0.192 nan 8.370 nan 0.000 0.460 134 Y N -0.985 119.238 120.300 -0.128 0.000 2.482 134 Y HA 0.308 4.858 4.550 -0.000 0.000 0.270 134 Y C 1.793 177.427 175.900 -0.444 0.000 1.152 134 Y CA 0.478 58.405 58.100 -0.287 0.000 1.292 134 Y CB 0.630 38.919 38.460 -0.284 0.000 1.070 134 Y HN 0.107 nan 8.280 nan 0.000 0.528 135 G N -0.497 108.195 108.800 -0.180 0.000 2.132 135 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.228 135 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.228 135 G C -0.067 174.773 174.900 -0.101 0.000 1.000 135 G CA -0.454 44.558 45.100 -0.146 0.000 0.693 135 G HN 0.136 nan 8.290 nan 0.000 0.515 136 F N 0.602 120.620 119.950 0.114 0.000 2.440 136 F HA 0.407 4.934 4.527 -0.000 0.000 0.323 136 F C 1.414 177.351 175.800 0.229 0.000 1.192 136 F CA -0.102 58.012 58.000 0.188 0.000 1.252 136 F CB 0.588 39.782 39.000 0.323 0.000 1.214 136 F HN -0.004 nan 8.300 nan 0.000 0.578 137 D N 0.172 120.865 120.400 0.488 0.000 2.398 137 D HA 0.278 4.918 4.640 -0.000 0.000 0.210 137 D C 0.623 177.186 176.300 0.438 0.000 1.094 137 D CA 0.427 54.692 54.000 0.441 0.000 0.839 137 D CB 0.777 41.742 40.800 0.274 0.000 0.963 137 D HN 0.606 nan 8.370 nan 0.000 0.506 138 G N -0.313 108.696 108.800 0.349 0.000 2.466 138 G HA2 0.377 4.337 3.960 -0.000 0.000 0.291 138 G HA3 0.377 4.337 3.960 -0.000 0.000 0.291 138 G C -1.781 173.101 174.900 -0.031 0.000 1.460 138 G CA -0.549 44.666 45.100 0.193 0.000 0.791 138 G HN -0.075 nan 8.290 nan 0.000 0.505 139 V N 0.602 120.406 119.914 -0.184 0.000 2.495 139 V HA 0.624 4.744 4.120 -0.000 0.000 0.298 139 V C -0.917 174.964 176.094 -0.355 0.000 1.031 139 V CA -0.447 61.528 62.300 -0.542 0.000 0.871 139 V CB 1.720 33.320 31.823 -0.372 0.000 0.988 139 V HN 0.865 nan 8.190 nan 0.000 0.432 140 D N 4.055 124.195 120.400 -0.432 0.000 2.492 140 D HA 0.536 5.176 4.640 -0.000 0.000 0.248 140 D C -0.830 175.439 176.300 -0.052 0.000 1.101 140 D CA -0.314 53.593 54.000 -0.156 0.000 0.840 140 D CB 1.301 42.037 40.800 -0.107 0.000 1.209 140 D HN 0.437 nan 8.370 nan 0.000 0.524 141 I N 3.015 123.634 120.570 0.081 0.000 2.339 141 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 141 I C -0.573 175.708 176.117 0.274 0.000 0.994 141 I CA -0.670 60.765 61.300 0.224 0.000 1.191 141 I CB 1.712 39.905 38.000 0.322 0.000 1.343 141 I HN 0.378 nan 8.210 nan 0.000 0.458 142 D N 6.096 126.657 120.400 0.268 0.000 2.683 142 D HA 0.108 4.748 4.640 -0.000 0.000 0.309 142 D C -0.771 175.549 176.300 0.033 0.000 1.238 142 D CA -0.248 53.852 54.000 0.166 0.000 0.936 142 D CB 0.412 41.342 40.800 0.216 0.000 1.001 142 D HN 0.341 nan 8.370 nan 0.000 0.505 143 W N 2.344 123.533 121.300 -0.184 0.000 2.332 143 W HA 0.302 4.962 4.660 -0.000 0.000 0.306 143 W C -0.558 175.571 176.519 -0.650 0.000 1.149 143 W CA -1.179 55.913 57.345 -0.421 0.000 1.271 143 W CB 0.339 29.626 29.460 -0.288 0.000 1.243 143 W HN 0.153 nan 8.180 nan 0.000 0.459 144 E N 6.655 126.591 120.200 -0.439 0.000 2.400 144 E HA 0.232 4.582 4.350 -0.000 0.000 0.232 144 E C -1.485 174.712 176.600 -0.672 0.000 0.988 144 E CA -0.283 55.331 56.400 -1.309 0.000 0.823 144 E CB 0.674 29.690 29.700 -1.140 0.000 1.246 144 E HN 0.250 nan 8.360 nan 0.000 0.441 145 Y N 0.366 120.512 120.300 -0.258 0.000 2.581 145 Y HA 0.298 4.848 4.550 -0.000 0.000 0.337 145 Y C -2.445 172.927 175.900 -0.879 0.000 1.108 145 Y CA -2.823 54.960 58.100 -0.529 0.000 1.033 145 Y CB 1.381 39.674 38.460 -0.278 0.000 1.318 145 Y HN 0.212 nan 8.280 nan 0.000 0.459 146 P HA 0.100 nan 4.420 nan 0.000 0.271 146 P C -1.142 175.868 177.300 -0.484 0.000 1.216 146 P CA -0.092 62.114 63.100 -1.490 0.000 0.776 146 P CB 1.087 31.572 31.700 -2.024 0.000 0.881 147 Q N 1.180 120.847 119.800 -0.222 0.000 2.199 147 Q HA 0.417 4.757 4.340 -0.000 0.000 0.232 147 Q C 1.679 177.649 176.000 -0.050 0.000 0.969 147 Q CA -0.732 55.033 55.803 -0.063 0.000 0.925 147 Q CB 0.633 29.382 28.738 0.019 0.000 1.198 147 Q HN 0.434 nan 8.270 nan 0.000 0.494 148 A N 1.089 123.898 122.820 -0.017 0.000 1.954 148 A HA -0.318 4.002 4.320 -0.000 0.000 0.222 148 A C 1.981 179.569 177.584 0.006 0.000 1.199 148 A CA 2.576 54.610 52.037 -0.005 0.000 0.657 148 A CB -1.105 17.890 19.000 -0.009 0.000 0.823 148 A HN 0.818 nan 8.150 nan 0.000 0.463 149 A N -0.898 121.930 122.820 0.013 0.000 2.119 149 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 149 A C 1.680 179.287 177.584 0.038 0.000 1.152 149 A CA 1.191 53.244 52.037 0.027 0.000 0.708 149 A CB -0.283 18.736 19.000 0.032 0.000 0.805 149 A HN 0.682 nan 8.150 nan 0.000 0.460 150 E N -0.370 119.845 120.200 0.025 0.000 2.474 150 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 150 E C 1.446 178.065 176.600 0.031 0.000 1.041 150 E CA 0.277 56.708 56.400 0.050 0.000 0.874 150 E CB 0.127 29.866 29.700 0.066 0.000 0.914 150 E HN 0.353 nan 8.360 nan 0.000 0.498 151 V N 2.099 122.016 119.914 0.006 0.000 2.261 151 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 151 V C 1.696 177.866 176.094 0.127 0.000 1.047 151 V CA 2.040 64.375 62.300 0.057 0.000 1.015 151 V CB -0.358 31.502 31.823 0.062 0.000 0.642 151 V HN 0.222 nan 8.190 nan 0.000 0.446 152 D N 0.673 121.126 120.400 0.089 0.000 2.182 152 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 152 D C 2.162 178.520 176.300 0.097 0.000 0.986 152 D CA 1.653 55.701 54.000 0.080 0.000 0.847 152 D CB -0.504 40.330 40.800 0.057 0.000 0.942 152 D HN 0.502 nan 8.370 nan 0.000 0.467 153 G N -0.066 108.808 108.800 0.123 0.000 2.403 153 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 153 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 153 G C 1.446 176.472 174.900 0.209 0.000 1.154 153 G CA 0.117 45.303 45.100 0.143 0.000 0.784 153 G HN 0.219 nan 8.290 nan 0.000 0.538 154 F N 1.603 121.596 119.950 0.071 0.000 2.102 154 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 154 F C 2.423 178.259 175.800 0.060 0.000 1.105 154 F CA 1.016 59.069 58.000 0.088 0.000 1.239 154 F CB -0.256 38.713 39.000 -0.051 0.000 0.991 154 F HN 0.101 nan 8.300 nan 0.000 0.474 155 I N 0.196 120.786 120.570 0.034 0.000 2.179 155 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 155 I C 2.688 178.765 176.117 -0.066 0.000 1.088 155 I CA 1.300 62.550 61.300 -0.082 0.000 1.357 155 I CB -0.985 37.020 38.000 0.008 0.000 1.051 155 I HN 0.226 nan 8.210 nan 0.000 0.409 156 A N 0.700 123.521 122.820 0.003 0.000 1.933 156 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 156 A C 2.543 180.133 177.584 0.009 0.000 1.175 156 A CA 1.842 53.886 52.037 0.012 0.000 0.628 156 A CB -0.811 18.212 19.000 0.039 0.000 0.814 156 A HN 0.441 nan 8.150 nan 0.000 0.444 157 A N -0.121 122.716 122.820 0.029 0.000 1.877 157 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 157 A C 2.171 179.749 177.584 -0.010 0.000 1.186 157 A CA 1.539 53.623 52.037 0.079 0.000 0.620 157 A CB -0.650 18.468 19.000 0.197 0.000 0.822 157 A HN 0.478 nan 8.150 nan 0.000 0.443 158 L N -0.916 120.220 121.223 -0.145 0.000 2.046 158 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 158 L C 2.905 179.715 176.870 -0.100 0.000 1.077 158 L CA 1.726 56.458 54.840 -0.180 0.000 0.747 158 L CB -0.641 41.217 42.059 -0.335 0.000 0.896 158 L HN 0.491 nan 8.230 nan 0.000 0.432 159 Q N -0.469 119.285 119.800 -0.076 0.000 2.124 159 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 159 Q C 2.109 178.091 176.000 -0.030 0.000 0.977 159 Q CA 1.559 57.335 55.803 -0.045 0.000 0.850 159 Q CB -0.066 28.655 28.738 -0.029 0.000 0.901 159 Q HN 0.330 nan 8.270 nan 0.000 0.429 160 E N 1.071 121.259 120.200 -0.021 0.000 2.072 160 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 160 E C 1.629 178.210 176.600 -0.032 0.000 0.985 160 E CA 1.065 57.456 56.400 -0.014 0.000 0.801 160 E CB -0.112 29.592 29.700 0.006 0.000 0.750 160 E HN 0.346 nan 8.360 nan 0.000 0.452 161 I N 0.107 120.648 120.570 -0.048 0.000 2.315 161 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 161 I C 2.461 178.550 176.117 -0.047 0.000 1.117 161 I CA 0.947 62.205 61.300 -0.070 0.000 1.404 161 I CB -0.252 37.690 38.000 -0.098 0.000 1.071 161 I HN 0.076 nan 8.210 nan 0.000 0.419 162 R N 1.261 121.738 120.500 -0.039 0.000 2.083 162 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 162 R C 2.143 178.438 176.300 -0.009 0.000 1.137 162 R CA 2.375 58.462 56.100 -0.023 0.000 0.951 162 R CB -1.250 29.033 30.300 -0.029 0.000 0.851 162 R HN 0.201 nan 8.270 nan 0.000 0.434 163 T N 1.522 116.069 114.554 -0.012 0.000 2.652 163 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 163 T C 1.772 176.472 174.700 0.000 0.000 1.039 163 T CA 1.804 63.901 62.100 -0.004 0.000 1.153 163 T CB -0.271 68.594 68.868 -0.006 0.000 0.863 163 T HN 0.170 nan 8.240 nan 0.000 0.428 164 L N 0.304 121.520 121.223 -0.011 0.000 2.083 164 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 164 L C 2.536 179.406 176.870 -0.000 0.000 1.083 164 L CA 1.074 55.905 54.840 -0.014 0.000 0.752 164 L CB -0.647 41.390 42.059 -0.037 0.000 0.899 164 L HN 0.261 nan 8.230 nan 0.000 0.433 165 L N -0.408 120.819 121.223 0.006 0.000 2.056 165 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 165 L C 2.329 179.273 176.870 0.124 0.000 1.078 165 L CA 1.013 55.885 54.840 0.054 0.000 0.749 165 L CB -0.588 41.507 42.059 0.060 0.000 0.901 165 L HN 0.323 nan 8.230 nan 0.000 0.433 166 N N -0.053 118.692 118.700 0.074 0.000 2.205 166 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 166 N C 1.861 177.413 175.510 0.070 0.000 1.015 166 N CA 1.117 54.207 53.050 0.068 0.000 0.862 166 N CB -0.151 38.355 38.487 0.032 0.000 0.986 166 N HN 0.406 nan 8.380 nan 0.000 0.429 167 Q N -0.100 119.734 119.800 0.057 0.000 2.046 167 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 167 Q C 1.900 177.948 176.000 0.080 0.000 0.975 167 Q CA 1.085 56.917 55.803 0.049 0.000 0.836 167 Q CB -0.079 28.675 28.738 0.028 0.000 0.896 167 Q HN 0.234 nan 8.270 nan 0.000 0.428 168 Q N 0.073 119.937 119.800 0.106 0.000 2.124 168 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 168 Q C 1.841 178.031 176.000 0.317 0.000 0.977 168 Q CA 1.805 57.705 55.803 0.161 0.000 0.850 168 Q CB -0.289 28.477 28.738 0.046 0.000 0.901 168 Q HN 0.269 nan 8.270 nan 0.000 0.429 169 T N 0.679 115.428 114.554 0.324 0.000 2.788 169 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 169 T C 1.470 176.201 174.700 0.051 0.000 1.044 169 T CA 1.234 63.416 62.100 0.137 0.000 1.139 169 T CB -0.109 68.789 68.868 0.050 0.000 0.867 169 T HN 0.200 nan 8.240 nan 0.000 0.454 170 I N 1.522 122.128 120.570 0.060 0.000 2.202 170 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 170 I C 2.623 178.762 176.117 0.037 0.000 1.091 170 I CA 1.428 62.747 61.300 0.031 0.000 1.368 170 I CB -1.904 36.112 38.000 0.027 0.000 1.058 170 I HN 0.226 nan 8.210 nan 0.000 0.410 171 T N 0.962 115.552 114.554 0.058 0.000 2.849 171 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 171 T C 1.100 175.836 174.700 0.060 0.000 1.066 171 T CA 1.360 63.492 62.100 0.053 0.000 1.130 171 T CB -0.179 68.723 68.868 0.057 0.000 0.864 171 T HN 0.275 nan 8.240 nan 0.000 0.481 172 D N -0.129 120.324 120.400 0.088 0.000 2.369 172 D HA 0.275 4.915 4.640 -0.000 0.000 0.211 172 D C 1.440 177.747 176.300 0.011 0.000 1.077 172 D CA 0.331 54.376 54.000 0.076 0.000 0.842 172 D CB -0.030 40.876 40.800 0.177 0.000 0.947 172 D HN 0.400 nan 8.370 nan 0.000 0.509 173 G N 1.825 110.622 108.800 -0.005 0.000 2.198 173 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.260 173 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.260 173 G C 0.823 175.684 174.900 -0.064 0.000 1.025 173 G CA -0.230 44.853 45.100 -0.028 0.000 0.769 173 G HN 0.209 nan 8.290 nan 0.000 0.507 174 R N -0.527 119.905 120.500 -0.113 0.000 2.555 174 R HA 0.164 4.504 4.340 -0.000 0.000 0.272 174 R C 1.979 178.191 176.300 -0.148 0.000 1.089 174 R CA 0.223 56.210 56.100 -0.190 0.000 1.126 174 R CB 0.111 30.156 30.300 -0.426 0.000 1.250 174 R HN 0.529 nan 8.270 nan 0.000 0.551 175 Q N 0.569 120.317 119.800 -0.087 0.000 2.152 175 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 175 Q C 1.979 177.943 176.000 -0.061 0.000 0.985 175 Q CA 2.263 58.029 55.803 -0.062 0.000 0.863 175 Q CB -0.240 28.475 28.738 -0.039 0.000 0.904 175 Q HN 0.364 nan 8.270 nan 0.000 0.422 176 A N -0.839 121.943 122.820 -0.062 0.000 2.067 176 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 176 A C 0.857 178.405 177.584 -0.060 0.000 1.156 176 A CA 0.547 52.554 52.037 -0.051 0.000 0.683 176 A CB 0.255 19.230 19.000 -0.042 0.000 0.808 176 A HN 0.279 nan 8.150 nan 0.000 0.455 177 L N 0.206 121.372 121.223 -0.094 0.000 2.511 177 L HA 0.397 4.736 4.340 -0.000 0.000 0.252 177 L C -2.916 173.852 176.870 -0.169 0.000 1.542 177 L CA -1.968 52.811 54.840 -0.102 0.000 0.822 177 L CB 1.330 43.331 42.059 -0.097 0.000 1.050 177 L HN -0.129 nan 8.230 nan 0.000 0.516 178 P HA -0.011 nan 4.420 nan 0.000 0.267 178 P C -0.926 176.295 177.300 -0.131 0.000 1.201 178 P CA 0.330 63.334 63.100 -0.161 0.000 0.775 178 P CB 0.188 31.852 31.700 -0.059 0.000 0.854 179 Y N 0.527 120.845 120.300 0.031 0.000 2.480 179 Y HA 0.146 4.696 4.550 -0.000 0.000 0.338 179 Y C 1.374 177.297 175.900 0.039 0.000 1.220 179 Y CA 0.802 58.931 58.100 0.048 0.000 1.430 179 Y CB 0.187 38.677 38.460 0.050 0.000 1.311 179 Y HN 0.325 nan 8.280 nan 0.000 0.575 180 Q N 1.502 121.437 119.800 0.226 0.000 2.416 180 Q HA 0.663 5.003 4.340 -0.000 0.000 0.279 180 Q C -1.765 174.283 176.000 0.079 0.000 1.101 180 Q CA -1.372 54.509 55.803 0.130 0.000 0.830 180 Q CB 2.871 31.707 28.738 0.163 0.000 1.402 180 Q HN 0.502 nan 8.270 nan 0.000 0.445 181 L N 0.834 122.075 121.223 0.030 0.000 2.409 181 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 181 L C -1.174 175.696 176.870 0.000 0.000 0.980 181 L CA 0.098 54.932 54.840 -0.010 0.000 0.826 181 L CB 2.114 44.154 42.059 -0.030 0.000 1.268 181 L HN 0.824 nan 8.230 nan 0.000 0.407 182 T N 2.833 117.390 114.554 0.005 0.000 2.864 182 T HA 0.817 5.167 4.350 -0.000 0.000 0.299 182 T C -0.456 174.278 174.700 0.057 0.000 1.166 182 T CA -0.619 61.508 62.100 0.045 0.000 1.007 182 T CB 1.502 70.412 68.868 0.070 0.000 1.219 182 T HN 0.832 nan 8.240 nan 0.000 0.506 183 I N -1.484 119.147 120.570 0.101 0.000 2.934 183 I HA 0.904 5.074 4.170 -0.000 0.000 0.306 183 I C -0.550 175.667 176.117 0.167 0.000 1.110 183 I CA -1.879 59.513 61.300 0.153 0.000 1.019 183 I CB 1.961 40.084 38.000 0.205 0.000 1.227 183 I HN 0.921 nan 8.210 nan 0.000 0.434 184 A N 2.855 125.793 122.820 0.197 0.000 2.269 184 A HA 0.755 5.075 4.320 -0.000 0.000 0.302 184 A C 0.219 177.920 177.584 0.194 0.000 1.266 184 A CA -0.101 52.056 52.037 0.201 0.000 0.894 184 A CB -0.003 19.133 19.000 0.227 0.000 1.147 184 A HN 1.068 nan 8.150 nan 0.000 0.537 185 G N 0.960 109.884 108.800 0.207 0.000 2.434 185 G HA2 0.607 4.567 3.960 -0.000 0.000 0.330 185 G HA3 0.607 4.567 3.960 -0.000 0.000 0.330 185 G C 0.292 175.412 174.900 0.367 0.000 1.155 185 G CA -0.036 45.253 45.100 0.315 0.000 0.917 185 G HN 1.376 nan 8.290 nan 0.000 0.493 186 A N -0.369 122.758 122.820 0.513 0.000 2.531 186 A HA 0.502 4.822 4.320 -0.000 0.000 0.236 186 A C 1.295 178.994 177.584 0.192 0.000 1.062 186 A CA 0.574 52.784 52.037 0.289 0.000 0.760 186 A CB 0.393 19.337 19.000 -0.092 0.000 0.995 186 A HN 1.468 nan 8.150 nan 0.000 0.501 187 G N 1.241 110.103 108.800 0.102 0.000 3.575 187 G HA2 0.487 4.447 3.960 -0.000 0.000 0.273 187 G HA3 0.487 4.447 3.960 -0.000 0.000 0.273 187 G C 0.344 175.262 174.900 0.029 0.000 1.053 187 G CA 0.537 45.656 45.100 0.032 0.000 0.803 187 G HN 1.291 nan 8.290 nan 0.000 0.528 188 G N -1.471 107.348 108.800 0.032 0.000 2.682 188 G HA2 0.551 4.511 3.960 -0.000 0.000 0.300 188 G HA3 0.551 4.511 3.960 -0.000 0.000 0.300 188 G C 0.714 175.538 174.900 -0.127 0.000 1.391 188 G CA 0.332 45.421 45.100 -0.018 0.000 0.990 188 G HN 0.336 nan 8.290 nan 0.000 0.501 189 A N 1.288 123.969 122.820 -0.230 0.000 1.917 189 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 189 A C 1.962 179.253 177.584 -0.489 0.000 1.182 189 A CA 1.905 53.673 52.037 -0.448 0.000 0.633 189 A CB -0.612 18.076 19.000 -0.520 0.000 0.819 189 A HN 0.632 nan 8.150 nan 0.000 0.448 190 F N -1.124 118.677 119.950 -0.250 0.000 2.046 190 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 190 F C 2.127 177.711 175.800 -0.360 0.000 1.123 190 F CA 1.649 59.450 58.000 -0.332 0.000 1.199 190 F CB -1.112 37.616 39.000 -0.452 0.000 0.972 190 F HN 0.216 nan 8.300 nan 0.000 0.474 191 F N -0.560 119.289 119.950 -0.167 0.000 2.186 191 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 191 F C 2.227 177.663 175.800 -0.607 0.000 1.090 191 F CA 0.517 58.227 58.000 -0.484 0.000 1.307 191 F CB -1.249 37.184 39.000 -0.946 0.000 1.019 191 F HN -0.082 nan 8.300 nan 0.000 0.489 192 L N 0.518 121.519 121.223 -0.370 0.000 2.079 192 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 192 L C 2.541 179.012 176.870 -0.664 0.000 1.081 192 L CA 2.052 56.535 54.840 -0.594 0.000 0.752 192 L CB -1.251 40.553 42.059 -0.426 0.000 0.896 192 L HN 0.202 nan 8.230 nan 0.000 0.433 193 S N -1.103 114.309 115.700 -0.481 0.000 2.465 193 S HA -0.219 4.251 4.470 -0.000 0.000 0.241 193 S C 2.027 176.451 174.600 -0.294 0.000 1.000 193 S CA 0.926 58.887 58.200 -0.398 0.000 0.964 193 S CB -0.670 62.328 63.200 -0.336 0.000 0.763 193 S HN 0.568 nan 8.310 nan 0.000 0.512 194 R N 0.217 120.536 120.500 -0.303 0.000 2.115 194 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 194 R C 1.497 177.746 176.300 -0.085 0.000 1.111 194 R CA 1.749 57.757 56.100 -0.154 0.000 0.976 194 R CB -0.297 29.968 30.300 -0.057 0.000 0.870 194 R HN 0.902 nan 8.270 nan 0.000 0.445 195 Y N -5.205 115.057 120.300 -0.064 0.000 2.672 195 Y HA 0.241 4.791 4.550 -0.000 0.000 0.252 195 Y C 1.256 177.146 175.900 -0.017 0.000 1.132 195 Y CA -1.342 56.730 58.100 -0.045 0.000 1.228 195 Y CB -0.728 37.702 38.460 -0.051 0.000 1.310 195 Y HN -0.134 nan 8.280 nan 0.000 0.549 196 Y N 2.806 122.881 120.300 -0.375 0.000 2.102 196 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 196 Y C 2.704 178.510 175.900 -0.157 0.000 1.178 196 Y CA 2.550 60.464 58.100 -0.311 0.000 1.146 196 Y CB -0.523 37.679 38.460 -0.430 0.000 0.968 196 Y HN 0.361 nan 8.280 nan 0.000 0.504 197 S N -0.663 114.942 115.700 -0.157 0.000 2.440 197 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 197 S C 1.346 175.863 174.600 -0.139 0.000 1.010 197 S CA 1.536 59.614 58.200 -0.203 0.000 0.972 197 S CB -0.414 62.706 63.200 -0.132 0.000 0.774 197 S HN 0.577 nan 8.310 nan 0.000 0.501 198 K N 0.339 120.705 120.400 -0.055 0.000 2.537 198 K HA 0.421 4.741 4.320 -0.000 0.000 0.206 198 K C 1.017 177.633 176.600 0.026 0.000 1.041 198 K CA -0.230 56.057 56.287 0.000 0.000 1.090 198 K CB 0.122 32.651 32.500 0.048 0.000 0.833 198 K HN 0.229 nan 8.250 nan 0.000 0.493 199 L N 0.972 122.174 121.223 -0.035 0.000 2.051 199 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 199 L C 2.366 179.257 176.870 0.035 0.000 1.076 199 L CA 1.797 56.650 54.840 0.022 0.000 0.758 199 L CB -0.351 41.623 42.059 -0.141 0.000 0.890 199 L HN 0.366 nan 8.230 nan 0.000 0.433 200 A N -0.862 121.957 122.820 -0.001 0.000 1.908 200 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 200 A C 2.073 179.671 177.584 0.022 0.000 1.181 200 A CA 1.764 53.811 52.037 0.018 0.000 0.627 200 A CB -0.465 18.543 19.000 0.012 0.000 0.818 200 A HN 0.566 nan 8.150 nan 0.000 0.445 201 Q N -0.798 119.014 119.800 0.020 0.000 2.167 201 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 201 Q C 1.949 177.951 176.000 0.004 0.000 0.970 201 Q CA 1.232 57.043 55.803 0.013 0.000 0.855 201 Q CB -0.234 28.515 28.738 0.018 0.000 0.911 201 Q HN 0.747 nan 8.270 nan 0.000 0.438 202 I N -0.313 120.271 120.570 0.024 0.000 2.286 202 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 202 I C 1.968 178.084 176.117 -0.002 0.000 1.104 202 I CA 0.784 62.087 61.300 0.004 0.000 1.397 202 I CB 0.016 38.050 38.000 0.057 0.000 1.072 202 I HN 0.019 nan 8.210 nan 0.000 0.417 203 V N 0.738 120.675 119.914 0.038 0.000 2.719 203 V HA -0.139 3.980 4.120 -0.000 0.000 0.252 203 V C 2.647 178.747 176.094 0.009 0.000 1.065 203 V CA 1.377 63.703 62.300 0.043 0.000 1.086 203 V CB -0.814 31.060 31.823 0.085 0.000 0.700 203 V HN 0.437 nan 8.190 nan 0.000 0.467 204 A N 1.595 124.416 122.820 0.001 0.000 1.884 204 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 204 A C 0.664 178.232 177.584 -0.026 0.000 1.197 204 A CA 2.359 54.390 52.037 -0.010 0.000 0.637 204 A CB -1.885 17.110 19.000 -0.007 0.000 0.827 204 A HN 0.597 nan 8.150 nan 0.000 0.450 205 P HA 0.170 nan 4.420 nan 0.000 0.245 205 P C -0.126 177.143 177.300 -0.052 0.000 1.212 205 P CA 0.345 63.416 63.100 -0.048 0.000 0.774 205 P CB -0.145 31.518 31.700 -0.062 0.000 0.999 206 L N -0.387 120.807 121.223 -0.047 0.000 2.344 206 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 206 L C 1.394 178.208 176.870 -0.093 0.000 1.035 206 L CA -0.722 54.088 54.840 -0.049 0.000 0.807 206 L CB 0.921 42.972 42.059 -0.013 0.000 1.237 206 L HN -0.287 nan 8.230 nan 0.000 0.442 207 D N 0.093 120.410 120.400 -0.139 0.000 2.162 207 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 207 D C -0.547 175.411 176.300 -0.570 0.000 0.964 207 D CA 1.706 55.491 54.000 -0.359 0.000 0.847 207 D CB 0.421 41.017 40.800 -0.340 0.000 0.988 207 D HN 0.296 nan 8.370 nan 0.000 0.480 208 Y N -0.704 119.588 120.300 -0.014 0.000 2.544 208 Y HA 0.420 4.970 4.550 -0.000 0.000 0.342 208 Y C -0.640 175.258 175.900 -0.003 0.000 1.062 208 Y CA -0.911 57.177 58.100 -0.020 0.000 1.023 208 Y CB 2.054 40.474 38.460 -0.066 0.000 1.308 208 Y HN -0.281 nan 8.280 nan 0.000 0.457 209 I N 3.400 124.084 120.570 0.190 0.000 2.382 209 I HA 0.434 4.604 4.170 -0.000 0.000 0.285 209 I C -1.235 174.937 176.117 0.092 0.000 1.007 209 I CA -0.648 60.731 61.300 0.133 0.000 1.142 209 I CB 0.459 38.541 38.000 0.137 0.000 1.289 209 I HN 0.588 nan 8.210 nan 0.000 0.453 210 N N 8.884 127.639 118.700 0.092 0.000 2.469 210 N HA 0.300 5.040 4.740 -0.000 0.000 0.239 210 N C -0.661 174.884 175.510 0.060 0.000 1.053 210 N CA -0.202 52.887 53.050 0.065 0.000 0.937 210 N CB 1.153 39.693 38.487 0.088 0.000 1.163 210 N HN 0.566 nan 8.380 nan 0.000 0.509 211 L N 1.924 123.143 121.223 -0.007 0.000 2.410 211 L HA 0.207 4.547 4.340 -0.000 0.000 0.273 211 L C 1.117 177.909 176.870 -0.130 0.000 1.144 211 L CA 0.075 54.885 54.840 -0.051 0.000 0.863 211 L CB 0.257 42.244 42.059 -0.121 0.000 1.140 211 L HN 0.334 nan 8.230 nan 0.000 0.463 212 M N 3.530 123.018 119.600 -0.187 0.000 3.596 212 M HA 0.052 4.532 4.480 -0.000 0.000 0.219 212 M C 0.316 176.196 176.300 -0.699 0.000 1.471 212 M CA -0.110 54.806 55.300 -0.639 0.000 1.644 212 M CB -0.519 31.886 32.600 -0.324 0.000 1.083 212 M HN 0.559 nan 8.290 nan 0.000 0.579 213 T N 0.106 114.337 114.554 -0.538 0.000 4.313 213 T HA 0.319 4.669 4.350 -0.000 0.000 0.272 213 T C -0.585 174.062 174.700 -0.088 0.000 1.298 213 T CA -0.298 61.667 62.100 -0.225 0.000 1.124 213 T CB -1.035 67.780 68.868 -0.088 0.000 1.352 213 T HN 0.510 nan 8.240 nan 0.000 1.013 214 Y N -2.778 117.598 120.300 0.126 0.000 2.788 214 Y HA 0.530 5.080 4.550 -0.000 0.000 0.335 214 Y C -0.304 175.700 175.900 0.174 0.000 1.287 214 Y CA -1.998 56.184 58.100 0.137 0.000 1.068 214 Y CB -0.098 38.453 38.460 0.152 0.000 1.340 214 Y HN 0.136 nan 8.280 nan 0.000 0.449 215 D N 0.046 120.740 120.400 0.489 0.000 2.945 215 D HA -0.165 4.475 4.640 -0.000 0.000 0.225 215 D C 0.393 176.923 176.300 0.383 0.000 1.158 215 D CA 1.221 55.494 54.000 0.455 0.000 0.805 215 D CB -1.014 40.042 40.800 0.425 0.000 1.098 215 D HN 0.724 nan 8.370 nan 0.000 0.426 216 L N -1.327 120.054 121.223 0.262 0.000 2.627 216 L HA 0.332 4.672 4.340 -0.000 0.000 0.233 216 L C 1.083 178.043 176.870 0.150 0.000 1.144 216 L CA 0.572 55.505 54.840 0.155 0.000 0.892 216 L CB -0.045 42.059 42.059 0.075 0.000 1.039 216 L HN 0.200 nan 8.230 nan 0.000 0.442 217 A N -0.653 122.289 122.820 0.204 0.000 2.594 217 A HA 0.844 5.164 4.320 -0.000 0.000 0.295 217 A C -0.470 177.050 177.584 -0.105 0.000 1.071 217 A CA 0.038 52.148 52.037 0.122 0.000 0.685 217 A CB 1.688 20.799 19.000 0.184 0.000 1.285 217 A HN 0.081 nan 8.150 nan 0.000 0.405 218 G N -0.175 108.335 108.800 -0.483 0.000 2.368 218 G HA2 0.560 4.520 3.960 -0.000 0.000 0.293 218 G HA3 0.560 4.520 3.960 -0.000 0.000 0.293 218 G C -2.688 171.543 174.900 -1.115 0.000 1.467 218 G CA 0.015 44.331 45.100 -1.306 0.000 0.804 218 G HN 0.452 nan 8.290 nan 0.000 0.535 219 P HA -0.089 nan 4.420 nan 0.000 0.223 219 P C 1.286 178.599 177.300 0.022 0.000 1.144 219 P CA 1.609 64.481 63.100 -0.381 0.000 0.783 219 P CB -0.072 31.478 31.700 -0.251 0.000 0.771 220 W N 0.123 121.512 121.300 0.149 0.000 2.800 220 W HA 0.207 4.867 4.660 -0.000 0.000 0.249 220 W C 0.386 177.003 176.519 0.163 0.000 1.294 220 W CA -0.177 57.247 57.345 0.131 0.000 1.402 220 W CB -1.014 28.482 29.460 0.060 0.000 1.126 220 W HN -0.223 nan 8.180 nan 0.000 0.652 221 E N 1.469 121.639 120.200 -0.050 0.000 2.283 221 E HA 0.117 4.467 4.350 -0.000 0.000 0.271 221 E C 0.772 177.508 176.600 0.227 0.000 1.031 221 E CA -0.400 56.077 56.400 0.127 0.000 0.868 221 E CB 1.494 31.250 29.700 0.093 0.000 1.094 221 E HN 0.125 nan 8.360 nan 0.000 0.401 222 K N 0.171 120.647 120.400 0.128 0.000 2.097 222 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 222 K C 1.019 177.648 176.600 0.047 0.000 1.050 222 K CA 0.740 57.046 56.287 0.031 0.000 0.938 222 K CB 0.168 32.655 32.500 -0.022 0.000 0.718 222 K HN 0.332 nan 8.250 nan 0.000 0.442 223 V N 0.763 120.715 119.914 0.063 0.000 2.555 223 V HA 0.265 4.385 4.120 -0.000 0.000 0.302 223 V C -0.076 175.951 176.094 -0.112 0.000 1.038 223 V CA -0.916 61.383 62.300 -0.002 0.000 0.887 223 V CB 1.502 33.284 31.823 -0.067 0.000 0.991 223 V HN 0.305 nan 8.190 nan 0.000 0.434 224 T N 2.999 117.324 114.554 -0.381 0.000 2.903 224 T HA 0.404 4.754 4.350 -0.000 0.000 0.314 224 T C -0.083 174.236 174.700 -0.634 0.000 1.078 224 T CA 0.164 61.674 62.100 -0.983 0.000 1.114 224 T CB 0.608 68.589 68.868 -1.478 0.000 0.987 224 T HN 1.296 nan 8.240 nan 0.000 0.548 225 N N -0.517 117.882 118.700 -0.501 0.000 3.185 225 N HA 0.205 4.945 4.740 -0.000 0.000 0.238 225 N C -2.074 173.411 175.510 -0.042 0.000 1.451 225 N CA -0.732 52.218 53.050 -0.168 0.000 0.888 225 N CB 0.849 39.390 38.487 0.090 0.000 1.413 225 N HN 0.803 nan 8.380 nan 0.000 0.511 226 H N 0.687 119.854 119.070 0.161 0.000 2.803 226 H HA 0.134 4.690 4.556 -0.000 0.000 0.330 226 H C 0.647 176.054 175.328 0.131 0.000 1.057 226 H CA 0.222 56.352 56.048 0.137 0.000 1.458 226 H CB 1.041 30.829 29.762 0.043 0.000 1.470 226 H HN 0.484 nan 8.280 nan 0.000 0.560 227 Q N 2.299 122.230 119.800 0.219 0.000 2.432 227 Q HA 0.145 4.485 4.340 -0.000 0.000 0.205 227 Q C 0.363 176.471 176.000 0.179 0.000 0.945 227 Q CA 0.886 56.808 55.803 0.198 0.000 0.924 227 Q CB 0.683 29.539 28.738 0.197 0.000 1.016 227 Q HN 0.540 nan 8.270 nan 0.000 0.503 228 A N 0.420 123.331 122.820 0.151 0.000 3.106 228 A HA 0.677 4.997 4.320 -0.000 0.000 0.227 228 A C -0.111 177.493 177.584 0.033 0.000 0.920 228 A CA -0.245 51.859 52.037 0.111 0.000 1.088 228 A CB 0.174 19.265 19.000 0.151 0.000 1.233 228 A HN 0.368 nan 8.150 nan 0.000 0.503 229 A N 0.028 122.864 122.820 0.026 0.000 2.511 229 A HA 0.425 4.745 4.320 -0.000 0.000 0.242 229 A C 1.167 178.662 177.584 -0.149 0.000 1.069 229 A CA 0.147 52.135 52.037 -0.082 0.000 0.763 229 A CB 0.106 19.082 19.000 -0.040 0.000 1.001 229 A HN 1.316 nan 8.150 nan 0.000 0.498 230 L N 2.821 123.884 121.223 -0.267 0.000 2.023 230 L HA 0.248 4.588 4.340 -0.000 0.000 0.205 230 L C 0.144 176.646 176.870 -0.612 0.000 1.073 230 L CA 1.760 56.287 54.840 -0.522 0.000 0.745 230 L CB -0.506 41.145 42.059 -0.680 0.000 0.900 230 L HN 0.609 nan 8.230 nan 0.000 0.435 231 F N -1.183 118.715 119.950 -0.088 0.000 2.639 231 F HA 0.655 5.182 4.527 -0.000 0.000 0.339 231 F C 0.956 176.732 175.800 -0.040 0.000 1.071 231 F CA -0.873 57.106 58.000 -0.035 0.000 0.994 231 F CB 0.297 39.287 39.000 -0.017 0.000 1.341 231 F HN -0.107 nan 8.300 nan 0.000 0.498 232 G N -0.369 108.563 108.800 0.220 0.000 2.476 232 G HA2 0.408 4.368 3.960 -0.000 0.000 0.286 232 G HA3 0.408 4.368 3.960 -0.000 0.000 0.286 232 G C -1.701 173.222 174.900 0.037 0.000 1.177 232 G CA -0.198 44.959 45.100 0.095 0.000 0.870 232 G HN 0.502 nan 8.290 nan 0.000 0.528 233 D N 0.504 120.896 120.400 -0.012 0.000 2.425 233 D HA 0.449 5.089 4.640 -0.000 0.000 0.240 233 D C 1.087 177.320 176.300 -0.111 0.000 1.080 233 D CA -0.235 53.740 54.000 -0.042 0.000 0.836 233 D CB 1.637 42.437 40.800 0.000 0.000 1.125 233 D HN 0.300 nan 8.370 nan 0.000 0.525 234 A N 3.417 126.185 122.820 -0.086 0.000 2.076 234 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 234 A C 1.856 179.337 177.584 -0.173 0.000 1.160 234 A CA 1.731 53.704 52.037 -0.107 0.000 0.653 234 A CB -0.280 18.680 19.000 -0.067 0.000 0.801 234 A HN 0.601 nan 8.150 nan 0.000 0.455 235 A N -0.617 122.085 122.820 -0.197 0.000 2.208 235 A HA 0.447 4.767 4.320 -0.000 0.000 0.209 235 A C 1.381 178.557 177.584 -0.680 0.000 1.161 235 A CA 0.805 52.686 52.037 -0.261 0.000 0.782 235 A CB -0.655 18.299 19.000 -0.076 0.000 0.816 235 A HN 0.661 nan 8.150 nan 0.000 0.477 236 G N 0.141 108.427 108.800 -0.857 0.000 2.522 236 G HA2 0.501 4.461 3.960 -0.000 0.000 0.304 236 G HA3 0.501 4.461 3.960 -0.000 0.000 0.304 236 G C -2.399 172.121 174.900 -0.634 0.000 1.210 236 G CA -1.396 42.916 45.100 -1.313 0.000 0.960 236 G HN 0.172 nan 8.290 nan 0.000 0.497 237 P HA 0.228 nan 4.420 nan 0.000 0.272 237 P C -0.162 176.898 177.300 -0.400 0.000 1.240 237 P CA 0.075 62.928 63.100 -0.411 0.000 0.791 237 P CB 1.044 32.505 31.700 -0.398 0.000 0.978 238 T N -1.905 112.358 114.554 -0.485 0.000 2.916 238 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 238 T C -0.779 173.597 174.700 -0.540 0.000 1.064 238 T CA -0.572 61.322 62.100 -0.343 0.000 1.011 238 T CB 0.983 69.755 68.868 -0.160 0.000 1.152 238 T HN 0.191 nan 8.240 nan 0.000 0.510 239 F N -0.200 119.684 119.950 -0.110 0.000 2.603 239 F HA 0.525 5.052 4.527 -0.000 0.000 0.317 239 F C -0.422 175.532 175.800 0.257 0.000 1.066 239 F CA -1.494 56.554 58.000 0.079 0.000 0.941 239 F CB 1.391 40.434 39.000 0.071 0.000 1.291 239 F HN 0.737 nan 8.300 nan 0.000 0.472 240 Y N 2.361 122.935 120.300 0.457 0.000 2.526 240 Y HA 0.096 4.646 4.550 -0.000 0.000 0.330 240 Y C 0.502 176.562 175.900 0.266 0.000 1.156 240 Y CA -0.251 58.046 58.100 0.328 0.000 1.419 240 Y CB 0.267 38.917 38.460 0.316 0.000 1.250 240 Y HN 0.467 nan 8.280 nan 0.000 0.540 241 N N 5.467 124.138 118.700 -0.049 0.000 2.605 241 N HA 0.087 4.827 4.740 -0.000 0.000 0.258 241 N C 0.636 175.988 175.510 -0.263 0.000 1.156 241 N CA 0.625 53.535 53.050 -0.233 0.000 1.008 241 N CB 0.638 38.883 38.487 -0.404 0.000 1.354 241 N HN 0.916 nan 8.380 nan 0.000 0.509 242 A N 4.234 126.949 122.820 -0.176 0.000 2.032 242 A HA -0.153 4.167 4.320 -0.000 0.000 0.221 242 A C 2.144 179.512 177.584 -0.360 0.000 1.165 242 A CA 0.988 52.965 52.037 -0.099 0.000 0.645 242 A CB -0.332 18.535 19.000 -0.222 0.000 0.807 242 A HN 0.731 nan 8.150 nan 0.000 0.453 243 L N -0.335 120.471 121.223 -0.694 0.000 2.127 243 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 243 L C 2.713 178.869 176.870 -1.190 0.000 1.089 243 L CA 1.672 55.842 54.840 -1.118 0.000 0.757 243 L CB -0.602 40.442 42.059 -1.693 0.000 0.899 243 L HN 0.627 nan 8.230 nan 0.000 0.434 244 R N -0.098 119.906 120.500 -0.826 0.000 2.293 244 R HA -0.121 4.219 4.340 -0.000 0.000 0.219 244 R C 1.030 177.203 176.300 -0.211 0.000 1.091 244 R CA 0.978 56.847 56.100 -0.386 0.000 1.004 244 R CB -0.212 30.009 30.300 -0.131 0.000 0.865 244 R HN 0.309 nan 8.270 nan 0.000 0.469 245 E N 0.789 120.867 120.200 -0.204 0.000 2.481 245 E HA 0.219 4.569 4.350 -0.000 0.000 0.198 245 E C 0.090 176.602 176.600 -0.146 0.000 1.027 245 E CA 0.232 56.575 56.400 -0.095 0.000 0.900 245 E CB 0.997 30.696 29.700 -0.000 0.000 0.993 245 E HN 0.430 nan 8.360 nan 0.000 0.482 246 A N 1.750 124.418 122.820 -0.254 0.000 2.386 246 A HA 0.105 4.425 4.320 -0.000 0.000 0.248 246 A C 0.616 178.093 177.584 -0.177 0.000 1.082 246 A CA -0.385 51.519 52.037 -0.222 0.000 0.789 246 A CB 0.133 18.971 19.000 -0.271 0.000 1.025 246 A HN -0.033 nan 8.150 nan 0.000 0.490 247 N N 1.797 120.420 118.700 -0.129 0.000 2.744 247 N HA 0.097 4.837 4.740 -0.000 0.000 0.290 247 N C 0.363 175.787 175.510 -0.143 0.000 1.206 247 N CA 0.256 53.247 53.050 -0.098 0.000 1.119 247 N CB -0.482 37.971 38.487 -0.056 0.000 1.449 247 N HN 0.623 nan 8.380 nan 0.000 0.514 248 L N 0.281 121.369 121.223 -0.224 0.000 2.408 248 L HA 0.245 4.585 4.340 -0.000 0.000 0.215 248 L C 1.579 178.342 176.870 -0.180 0.000 1.081 248 L CA 0.436 55.036 54.840 -0.399 0.000 0.840 248 L CB -0.024 41.459 42.059 -0.961 0.000 1.002 248 L HN 0.529 nan 8.230 nan 0.000 0.468 249 G N -1.034 107.755 108.800 -0.018 0.000 2.143 249 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 249 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 249 G C -0.196 174.894 174.900 0.316 0.000 0.991 249 G CA -0.247 44.933 45.100 0.133 0.000 0.689 249 G HN 0.097 nan 8.290 nan 0.000 0.522 250 W N 1.297 122.648 121.300 0.084 0.000 2.253 250 W HA 0.703 5.363 4.660 -0.000 0.000 0.348 250 W C 1.201 177.777 176.519 0.095 0.000 1.229 250 W CA -0.766 56.628 57.345 0.082 0.000 1.335 250 W CB 0.498 30.008 29.460 0.084 0.000 1.165 250 W HN 0.523 nan 8.180 nan 0.000 0.631 251 S N 0.014 115.906 115.700 0.319 0.000 2.645 251 S HA 0.061 4.531 4.470 -0.000 0.000 0.266 251 S C 0.627 175.399 174.600 0.287 0.000 1.258 251 S CA -0.483 57.878 58.200 0.268 0.000 0.990 251 S CB 0.801 64.133 63.200 0.221 0.000 0.967 251 S HN 0.580 nan 8.310 nan 0.000 0.556 252 W N 1.301 122.683 121.300 0.138 0.000 2.317 252 W HA -0.135 4.525 4.660 -0.000 0.000 0.318 252 W C 2.209 178.790 176.519 0.104 0.000 1.227 252 W CA 2.082 59.499 57.345 0.119 0.000 1.269 252 W CB -0.292 29.223 29.460 0.092 0.000 1.155 252 W HN 0.807 nan 8.180 nan 0.000 0.484 253 E N 0.288 120.725 120.200 0.395 0.000 2.058 253 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 253 E C 1.884 178.466 176.600 -0.030 0.000 0.997 253 E CA 2.109 58.630 56.400 0.202 0.000 0.801 253 E CB -0.686 29.148 29.700 0.223 0.000 0.746 253 E HN 0.571 nan 8.360 nan 0.000 0.450 254 E N 0.500 120.699 120.200 -0.002 0.000 2.051 254 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 254 E C 2.415 179.001 176.600 -0.023 0.000 0.991 254 E CA 0.704 57.042 56.400 -0.103 0.000 0.799 254 E CB -0.148 29.455 29.700 -0.162 0.000 0.748 254 E HN 0.174 nan 8.360 nan 0.000 0.449 255 L N 0.672 121.966 121.223 0.119 0.000 2.017 255 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 255 L C 2.622 179.421 176.870 -0.119 0.000 1.073 255 L CA 1.380 56.327 54.840 0.177 0.000 0.745 255 L CB -0.647 41.500 42.059 0.147 0.000 0.894 255 L HN 0.175 nan 8.230 nan 0.000 0.432 256 T N -0.189 114.121 114.554 -0.406 0.000 2.746 256 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 256 T C 1.798 176.294 174.700 -0.340 0.000 1.039 256 T CA 1.649 63.435 62.100 -0.523 0.000 1.142 256 T CB -0.267 67.997 68.868 -1.006 0.000 0.866 256 T HN 0.458 nan 8.240 nan 0.000 0.444 257 R N 1.347 121.671 120.500 -0.294 0.000 2.193 257 R HA 0.357 4.697 4.340 -0.000 0.000 0.213 257 R C 2.357 178.468 176.300 -0.315 0.000 1.055 257 R CA 0.938 56.886 56.100 -0.252 0.000 0.995 257 R CB -0.268 29.915 30.300 -0.194 0.000 0.893 257 R HN 0.330 nan 8.270 nan 0.000 0.459 258 A N 0.925 123.468 122.820 -0.463 0.000 2.044 258 A HA 0.200 4.520 4.320 -0.000 0.000 0.213 258 A C 0.145 177.296 177.584 -0.721 0.000 1.169 258 A CA 0.138 51.769 52.037 -0.676 0.000 0.724 258 A CB 0.218 18.626 19.000 -0.986 0.000 0.840 258 A HN 0.259 nan 8.150 nan 0.000 0.463 259 F N 1.148 121.047 119.950 -0.085 0.000 2.523 259 F HA 0.324 4.851 4.527 -0.000 0.000 0.322 259 F C -2.578 173.065 175.800 -0.263 0.000 1.361 259 F CA -3.748 54.148 58.000 -0.175 0.000 1.151 259 F CB 0.354 39.229 39.000 -0.209 0.000 1.391 259 F HN -0.018 nan 8.300 nan 0.000 0.566 260 P HA 0.078 nan 4.420 nan 0.000 0.266 260 P C -0.113 177.129 177.300 -0.096 0.000 1.195 260 P CA 0.316 63.317 63.100 -0.166 0.000 0.768 260 P CB 1.807 33.377 31.700 -0.217 0.000 0.838 261 S N 2.262 117.916 115.700 -0.076 0.000 2.546 261 S HA 0.584 5.054 4.470 -0.000 0.000 0.272 261 S C -2.547 172.042 174.600 -0.020 0.000 1.140 261 S CA -1.198 56.975 58.200 -0.046 0.000 0.920 261 S CB 0.742 63.789 63.200 -0.255 0.000 1.083 261 S HN 0.320 nan 8.310 nan 0.000 0.476 262 P HA 0.561 nan 4.420 nan 0.000 0.277 262 P C -0.959 176.495 177.300 0.257 0.000 1.271 262 P CA -0.304 62.883 63.100 0.145 0.000 0.795 262 P CB 0.265 32.013 31.700 0.080 0.000 1.101 263 F N -2.905 117.086 119.950 0.067 0.000 2.715 263 F HA 0.593 5.120 4.527 -0.000 0.000 0.318 263 F C -1.009 174.895 175.800 0.173 0.000 1.141 263 F CA -1.413 56.646 58.000 0.098 0.000 0.950 263 F CB 0.444 39.535 39.000 0.151 0.000 1.374 263 F HN 0.098 nan 8.300 nan 0.000 0.477 264 S N 1.972 117.645 115.700 -0.045 0.000 2.439 264 S HA 0.410 4.880 4.470 -0.000 0.000 0.282 264 S C -0.534 173.882 174.600 -0.307 0.000 1.170 264 S CA -0.424 57.696 58.200 -0.134 0.000 1.054 264 S CB 0.756 63.980 63.200 0.040 0.000 0.956 264 S HN 0.669 nan 8.310 nan 0.000 0.490 265 L N 6.088 127.072 121.223 -0.398 0.000 2.462 265 L HA 0.273 4.613 4.340 -0.000 0.000 0.283 265 L C 0.493 177.313 176.870 -0.084 0.000 1.166 265 L CA 0.591 55.212 54.840 -0.365 0.000 0.964 265 L CB -0.958 40.787 42.059 -0.522 0.000 1.294 265 L HN 0.785 nan 8.230 nan 0.000 0.449 266 T N -0.172 114.386 114.554 0.006 0.000 2.887 266 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 266 T C 1.101 175.791 174.700 -0.017 0.000 1.087 266 T CA -0.471 61.634 62.100 0.008 0.000 1.009 266 T CB 1.115 70.008 68.868 0.041 0.000 1.203 266 T HN -0.032 nan 8.240 nan 0.000 0.518 267 V N 0.854 120.714 119.914 -0.091 0.000 2.343 267 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 267 V C 2.545 178.544 176.094 -0.158 0.000 1.051 267 V CA 2.525 64.746 62.300 -0.132 0.000 1.036 267 V CB -1.048 30.651 31.823 -0.207 0.000 0.654 267 V HN 1.110 nan 8.190 nan 0.000 0.451 268 D N 0.445 120.704 120.400 -0.236 0.000 2.123 268 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 268 D C 2.071 178.443 176.300 0.119 0.000 0.992 268 D CA 1.604 55.555 54.000 -0.081 0.000 0.833 268 D CB -0.149 40.686 40.800 0.059 0.000 0.954 268 D HN 0.379 nan 8.370 nan 0.000 0.455 269 A N 0.510 123.392 122.820 0.102 0.000 1.877 269 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 269 A C 2.441 179.929 177.584 -0.160 0.000 1.186 269 A CA 2.326 54.345 52.037 -0.030 0.000 0.620 269 A CB -1.238 17.890 19.000 0.212 0.000 0.822 269 A HN 0.364 nan 8.150 nan 0.000 0.443 270 A N -0.698 122.111 122.820 -0.019 0.000 1.902 270 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 270 A C 2.252 179.934 177.584 0.163 0.000 1.181 270 A CA 1.809 53.876 52.037 0.050 0.000 0.623 270 A CB -0.935 18.095 19.000 0.050 0.000 0.818 270 A HN 0.386 nan 8.150 nan 0.000 0.443 271 V N 0.057 120.041 119.914 0.118 0.000 2.295 271 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 271 V C 2.720 178.947 176.094 0.222 0.000 1.049 271 V CA 2.028 64.437 62.300 0.182 0.000 1.024 271 V CB -0.712 31.284 31.823 0.288 0.000 0.648 271 V HN 0.548 nan 8.190 nan 0.000 0.447 272 Q N -0.349 119.563 119.800 0.186 0.000 2.167 272 Q HA -0.209 4.130 4.340 -0.000 0.000 0.202 272 Q C 2.224 178.294 176.000 0.117 0.000 0.970 272 Q CA 1.462 57.374 55.803 0.182 0.000 0.855 272 Q CB -0.346 28.547 28.738 0.259 0.000 0.911 272 Q HN 0.706 nan 8.270 nan 0.000 0.438 273 Q N -0.638 119.142 119.800 -0.034 0.000 2.119 273 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 273 Q C 1.797 177.934 176.000 0.228 0.000 0.972 273 Q CA 1.175 56.973 55.803 -0.007 0.000 0.847 273 Q CB -0.115 28.464 28.738 -0.264 0.000 0.903 273 Q HN 0.533 nan 8.270 nan 0.000 0.433 274 H N -0.020 119.154 119.070 0.172 0.000 2.357 274 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 274 H C 1.697 177.119 175.328 0.156 0.000 1.082 274 H CA 1.147 57.312 56.048 0.196 0.000 1.342 274 H CB 0.041 29.895 29.762 0.154 0.000 1.389 274 H HN 0.116 nan 8.280 nan 0.000 0.511 275 L N -0.298 121.080 121.223 0.258 0.000 2.376 275 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 275 L C 1.873 178.835 176.870 0.152 0.000 1.133 275 L CA 0.552 55.499 54.840 0.178 0.000 0.816 275 L CB -0.219 41.932 42.059 0.154 0.000 0.933 275 L HN 0.367 nan 8.230 nan 0.000 0.449 276 M N -1.196 118.517 119.600 0.188 0.000 2.476 276 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 276 M C 0.426 176.828 176.300 0.171 0.000 1.079 276 M CA 0.866 56.275 55.300 0.182 0.000 1.104 276 M CB 0.088 32.842 32.600 0.256 0.000 1.409 276 M HN 0.146 nan 8.290 nan 0.000 0.467 277 M N 0.637 120.321 119.600 0.140 0.000 2.277 277 M HA 0.217 4.697 4.480 -0.000 0.000 0.350 277 M C 0.025 176.364 176.300 0.065 0.000 1.180 277 M CA -0.034 55.314 55.300 0.081 0.000 1.103 277 M CB 0.736 33.287 32.600 -0.081 0.000 1.577 277 M HN 0.026 nan 8.290 nan 0.000 0.459 278 E N 0.489 120.727 120.200 0.063 0.000 2.398 278 E HA 0.307 4.657 4.350 -0.000 0.000 0.263 278 E C 0.808 177.432 176.600 0.039 0.000 1.046 278 E CA 0.646 57.074 56.400 0.047 0.000 0.908 278 E CB 0.491 30.217 29.700 0.044 0.000 0.963 278 E HN 0.947 nan 8.360 nan 0.000 0.431 279 G N 1.549 110.371 108.800 0.038 0.000 2.160 279 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.251 279 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.251 279 G C -0.083 174.842 174.900 0.042 0.000 1.008 279 G CA 0.168 45.288 45.100 0.034 0.000 0.724 279 G HN 0.357 nan 8.290 nan 0.000 0.514 280 V N 2.557 122.505 119.914 0.057 0.000 2.289 280 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 280 V C -1.561 174.583 176.094 0.083 0.000 1.026 280 V CA -1.365 60.985 62.300 0.083 0.000 0.807 280 V CB 1.636 33.529 31.823 0.117 0.000 1.044 280 V HN 0.288 nan 8.190 nan 0.000 0.443 281 P HA 0.122 nan 4.420 nan 0.000 0.271 281 P C 1.134 178.477 177.300 0.071 0.000 1.220 281 P CA 0.135 63.269 63.100 0.056 0.000 0.768 281 P CB 1.481 33.203 31.700 0.036 0.000 0.848 282 S N 3.253 118.994 115.700 0.068 0.000 2.387 282 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 282 S C 1.908 176.555 174.600 0.078 0.000 1.035 282 S CA 1.138 59.382 58.200 0.074 0.000 1.014 282 S CB -1.288 61.945 63.200 0.055 0.000 0.836 282 S HN 0.510 nan 8.310 nan 0.000 0.466 283 A N 1.600 124.461 122.820 0.067 0.000 2.131 283 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 283 A C 2.180 179.846 177.584 0.136 0.000 1.158 283 A CA 1.394 53.481 52.037 0.083 0.000 0.665 283 A CB -0.448 18.584 19.000 0.054 0.000 0.795 283 A HN 0.655 nan 8.150 nan 0.000 0.460 284 K N -0.860 119.609 120.400 0.114 0.000 2.379 284 K HA 0.266 4.586 4.320 -0.000 0.000 0.194 284 K C -0.224 176.501 176.600 0.207 0.000 1.031 284 K CA -0.030 56.347 56.287 0.150 0.000 1.037 284 K CB 0.232 32.767 32.500 0.059 0.000 0.824 284 K HN 0.450 nan 8.250 nan 0.000 0.516 285 I N 2.312 122.965 120.570 0.139 0.000 2.396 285 I HA 0.033 4.203 4.170 -0.000 0.000 0.289 285 I C -0.320 175.840 176.117 0.071 0.000 1.056 285 I CA -0.345 61.005 61.300 0.083 0.000 1.365 285 I CB 1.032 39.068 38.000 0.060 0.000 1.407 285 I HN -0.269 nan 8.210 nan 0.000 0.509 286 V N 7.628 127.560 119.914 0.031 0.000 2.495 286 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 286 V C 0.071 176.172 176.094 0.013 0.000 1.031 286 V CA -0.715 61.579 62.300 -0.011 0.000 0.871 286 V CB 1.912 33.667 31.823 -0.113 0.000 0.988 286 V HN 0.695 nan 8.190 nan 0.000 0.432 287 M N 4.259 123.890 119.600 0.052 0.000 2.105 287 M HA 0.514 4.993 4.480 -0.000 0.000 0.350 287 M C 0.505 176.864 176.300 0.098 0.000 1.308 287 M CA -0.167 55.174 55.300 0.067 0.000 1.108 287 M CB 0.419 33.082 32.600 0.105 0.000 1.622 287 M HN 0.813 nan 8.290 nan 0.000 0.468 288 G N 4.325 113.178 108.800 0.087 0.000 2.415 288 G HA2 0.518 4.478 3.960 -0.000 0.000 0.269 288 G HA3 0.518 4.478 3.960 -0.000 0.000 0.269 288 G C -0.745 174.372 174.900 0.361 0.000 1.209 288 G CA -0.516 44.721 45.100 0.229 0.000 0.835 288 G HN 0.817 nan 8.290 nan 0.000 0.534 289 V N -0.219 119.996 119.914 0.501 0.000 2.962 289 V HA 0.905 5.025 4.120 -0.000 0.000 0.313 289 V C -2.721 173.676 176.094 0.505 0.000 1.099 289 V CA -2.737 59.857 62.300 0.489 0.000 0.971 289 V CB 2.685 34.649 31.823 0.234 0.000 1.028 289 V HN 0.646 nan 8.190 nan 0.000 0.430 290 P HA 0.466 nan 4.420 nan 0.000 0.298 290 P C -0.911 176.609 177.300 0.368 0.000 1.314 290 P CA -0.334 62.789 63.100 0.037 0.000 0.854 290 P CB 1.589 32.929 31.700 -0.600 0.000 1.019 291 F N 2.686 122.720 119.950 0.140 0.000 2.730 291 F HA 0.243 4.770 4.527 -0.000 0.000 0.295 291 F C 0.266 176.159 175.800 0.155 0.000 1.143 291 F CA -0.530 57.535 58.000 0.108 0.000 1.367 291 F CB -0.633 38.398 39.000 0.052 0.000 0.970 291 F HN 0.245 nan 8.300 nan 0.000 0.514 292 Y N -2.655 117.788 120.300 0.238 0.000 2.597 292 Y HA 0.845 5.395 4.550 -0.000 0.000 0.340 292 Y C -0.245 175.746 175.900 0.152 0.000 1.097 292 Y CA -2.339 55.845 58.100 0.140 0.000 1.037 292 Y CB 0.842 39.357 38.460 0.091 0.000 1.305 292 Y HN -0.099 nan 8.280 nan 0.000 0.463 293 G N 1.191 110.074 108.800 0.138 0.000 2.511 293 G HA2 0.710 4.670 3.960 -0.000 0.000 0.318 293 G HA3 0.710 4.670 3.960 -0.000 0.000 0.318 293 G C -1.492 173.493 174.900 0.141 0.000 1.210 293 G CA -1.576 43.582 45.100 0.096 0.000 0.969 293 G HN 0.657 nan 8.290 nan 0.000 0.484 294 R N -0.258 120.305 120.500 0.105 0.000 2.445 294 R HA 0.642 4.982 4.340 -0.000 0.000 0.308 294 R C -0.511 175.811 176.300 0.037 0.000 0.961 294 R CA -0.525 55.603 56.100 0.045 0.000 0.862 294 R CB 2.133 32.451 30.300 0.031 0.000 1.144 294 R HN 0.607 nan 8.270 nan 0.000 0.447 295 A N 3.247 126.045 122.820 -0.035 0.000 2.340 295 A HA 0.801 5.121 4.320 -0.000 0.000 0.331 295 A C -1.177 176.526 177.584 0.199 0.000 1.140 295 A CA -0.497 51.642 52.037 0.171 0.000 0.801 295 A CB 0.725 19.823 19.000 0.162 0.000 1.234 295 A HN 0.542 nan 8.150 nan 0.000 0.469 296 F N 0.512 120.618 119.950 0.260 0.000 2.577 296 F HA 0.606 5.132 4.527 -0.000 0.000 0.318 296 F C 0.427 176.186 175.800 -0.069 0.000 1.065 296 F CA -0.650 57.395 58.000 0.076 0.000 0.929 296 F CB 2.367 41.309 39.000 -0.097 0.000 1.237 296 F HN 0.708 nan 8.300 nan 0.000 0.468 297 K N -0.564 119.682 120.400 -0.258 0.000 2.306 297 K HA 0.813 5.133 4.320 -0.000 0.000 0.236 297 K C 0.386 176.895 176.600 -0.152 0.000 1.013 297 K CA -0.702 55.310 56.287 -0.459 0.000 0.857 297 K CB 1.893 33.601 32.500 -1.320 0.000 1.214 297 K HN 0.938 nan 8.250 nan 0.000 0.449 298 G N -0.102 108.630 108.800 -0.114 0.000 2.198 298 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 298 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 298 G C -0.192 174.730 174.900 0.036 0.000 1.042 298 G CA 0.225 45.304 45.100 -0.035 0.000 0.791 298 G HN 0.537 nan 8.290 nan 0.000 0.502 299 V N -0.262 119.697 119.914 0.076 0.000 2.863 299 V HA 0.813 4.933 4.120 -0.000 0.000 0.307 299 V C 0.794 176.938 176.094 0.084 0.000 1.061 299 V CA 0.395 62.738 62.300 0.072 0.000 1.024 299 V CB 1.830 33.712 31.823 0.098 0.000 1.049 299 V HN 0.481 nan 8.190 nan 0.000 0.471 300 S N 2.385 118.100 115.700 0.025 0.000 2.722 300 S HA 0.756 5.226 4.470 -0.000 0.000 0.292 300 S C 0.107 174.722 174.600 0.024 0.000 1.135 300 S CA -0.010 58.209 58.200 0.032 0.000 1.003 300 S CB 1.559 64.751 63.200 -0.015 0.000 1.067 300 S HN 1.215 nan 8.310 nan 0.000 0.546 301 G N -1.337 107.494 108.800 0.052 0.000 2.488 301 G HA2 0.555 4.515 3.960 -0.000 0.000 0.318 301 G HA3 0.555 4.515 3.960 -0.000 0.000 0.318 301 G C 0.715 175.579 174.900 -0.060 0.000 1.188 301 G CA -0.074 45.039 45.100 0.022 0.000 0.944 301 G HN 1.239 nan 8.290 nan 0.000 0.495 302 G N -0.357 108.389 108.800 -0.091 0.000 2.909 302 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.198 302 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.198 302 G C 0.543 175.384 174.900 -0.099 0.000 1.124 302 G CA 0.193 45.251 45.100 -0.070 0.000 0.796 302 G HN 0.658 nan 8.290 nan 0.000 0.489 303 N N 1.350 119.939 118.700 -0.186 0.000 2.497 303 N HA 0.384 5.124 4.740 -0.000 0.000 0.284 303 N C 1.156 176.499 175.510 -0.278 0.000 1.459 303 N CA 0.644 53.578 53.050 -0.194 0.000 0.899 303 N CB 1.090 39.440 38.487 -0.228 0.000 1.316 303 N HN 1.425 nan 8.380 nan 0.000 0.500 304 G N 0.887 109.460 108.800 -0.379 0.000 2.283 304 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 304 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 304 G C 1.057 175.568 174.900 -0.648 0.000 1.029 304 G CA 0.907 45.658 45.100 -0.581 0.000 0.840 304 G HN 0.756 nan 8.290 nan 0.000 0.505 305 G N -2.071 106.287 108.800 -0.737 0.000 2.217 305 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 305 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 305 G C 0.415 174.732 174.900 -0.973 0.000 0.990 305 G CA 0.926 45.757 45.100 -0.448 0.000 0.627 305 G HN 1.234 nan 8.290 nan 0.000 0.522 306 Q N -0.695 118.454 119.800 -1.085 0.000 2.340 306 Q HA 0.506 4.846 4.340 -0.000 0.000 0.249 306 Q C 0.477 175.764 176.000 -1.189 0.000 0.957 306 Q CA -0.453 54.359 55.803 -1.651 0.000 0.882 306 Q CB 0.357 27.960 28.738 -1.892 0.000 1.235 306 Q HN 0.663 nan 8.270 nan 0.000 0.439 307 Y N -1.524 118.385 120.300 -0.652 0.000 3.491 307 Y HA -0.263 4.287 4.550 -0.000 0.000 0.215 307 Y C -0.033 175.665 175.900 -0.336 0.000 1.219 307 Y CA 0.704 58.558 58.100 -0.410 0.000 1.485 307 Y CB -2.391 35.893 38.460 -0.293 0.000 1.450 307 Y HN 0.508 nan 8.280 nan 0.000 0.603 308 S N -0.221 115.295 115.700 -0.306 0.000 2.621 308 S HA 0.816 5.286 4.470 -0.000 0.000 0.302 308 S C 0.389 174.914 174.600 -0.125 0.000 1.093 308 S CA -0.105 57.972 58.200 -0.205 0.000 1.017 308 S CB 1.408 64.465 63.200 -0.237 0.000 1.077 308 S HN 0.575 nan 8.310 nan 0.000 0.517 309 S N 1.614 117.265 115.700 -0.082 0.000 2.600 309 S HA 0.586 5.056 4.470 -0.000 0.000 0.265 309 S C -0.272 174.320 174.600 -0.013 0.000 1.325 309 S CA -0.143 58.009 58.200 -0.080 0.000 1.002 309 S CB 0.080 63.222 63.200 -0.097 0.000 0.921 309 S HN 1.115 nan 8.310 nan 0.000 0.554 310 H N -2.475 116.572 119.070 -0.039 0.000 2.933 310 H HA 0.675 5.231 4.556 -0.000 0.000 0.310 310 H C -0.682 174.645 175.328 -0.001 0.000 1.351 310 H CA -0.495 55.547 56.048 -0.009 0.000 1.137 310 H CB 0.835 30.636 29.762 0.064 0.000 1.853 310 H HN 0.558 nan 8.280 nan 0.000 0.539 311 S N -0.497 115.264 115.700 0.103 0.000 2.661 311 S HA 0.271 4.741 4.470 -0.000 0.000 0.245 311 S C -0.650 174.015 174.600 0.108 0.000 1.117 311 S CA -0.456 57.757 58.200 0.022 0.000 1.091 311 S CB -0.691 62.483 63.200 -0.043 0.000 0.887 311 S HN 0.653 nan 8.310 nan 0.000 0.491 312 T N 4.480 119.268 114.554 0.390 0.000 2.771 312 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 312 T C -2.769 172.121 174.700 0.316 0.000 0.954 312 T CA -1.295 60.990 62.100 0.308 0.000 1.045 312 T CB 0.941 69.950 68.868 0.234 0.000 0.917 312 T HN 0.160 nan 8.240 nan 0.000 0.484 313 P HA 0.245 nan 4.420 nan 0.000 0.271 313 P C 0.822 178.293 177.300 0.285 0.000 1.216 313 P CA -0.160 63.097 63.100 0.262 0.000 0.771 313 P CB 0.540 32.386 31.700 0.243 0.000 0.864 314 G N 1.737 110.691 108.800 0.256 0.000 3.020 314 G HA2 0.019 3.979 3.960 -0.000 0.000 0.217 314 G HA3 0.019 3.979 3.960 -0.000 0.000 0.217 314 G C 0.146 175.222 174.900 0.294 0.000 1.144 314 G CA 0.021 45.305 45.100 0.306 0.000 0.760 314 G HN 0.403 nan 8.290 nan 0.000 0.548 315 E N 1.055 121.387 120.200 0.220 0.000 2.371 315 E HA 0.427 4.777 4.350 -0.000 0.000 0.257 315 E C -0.848 175.861 176.600 0.181 0.000 1.134 315 E CA -0.058 56.447 56.400 0.174 0.000 0.919 315 E CB 0.862 30.636 29.700 0.123 0.000 1.025 315 E HN -0.005 nan 8.360 nan 0.000 0.438 316 D N 1.746 122.236 120.400 0.150 0.000 2.505 316 D HA 0.307 4.947 4.640 -0.000 0.000 0.249 316 D C -1.967 174.410 176.300 0.128 0.000 1.082 316 D CA -1.249 52.840 54.000 0.149 0.000 0.839 316 D CB 1.037 41.926 40.800 0.149 0.000 1.317 316 D HN 0.281 nan 8.370 nan 0.000 0.497 317 P HA 0.129 nan 4.420 nan 0.000 0.276 317 P C -0.356 177.055 177.300 0.184 0.000 1.261 317 P CA -0.531 62.657 63.100 0.148 0.000 0.800 317 P CB 0.526 32.302 31.700 0.126 0.000 1.066 318 Y N 3.345 123.697 120.300 0.085 0.000 2.834 318 Y HA 0.015 4.565 4.550 -0.000 0.000 0.355 318 Y C -1.298 174.668 175.900 0.110 0.000 1.287 318 Y CA -1.988 56.176 58.100 0.106 0.000 1.647 318 Y CB -0.335 38.187 38.460 0.103 0.000 1.221 318 Y HN 0.218 nan 8.280 nan 0.000 0.519 319 P HA 0.026 nan 4.420 nan 0.000 0.269 319 P C -0.573 176.516 177.300 -0.352 0.000 1.601 319 P CA 0.485 63.467 63.100 -0.196 0.000 0.831 319 P CB 0.031 31.683 31.700 -0.080 0.000 1.688 320 S N -0.721 114.619 115.700 -0.600 0.000 2.636 320 S HA 0.428 4.898 4.470 -0.000 0.000 0.266 320 S C 0.260 174.688 174.600 -0.288 0.000 1.147 320 S CA -0.135 57.774 58.200 -0.484 0.000 0.815 320 S CB 0.760 63.610 63.200 -0.583 0.000 1.119 320 S HN 0.070 nan 8.310 nan 0.000 0.470 321 T N -0.846 113.594 114.554 -0.190 0.000 3.132 321 T HA 0.307 4.657 4.350 -0.000 0.000 0.274 321 T C -0.322 173.945 174.700 -0.722 0.000 1.011 321 T CA -0.085 61.823 62.100 -0.320 0.000 0.899 321 T CB -0.158 68.594 68.868 -0.193 0.000 1.089 321 T HN 0.465 nan 8.240 nan 0.000 0.543 322 D N 1.705 121.935 120.400 -0.283 0.000 2.365 322 D HA 0.154 4.794 4.640 -0.000 0.000 0.237 322 D C -1.100 175.157 176.300 -0.071 0.000 1.190 322 D CA -0.683 53.235 54.000 -0.135 0.000 0.867 322 D CB 0.154 41.061 40.800 0.179 0.000 1.050 322 D HN 0.262 nan 8.370 nan 0.000 0.491 323 Y N 4.972 125.301 120.300 0.049 0.000 2.802 323 Y HA 0.167 4.717 4.550 -0.000 0.000 0.330 323 Y C 0.744 176.543 175.900 -0.168 0.000 1.193 323 Y CA -1.306 56.669 58.100 -0.209 0.000 1.427 323 Y CB -0.192 38.171 38.460 -0.163 0.000 1.357 323 Y HN 0.536 nan 8.280 nan 0.000 0.501 324 W N 1.029 122.394 121.300 0.107 0.000 3.256 324 W HA 0.219 4.879 4.660 -0.000 0.000 0.269 324 W C -0.574 175.939 176.519 -0.010 0.000 1.310 324 W CA -0.439 56.927 57.345 0.035 0.000 1.673 324 W CB 0.037 29.522 29.460 0.041 0.000 1.115 324 W HN 0.309 nan 8.180 nan 0.000 0.686 325 L N 3.279 124.419 121.223 -0.138 0.000 2.356 325 L HA 0.232 4.572 4.340 -0.000 0.000 0.282 325 L C 0.362 177.215 176.870 -0.029 0.000 1.132 325 L CA -0.778 54.042 54.840 -0.033 0.000 0.923 325 L CB 0.089 41.972 42.059 -0.293 0.000 1.278 325 L HN -0.205 nan 8.230 nan 0.000 0.436 326 V N 5.619 125.548 119.914 0.025 0.000 2.678 326 V HA 0.144 4.264 4.120 -0.000 0.000 0.304 326 V C 1.647 177.619 176.094 -0.204 0.000 1.086 326 V CA 1.168 63.427 62.300 -0.069 0.000 1.246 326 V CB -0.285 31.464 31.823 -0.123 0.000 0.861 326 V HN 1.069 nan 8.190 nan 0.000 0.491 327 G N 2.869 111.384 108.800 -0.476 0.000 2.184 327 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 327 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 327 G C 0.540 175.139 174.900 -0.503 0.000 0.975 327 G CA 0.096 44.606 45.100 -0.983 0.000 0.642 327 G HN 1.094 nan 8.290 nan 0.000 0.536 328 C N 2.067 121.180 119.300 -0.313 0.000 2.262 328 C HA 0.624 5.084 4.460 -0.000 0.000 0.413 328 C C 1.904 176.764 174.990 -0.216 0.000 1.019 328 C CA 0.082 58.945 59.018 -0.259 0.000 1.320 328 C CB -1.195 26.388 27.740 -0.263 0.000 1.657 328 C HN 0.536 nan 8.230 nan 0.000 0.510 329 E N 0.833 120.927 120.200 -0.177 0.000 2.085 329 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 329 E C 2.040 178.552 176.600 -0.146 0.000 0.994 329 E CA 1.634 57.955 56.400 -0.132 0.000 0.801 329 E CB -0.162 29.487 29.700 -0.086 0.000 0.743 329 E HN 0.895 nan 8.360 nan 0.000 0.453 330 E N 0.421 120.533 120.200 -0.145 0.000 2.118 330 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 330 E C 1.554 178.037 176.600 -0.196 0.000 0.992 330 E CA 1.506 57.822 56.400 -0.140 0.000 0.804 330 E CB -0.136 29.491 29.700 -0.121 0.000 0.741 330 E HN 0.334 nan 8.360 nan 0.000 0.458 331 C N 0.155 119.305 119.300 -0.250 0.000 2.435 331 C HA -0.051 4.409 4.460 -0.000 0.000 0.279 331 C C 2.659 177.361 174.990 -0.481 0.000 1.321 331 C CA 0.378 59.185 59.018 -0.350 0.000 1.752 331 C CB -0.712 26.793 27.740 -0.391 0.000 1.959 331 C HN 0.351 nan 8.230 nan 0.000 0.500 332 V N 2.197 121.871 119.914 -0.401 0.000 2.307 332 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 332 V C 2.721 178.585 176.094 -0.383 0.000 1.045 332 V CA 2.299 64.311 62.300 -0.481 0.000 1.024 332 V CB -0.767 30.942 31.823 -0.191 0.000 0.651 332 V HN 0.637 nan 8.190 nan 0.000 0.449 333 R N 0.603 120.966 120.500 -0.227 0.000 2.120 333 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 333 R C 1.280 177.485 176.300 -0.159 0.000 1.123 333 R CA 2.082 58.093 56.100 -0.149 0.000 0.975 333 R CB -0.475 29.770 30.300 -0.093 0.000 0.866 333 R HN 0.396 nan 8.270 nan 0.000 0.446 334 D N 0.756 121.032 120.400 -0.207 0.000 2.339 334 D HA 0.054 4.693 4.640 -0.000 0.000 0.217 334 D C -0.259 175.911 176.300 -0.216 0.000 1.050 334 D CA 0.220 54.120 54.000 -0.166 0.000 0.856 334 D CB 0.272 40.990 40.800 -0.137 0.000 0.922 334 D HN 0.228 nan 8.370 nan 0.000 0.518 335 K N 1.069 121.229 120.400 -0.400 0.000 3.148 335 K HA -0.181 4.139 4.320 -0.000 0.000 0.267 335 K C -0.573 175.855 176.600 -0.287 0.000 0.996 335 K CA 0.550 56.541 56.287 -0.492 0.000 0.737 335 K CB -1.136 31.323 32.500 -0.068 0.000 1.308 335 K HN 0.109 nan 8.250 nan 0.000 0.470 336 D N -0.625 119.483 120.400 -0.487 0.000 2.548 336 D HA 0.104 4.744 4.640 -0.000 0.000 0.214 336 D C -2.297 173.609 176.300 -0.657 0.000 1.345 336 D CA -1.444 52.238 54.000 -0.529 0.000 0.945 336 D CB 1.550 42.181 40.800 -0.283 0.000 1.499 336 D HN -0.127 nan 8.370 nan 0.000 0.579 337 P HA 0.135 nan 4.420 nan 0.000 0.249 337 P C 0.761 177.525 177.300 -0.894 0.000 1.229 337 P CA 0.007 62.494 63.100 -1.022 0.000 0.788 337 P CB 0.510 31.227 31.700 -1.637 0.000 1.072 338 R N 0.200 120.330 120.500 -0.616 0.000 2.275 338 R HA 0.235 4.575 4.340 -0.000 0.000 0.199 338 R C 1.083 177.267 176.300 -0.193 0.000 0.989 338 R CA 0.515 56.435 56.100 -0.300 0.000 1.016 338 R CB -0.130 30.064 30.300 -0.178 0.000 0.918 338 R HN 0.317 nan 8.270 nan 0.000 0.473 339 I N -2.214 118.240 120.570 -0.195 0.000 2.686 339 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 339 I C -1.122 174.932 176.117 -0.105 0.000 1.114 339 I CA -1.431 59.822 61.300 -0.078 0.000 1.038 339 I CB 2.399 40.363 38.000 -0.060 0.000 1.238 339 I HN -0.241 nan 8.210 nan 0.000 0.420 340 A N 3.092 125.892 122.820 -0.034 0.000 2.517 340 A HA 0.701 5.021 4.320 -0.000 0.000 0.297 340 A C -0.262 177.319 177.584 -0.005 0.000 1.050 340 A CA -0.548 51.438 52.037 -0.084 0.000 0.694 340 A CB 1.669 20.560 19.000 -0.181 0.000 1.277 340 A HN 0.914 nan 8.150 nan 0.000 0.400 341 S N 1.230 116.914 115.700 -0.026 0.000 2.584 341 S HA 0.194 4.663 4.470 -0.000 0.000 0.270 341 S C 0.834 175.422 174.600 -0.021 0.000 1.346 341 S CA 0.389 58.600 58.200 0.018 0.000 1.018 341 S CB 0.109 63.282 63.200 -0.046 0.000 0.899 341 S HN 1.282 nan 8.310 nan 0.000 0.542 342 Y N 2.054 122.319 120.300 -0.058 0.000 2.274 342 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 342 Y C 2.636 178.454 175.900 -0.137 0.000 1.145 342 Y CA 1.924 59.957 58.100 -0.112 0.000 1.203 342 Y CB -0.253 38.115 38.460 -0.154 0.000 0.984 342 Y HN 0.820 nan 8.280 nan 0.000 0.533 343 R N 0.059 120.473 120.500 -0.144 0.000 2.083 343 R HA -0.265 4.075 4.340 -0.000 0.000 0.237 343 R C 2.308 178.454 176.300 -0.257 0.000 1.137 343 R CA 2.057 58.045 56.100 -0.188 0.000 0.951 343 R CB -0.341 29.923 30.300 -0.062 0.000 0.851 343 R HN 0.423 nan 8.270 nan 0.000 0.434 344 Q N 0.580 120.247 119.800 -0.220 0.000 2.123 344 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 344 Q C 2.069 177.884 176.000 -0.308 0.000 0.966 344 Q CA 1.438 57.109 55.803 -0.221 0.000 0.845 344 Q CB -0.133 28.492 28.738 -0.190 0.000 0.907 344 Q HN 0.462 nan 8.270 nan 0.000 0.439 345 L N 0.227 121.204 121.223 -0.409 0.000 2.093 345 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 345 L C 2.506 179.060 176.870 -0.527 0.000 1.085 345 L CA 1.685 56.206 54.840 -0.531 0.000 0.755 345 L CB -0.532 41.128 42.059 -0.664 0.000 0.904 345 L HN 0.410 nan 8.230 nan 0.000 0.435 346 E N 0.143 119.962 120.200 -0.634 0.000 2.110 346 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 346 E C 2.145 178.588 176.600 -0.261 0.000 0.988 346 E CA 1.296 57.386 56.400 -0.517 0.000 0.804 346 E CB 0.087 29.385 29.700 -0.670 0.000 0.745 346 E HN 0.549 nan 8.360 nan 0.000 0.458 347 Q N -0.374 119.297 119.800 -0.215 0.000 2.123 347 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 347 Q C 2.229 178.238 176.000 0.016 0.000 0.966 347 Q CA 1.406 57.160 55.803 -0.081 0.000 0.845 347 Q CB -0.020 28.680 28.738 -0.064 0.000 0.907 347 Q HN 0.357 nan 8.270 nan 0.000 0.439 348 M N 0.262 119.829 119.600 -0.055 0.000 2.117 348 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 348 M C 2.116 178.532 176.300 0.194 0.000 1.065 348 M CA 1.277 56.628 55.300 0.085 0.000 1.114 348 M CB -0.157 32.298 32.600 -0.241 0.000 1.361 348 M HN 0.227 nan 8.290 nan 0.000 0.408 349 L N 0.391 121.597 121.223 -0.028 0.000 2.046 349 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 349 L C 2.584 179.485 176.870 0.052 0.000 1.077 349 L CA 1.585 56.431 54.840 0.011 0.000 0.747 349 L CB -0.395 41.611 42.059 -0.090 0.000 0.896 349 L HN 0.489 nan 8.230 nan 0.000 0.432 350 Q N -1.291 118.519 119.800 0.016 0.000 2.360 350 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 350 Q C 1.126 177.117 176.000 -0.016 0.000 0.915 350 Q CA 0.665 56.467 55.803 -0.001 0.000 0.943 350 Q CB 0.228 28.954 28.738 -0.020 0.000 1.064 350 Q HN 0.354 nan 8.270 nan 0.000 0.511 351 G N 1.663 110.467 108.800 0.008 0.000 3.523 351 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.270 351 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.270 351 G C 0.116 174.733 174.900 -0.472 0.000 1.134 351 G CA -0.329 44.658 45.100 -0.187 0.000 0.825 351 G HN 0.467 nan 8.290 nan 0.000 0.534 352 N N -0.851 117.719 118.700 -0.217 0.000 2.714 352 N HA -0.251 4.489 4.740 -0.000 0.000 0.253 352 N C -0.033 175.321 175.510 -0.260 0.000 1.024 352 N CA 0.402 53.329 53.050 -0.205 0.000 0.726 352 N CB -1.515 36.849 38.487 -0.204 0.000 0.908 352 N HN 0.437 nan 8.380 nan 0.000 0.542 353 Y N -0.985 119.347 120.300 0.053 0.000 2.458 353 Y HA 0.374 4.924 4.550 -0.000 0.000 0.256 353 Y C 2.056 177.911 175.900 -0.077 0.000 1.159 353 Y CA 0.566 58.698 58.100 0.054 0.000 1.261 353 Y CB 0.440 39.018 38.460 0.195 0.000 1.119 353 Y HN 0.397 nan 8.280 nan 0.000 0.524 354 G N -1.363 107.386 108.800 -0.086 0.000 2.184 354 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.206 354 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.206 354 G C -0.353 174.168 174.900 -0.633 0.000 0.995 354 G CA -0.643 44.169 45.100 -0.480 0.000 0.651 354 G HN 0.200 nan 8.290 nan 0.000 0.511 355 Y N 0.818 121.095 120.300 -0.038 0.000 2.299 355 Y HA 0.610 5.160 4.550 -0.000 0.000 0.326 355 Y C 0.701 176.581 175.900 -0.033 0.000 1.164 355 Y CA -0.227 57.870 58.100 -0.004 0.000 1.234 355 Y CB 1.236 39.736 38.460 0.066 0.000 1.219 355 Y HN 0.242 nan 8.280 nan 0.000 0.497 356 Q N 3.836 123.721 119.800 0.142 0.000 2.333 356 Q HA 0.350 4.690 4.340 -0.000 0.000 0.268 356 Q C -0.843 175.217 176.000 0.100 0.000 1.007 356 Q CA -1.033 54.827 55.803 0.094 0.000 0.810 356 Q CB 1.096 29.878 28.738 0.075 0.000 1.264 356 Q HN 0.735 nan 8.270 nan 0.000 0.452 357 R N 4.865 125.407 120.500 0.069 0.000 2.267 357 R HA 0.388 4.728 4.340 -0.000 0.000 0.319 357 R C -1.138 175.140 176.300 -0.037 0.000 1.067 357 R CA -0.011 56.122 56.100 0.054 0.000 0.936 357 R CB 0.330 30.694 30.300 0.107 0.000 1.006 357 R HN 0.666 nan 8.270 nan 0.000 0.452 358 L N 3.570 124.636 121.223 -0.261 0.000 2.286 358 L HA 0.598 4.938 4.340 -0.000 0.000 0.265 358 L C -0.791 175.931 176.870 -0.247 0.000 1.012 358 L CA -1.000 53.595 54.840 -0.408 0.000 0.818 358 L CB 1.966 43.497 42.059 -0.881 0.000 1.337 358 L HN 0.635 nan 8.230 nan 0.000 0.438 359 W N 1.975 123.185 121.300 -0.149 0.000 2.839 359 W HA 0.323 4.983 4.660 -0.000 0.000 0.334 359 W C -1.528 175.132 176.519 0.235 0.000 1.064 359 W CA -0.560 56.827 57.345 0.069 0.000 1.236 359 W CB 1.896 31.367 29.460 0.018 0.000 1.405 359 W HN 0.437 nan 8.180 nan 0.000 0.478 360 N N 4.056 122.504 118.700 -0.421 0.000 2.457 360 N HA 0.026 4.766 4.740 -0.000 0.000 0.250 360 N C 0.007 175.076 175.510 -0.734 0.000 0.982 360 N CA 0.217 53.045 53.050 -0.369 0.000 0.941 360 N CB 1.216 39.459 38.487 -0.407 0.000 1.120 360 N HN 0.436 nan 8.380 nan 0.000 0.505 361 D N 2.479 122.708 120.400 -0.285 0.000 2.363 361 D HA 0.046 4.686 4.640 -0.000 0.000 0.226 361 D C 1.089 177.329 176.300 -0.100 0.000 1.020 361 D CA 0.784 54.738 54.000 -0.078 0.000 0.892 361 D CB 0.607 41.527 40.800 0.201 0.000 0.900 361 D HN 0.409 nan 8.370 nan 0.000 0.531 362 K N -0.898 119.420 120.400 -0.137 0.000 2.121 362 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 362 K C 2.106 178.659 176.600 -0.078 0.000 1.041 362 K CA 1.311 57.558 56.287 -0.066 0.000 0.969 362 K CB -0.797 31.677 32.500 -0.043 0.000 0.799 362 K HN 0.241 nan 8.250 nan 0.000 0.456 363 T N -0.401 114.014 114.554 -0.232 0.000 3.055 363 T HA 0.002 4.352 4.350 -0.000 0.000 0.265 363 T C 0.473 174.934 174.700 -0.399 0.000 1.111 363 T CA 0.245 62.170 62.100 -0.293 0.000 1.118 363 T CB -0.063 68.499 68.868 -0.510 0.000 0.909 363 T HN 0.034 nan 8.240 nan 0.000 0.501 364 K N 2.229 122.285 120.400 -0.572 0.000 3.150 364 K HA -0.121 4.199 4.320 -0.000 0.000 0.267 364 K C 0.004 176.073 176.600 -0.884 0.000 1.028 364 K CA 1.256 57.098 56.287 -0.742 0.000 0.753 364 K CB -2.798 29.404 32.500 -0.497 0.000 1.288 364 K HN 0.903 nan 8.250 nan 0.000 0.473 365 T N -2.481 111.360 114.554 -1.187 0.000 2.903 365 T HA 0.717 5.067 4.350 -0.000 0.000 0.299 365 T C -2.934 171.336 174.700 -0.718 0.000 1.093 365 T CA -1.770 59.871 62.100 -0.765 0.000 1.002 365 T CB 3.784 72.409 68.868 -0.407 0.000 1.127 365 T HN -0.146 nan 8.240 nan 0.000 0.488 366 P HA 0.570 nan 4.420 nan 0.000 0.283 366 P C -1.678 175.681 177.300 0.098 0.000 1.278 366 P CA -0.537 62.542 63.100 -0.034 0.000 0.834 366 P CB 0.779 32.396 31.700 -0.139 0.000 1.150 367 Y N -2.214 118.158 120.300 0.119 0.000 2.624 367 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 367 Y C -1.823 174.227 175.900 0.251 0.000 1.155 367 Y CA -1.427 56.769 58.100 0.160 0.000 1.046 367 Y CB 0.531 39.018 38.460 0.044 0.000 1.316 367 Y HN 0.102 nan 8.280 nan 0.000 0.457 368 L N 2.882 124.226 121.223 0.203 0.000 2.334 368 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 368 L C -1.447 175.644 176.870 0.369 0.000 1.014 368 L CA -1.124 53.824 54.840 0.180 0.000 0.815 368 L CB 1.992 44.074 42.059 0.038 0.000 1.268 368 L HN 0.773 nan 8.230 nan 0.000 0.428 369 Y N 2.262 122.714 120.300 0.253 0.000 2.373 369 Y HA 0.331 4.881 4.550 -0.000 0.000 0.336 369 Y C -0.902 175.149 175.900 0.251 0.000 0.979 369 Y CA -0.956 57.323 58.100 0.298 0.000 1.080 369 Y CB 1.101 39.714 38.460 0.256 0.000 1.190 369 Y HN 0.490 nan 8.280 nan 0.000 0.446 370 H N 6.109 125.065 119.070 -0.191 0.000 2.690 370 H HA 0.505 5.061 4.556 -0.000 0.000 0.280 370 H C 0.221 175.148 175.328 -0.669 0.000 1.138 370 H CA 0.585 56.397 56.048 -0.393 0.000 1.241 370 H CB 1.423 31.004 29.762 -0.302 0.000 1.394 370 H HN 0.965 nan 8.280 nan 0.000 0.489 371 A N 3.850 126.131 122.820 -0.898 0.000 1.930 371 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 371 A C 2.223 179.654 177.584 -0.254 0.000 1.175 371 A CA 1.399 53.002 52.037 -0.724 0.000 0.627 371 A CB -0.294 18.430 19.000 -0.459 0.000 0.815 371 A HN 0.784 nan 8.150 nan 0.000 0.443 372 Q N -0.515 119.156 119.800 -0.215 0.000 2.084 372 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 372 Q C 0.982 177.037 176.000 0.091 0.000 0.978 372 Q CA 1.881 57.663 55.803 -0.036 0.000 0.844 372 Q CB -0.099 28.616 28.738 -0.039 0.000 0.898 372 Q HN 0.634 nan 8.270 nan 0.000 0.426 373 N N -1.049 117.811 118.700 0.266 0.000 2.254 373 N HA 0.142 4.882 4.740 -0.000 0.000 0.190 373 N C -0.070 175.465 175.510 0.042 0.000 1.107 373 N CA 0.875 53.971 53.050 0.077 0.000 0.869 373 N CB 1.180 39.587 38.487 -0.134 0.000 0.983 373 N HN 0.365 nan 8.380 nan 0.000 0.487 374 G N 0.877 109.723 108.800 0.077 0.000 2.289 374 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.280 374 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.280 374 G C -0.576 174.417 174.900 0.155 0.000 1.089 374 G CA -0.086 45.086 45.100 0.119 0.000 0.939 374 G HN 0.202 nan 8.290 nan 0.000 0.499 375 L N -0.882 120.475 121.223 0.223 0.000 2.342 375 L HA 0.896 5.236 4.340 -0.000 0.000 0.271 375 L C -0.165 177.015 176.870 0.516 0.000 1.008 375 L CA -1.329 53.701 54.840 0.317 0.000 0.818 375 L CB 1.975 44.221 42.059 0.312 0.000 1.296 375 L HN 0.184 nan 8.230 nan 0.000 0.427 376 F N 2.321 122.468 119.950 0.329 0.000 2.569 376 F HA 0.729 5.256 4.527 -0.000 0.000 0.312 376 F C -1.363 174.633 175.800 0.327 0.000 1.109 376 F CA -0.628 57.551 58.000 0.298 0.000 0.919 376 F CB 1.784 40.820 39.000 0.060 0.000 1.211 376 F HN 0.053 nan 8.300 nan 0.000 0.446 377 V N 4.386 124.005 119.914 -0.492 0.000 2.577 377 V HA 0.443 4.563 4.120 -0.000 0.000 0.303 377 V C -0.406 175.340 176.094 -0.581 0.000 1.042 377 V CA -0.698 61.391 62.300 -0.352 0.000 0.872 377 V CB 1.774 33.494 31.823 -0.170 0.000 0.998 377 V HN 0.876 nan 8.190 nan 0.000 0.423 378 T N 5.174 119.519 114.554 -0.349 0.000 2.795 378 T HA 0.759 5.109 4.350 -0.000 0.000 0.282 378 T C -0.878 173.915 174.700 0.156 0.000 0.980 378 T CA -0.147 61.883 62.100 -0.116 0.000 1.012 378 T CB 0.621 69.496 68.868 0.012 0.000 0.936 378 T HN 0.849 nan 8.240 nan 0.000 0.457 379 Y N 1.309 121.589 120.300 -0.033 0.000 2.764 379 Y HA 0.797 5.347 4.550 -0.000 0.000 0.331 379 Y C -1.662 174.225 175.900 -0.022 0.000 1.280 379 Y CA -1.637 56.436 58.100 -0.045 0.000 1.065 379 Y CB 0.468 38.901 38.460 -0.045 0.000 1.319 379 Y HN 0.521 nan 8.280 nan 0.000 0.453 380 D N 0.354 120.623 120.400 -0.219 0.000 2.433 380 D HA 0.527 5.167 4.640 -0.000 0.000 0.236 380 D C -1.367 174.596 176.300 -0.563 0.000 1.026 380 D CA -0.125 53.632 54.000 -0.406 0.000 0.884 380 D CB 1.948 42.626 40.800 -0.204 0.000 1.384 380 D HN 0.729 nan 8.370 nan 0.000 0.477 381 D N -0.814 119.145 120.400 -0.736 0.000 2.867 381 D HA 0.435 5.075 4.640 -0.000 0.000 0.308 381 D C 0.385 176.170 176.300 -0.858 0.000 1.202 381 D CA -0.772 52.773 54.000 -0.757 0.000 1.035 381 D CB 0.215 40.905 40.800 -0.184 0.000 1.427 381 D HN 0.271 nan 8.370 nan 0.000 0.570 382 A N -0.605 121.905 122.820 -0.517 0.000 2.019 382 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 382 A C 1.889 179.472 177.584 -0.001 0.000 1.164 382 A CA 2.119 54.029 52.037 -0.212 0.000 0.644 382 A CB -0.941 17.985 19.000 -0.124 0.000 0.805 382 A HN 0.677 nan 8.150 nan 0.000 0.449 383 E N 0.300 120.468 120.200 -0.053 0.000 2.051 383 E HA -0.139 4.211 4.350 -0.000 0.000 0.189 383 E C 2.181 178.922 176.600 0.236 0.000 0.979 383 E CA 1.305 57.701 56.400 -0.007 0.000 0.803 383 E CB -0.120 29.468 29.700 -0.187 0.000 0.761 383 E HN 0.697 nan 8.360 nan 0.000 0.451 384 S N -0.057 115.833 115.700 0.317 0.000 2.419 384 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 384 S C 1.735 176.602 174.600 0.446 0.000 1.016 384 S CA 0.581 59.057 58.200 0.461 0.000 0.974 384 S CB -0.456 62.838 63.200 0.158 0.000 0.786 384 S HN 0.227 nan 8.310 nan 0.000 0.492 385 F N 2.300 122.337 119.950 0.145 0.000 2.365 385 F HA 0.240 4.767 4.527 -0.000 0.000 0.300 385 F C 2.237 178.056 175.800 0.032 0.000 1.090 385 F CA -0.073 58.006 58.000 0.130 0.000 1.408 385 F CB -0.684 38.397 39.000 0.135 0.000 1.060 385 F HN 0.281 nan 8.300 nan 0.000 0.534 386 K N -0.818 119.546 120.400 -0.059 0.000 2.057 386 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 386 K C 1.958 178.358 176.600 -0.334 0.000 1.050 386 K CA 1.634 57.526 56.287 -0.658 0.000 0.935 386 K CB -0.397 31.647 32.500 -0.760 0.000 0.715 386 K HN 0.217 nan 8.250 nan 0.000 0.439 387 Y N 1.162 121.507 120.300 0.075 0.000 2.220 387 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 387 Y C 2.169 178.158 175.900 0.148 0.000 1.129 387 Y CA 1.099 59.283 58.100 0.140 0.000 1.161 387 Y CB -0.112 38.455 38.460 0.179 0.000 0.997 387 Y HN -0.072 nan 8.280 nan 0.000 0.522 388 K N -0.038 120.528 120.400 0.276 0.000 2.097 388 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 388 K C 2.351 179.097 176.600 0.244 0.000 1.049 388 K CA 1.113 57.519 56.287 0.199 0.000 0.933 388 K CB -0.323 32.282 32.500 0.175 0.000 0.717 388 K HN 0.290 nan 8.250 nan 0.000 0.442 389 A N 1.550 124.479 122.820 0.181 0.000 1.898 389 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 389 A C 2.023 179.798 177.584 0.318 0.000 1.181 389 A CA 1.571 53.727 52.037 0.199 0.000 0.620 389 A CB -0.308 18.668 19.000 -0.040 0.000 0.819 389 A HN 0.209 nan 8.150 nan 0.000 0.442 390 K N -1.785 118.747 120.400 0.219 0.000 2.097 390 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 390 K C 1.887 178.659 176.600 0.288 0.000 1.050 390 K CA 1.602 58.025 56.287 0.228 0.000 0.938 390 K CB -0.395 32.198 32.500 0.156 0.000 0.718 390 K HN 0.505 nan 8.250 nan 0.000 0.442 391 Y N 1.184 121.601 120.300 0.194 0.000 2.181 391 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 391 Y C 1.745 177.746 175.900 0.170 0.000 1.146 391 Y CA 1.727 59.937 58.100 0.184 0.000 1.164 391 Y CB -0.035 38.505 38.460 0.134 0.000 0.982 391 Y HN 0.024 nan 8.280 nan 0.000 0.515 392 I N 0.093 120.909 120.570 0.411 0.000 2.264 392 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 392 I C 2.252 178.468 176.117 0.166 0.000 1.111 392 I CA 1.591 63.072 61.300 0.301 0.000 1.382 392 I CB -0.310 37.919 38.000 0.381 0.000 1.060 392 I HN 0.228 nan 8.210 nan 0.000 0.418 393 K N 0.221 120.745 120.400 0.206 0.000 2.031 393 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 393 K C 2.148 178.787 176.600 0.066 0.000 1.049 393 K CA 1.141 57.508 56.287 0.135 0.000 0.939 393 K CB -0.183 32.435 32.500 0.198 0.000 0.717 393 K HN 0.358 nan 8.250 nan 0.000 0.438 394 Q N 0.562 120.394 119.800 0.053 0.000 2.096 394 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 394 Q C 1.859 177.818 176.000 -0.069 0.000 0.982 394 Q CA 1.122 56.923 55.803 -0.004 0.000 0.850 394 Q CB 0.078 28.813 28.738 -0.006 0.000 0.901 394 Q HN 0.238 nan 8.270 nan 0.000 0.422 395 Q N 0.154 119.861 119.800 -0.155 0.000 2.444 395 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 395 Q C -0.203 175.768 176.000 -0.049 0.000 0.948 395 Q CA 0.310 56.012 55.803 -0.168 0.000 0.946 395 Q CB 0.460 28.990 28.738 -0.347 0.000 1.027 395 Q HN 0.411 nan 8.270 nan 0.000 0.513 396 Q N 0.371 120.161 119.800 -0.016 0.000 2.468 396 Q HA -0.187 4.153 4.340 -0.000 0.000 0.289 396 Q C -0.598 175.416 176.000 0.023 0.000 1.299 396 Q CA 0.268 56.075 55.803 0.008 0.000 0.838 396 Q CB -1.919 26.824 28.738 0.009 0.000 1.195 396 Q HN 0.365 nan 8.270 nan 0.000 0.456 397 L N -1.487 119.755 121.223 0.032 0.000 2.456 397 L HA 0.250 4.590 4.340 -0.000 0.000 0.257 397 L C 1.823 178.711 176.870 0.031 0.000 1.162 397 L CA 0.557 55.430 54.840 0.054 0.000 0.808 397 L CB 0.231 42.344 42.059 0.091 0.000 1.136 397 L HN 0.325 nan 8.230 nan 0.000 0.466 398 G N -0.221 108.617 108.800 0.064 0.000 2.484 398 G HA2 0.334 4.294 3.960 -0.000 0.000 0.218 398 G HA3 0.334 4.294 3.960 -0.000 0.000 0.218 398 G C 0.593 175.438 174.900 -0.093 0.000 1.130 398 G CA 0.763 45.912 45.100 0.082 0.000 0.784 398 G HN 0.961 nan 8.290 nan 0.000 0.543 399 G N -2.059 106.671 108.800 -0.117 0.000 2.373 399 G HA2 0.355 4.315 3.960 -0.000 0.000 0.250 399 G HA3 0.355 4.315 3.960 -0.000 0.000 0.250 399 G C -1.657 173.238 174.900 -0.009 0.000 1.304 399 G CA 0.098 45.089 45.100 -0.181 0.000 0.948 399 G HN 0.808 nan 8.290 nan 0.000 0.474 400 V N 1.135 121.091 119.914 0.070 0.000 3.001 400 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 400 V C -0.583 175.576 176.094 0.108 0.000 1.099 400 V CA -0.630 61.765 62.300 0.158 0.000 0.989 400 V CB 1.875 33.873 31.823 0.292 0.000 1.040 400 V HN 1.228 nan 8.190 nan 0.000 0.434 401 M N 5.831 125.521 119.600 0.151 0.000 2.550 401 M HA 0.684 5.164 4.480 -0.000 0.000 0.292 401 M C -2.224 174.260 176.300 0.306 0.000 1.221 401 M CA -0.523 54.851 55.300 0.123 0.000 0.873 401 M CB 2.120 34.782 32.600 0.103 0.000 1.727 401 M HN 0.815 nan 8.290 nan 0.000 0.459 402 F N 1.295 121.319 119.950 0.123 0.000 2.654 402 F HA 0.765 5.292 4.527 -0.000 0.000 0.308 402 F C -2.376 173.501 175.800 0.128 0.000 1.108 402 F CA -1.081 56.932 58.000 0.022 0.000 0.957 402 F CB 1.122 39.820 39.000 -0.504 0.000 1.309 402 F HN 0.695 nan 8.300 nan 0.000 0.446 403 W N 5.271 126.656 121.300 0.142 0.000 2.475 403 W HA 0.588 5.248 4.660 -0.000 0.000 0.320 403 W C -1.994 174.601 176.519 0.127 0.000 1.022 403 W CA -0.675 56.720 57.345 0.083 0.000 1.240 403 W CB 1.549 30.931 29.460 -0.131 0.000 1.328 403 W HN 1.036 nan 8.180 nan 0.000 0.439 404 H N 1.998 120.875 119.070 -0.321 0.000 2.977 404 H HA 0.390 4.946 4.556 -0.000 0.000 0.350 404 H C 0.515 175.721 175.328 -0.203 0.000 1.238 404 H CA -0.921 54.818 56.048 -0.515 0.000 1.124 404 H CB 1.153 30.095 29.762 -1.368 0.000 1.866 404 H HN 0.256 nan 8.280 nan 0.000 0.550 405 L N 0.498 121.760 121.223 0.065 0.000 2.089 405 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 405 L C 2.435 178.936 176.870 -0.615 0.000 1.079 405 L CA 1.983 56.847 54.840 0.040 0.000 0.758 405 L CB -0.606 41.588 42.059 0.224 0.000 0.891 405 L HN 1.023 nan 8.230 nan 0.000 0.433 406 G N -1.472 106.863 108.800 -0.775 0.000 2.679 406 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.212 406 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.212 406 G C 1.362 175.947 174.900 -0.524 0.000 1.137 406 G CA 0.088 44.543 45.100 -1.074 0.000 0.787 406 G HN 0.460 nan 8.290 nan 0.000 0.534 407 Q N -0.340 119.167 119.800 -0.488 0.000 2.356 407 Q HA 0.100 4.440 4.340 -0.000 0.000 0.205 407 Q C 0.235 176.245 176.000 0.017 0.000 0.901 407 Q CA -0.415 55.257 55.803 -0.219 0.000 0.938 407 Q CB 0.526 29.116 28.738 -0.247 0.000 1.081 407 Q HN 0.273 nan 8.270 nan 0.000 0.517 408 D N 1.662 122.102 120.400 0.068 0.000 2.360 408 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 408 D C -0.099 176.241 176.300 0.067 0.000 1.184 408 D CA -0.129 53.895 54.000 0.041 0.000 0.930 408 D CB 0.678 41.536 40.800 0.097 0.000 1.161 408 D HN 0.094 nan 8.370 nan 0.000 0.447 409 N N 0.420 119.183 118.700 0.105 0.000 2.317 409 N HA 0.052 4.792 4.740 -0.000 0.000 0.245 409 N C 0.783 176.351 175.510 0.097 0.000 1.294 409 N CA -0.048 53.056 53.050 0.089 0.000 0.924 409 N CB 0.241 38.783 38.487 0.091 0.000 1.186 409 N HN 0.313 nan 8.380 nan 0.000 0.495 410 R N -0.947 119.606 120.500 0.088 0.000 2.159 410 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 410 R C 0.540 176.902 176.300 0.104 0.000 1.131 410 R CA 1.046 57.214 56.100 0.114 0.000 0.982 410 R CB -0.343 30.006 30.300 0.082 0.000 0.868 410 R HN 0.553 nan 8.270 nan 0.000 0.453 411 N N -0.216 118.527 118.700 0.072 0.000 2.398 411 N HA 0.008 4.747 4.740 -0.000 0.000 0.188 411 N C 0.635 176.178 175.510 0.056 0.000 1.122 411 N CA 0.936 54.019 53.050 0.055 0.000 0.866 411 N CB 0.867 39.373 38.487 0.031 0.000 0.970 411 N HN 0.358 nan 8.380 nan 0.000 0.462 412 G N 1.492 110.335 108.800 0.073 0.000 2.221 412 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.265 412 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.265 412 G C 0.496 175.381 174.900 -0.025 0.000 1.041 412 G CA 0.498 45.636 45.100 0.062 0.000 0.807 412 G HN 0.219 nan 8.290 nan 0.000 0.502 413 D N -0.092 120.271 120.400 -0.062 0.000 2.149 413 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 413 D C 2.730 178.884 176.300 -0.244 0.000 0.990 413 D CA 1.120 55.045 54.000 -0.123 0.000 0.839 413 D CB -0.072 40.679 40.800 -0.081 0.000 0.948 413 D HN 0.547 nan 8.370 nan 0.000 0.460 414 L N 0.010 120.993 121.223 -0.401 0.000 2.027 414 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 414 L C 2.445 179.133 176.870 -0.302 0.000 1.074 414 L CA 0.553 55.062 54.840 -0.551 0.000 0.745 414 L CB -0.471 40.807 42.059 -1.301 0.000 0.898 414 L HN 0.100 nan 8.230 nan 0.000 0.433 415 L N 0.564 121.673 121.223 -0.190 0.000 2.012 415 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 415 L C 2.655 179.470 176.870 -0.091 0.000 1.073 415 L CA 2.079 56.898 54.840 -0.036 0.000 0.748 415 L CB -0.780 41.350 42.059 0.119 0.000 0.891 415 L HN 0.147 nan 8.230 nan 0.000 0.431 416 A N -0.444 122.308 122.820 -0.114 0.000 1.940 416 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 416 A C 2.462 179.857 177.584 -0.316 0.000 1.176 416 A CA 2.002 53.947 52.037 -0.152 0.000 0.631 416 A CB -1.217 17.714 19.000 -0.116 0.000 0.814 416 A HN 0.624 nan 8.150 nan 0.000 0.446 417 A N -0.275 122.297 122.820 -0.413 0.000 1.877 417 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 417 A C 2.185 179.061 177.584 -1.179 0.000 1.186 417 A CA 1.494 53.039 52.037 -0.821 0.000 0.620 417 A CB -0.630 18.044 19.000 -0.543 0.000 0.822 417 A HN 0.473 nan 8.150 nan 0.000 0.443 418 L N -0.558 120.289 121.223 -0.627 0.000 2.012 418 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 418 L C 2.466 179.007 176.870 -0.547 0.000 1.073 418 L CA 1.983 56.469 54.840 -0.590 0.000 0.748 418 L CB -0.613 41.262 42.059 -0.307 0.000 0.891 418 L HN 0.543 nan 8.230 nan 0.000 0.431 419 D N -0.150 120.087 120.400 -0.272 0.000 2.144 419 D HA -0.245 4.395 4.640 -0.000 0.000 0.199 419 D C 2.306 178.518 176.300 -0.145 0.000 0.984 419 D CA 1.187 55.136 54.000 -0.084 0.000 0.834 419 D CB 0.049 40.836 40.800 -0.021 0.000 0.955 419 D HN 0.073 nan 8.370 nan 0.000 0.465 420 R N -1.190 119.097 120.500 -0.355 0.000 2.073 420 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 420 R C 1.896 178.007 176.300 -0.314 0.000 1.134 420 R CA 1.289 57.184 56.100 -0.342 0.000 0.952 420 R CB -0.414 29.578 30.300 -0.513 0.000 0.850 420 R HN 0.262 nan 8.270 nan 0.000 0.433 421 Y N -0.437 119.546 120.300 -0.529 0.000 2.333 421 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 421 Y C 1.843 177.724 175.900 -0.030 0.000 1.144 421 Y CA 0.641 58.430 58.100 -0.518 0.000 1.228 421 Y CB -0.410 37.707 38.460 -0.573 0.000 0.985 421 Y HN 0.070 nan 8.280 nan 0.000 0.542 422 F N -0.840 119.191 119.950 0.134 0.000 2.374 422 F HA 0.067 4.594 4.527 -0.000 0.000 0.291 422 F C 1.397 177.267 175.800 0.117 0.000 1.084 422 F CA 0.602 58.681 58.000 0.132 0.000 1.413 422 F CB -0.688 38.365 39.000 0.088 0.000 1.099 422 F HN 0.020 nan 8.300 nan 0.000 0.534 423 N N -0.858 118.007 118.700 0.274 0.000 2.193 423 N HA 0.288 5.028 4.740 -0.000 0.000 0.210 423 N C 0.266 175.863 175.510 0.144 0.000 1.215 423 N CA 0.091 53.252 53.050 0.185 0.000 0.901 423 N CB 0.494 39.071 38.487 0.150 0.000 1.060 423 N HN -0.000 nan 8.380 nan 0.000 0.508 424 A N 0.885 123.790 122.820 0.142 0.000 2.454 424 A HA 0.542 4.862 4.320 -0.000 0.000 0.260 424 A C 1.348 179.029 177.584 0.162 0.000 1.106 424 A CA -0.084 52.032 52.037 0.132 0.000 0.780 424 A CB 0.220 19.293 19.000 0.122 0.000 1.044 424 A HN 0.319 nan 8.150 nan 0.000 0.498 425 A N 2.277 125.166 122.820 0.115 0.000 2.067 425 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 425 A C 1.132 178.773 177.584 0.095 0.000 1.158 425 A CA 1.641 53.736 52.037 0.097 0.000 0.661 425 A CB -0.292 18.750 19.000 0.070 0.000 0.801 425 A HN 0.838 nan 8.150 nan 0.000 0.452 426 D N -2.876 117.591 120.400 0.111 0.000 2.402 426 D HA 0.119 4.759 4.640 -0.000 0.000 0.216 426 D C -0.077 176.307 176.300 0.140 0.000 1.128 426 D CA -0.402 53.656 54.000 0.097 0.000 0.833 426 D CB -0.547 40.299 40.800 0.077 0.000 0.971 426 D HN 0.389 nan 8.370 nan 0.000 0.503 427 Y N 1.403 121.736 120.300 0.054 0.000 2.328 427 Y HA 0.449 4.999 4.550 -0.000 0.000 0.337 427 Y C -1.269 174.663 175.900 0.054 0.000 1.008 427 Y CA -1.389 56.751 58.100 0.066 0.000 1.129 427 Y CB 1.348 39.877 38.460 0.115 0.000 1.185 427 Y HN -0.220 nan 8.280 nan 0.000 0.476 428 D N 4.861 124.907 120.400 -0.589 0.000 2.469 428 D HA 0.152 4.792 4.640 -0.000 0.000 0.251 428 D C -0.717 175.211 176.300 -0.620 0.000 1.173 428 D CA -0.537 53.193 54.000 -0.451 0.000 0.882 428 D CB 0.861 41.536 40.800 -0.209 0.000 1.129 428 D HN 0.733 nan 8.370 nan 0.000 0.549 429 D N 1.158 121.228 120.400 -0.550 0.000 2.424 429 D HA -0.026 4.614 4.640 -0.000 0.000 0.220 429 D C 1.159 177.361 176.300 -0.163 0.000 1.150 429 D CA -0.094 53.676 54.000 -0.383 0.000 0.831 429 D CB 0.011 40.646 40.800 -0.274 0.000 0.981 429 D HN 0.166 nan 8.370 nan 0.000 0.500 430 S N 0.195 115.819 115.700 -0.126 0.000 2.419 430 S HA -0.245 4.225 4.470 -0.000 0.000 0.233 430 S C 1.599 176.176 174.600 -0.039 0.000 1.016 430 S CA 0.798 58.964 58.200 -0.056 0.000 0.974 430 S CB -0.519 62.654 63.200 -0.044 0.000 0.786 430 S HN 0.375 nan 8.310 nan 0.000 0.492 431 Q N 0.247 120.012 119.800 -0.060 0.000 2.319 431 Q HA 0.368 4.708 4.340 -0.000 0.000 0.202 431 Q C -0.304 175.686 176.000 -0.016 0.000 0.896 431 Q CA -0.364 55.421 55.803 -0.031 0.000 0.942 431 Q CB 0.004 28.720 28.738 -0.036 0.000 1.083 431 Q HN 0.452 nan 8.270 nan 0.000 0.510 432 L N 2.267 123.466 121.223 -0.040 0.000 2.500 432 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 432 L C -0.523 176.410 176.870 0.106 0.000 1.149 432 L CA 0.404 55.231 54.840 -0.021 0.000 0.897 432 L CB 0.469 42.443 42.059 -0.142 0.000 1.178 432 L HN -0.074 nan 8.230 nan 0.000 0.473 433 D N 4.414 124.930 120.400 0.193 0.000 2.316 433 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 433 D C 1.013 177.534 176.300 0.368 0.000 1.171 433 D CA -0.300 53.835 54.000 0.226 0.000 0.856 433 D CB 0.885 41.784 40.800 0.165 0.000 1.090 433 D HN 0.506 nan 8.370 nan 0.000 0.476 434 M N 2.603 122.392 119.600 0.314 0.000 2.630 434 M HA 0.165 4.645 4.480 -0.000 0.000 0.254 434 M C 1.255 177.677 176.300 0.204 0.000 1.092 434 M CA 0.569 56.103 55.300 0.391 0.000 1.087 434 M CB -1.615 31.217 32.600 0.386 0.000 1.453 434 M HN 0.647 nan 8.290 nan 0.000 0.509 435 G N 0.811 109.676 108.800 0.109 0.000 2.698 435 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.233 435 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.233 435 G C 0.281 175.137 174.900 -0.073 0.000 1.352 435 G CA 0.251 45.366 45.100 0.026 0.000 0.879 435 G HN 0.449 nan 8.290 nan 0.000 0.567 436 T N -1.635 112.879 114.554 -0.068 0.000 3.174 436 T HA 0.599 4.949 4.350 -0.000 0.000 0.269 436 T C 1.282 175.916 174.700 -0.109 0.000 1.017 436 T CA 1.087 63.129 62.100 -0.096 0.000 0.899 436 T CB 0.339 69.180 68.868 -0.045 0.000 1.077 436 T HN 1.994 nan 8.240 nan 0.000 0.552 437 G N 1.961 110.691 108.800 -0.116 0.000 2.690 437 G HA2 0.431 4.391 3.960 -0.000 0.000 0.239 437 G HA3 0.431 4.391 3.960 -0.000 0.000 0.239 437 G C -0.169 174.680 174.900 -0.084 0.000 1.233 437 G CA -0.649 44.428 45.100 -0.039 0.000 0.847 437 G HN 0.349 nan 8.290 nan 0.000 0.588 438 L N 0.786 122.018 121.223 0.014 0.000 2.462 438 L HA 0.266 4.606 4.340 -0.000 0.000 0.272 438 L C 0.931 177.868 176.870 0.112 0.000 1.166 438 L CA 0.010 54.868 54.840 0.030 0.000 0.880 438 L CB 0.595 42.686 42.059 0.053 0.000 1.142 438 L HN 0.444 nan 8.230 nan 0.000 0.473 439 R N 2.188 122.725 120.500 0.062 0.000 2.500 439 R HA 0.260 4.600 4.340 -0.000 0.000 0.277 439 R C -0.835 175.602 176.300 0.228 0.000 1.026 439 R CA -0.607 55.602 56.100 0.182 0.000 1.058 439 R CB 0.371 30.717 30.300 0.077 0.000 1.078 439 R HN 0.362 nan 8.270 nan 0.000 0.509 440 Y N 1.105 121.527 120.300 0.203 0.000 2.496 440 Y HA 0.023 4.573 4.550 -0.000 0.000 0.334 440 Y C 1.064 177.024 175.900 0.099 0.000 1.080 440 Y CA 0.326 58.526 58.100 0.167 0.000 1.355 440 Y CB 0.725 39.296 38.460 0.186 0.000 1.193 440 Y HN 0.748 nan 8.280 nan 0.000 0.523 441 T N 1.659 115.973 114.554 -0.399 0.000 3.144 441 T HA 0.264 4.614 4.350 -0.000 0.000 0.249 441 T C 0.856 175.348 174.700 -0.345 0.000 1.089 441 T CA 0.074 62.005 62.100 -0.281 0.000 0.989 441 T CB -0.533 68.212 68.868 -0.205 0.000 0.992 441 T HN 0.763 nan 8.240 nan 0.000 0.540 442 G N 0.781 109.225 108.800 -0.594 0.000 2.483 442 G HA2 0.489 4.449 3.960 -0.000 0.000 0.248 442 G HA3 0.489 4.449 3.960 -0.000 0.000 0.248 442 G C -0.903 173.959 174.900 -0.064 0.000 1.248 442 G CA -0.342 44.588 45.100 -0.282 0.000 0.838 442 G HN 0.382 nan 8.290 nan 0.000 0.566 443 V N 1.292 121.131 119.914 -0.124 0.000 2.638 443 V HA 0.817 4.937 4.120 -0.000 0.000 0.306 443 V C 0.693 176.693 176.094 -0.156 0.000 1.052 443 V CA 0.056 62.298 62.300 -0.097 0.000 0.885 443 V CB 1.499 33.253 31.823 -0.115 0.000 0.999 443 V HN 1.134 nan 8.190 nan 0.000 0.424 444 G N 3.831 112.567 108.800 -0.106 0.000 3.176 444 G HA2 0.630 4.590 3.960 -0.000 0.000 0.272 444 G HA3 0.630 4.590 3.960 -0.000 0.000 0.272 444 G C -2.459 172.328 174.900 -0.187 0.000 1.349 444 G CA -1.145 43.854 45.100 -0.169 0.000 0.953 444 G HN 0.472 nan 8.290 nan 0.000 0.559 445 P HA 0.055 nan 4.420 nan 0.000 0.221 445 P C 1.641 178.904 177.300 -0.062 0.000 1.150 445 P CA 1.371 64.360 63.100 -0.185 0.000 0.800 445 P CB 0.221 31.813 31.700 -0.180 0.000 0.787 446 G N -0.175 108.625 108.800 -0.000 0.000 2.777 446 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.211 446 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.211 446 G C 0.709 175.626 174.900 0.027 0.000 1.149 446 G CA 0.115 45.233 45.100 0.031 0.000 0.785 446 G HN 0.353 nan 8.290 nan 0.000 0.536 447 N N -0.024 118.682 118.700 0.011 0.000 2.588 447 N HA 0.166 4.906 4.740 -0.000 0.000 0.298 447 N C -0.357 175.143 175.510 -0.017 0.000 1.718 447 N CA -0.426 52.632 53.050 0.013 0.000 0.888 447 N CB -0.558 37.957 38.487 0.046 0.000 1.389 447 N HN 0.060 nan 8.380 nan 0.000 0.491 448 L N 1.405 122.605 121.223 -0.039 0.000 2.456 448 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 448 L C -1.584 175.260 176.870 -0.042 0.000 1.189 448 L CA -1.151 53.653 54.840 -0.060 0.000 0.846 448 L CB 0.449 42.466 42.059 -0.071 0.000 1.111 448 L HN 0.117 nan 8.230 nan 0.000 0.475 449 P HA 0.246 nan 4.420 nan 0.000 0.279 449 P C -0.572 176.701 177.300 -0.045 0.000 1.252 449 P CA -0.502 62.575 63.100 -0.038 0.000 0.811 449 P CB 1.150 32.829 31.700 -0.035 0.000 1.035 450 I N 1.743 122.288 120.570 -0.040 0.000 2.496 450 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 450 I C 0.878 176.971 176.117 -0.041 0.000 1.080 450 I CA 0.347 61.619 61.300 -0.048 0.000 1.404 450 I CB 0.047 38.022 38.000 -0.043 0.000 1.403 450 I HN 0.192 nan 8.210 nan 0.000 0.539 451 M N 4.647 124.220 119.600 -0.045 0.000 2.667 451 M HA 0.474 4.954 4.480 -0.000 0.000 0.286 451 M C -0.656 175.629 176.300 -0.025 0.000 1.270 451 M CA -0.707 54.573 55.300 -0.032 0.000 0.826 451 M CB 2.735 35.314 32.600 -0.034 0.000 1.743 451 M HN 0.563 nan 8.290 nan 0.000 0.460 452 T N -0.795 113.753 114.554 -0.010 0.000 2.893 452 T HA 0.954 5.304 4.350 -0.000 0.000 0.293 452 T C -1.172 173.538 174.700 0.016 0.000 1.027 452 T CA -0.739 61.362 62.100 0.001 0.000 0.988 452 T CB 2.050 70.918 68.868 0.001 0.000 1.043 452 T HN 0.990 nan 8.240 nan 0.000 0.461 453 A N 3.234 126.073 122.820 0.032 0.000 2.605 453 A HA 0.851 5.171 4.320 -0.000 0.000 0.294 453 A C -3.077 174.546 177.584 0.065 0.000 1.062 453 A CA -1.549 50.518 52.037 0.050 0.000 0.682 453 A CB 0.845 19.882 19.000 0.061 0.000 1.278 453 A HN 0.747 nan 8.150 nan 0.000 0.410 454 P HA 0.335 nan 4.420 nan 0.000 0.267 454 P C 0.095 177.463 177.300 0.113 0.000 1.201 454 P CA 0.354 63.504 63.100 0.085 0.000 0.775 454 P CB 0.570 32.324 31.700 0.090 0.000 0.854 455 A N 2.782 125.672 122.820 0.117 0.000 2.388 455 A HA 0.163 4.483 4.320 -0.000 0.000 0.257 455 A C -0.165 177.547 177.584 0.213 0.000 1.095 455 A CA -0.446 51.690 52.037 0.165 0.000 0.791 455 A CB -0.409 18.673 19.000 0.138 0.000 1.029 455 A HN 0.578 nan 8.150 nan 0.000 0.489 456 Y N 2.561 122.935 120.300 0.124 0.000 2.810 456 Y HA 0.240 4.790 4.550 -0.000 0.000 0.332 456 Y C -0.236 175.756 175.900 0.154 0.000 1.243 456 Y CA 0.615 58.765 58.100 0.083 0.000 1.537 456 Y CB 0.274 38.630 38.460 -0.173 0.000 1.265 456 Y HN 0.343 nan 8.280 nan 0.000 0.572 457 V N 9.950 129.638 119.914 -0.377 0.000 2.313 457 V HA 0.275 4.395 4.120 -0.000 0.000 0.278 457 V C -2.115 173.528 176.094 -0.753 0.000 1.017 457 V CA -2.094 59.961 62.300 -0.409 0.000 0.823 457 V CB 1.041 32.772 31.823 -0.153 0.000 1.010 457 V HN 0.743 nan 8.190 nan 0.000 0.443 458 P HA 0.199 nan 4.420 nan 0.000 0.262 458 P C 1.059 178.223 177.300 -0.226 0.000 1.182 458 P CA 1.521 64.361 63.100 -0.433 0.000 0.761 458 P CB 0.624 32.255 31.700 -0.116 0.000 0.795 459 G N 1.462 110.186 108.800 -0.127 0.000 2.234 459 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.235 459 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.235 459 G C 0.377 175.194 174.900 -0.140 0.000 0.997 459 G CA -0.039 45.007 45.100 -0.090 0.000 0.623 459 G HN 0.599 nan 8.290 nan 0.000 0.514 460 T N 2.242 116.641 114.554 -0.259 0.000 2.897 460 T HA 0.522 4.872 4.350 -0.000 0.000 0.294 460 T C 0.359 174.775 174.700 -0.474 0.000 1.004 460 T CA 0.748 62.606 62.100 -0.404 0.000 1.106 460 T CB 1.308 69.814 68.868 -0.603 0.000 0.949 460 T HN 0.213 nan 8.240 nan 0.000 0.520 461 T N 3.771 118.104 114.554 -0.370 0.000 2.743 461 T HA 0.339 4.689 4.350 -0.000 0.000 0.293 461 T C -0.726 173.751 174.700 -0.372 0.000 0.945 461 T CA -0.277 61.685 62.100 -0.229 0.000 1.030 461 T CB -0.052 68.789 68.868 -0.045 0.000 0.912 461 T HN 0.342 nan 8.240 nan 0.000 0.483 462 Y N 1.950 122.224 120.300 -0.042 0.000 2.326 462 Y HA 0.556 5.106 4.550 -0.000 0.000 0.337 462 Y C 0.725 176.483 175.900 -0.238 0.000 1.023 462 Y CA -0.995 57.044 58.100 -0.102 0.000 1.143 462 Y CB 0.671 39.093 38.460 -0.064 0.000 1.183 462 Y HN 0.789 nan 8.280 nan 0.000 0.485 463 A N 2.896 125.680 122.820 -0.061 0.000 2.249 463 A HA 0.293 4.613 4.320 -0.000 0.000 0.281 463 A C -0.074 177.436 177.584 -0.124 0.000 1.127 463 A CA -0.779 51.152 52.037 -0.177 0.000 0.833 463 A CB 0.227 19.143 19.000 -0.141 0.000 1.140 463 A HN 0.777 nan 8.150 nan 0.000 0.502 464 Q N -0.408 119.329 119.800 -0.106 0.000 2.289 464 Q HA 0.393 4.733 4.340 -0.000 0.000 0.273 464 Q C 0.776 176.744 176.000 -0.054 0.000 1.029 464 Q CA 0.957 56.717 55.803 -0.072 0.000 0.896 464 Q CB 0.056 28.792 28.738 -0.003 0.000 1.182 464 Q HN 1.904 nan 8.270 nan 0.000 0.385 465 G N 2.372 111.129 108.800 -0.073 0.000 2.132 465 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.228 465 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.228 465 G C 0.001 174.894 174.900 -0.012 0.000 1.000 465 G CA -0.142 44.939 45.100 -0.032 0.000 0.693 465 G HN 0.985 nan 8.290 nan 0.000 0.515 466 A N 0.215 123.012 122.820 -0.038 0.000 2.404 466 A HA 0.674 4.994 4.320 -0.000 0.000 0.273 466 A C 0.477 178.105 177.584 0.072 0.000 1.144 466 A CA 0.094 52.146 52.037 0.025 0.000 0.806 466 A CB 0.310 19.331 19.000 0.036 0.000 1.080 466 A HN 0.855 nan 8.150 nan 0.000 0.509 467 L N 4.201 125.477 121.223 0.090 0.000 2.262 467 L HA 0.531 4.871 4.340 -0.000 0.000 0.288 467 L C -0.438 176.493 176.870 0.102 0.000 1.035 467 L CA -0.651 54.255 54.840 0.108 0.000 0.820 467 L CB 1.300 43.404 42.059 0.076 0.000 1.204 467 L HN 0.607 nan 8.230 nan 0.000 0.424 468 V N 0.351 120.332 119.914 0.112 0.000 2.686 468 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 468 V C 0.045 176.227 176.094 0.146 0.000 1.065 468 V CA -0.741 61.614 62.300 0.091 0.000 0.894 468 V CB 1.654 33.478 31.823 0.002 0.000 1.004 468 V HN 0.695 nan 8.190 nan 0.000 0.424 469 S N 3.843 119.640 115.700 0.163 0.000 2.565 469 S HA 0.770 5.240 4.470 -0.000 0.000 0.274 469 S C -0.852 173.924 174.600 0.294 0.000 1.309 469 S CA -0.369 57.944 58.200 0.189 0.000 1.043 469 S CB 0.756 64.020 63.200 0.106 0.000 0.939 469 S HN 1.598 nan 8.310 nan 0.000 0.504 470 Y N 1.940 122.341 120.300 0.170 0.000 2.409 470 Y HA 0.289 4.839 4.550 -0.000 0.000 0.321 470 Y C -0.178 175.848 175.900 0.211 0.000 1.209 470 Y CA -0.124 58.034 58.100 0.097 0.000 1.086 470 Y CB 1.102 39.467 38.460 -0.159 0.000 1.320 470 Y HN 1.084 nan 8.280 nan 0.000 0.440 471 Q N 3.602 123.158 119.800 -0.406 0.000 2.481 471 Q HA -0.129 4.211 4.340 -0.000 0.000 0.272 471 Q C 0.625 176.632 176.000 0.012 0.000 1.157 471 Q CA 2.156 57.837 55.803 -0.204 0.000 0.935 471 Q CB -1.929 26.732 28.738 -0.128 0.000 1.338 471 Q HN 2.321 nan 8.270 nan 0.000 0.494 472 G N -2.114 106.637 108.800 -0.082 0.000 2.141 472 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 472 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 472 G C -0.326 174.230 174.900 -0.573 0.000 0.982 472 G CA 0.159 45.076 45.100 -0.305 0.000 0.662 472 G HN 0.687 nan 8.290 nan 0.000 0.527 473 Y N -1.948 118.324 120.300 -0.046 0.000 2.597 473 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 473 Y C 0.162 175.904 175.900 -0.262 0.000 1.097 473 Y CA -1.123 56.821 58.100 -0.260 0.000 1.037 473 Y CB 1.817 39.921 38.460 -0.594 0.000 1.305 473 Y HN 0.134 nan 8.280 nan 0.000 0.463 474 V N 1.554 121.369 119.914 -0.165 0.000 2.439 474 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 474 V C -1.120 174.807 176.094 -0.277 0.000 1.039 474 V CA -0.704 61.542 62.300 -0.091 0.000 0.913 474 V CB 0.523 32.317 31.823 -0.049 0.000 0.983 474 V HN 0.658 nan 8.190 nan 0.000 0.460 475 W N 2.607 123.889 121.300 -0.029 0.000 2.761 475 W HA 0.717 5.377 4.660 -0.000 0.000 0.340 475 W C -0.134 176.476 176.519 0.151 0.000 1.072 475 W CA -0.562 56.782 57.345 -0.001 0.000 1.215 475 W CB 1.443 30.773 29.460 -0.216 0.000 1.420 475 W HN 0.439 nan 8.180 nan 0.000 0.519 476 Q N 1.191 121.248 119.800 0.429 0.000 2.375 476 Q HA 0.506 4.846 4.340 -0.000 0.000 0.271 476 Q C -0.262 175.820 176.000 0.137 0.000 1.074 476 Q CA -0.614 55.341 55.803 0.254 0.000 0.808 476 Q CB 1.959 30.755 28.738 0.096 0.000 1.327 476 Q HN 0.540 nan 8.270 nan 0.000 0.441 477 T N 0.413 114.855 114.554 -0.186 0.000 2.897 477 T HA 0.295 4.645 4.350 -0.000 0.000 0.294 477 T C 0.490 174.973 174.700 -0.363 0.000 1.004 477 T CA -0.487 61.247 62.100 -0.609 0.000 1.106 477 T CB 1.189 69.588 68.868 -0.783 0.000 0.949 477 T HN 0.693 nan 8.240 nan 0.000 0.520 478 K N 1.209 121.322 120.400 -0.478 0.000 2.314 478 K HA 0.204 4.524 4.320 -0.000 0.000 0.198 478 K C 0.006 176.628 176.600 0.037 0.000 1.045 478 K CA 0.193 56.376 56.287 -0.174 0.000 0.988 478 K CB 0.214 32.654 32.500 -0.100 0.000 0.783 478 K HN 0.849 nan 8.250 nan 0.000 0.484 479 W N -1.172 120.045 121.300 -0.137 0.000 3.018 479 W HA 0.616 5.276 4.660 0.000 0.000 0.382 479 W C -0.297 176.137 176.519 -0.141 0.000 1.161 479 W CA -1.406 55.875 57.345 -0.107 0.000 1.144 479 W CB -0.138 29.279 29.460 -0.071 0.000 1.499 479 W HN -0.171 nan 8.180 nan 0.000 0.596 480 G N -0.946 107.983 108.800 0.214 0.000 2.557 480 G HA2 0.421 4.381 3.960 -0.000 0.000 0.292 480 G HA3 0.421 4.381 3.960 -0.000 0.000 0.292 480 G C -1.160 173.803 174.900 0.105 0.000 1.237 480 G CA -0.631 44.467 45.100 -0.003 0.000 0.978 480 G HN 0.961 nan 8.290 nan 0.000 0.498 481 Y N -2.382 117.950 120.300 0.053 0.000 3.305 481 Y HA -0.156 4.394 4.550 -0.000 0.000 0.212 481 Y C 0.458 176.379 175.900 0.036 0.000 1.248 481 Y CA -0.209 57.919 58.100 0.046 0.000 1.359 481 Y CB -1.774 36.723 38.460 0.061 0.000 1.407 481 Y HN 0.189 nan 8.280 nan 0.000 0.572 482 I N 0.041 120.621 120.570 0.018 0.000 2.325 482 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 482 I C 1.220 177.422 176.117 0.142 0.000 1.019 482 I CA 0.129 61.399 61.300 -0.049 0.000 1.302 482 I CB 1.449 39.173 38.000 -0.460 0.000 1.401 482 I HN 0.193 nan 8.210 nan 0.000 0.485 483 T N 3.291 117.950 114.554 0.175 0.000 3.091 483 T HA 0.086 4.435 4.350 -0.000 0.000 0.277 483 T C 0.798 175.669 174.700 0.285 0.000 0.996 483 T CA -0.116 62.121 62.100 0.229 0.000 0.897 483 T CB 0.225 69.174 68.868 0.134 0.000 1.109 483 T HN 0.743 nan 8.240 nan 0.000 0.534 484 S N 1.021 116.881 115.700 0.266 0.000 2.652 484 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 484 S C 0.245 174.909 174.600 0.107 0.000 1.243 484 S CA -0.804 57.514 58.200 0.196 0.000 0.999 484 S CB 1.394 64.679 63.200 0.141 0.000 0.973 484 S HN 0.310 nan 8.310 nan 0.000 0.544 485 A N 2.036 124.704 122.820 -0.252 0.000 2.366 485 A HA 0.576 4.896 4.320 -0.000 0.000 0.272 485 A C -2.513 174.312 177.584 -1.264 0.000 1.135 485 A CA -1.765 49.649 52.037 -1.039 0.000 0.804 485 A CB -0.809 17.750 19.000 -0.734 0.000 1.064 485 A HN 0.670 nan 8.150 nan 0.000 0.499 486 P HA 0.191 nan 4.420 nan 0.000 0.261 486 P C 1.129 177.271 177.300 -1.929 0.000 1.173 486 P CA 2.006 63.368 63.100 -2.897 0.000 0.760 486 P CB 0.604 30.465 31.700 -3.065 0.000 0.783 487 G N 2.101 109.947 108.800 -1.591 0.000 2.391 487 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.204 487 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.204 487 G C 0.853 175.527 174.900 -0.376 0.000 1.012 487 G CA 0.293 44.796 45.100 -0.995 0.000 0.651 487 G HN 0.574 nan 8.290 nan 0.000 0.494 488 S N 0.897 116.422 115.700 -0.291 0.000 2.741 488 S HA 0.451 4.921 4.470 -0.000 0.000 0.247 488 S C -0.904 173.681 174.600 -0.025 0.000 1.050 488 S CA 0.454 58.588 58.200 -0.110 0.000 1.025 488 S CB 0.222 63.368 63.200 -0.091 0.000 0.897 488 S HN 0.542 nan 8.310 nan 0.000 0.508 489 D N 0.539 120.953 120.400 0.024 0.000 2.890 489 D HA 0.195 4.835 4.640 -0.000 0.000 0.233 489 D C 0.790 177.132 176.300 0.070 0.000 1.306 489 D CA -0.209 53.836 54.000 0.075 0.000 0.929 489 D CB 2.003 42.864 40.800 0.102 0.000 1.512 489 D HN 0.138 nan 8.370 nan 0.000 0.568 490 S N 1.946 117.697 115.700 0.086 0.000 2.584 490 S HA -0.052 4.418 4.470 -0.000 0.000 0.240 490 S C 1.613 176.176 174.600 -0.061 0.000 0.975 490 S CA 0.709 58.968 58.200 0.097 0.000 0.949 490 S CB -0.093 63.217 63.200 0.182 0.000 0.761 490 S HN 0.448 nan 8.310 nan 0.000 0.536 491 A N -0.026 122.585 122.820 -0.349 0.000 2.167 491 A HA 0.251 4.571 4.320 -0.000 0.000 0.214 491 A C 0.302 177.356 177.584 -0.884 0.000 1.151 491 A CA -0.183 51.124 52.037 -1.216 0.000 0.735 491 A CB -0.410 17.758 19.000 -1.387 0.000 0.802 491 A HN 0.701 nan 8.150 nan 0.000 0.467 492 W N -1.129 119.964 121.300 -0.345 0.000 2.469 492 W HA 0.569 5.229 4.660 -0.000 0.000 0.320 492 W C -0.507 176.025 176.519 0.020 0.000 1.086 492 W CA -0.875 56.364 57.345 -0.176 0.000 1.211 492 W CB 1.279 30.606 29.460 -0.221 0.000 1.298 492 W HN 0.053 nan 8.180 nan 0.000 0.525 493 L N 4.363 125.795 121.223 0.348 0.000 2.319 493 L HA 0.405 4.745 4.340 -0.000 0.000 0.281 493 L C -0.040 176.916 176.870 0.142 0.000 1.005 493 L CA -1.126 53.830 54.840 0.194 0.000 0.828 493 L CB 0.932 43.030 42.059 0.065 0.000 1.227 493 L HN 0.349 nan 8.230 nan 0.000 0.415 494 K N 4.111 124.439 120.400 -0.119 0.000 2.378 494 K HA 0.270 4.590 4.320 -0.000 0.000 0.288 494 K C 0.456 176.802 176.600 -0.423 0.000 1.057 494 K CA 0.316 56.171 56.287 -0.720 0.000 0.971 494 K CB 0.658 32.498 32.500 -1.101 0.000 0.975 494 K HN 0.679 nan 8.250 nan 0.000 0.475 495 V N 0.751 120.459 119.914 -0.345 0.000 3.556 495 V HA 0.467 4.587 4.120 -0.000 0.000 0.287 495 V C 0.365 176.354 176.094 -0.174 0.000 1.422 495 V CA 0.419 62.596 62.300 -0.205 0.000 1.038 495 V CB 0.373 32.131 31.823 -0.108 0.000 0.850 495 V HN 0.727 nan 8.190 nan 0.000 0.437 496 G N -0.194 108.488 108.800 -0.197 0.000 2.623 496 G HA2 0.603 4.563 3.960 -0.000 0.000 0.290 496 G HA3 0.603 4.563 3.960 -0.000 0.000 0.290 496 G C -1.629 173.234 174.900 -0.060 0.000 1.437 496 G CA -1.102 43.931 45.100 -0.111 0.000 0.798 496 G HN 0.176 nan 8.290 nan 0.000 0.488 497 R N -0.396 120.067 120.500 -0.061 0.000 2.540 497 R HA 0.673 5.013 4.340 -0.000 0.000 0.287 497 R C 0.002 176.214 176.300 -0.148 0.000 0.980 497 R CA -0.624 55.402 56.100 -0.124 0.000 0.966 497 R CB 2.156 32.388 30.300 -0.113 0.000 1.106 497 R HN 0.317 nan 8.270 nan 0.000 0.480 498 V N 0.000 119.780 119.914 -0.223 0.000 2.409 498 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 498 V CA 0.000 62.206 62.300 -0.156 0.000 1.235 498 V CB 0.000 31.719 31.823 -0.173 0.000 1.184 498 V HN 0.000 nan 8.190 nan 0.000 0.556