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 2fss_1_C DATA FIRST_RESID 1 DATA SEQUENCE AKIVLVLYDA GKHAADEEKL YGCTENKLGI ANWLKDQGHE LITTSDEEGG DATA SEQUENCE NSVLDQHIPD ADIIITTPFH PAYITKERID KAKKLKLVVV AGVGSDHIDL DATA SEQUENCE DYINQTGKKI SVLEVTGSNV VSVAEHVVMT MLVLVRNFVP AHEQIINHDW DATA SEQUENCE EVAAIAKDAY DIEGKTIATI GAGRIGYRVL ERLVPFNPKE LLYYDYQALP DATA SEQUENCE KDAEEKVGAR RVENIEELVA QADIVTVNAP LHAGTKGLIN KELLSKFKKG DATA SEQUENCE AWLVNTARGA ICVAEDVAAA LESGQLRGYG GDVWFPQPAP KDHPWRDMRN DATA SEQUENCE KYGAGNAMTP HYSGTTLDAQ TRYAQGTKNI LESFFTGKFD YRPQDIILLN DATA SEQUENCE GEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.689 177.584 0.175 0.000 1.274 1 A CA 0.000 52.181 52.037 0.239 0.000 0.836 1 A CB 0.000 19.187 19.000 0.312 0.000 0.831 2 K N 1.194 121.678 120.400 0.139 0.000 2.227 2 K HA 0.664 4.984 4.320 -0.000 0.000 0.280 2 K C -1.406 175.251 176.600 0.094 0.000 1.041 2 K CA -0.366 55.981 56.287 0.101 0.000 0.905 2 K CB 0.389 32.942 32.500 0.089 0.000 1.068 2 K HN 0.501 nan 8.250 nan 0.000 0.470 3 I N 4.154 124.767 120.570 0.073 0.000 2.436 3 I HA 0.187 4.357 4.170 -0.000 0.000 0.289 3 I C -0.813 175.321 176.117 0.028 0.000 1.010 3 I CA -0.802 60.535 61.300 0.062 0.000 1.098 3 I CB 2.053 40.111 38.000 0.096 0.000 1.266 3 I HN 0.193 nan 8.210 nan 0.000 0.434 4 V N 6.731 126.659 119.914 0.024 0.000 2.333 4 V HA 0.373 4.493 4.120 -0.000 0.000 0.274 4 V C -0.430 175.680 176.094 0.026 0.000 1.028 4 V CA -0.606 61.703 62.300 0.015 0.000 0.851 4 V CB 1.354 33.201 31.823 0.039 0.000 1.000 4 V HN 0.449 nan 8.190 nan 0.000 0.456 5 L N 7.724 128.961 121.223 0.024 0.000 2.280 5 L HA 0.620 4.960 4.340 -0.000 0.000 0.287 5 L C -0.356 176.538 176.870 0.039 0.000 1.023 5 L CA 0.069 54.929 54.840 0.034 0.000 0.819 5 L CB 1.570 43.651 42.059 0.036 0.000 1.212 5 L HN 0.417 nan 8.230 nan 0.000 0.420 6 V N 7.041 126.989 119.914 0.056 0.000 2.328 6 V HA 0.531 4.651 4.120 -0.000 0.000 0.278 6 V C 0.239 176.396 176.094 0.106 0.000 1.021 6 V CA -0.373 61.981 62.300 0.090 0.000 0.838 6 V CB 0.922 32.807 31.823 0.104 0.000 0.999 6 V HN 0.720 nan 8.190 nan 0.000 0.447 7 L N 3.691 124.957 121.223 0.071 0.000 2.170 7 L HA 0.670 5.010 4.340 -0.000 0.000 0.247 7 L C -0.701 176.046 176.870 -0.205 0.000 1.078 7 L CA -1.195 53.627 54.840 -0.030 0.000 0.936 7 L CB 1.850 43.806 42.059 -0.172 0.000 1.528 7 L HN 0.673 nan 8.230 nan 0.000 0.455 8 Y N -2.005 118.109 120.300 -0.310 0.000 2.354 8 Y HA 0.480 5.030 4.550 -0.000 0.000 0.322 8 Y C -0.598 175.161 175.900 -0.236 0.000 1.253 8 Y CA -1.251 56.513 58.100 -0.561 0.000 1.272 8 Y CB 0.162 38.373 38.460 -0.415 0.000 1.255 8 Y HN 0.252 nan 8.280 nan 0.000 0.500 9 D N 1.272 121.665 120.400 -0.011 0.000 2.339 9 D HA 0.304 4.944 4.640 -0.000 0.000 0.241 9 D C 0.427 176.824 176.300 0.162 0.000 1.183 9 D CA 0.084 54.103 54.000 0.031 0.000 0.859 9 D CB 1.696 42.512 40.800 0.026 0.000 1.067 9 D HN 0.833 nan 8.370 nan 0.000 0.484 10 A N 2.575 125.485 122.820 0.149 0.000 2.072 10 A HA 0.354 4.674 4.320 -0.000 0.000 0.216 10 A C 1.484 179.164 177.584 0.160 0.000 1.156 10 A CA 1.012 53.194 52.037 0.242 0.000 0.701 10 A CB -0.403 18.734 19.000 0.228 0.000 0.816 10 A HN 0.735 nan 8.150 nan 0.000 0.458 11 G N 0.413 109.248 108.800 0.059 0.000 2.583 11 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.292 11 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.292 11 G C 0.786 175.644 174.900 -0.071 0.000 1.203 11 G CA 0.962 46.054 45.100 -0.013 0.000 0.987 11 G HN 0.616 nan 8.290 nan 0.000 0.554 12 K N 0.285 120.571 120.400 -0.191 0.000 2.211 12 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 12 K C 1.985 178.460 176.600 -0.208 0.000 1.047 12 K CA 2.149 58.301 56.287 -0.224 0.000 0.935 12 K CB -0.527 31.797 32.500 -0.294 0.000 0.728 12 K HN 0.752 nan 8.250 nan 0.000 0.452 13 H N 0.078 119.147 119.070 -0.002 0.000 2.457 13 H HA 0.065 4.621 4.556 -0.000 0.000 0.294 13 H C 1.983 177.305 175.328 -0.010 0.000 1.064 13 H CA 1.000 57.045 56.048 -0.004 0.000 1.330 13 H CB 0.040 29.805 29.762 0.005 0.000 1.395 13 H HN 0.353 nan 8.280 nan 0.000 0.541 14 A N 0.774 123.635 122.820 0.068 0.000 2.016 14 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 14 A C 2.430 180.005 177.584 -0.015 0.000 1.162 14 A CA 0.904 52.949 52.037 0.014 0.000 0.662 14 A CB -0.572 18.427 19.000 -0.002 0.000 0.812 14 A HN 0.444 nan 8.150 nan 0.000 0.450 15 A N 0.252 123.059 122.820 -0.021 0.000 1.969 15 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 15 A C 1.649 179.219 177.584 -0.023 0.000 1.169 15 A CA 1.746 53.767 52.037 -0.027 0.000 0.635 15 A CB -0.404 18.573 19.000 -0.038 0.000 0.810 15 A HN 0.421 nan 8.150 nan 0.000 0.445 16 D N -0.793 119.600 120.400 -0.013 0.000 2.183 16 D HA 0.036 4.676 4.640 -0.000 0.000 0.203 16 D C 0.449 176.740 176.300 -0.016 0.000 0.969 16 D CA 1.181 55.178 54.000 -0.005 0.000 0.842 16 D CB 0.136 40.951 40.800 0.025 0.000 0.957 16 D HN 0.467 nan 8.370 nan 0.000 0.484 17 E N 0.026 120.208 120.200 -0.030 0.000 2.294 17 E HA 0.055 4.405 4.350 -0.000 0.000 0.272 17 E C 0.495 177.026 176.600 -0.115 0.000 0.896 17 E CA -0.339 56.025 56.400 -0.060 0.000 0.802 17 E CB 1.193 30.865 29.700 -0.048 0.000 1.267 17 E HN 0.041 nan 8.360 nan 0.000 0.406 18 E N 3.896 124.014 120.200 -0.137 0.000 2.107 18 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 18 E C 0.535 176.855 176.600 -0.467 0.000 0.982 18 E CA 0.807 57.083 56.400 -0.207 0.000 0.809 18 E CB -0.034 29.593 29.700 -0.122 0.000 0.756 18 E HN 0.345 nan 8.360 nan 0.000 0.459 19 K N 0.521 120.664 120.400 -0.428 0.000 2.574 19 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 19 K C 0.555 176.802 176.600 -0.588 0.000 1.035 19 K CA 0.007 55.916 56.287 -0.630 0.000 0.982 19 K CB -0.064 32.312 32.500 -0.207 0.000 0.795 19 K HN 0.063 nan 8.250 nan 0.000 0.491 20 L N 1.537 122.518 121.223 -0.402 0.000 2.391 20 L HA 0.052 4.392 4.340 -0.000 0.000 0.249 20 L C 0.052 176.805 176.870 -0.195 0.000 1.308 20 L CA 0.206 54.926 54.840 -0.200 0.000 1.209 20 L CB -0.424 41.585 42.059 -0.084 0.000 1.401 20 L HN 0.091 nan 8.230 nan 0.000 0.416 21 Y N 0.741 121.034 120.300 -0.013 0.000 2.373 21 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 21 Y C 2.181 178.054 175.900 -0.046 0.000 1.129 21 Y CA 1.025 59.115 58.100 -0.016 0.000 1.226 21 Y CB -0.236 38.227 38.460 0.005 0.000 1.000 21 Y HN 0.550 nan 8.280 nan 0.000 0.549 22 G N -0.680 108.167 108.800 0.078 0.000 3.279 22 G HA2 0.144 4.103 3.960 -0.000 0.000 0.230 22 G HA3 0.144 4.103 3.960 -0.000 0.000 0.230 22 G C 0.073 174.694 174.900 -0.464 0.000 1.230 22 G CA 0.245 45.320 45.100 -0.042 0.000 0.891 22 G HN 0.383 nan 8.290 nan 0.000 0.518 23 C N -2.068 116.953 119.300 -0.464 0.000 2.595 23 C HA 0.734 5.194 4.460 -0.000 0.000 0.338 23 C C 2.079 176.899 174.990 -0.283 0.000 1.219 23 C CA 0.156 58.782 59.018 -0.654 0.000 1.811 23 C CB 1.298 28.734 27.740 -0.507 0.000 2.313 23 C HN 0.305 nan 8.230 nan 0.000 0.499 24 T N -1.158 113.255 114.554 -0.235 0.000 2.822 24 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 24 T C 1.034 175.698 174.700 -0.060 0.000 1.064 24 T CA 2.269 64.305 62.100 -0.106 0.000 1.131 24 T CB -0.527 68.297 68.868 -0.073 0.000 0.858 24 T HN 0.847 nan 8.240 nan 0.000 0.483 25 E N 1.587 121.748 120.200 -0.065 0.000 2.072 25 E HA 0.032 4.382 4.350 -0.000 0.000 0.190 25 E C 2.157 178.747 176.600 -0.016 0.000 0.982 25 E CA 0.975 57.356 56.400 -0.032 0.000 0.803 25 E CB -0.126 29.556 29.700 -0.030 0.000 0.755 25 E HN 0.503 nan 8.360 nan 0.000 0.453 26 N N 0.214 118.901 118.700 -0.022 0.000 2.325 26 N HA 0.048 4.788 4.740 -0.000 0.000 0.182 26 N C -0.474 175.082 175.510 0.078 0.000 1.088 26 N CA 0.197 53.261 53.050 0.024 0.000 0.879 26 N CB 0.428 38.910 38.487 -0.008 0.000 0.983 26 N HN 0.029 nan 8.380 nan 0.000 0.471 27 K N 0.874 121.297 120.400 0.038 0.000 3.071 27 K HA -0.182 4.138 4.320 -0.000 0.000 0.262 27 K C -0.165 176.492 176.600 0.095 0.000 0.977 27 K CA 0.180 56.500 56.287 0.054 0.000 0.721 27 K CB -1.711 30.826 32.500 0.061 0.000 1.293 27 K HN 0.215 nan 8.250 nan 0.000 0.475 28 L N -2.719 118.577 121.223 0.121 0.000 4.367 28 L HA -0.335 4.005 4.340 -0.000 0.000 0.424 28 L C 1.113 178.024 176.870 0.069 0.000 1.152 28 L CA 0.907 55.818 54.840 0.119 0.000 0.974 28 L CB -1.890 40.209 42.059 0.066 0.000 2.012 28 L HN 0.835 nan 8.230 nan 0.000 0.922 29 G N 0.250 109.169 108.800 0.197 0.000 2.166 29 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 29 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 29 G C 0.594 175.547 174.900 0.089 0.000 0.986 29 G CA 0.742 45.937 45.100 0.158 0.000 0.683 29 G HN 0.893 nan 8.290 nan 0.000 0.527 30 I N -3.436 117.208 120.570 0.123 0.000 4.018 30 I HA 0.674 4.844 4.170 -0.000 0.000 0.337 30 I C 2.200 178.496 176.117 0.299 0.000 1.327 30 I CA 0.747 62.182 61.300 0.224 0.000 1.100 30 I CB -0.091 38.060 38.000 0.251 0.000 1.025 30 I HN 0.101 nan 8.210 nan 0.000 0.396 31 A N 2.496 125.433 122.820 0.195 0.000 1.892 31 A HA -0.236 4.083 4.320 -0.000 0.000 0.218 31 A C 1.986 179.660 177.584 0.150 0.000 1.188 31 A CA 2.415 54.545 52.037 0.154 0.000 0.631 31 A CB -0.816 18.247 19.000 0.103 0.000 0.822 31 A HN 0.533 nan 8.150 nan 0.000 0.447 32 N N -1.677 117.120 118.700 0.161 0.000 2.142 32 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 32 N C 1.344 176.958 175.510 0.173 0.000 1.023 32 N CA 1.447 54.578 53.050 0.136 0.000 0.852 32 N CB -0.590 37.974 38.487 0.128 0.000 0.998 32 N HN 0.784 nan 8.380 nan 0.000 0.424 33 W N 1.643 122.976 121.300 0.055 0.000 2.363 33 W HA -0.002 4.658 4.660 -0.000 0.000 0.296 33 W C 1.694 178.268 176.519 0.091 0.000 1.212 33 W CA 0.973 58.358 57.345 0.067 0.000 1.260 33 W CB -0.339 29.169 29.460 0.079 0.000 1.131 33 W HN -0.013 nan 8.180 nan 0.000 0.530 34 L N 0.583 121.851 121.223 0.074 0.000 2.007 34 L HA -0.187 4.152 4.340 -0.000 0.000 0.205 34 L C 2.703 179.503 176.870 -0.117 0.000 1.073 34 L CA 1.868 56.668 54.840 -0.067 0.000 0.744 34 L CB -1.144 40.996 42.059 0.135 0.000 0.898 34 L HN -0.142 nan 8.230 nan 0.000 0.435 35 K N 0.104 120.482 120.400 -0.037 0.000 2.127 35 K HA -0.252 4.067 4.320 -0.000 0.000 0.208 35 K C 1.424 177.945 176.600 -0.131 0.000 1.047 35 K CA 2.071 58.319 56.287 -0.065 0.000 0.927 35 K CB -0.042 32.448 32.500 -0.017 0.000 0.716 35 K HN 0.264 nan 8.250 nan 0.000 0.450 36 D N 0.070 120.392 120.400 -0.130 0.000 2.347 36 D HA -0.070 4.570 4.640 -0.000 0.000 0.215 36 D C 1.174 177.321 176.300 -0.255 0.000 0.976 36 D CA 0.822 54.734 54.000 -0.146 0.000 0.884 36 D CB 0.245 41.001 40.800 -0.074 0.000 0.915 36 D HN 0.357 nan 8.370 nan 0.000 0.526 37 Q N -1.163 118.390 119.800 -0.412 0.000 2.282 37 Q HA 0.282 4.622 4.340 -0.000 0.000 0.206 37 Q C 1.036 176.583 176.000 -0.756 0.000 0.878 37 Q CA 0.353 55.805 55.803 -0.585 0.000 0.944 37 Q CB 1.125 29.408 28.738 -0.759 0.000 1.100 37 Q HN 0.262 nan 8.270 nan 0.000 0.509 38 G N 0.147 108.601 108.800 -0.576 0.000 2.201 38 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.212 38 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.212 38 G C -0.062 174.589 174.900 -0.416 0.000 0.994 38 G CA -0.448 44.373 45.100 -0.464 0.000 0.644 38 G HN 0.332 nan 8.290 nan 0.000 0.508 39 H N 0.838 119.754 119.070 -0.258 0.000 2.615 39 H HA 0.449 5.005 4.556 -0.000 0.000 0.363 39 H C 0.141 175.407 175.328 -0.104 0.000 1.148 39 H CA 0.266 56.190 56.048 -0.207 0.000 1.401 39 H CB 1.149 30.733 29.762 -0.297 0.000 1.461 39 H HN 0.423 nan 8.280 nan 0.000 0.588 40 E N 2.508 122.755 120.200 0.078 0.000 2.035 40 E HA 0.164 4.514 4.350 -0.000 0.000 0.271 40 E C -0.975 175.648 176.600 0.037 0.000 0.953 40 E CA -0.807 55.616 56.400 0.038 0.000 0.777 40 E CB 0.283 30.001 29.700 0.029 0.000 1.104 40 E HN 0.212 nan 8.360 nan 0.000 0.408 41 L N 6.045 127.286 121.223 0.031 0.000 2.281 41 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 41 L C -1.127 175.726 176.870 -0.027 0.000 1.074 41 L CA -0.178 54.677 54.840 0.025 0.000 0.817 41 L CB 0.762 42.855 42.059 0.056 0.000 1.168 41 L HN 0.498 nan 8.230 nan 0.000 0.434 42 I N 4.504 125.032 120.570 -0.070 0.000 2.339 42 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 42 I C 0.015 176.093 176.117 -0.066 0.000 0.994 42 I CA 0.210 61.426 61.300 -0.140 0.000 1.191 42 I CB 1.697 39.472 38.000 -0.374 0.000 1.343 42 I HN 0.552 nan 8.210 nan 0.000 0.458 43 T N 4.309 118.840 114.554 -0.039 0.000 2.792 43 T HA 0.630 4.979 4.350 -0.000 0.000 0.280 43 T C -0.264 174.437 174.700 0.003 0.000 0.990 43 T CA -0.576 61.520 62.100 -0.007 0.000 0.960 43 T CB 1.365 70.234 68.868 0.001 0.000 0.939 43 T HN 0.617 nan 8.240 nan 0.000 0.439 44 T N 0.238 114.806 114.554 0.023 0.000 2.868 44 T HA 0.498 4.848 4.350 -0.000 0.000 0.306 44 T C 0.646 175.387 174.700 0.068 0.000 1.224 44 T CA -0.393 61.736 62.100 0.047 0.000 1.012 44 T CB 1.388 70.299 68.868 0.072 0.000 1.221 44 T HN 0.479 nan 8.240 nan 0.000 0.499 45 S N 1.173 116.923 115.700 0.083 0.000 2.523 45 S HA 0.237 4.707 4.470 -0.000 0.000 0.217 45 S C 0.170 174.907 174.600 0.228 0.000 0.996 45 S CA -0.177 58.112 58.200 0.148 0.000 0.921 45 S CB 0.071 63.297 63.200 0.045 0.000 0.829 45 S HN 0.653 nan 8.310 nan 0.000 0.495 46 D N 2.992 123.479 120.400 0.145 0.000 2.352 46 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 46 D C 0.782 177.151 176.300 0.116 0.000 1.224 46 D CA -0.027 54.047 54.000 0.124 0.000 0.879 46 D CB 0.649 41.507 40.800 0.096 0.000 1.057 46 D HN 0.664 nan 8.370 nan 0.000 0.491 47 E N 2.210 122.473 120.200 0.106 0.000 2.676 47 E HA 0.127 4.477 4.350 -0.000 0.000 0.225 47 E C -0.277 176.364 176.600 0.069 0.000 0.944 47 E CA -0.467 55.981 56.400 0.080 0.000 1.156 47 E CB 0.547 30.276 29.700 0.049 0.000 1.117 47 E HN 0.146 nan 8.360 nan 0.000 0.523 48 E N 0.142 120.381 120.200 0.064 0.000 2.313 48 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 48 E C -1.273 175.354 176.600 0.044 0.000 0.898 48 E CA -0.390 56.044 56.400 0.055 0.000 0.803 48 E CB 1.809 31.542 29.700 0.056 0.000 1.286 48 E HN 0.295 nan 8.360 nan 0.000 0.401 49 G N 1.640 110.461 108.800 0.035 0.000 2.752 49 G HA2 0.547 4.507 3.960 -0.000 0.000 0.298 49 G HA3 0.547 4.507 3.960 -0.000 0.000 0.298 49 G C -0.163 174.751 174.900 0.024 0.000 1.434 49 G CA 0.003 45.124 45.100 0.035 0.000 1.004 49 G HN 1.149 nan 8.290 nan 0.000 0.560 50 G N 1.246 110.060 108.800 0.023 0.000 2.846 50 G HA2 0.218 4.178 3.960 -0.000 0.000 0.254 50 G HA3 0.218 4.178 3.960 -0.000 0.000 0.254 50 G C 0.397 175.304 174.900 0.011 0.000 1.017 50 G CA 0.576 45.684 45.100 0.014 0.000 1.188 50 G HN 2.178 nan 8.290 nan 0.000 0.518 51 N N -1.971 116.735 118.700 0.009 0.000 2.997 51 N HA -0.188 4.552 4.740 -0.000 0.000 0.214 51 N C 1.002 176.522 175.510 0.016 0.000 0.904 51 N CA 2.253 55.306 53.050 0.004 0.000 1.021 51 N CB -1.483 37.006 38.487 0.003 0.000 1.040 51 N HN 2.122 nan 8.380 nan 0.000 0.573 52 S N -0.986 114.732 115.700 0.030 0.000 2.576 52 S HA 0.275 4.745 4.470 -0.000 0.000 0.272 52 S C 1.913 176.549 174.600 0.060 0.000 1.352 52 S CA 0.049 58.279 58.200 0.049 0.000 1.021 52 S CB 1.318 64.553 63.200 0.059 0.000 0.887 52 S HN 0.067 nan 8.310 nan 0.000 0.542 53 V N 2.477 122.446 119.914 0.092 0.000 2.490 53 V HA -0.145 3.974 4.120 -0.000 0.000 0.250 53 V C 2.332 178.554 176.094 0.214 0.000 1.061 53 V CA 1.751 64.144 62.300 0.155 0.000 1.064 53 V CB -1.189 30.738 31.823 0.174 0.000 0.670 53 V HN 0.859 nan 8.190 nan 0.000 0.461 54 L N 0.006 121.317 121.223 0.146 0.000 1.970 54 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 54 L C 2.456 179.394 176.870 0.113 0.000 1.071 54 L CA 2.241 57.161 54.840 0.135 0.000 0.751 54 L CB -0.582 41.536 42.059 0.100 0.000 0.889 54 L HN 0.372 nan 8.230 nan 0.000 0.432 55 D N -0.624 119.819 120.400 0.070 0.000 2.178 55 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 55 D C 2.192 178.491 176.300 -0.002 0.000 0.980 55 D CA 1.072 55.094 54.000 0.038 0.000 0.842 55 D CB -0.045 40.772 40.800 0.027 0.000 0.948 55 D HN 0.530 nan 8.370 nan 0.000 0.472 56 Q N -0.714 119.055 119.800 -0.051 0.000 2.291 56 Q HA -0.107 4.233 4.340 -0.000 0.000 0.205 56 Q C 1.128 176.927 176.000 -0.335 0.000 0.970 56 Q CA 0.954 56.628 55.803 -0.215 0.000 0.876 56 Q CB 0.050 28.593 28.738 -0.324 0.000 0.935 56 Q HN 0.526 nan 8.270 nan 0.000 0.455 57 H N -1.412 117.678 119.070 0.034 0.000 2.874 57 H HA 0.185 4.741 4.556 -0.000 0.000 0.264 57 H C 1.514 176.864 175.328 0.036 0.000 1.007 57 H CA -0.230 55.840 56.048 0.035 0.000 1.207 57 H CB 0.601 30.386 29.762 0.038 0.000 1.487 57 H HN 0.054 nan 8.280 nan 0.000 0.505 58 I N 1.492 122.135 120.570 0.122 0.000 2.118 58 I HA -0.209 3.960 4.170 -0.000 0.000 0.241 58 I C -0.704 175.453 176.117 0.067 0.000 1.070 58 I CA 1.335 62.685 61.300 0.084 0.000 1.327 58 I CB -0.691 37.346 38.000 0.063 0.000 1.034 58 I HN 0.202 nan 8.210 nan 0.000 0.405 59 P HA -0.167 nan 4.420 nan 0.000 0.218 59 P C 0.177 177.508 177.300 0.052 0.000 1.146 59 P CA 1.646 64.770 63.100 0.040 0.000 0.813 59 P CB -0.137 31.576 31.700 0.022 0.000 0.778 60 D N -2.738 117.704 120.400 0.069 0.000 2.500 60 D HA 0.229 4.869 4.640 -0.000 0.000 0.217 60 D C 0.376 176.731 176.300 0.091 0.000 1.159 60 D CA -0.262 53.785 54.000 0.078 0.000 0.828 60 D CB -0.256 40.595 40.800 0.084 0.000 1.039 60 D HN 0.008 nan 8.370 nan 0.000 0.512 61 A N 0.756 123.631 122.820 0.093 0.000 2.450 61 A HA 0.252 4.572 4.320 -0.000 0.000 0.255 61 A C 0.292 177.919 177.584 0.072 0.000 1.096 61 A CA -0.173 51.915 52.037 0.085 0.000 0.778 61 A CB 0.412 19.459 19.000 0.079 0.000 1.031 61 A HN -0.018 nan 8.150 nan 0.000 0.494 62 D N 0.937 121.385 120.400 0.081 0.000 2.216 62 D HA 0.182 4.822 4.640 -0.000 0.000 0.208 62 D C -0.033 176.267 176.300 0.000 0.000 0.960 62 D CA 1.056 55.109 54.000 0.089 0.000 0.861 62 D CB 0.134 41.038 40.800 0.174 0.000 0.985 62 D HN 0.571 nan 8.370 nan 0.000 0.493 63 I N 1.014 121.572 120.570 -0.021 0.000 2.569 63 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 63 I C -1.023 175.067 176.117 -0.045 0.000 1.088 63 I CA -0.671 60.564 61.300 -0.108 0.000 1.047 63 I CB 2.827 40.727 38.000 -0.167 0.000 1.237 63 I HN -0.223 nan 8.210 nan 0.000 0.421 64 I N 6.514 127.052 120.570 -0.054 0.000 2.378 64 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 64 I C -0.520 175.583 176.117 -0.023 0.000 0.992 64 I CA -0.567 60.724 61.300 -0.015 0.000 1.154 64 I CB 1.796 39.797 38.000 0.003 0.000 1.315 64 I HN 0.364 nan 8.210 nan 0.000 0.448 65 I N 5.788 126.359 120.570 0.002 0.000 2.354 65 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 65 I C 0.361 176.498 176.117 0.033 0.000 0.989 65 I CA -0.226 61.078 61.300 0.008 0.000 1.188 65 I CB 1.886 39.895 38.000 0.016 0.000 1.342 65 I HN 0.593 nan 8.210 nan 0.000 0.457 66 T N 0.881 115.461 114.554 0.044 0.000 2.916 66 T HA 0.594 4.944 4.350 -0.000 0.000 0.292 66 T C -0.471 174.246 174.700 0.028 0.000 1.064 66 T CA -0.756 61.382 62.100 0.063 0.000 1.011 66 T CB 2.174 71.144 68.868 0.171 0.000 1.152 66 T HN 0.491 nan 8.240 nan 0.000 0.510 67 T N 1.456 116.001 114.554 -0.014 0.000 2.886 67 T HA 0.562 4.911 4.350 -0.000 0.000 0.292 67 T C -2.073 172.526 174.700 -0.169 0.000 1.012 67 T CA -2.116 59.978 62.100 -0.009 0.000 0.982 67 T CB 1.697 70.660 68.868 0.159 0.000 1.018 67 T HN 0.467 nan 8.240 nan 0.000 0.451 68 P HA 0.096 nan 4.420 nan 0.000 0.233 68 P C 1.006 178.070 177.300 -0.392 0.000 1.167 68 P CA 0.601 63.432 63.100 -0.448 0.000 0.770 68 P CB -0.080 31.354 31.700 -0.444 0.000 0.837 69 F N -1.243 118.733 119.950 0.042 0.000 2.558 69 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 69 F C 1.303 177.209 175.800 0.177 0.000 1.119 69 F CA 0.788 58.861 58.000 0.122 0.000 1.451 69 F CB -0.513 38.547 39.000 0.099 0.000 1.091 69 F HN 0.044 nan 8.300 nan 0.000 0.563 70 H N 0.030 119.183 119.070 0.140 0.000 2.562 70 H HA 0.289 4.845 4.556 -0.000 0.000 0.230 70 H C -2.955 172.328 175.328 -0.075 0.000 1.415 70 H CA -2.312 53.788 56.048 0.087 0.000 1.454 70 H CB 0.618 30.518 29.762 0.230 0.000 1.716 70 H HN -0.216 nan 8.280 nan 0.000 0.538 71 P HA 0.473 nan 4.420 nan 0.000 0.290 71 P C -0.458 176.504 177.300 -0.563 0.000 1.275 71 P CA -0.064 62.700 63.100 -0.560 0.000 0.841 71 P CB 1.926 33.095 31.700 -0.886 0.000 1.042 72 A N 0.925 123.492 122.820 -0.422 0.000 4.943 72 A HA -0.097 4.223 4.320 -0.000 0.000 0.134 72 A C -0.896 176.629 177.584 -0.098 0.000 1.200 72 A CA -0.451 51.471 52.037 -0.192 0.000 1.061 72 A CB -2.909 15.996 19.000 -0.159 0.000 0.766 72 A HN 0.355 nan 8.150 nan 0.000 0.555 73 Y N 0.613 120.969 120.300 0.093 0.000 2.531 73 Y HA 0.370 4.920 4.550 -0.000 0.000 0.347 73 Y C 1.043 176.979 175.900 0.061 0.000 1.024 73 Y CA -0.438 57.721 58.100 0.097 0.000 1.306 73 Y CB 0.405 38.897 38.460 0.055 0.000 1.149 73 Y HN 0.389 nan 8.280 nan 0.000 0.527 74 I N 4.894 125.553 120.570 0.149 0.000 2.213 74 I HA 0.042 4.211 4.170 -0.000 0.000 0.295 74 I C 0.763 176.928 176.117 0.079 0.000 1.172 74 I CA -0.361 60.986 61.300 0.079 0.000 1.443 74 I CB -1.377 36.629 38.000 0.010 0.000 1.491 74 I HN 0.528 nan 8.210 nan 0.000 0.652 75 T N 0.493 115.096 114.554 0.082 0.000 2.816 75 T HA 0.209 4.559 4.350 -0.000 0.000 0.282 75 T C 1.336 176.018 174.700 -0.029 0.000 0.993 75 T CA -0.629 61.487 62.100 0.027 0.000 0.994 75 T CB 1.877 70.748 68.868 0.005 0.000 1.025 75 T HN 0.488 nan 8.240 nan 0.000 0.529 76 K N 0.330 120.638 120.400 -0.154 0.000 2.034 76 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 76 K C 1.952 178.416 176.600 -0.226 0.000 1.051 76 K CA 2.164 58.202 56.287 -0.416 0.000 0.931 76 K CB -0.334 31.747 32.500 -0.698 0.000 0.715 76 K HN 0.663 nan 8.250 nan 0.000 0.446 77 E N 0.305 120.420 120.200 -0.143 0.000 2.070 77 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 77 E C 2.147 178.736 176.600 -0.018 0.000 1.004 77 E CA 1.501 57.859 56.400 -0.070 0.000 0.805 77 E CB -0.111 29.559 29.700 -0.051 0.000 0.744 77 E HN 0.310 nan 8.360 nan 0.000 0.451 78 R N -0.165 120.335 120.500 0.001 0.000 2.075 78 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 78 R C 2.449 178.777 176.300 0.047 0.000 1.126 78 R CA 1.100 57.218 56.100 0.030 0.000 0.963 78 R CB -0.362 29.965 30.300 0.045 0.000 0.858 78 R HN 0.194 nan 8.270 nan 0.000 0.435 79 I N 1.077 121.686 120.570 0.065 0.000 2.226 79 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 79 I C 1.544 177.729 176.117 0.114 0.000 1.100 79 I CA 1.258 62.620 61.300 0.105 0.000 1.374 79 I CB -0.250 37.863 38.000 0.189 0.000 1.057 79 I HN 0.065 nan 8.210 nan 0.000 0.413 80 D N 0.872 121.345 120.400 0.123 0.000 2.182 80 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 80 D C 2.156 178.494 176.300 0.063 0.000 0.986 80 D CA 1.020 55.083 54.000 0.106 0.000 0.847 80 D CB -0.150 40.698 40.800 0.079 0.000 0.942 80 D HN 0.228 nan 8.370 nan 0.000 0.467 81 K N 0.613 121.041 120.400 0.048 0.000 2.103 81 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 81 K C 1.009 177.635 176.600 0.042 0.000 1.052 81 K CA 0.282 56.591 56.287 0.038 0.000 0.945 81 K CB -0.146 32.372 32.500 0.030 0.000 0.722 81 K HN -0.009 nan 8.250 nan 0.000 0.443 82 A N 2.935 125.784 122.820 0.048 0.000 3.030 82 A HA 0.030 4.350 4.320 -0.000 0.000 0.273 82 A C 0.920 178.531 177.584 0.045 0.000 1.841 82 A CA 0.099 52.164 52.037 0.047 0.000 1.479 82 A CB -0.383 18.645 19.000 0.045 0.000 1.048 82 A HN 0.133 nan 8.150 nan 0.000 0.612 83 K N 0.308 120.734 120.400 0.044 0.000 2.439 83 K HA -0.084 4.236 4.320 -0.000 0.000 0.197 83 K C 0.682 177.310 176.600 0.046 0.000 1.041 83 K CA 1.043 57.355 56.287 0.041 0.000 0.970 83 K CB 0.120 32.642 32.500 0.037 0.000 0.773 83 K HN 0.453 nan 8.250 nan 0.000 0.479 84 K N 0.309 120.742 120.400 0.054 0.000 2.355 84 K HA 0.098 4.417 4.320 -0.000 0.000 0.198 84 K C -0.004 176.638 176.600 0.071 0.000 1.039 84 K CA -0.230 56.098 56.287 0.068 0.000 1.075 84 K CB 0.284 32.831 32.500 0.079 0.000 0.870 84 K HN -0.084 nan 8.250 nan 0.000 0.540 85 L N 1.887 123.140 121.223 0.050 0.000 2.615 85 L HA -0.068 4.272 4.340 -0.000 0.000 0.271 85 L C 0.466 177.350 176.870 0.023 0.000 1.183 85 L CA 1.132 55.989 54.840 0.028 0.000 0.933 85 L CB 0.296 42.364 42.059 0.016 0.000 1.199 85 L HN 0.103 nan 8.230 nan 0.000 0.487 86 K N 4.093 124.502 120.400 0.015 0.000 2.399 86 K HA 0.286 4.606 4.320 -0.000 0.000 0.196 86 K C -0.774 175.782 176.600 -0.074 0.000 1.117 86 K CA -0.197 56.114 56.287 0.040 0.000 0.965 86 K CB 0.588 33.227 32.500 0.233 0.000 0.983 86 K HN 0.432 nan 8.250 nan 0.000 0.531 87 L N 0.894 121.994 121.223 -0.205 0.000 2.464 87 L HA 0.396 4.736 4.340 -0.000 0.000 0.266 87 L C -1.683 175.059 176.870 -0.213 0.000 0.965 87 L CA -0.772 53.893 54.840 -0.291 0.000 0.833 87 L CB 2.247 43.928 42.059 -0.630 0.000 1.296 87 L HN -0.289 nan 8.230 nan 0.000 0.405 88 V N 5.369 125.180 119.914 -0.172 0.000 2.448 88 V HA 0.627 4.747 4.120 -0.000 0.000 0.295 88 V C -0.475 175.537 176.094 -0.138 0.000 1.025 88 V CA -0.682 61.541 62.300 -0.129 0.000 0.859 88 V CB 1.787 33.548 31.823 -0.103 0.000 0.988 88 V HN 0.530 nan 8.190 nan 0.000 0.431 89 V N 5.281 125.131 119.914 -0.106 0.000 2.459 89 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 89 V C -0.136 175.933 176.094 -0.042 0.000 1.029 89 V CA -0.716 61.529 62.300 -0.092 0.000 0.874 89 V CB 1.984 33.754 31.823 -0.087 0.000 0.985 89 V HN 0.602 nan 8.190 nan 0.000 0.438 90 V N 3.855 123.743 119.914 -0.043 0.000 2.350 90 V HA 0.482 4.602 4.120 -0.000 0.000 0.276 90 V C 0.788 176.841 176.094 -0.068 0.000 1.028 90 V CA -0.452 61.837 62.300 -0.019 0.000 0.860 90 V CB 1.330 33.154 31.823 0.003 0.000 0.990 90 V HN 0.995 nan 8.190 nan 0.000 0.453 91 A N 4.691 127.468 122.820 -0.073 0.000 2.981 91 A HA 0.695 5.015 4.320 -0.000 0.000 0.280 91 A C 1.008 178.350 177.584 -0.403 0.000 1.743 91 A CA 0.715 52.687 52.037 -0.108 0.000 1.430 91 A CB -0.883 18.111 19.000 -0.010 0.000 1.085 91 A HN 1.627 nan 8.150 nan 0.000 0.597 92 G N -0.681 107.802 108.800 -0.529 0.000 2.236 92 G HA2 0.280 4.240 3.960 -0.000 0.000 0.231 92 G HA3 0.280 4.240 3.960 -0.000 0.000 0.231 92 G C -1.129 173.599 174.900 -0.286 0.000 1.334 92 G CA -0.139 44.416 45.100 -0.907 0.000 1.137 92 G HN 1.124 nan 8.290 nan 0.000 0.482 93 V N 0.540 120.343 119.914 -0.184 0.000 2.760 93 V HA 0.884 5.004 4.120 -0.000 0.000 0.309 93 V C 0.541 176.605 176.094 -0.050 0.000 1.077 93 V CA 0.679 62.949 62.300 -0.051 0.000 0.910 93 V CB 1.243 33.083 31.823 0.029 0.000 1.008 93 V HN 2.765 nan 8.190 nan 0.000 0.424 94 G N 2.724 111.521 108.800 -0.005 0.000 3.088 94 G HA2 0.222 4.182 3.960 -0.000 0.000 0.620 94 G HA3 0.222 4.182 3.960 -0.000 0.000 0.620 94 G C -0.215 174.746 174.900 0.101 0.000 1.375 94 G CA -0.035 45.079 45.100 0.024 0.000 1.016 94 G HN 1.451 nan 8.290 nan 0.000 0.590 95 S N 0.159 115.901 115.700 0.070 0.000 2.819 95 S HA 0.255 4.725 4.470 -0.000 0.000 0.249 95 S C 0.792 175.365 174.600 -0.046 0.000 1.030 95 S CA 0.665 58.845 58.200 -0.033 0.000 1.052 95 S CB 0.742 63.910 63.200 -0.054 0.000 1.017 95 S HN 0.362 nan 8.310 nan 0.000 0.576 96 D N 2.829 123.289 120.400 0.101 0.000 2.263 96 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 96 D C 1.728 178.126 176.300 0.164 0.000 0.971 96 D CA 1.122 55.190 54.000 0.114 0.000 0.867 96 D CB -0.292 40.586 40.800 0.130 0.000 0.929 96 D HN 0.810 nan 8.370 nan 0.000 0.492 97 H N -0.720 118.384 119.070 0.057 0.000 2.543 97 H HA 0.182 4.738 4.556 -0.000 0.000 0.269 97 H C 0.230 175.611 175.328 0.088 0.000 1.005 97 H CA 0.050 56.135 56.048 0.062 0.000 1.146 97 H CB -0.127 29.430 29.762 -0.341 0.000 1.353 97 H HN 0.108 nan 8.280 nan 0.000 0.595 98 I N 1.688 122.096 120.570 -0.271 0.000 2.436 98 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 98 I C -0.163 175.925 176.117 -0.048 0.000 1.010 98 I CA -0.854 60.325 61.300 -0.202 0.000 1.098 98 I CB 2.255 40.058 38.000 -0.329 0.000 1.266 98 I HN -0.105 nan 8.210 nan 0.000 0.434 99 D N 6.986 127.396 120.400 0.016 0.000 2.545 99 D HA 0.129 4.769 4.640 -0.000 0.000 0.227 99 D C 1.165 177.504 176.300 0.065 0.000 1.150 99 D CA 0.216 54.254 54.000 0.064 0.000 1.046 99 D CB 0.459 41.313 40.800 0.091 0.000 1.098 99 D HN 0.479 nan 8.370 nan 0.000 0.502 100 L N 1.216 122.456 121.223 0.029 0.000 2.083 100 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 100 L C 1.786 178.663 176.870 0.012 0.000 1.083 100 L CA 0.844 55.682 54.840 -0.004 0.000 0.752 100 L CB -0.139 41.950 42.059 0.051 0.000 0.899 100 L HN 0.149 nan 8.230 nan 0.000 0.433 101 D N -0.763 119.692 120.400 0.091 0.000 2.123 101 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 101 D C 1.919 178.271 176.300 0.087 0.000 0.992 101 D CA 1.345 55.410 54.000 0.108 0.000 0.833 101 D CB -0.214 40.655 40.800 0.115 0.000 0.954 101 D HN 0.316 nan 8.370 nan 0.000 0.455 102 Y N 1.114 121.405 120.300 -0.015 0.000 2.220 102 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 102 Y C 2.106 177.980 175.900 -0.043 0.000 1.129 102 Y CA 0.998 59.085 58.100 -0.022 0.000 1.161 102 Y CB -0.310 38.140 38.460 -0.016 0.000 0.997 102 Y HN -0.082 nan 8.280 nan 0.000 0.522 103 I N 0.219 120.706 120.570 -0.138 0.000 2.179 103 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 103 I C 2.225 178.183 176.117 -0.265 0.000 1.088 103 I CA 1.920 63.074 61.300 -0.243 0.000 1.357 103 I CB -0.554 37.355 38.000 -0.152 0.000 1.051 103 I HN 0.265 nan 8.210 nan 0.000 0.409 104 N N 0.833 119.391 118.700 -0.238 0.000 2.106 104 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 104 N C 1.922 177.340 175.510 -0.153 0.000 1.029 104 N CA 1.522 54.423 53.050 -0.248 0.000 0.848 104 N CB -0.023 38.265 38.487 -0.331 0.000 1.007 104 N HN 0.286 nan 8.380 nan 0.000 0.423 105 Q N -1.021 118.711 119.800 -0.114 0.000 2.119 105 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 105 Q C 1.918 177.840 176.000 -0.130 0.000 0.972 105 Q CA 1.844 57.600 55.803 -0.078 0.000 0.847 105 Q CB -0.105 28.623 28.738 -0.016 0.000 0.903 105 Q HN 0.643 nan 8.270 nan 0.000 0.433 106 T N -3.512 110.889 114.554 -0.255 0.000 2.857 106 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 106 T C 1.545 176.132 174.700 -0.188 0.000 1.048 106 T CA 0.832 62.770 62.100 -0.271 0.000 1.139 106 T CB -0.147 68.417 68.868 -0.507 0.000 0.874 106 T HN 0.444 nan 8.240 nan 0.000 0.455 107 G N 1.551 110.236 108.800 -0.191 0.000 2.132 107 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.234 107 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.234 107 G C -0.046 174.771 174.900 -0.138 0.000 0.989 107 G CA -0.042 44.972 45.100 -0.143 0.000 0.676 107 G HN 0.689 nan 8.290 nan 0.000 0.522 108 K N 0.062 120.358 120.400 -0.173 0.000 2.485 108 K HA 0.173 4.493 4.320 -0.000 0.000 0.277 108 K C 0.670 177.205 176.600 -0.108 0.000 0.990 108 K CA 0.336 56.544 56.287 -0.132 0.000 0.994 108 K CB 0.438 32.850 32.500 -0.147 0.000 0.906 108 K HN 0.148 nan 8.250 nan 0.000 0.488 109 K N 3.161 123.517 120.400 -0.075 0.000 2.737 109 K HA 0.161 4.481 4.320 -0.000 0.000 0.251 109 K C -0.571 175.996 176.600 -0.056 0.000 1.280 109 K CA 0.132 56.380 56.287 -0.066 0.000 1.219 109 K CB -0.240 32.232 32.500 -0.047 0.000 1.587 109 K HN 0.348 nan 8.250 nan 0.000 0.279 110 I N 0.428 120.950 120.570 -0.079 0.000 2.378 110 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 110 I C -0.028 176.027 176.117 -0.104 0.000 0.992 110 I CA -0.618 60.636 61.300 -0.076 0.000 1.154 110 I CB 2.047 40.001 38.000 -0.076 0.000 1.315 110 I HN 0.081 nan 8.210 nan 0.000 0.448 111 S N 4.682 120.323 115.700 -0.098 0.000 2.562 111 S HA 0.539 5.009 4.470 -0.000 0.000 0.275 111 S C -0.279 174.220 174.600 -0.169 0.000 1.281 111 S CA -0.583 57.537 58.200 -0.133 0.000 1.045 111 S CB 1.564 64.699 63.200 -0.109 0.000 0.962 111 S HN 0.328 nan 8.310 nan 0.000 0.503 112 V N 4.519 124.324 119.914 -0.183 0.000 2.443 112 V HA 0.480 4.600 4.120 -0.000 0.000 0.293 112 V C -0.766 175.213 176.094 -0.192 0.000 1.021 112 V CA -0.551 61.645 62.300 -0.173 0.000 0.848 112 V CB 1.056 32.793 31.823 -0.143 0.000 0.998 112 V HN 0.650 nan 8.190 nan 0.000 0.424 113 L N 4.972 126.069 121.223 -0.210 0.000 2.362 113 L HA 0.733 5.073 4.340 -0.000 0.000 0.271 113 L C 0.004 176.797 176.870 -0.129 0.000 1.002 113 L CA -0.110 54.600 54.840 -0.216 0.000 0.818 113 L CB 2.117 43.967 42.059 -0.347 0.000 1.298 113 L HN 0.859 nan 8.230 nan 0.000 0.420 114 E N 1.133 121.279 120.200 -0.090 0.000 2.410 114 E HA 0.558 4.908 4.350 -0.000 0.000 0.269 114 E C -1.483 175.102 176.600 -0.026 0.000 0.937 114 E CA -0.968 55.400 56.400 -0.054 0.000 0.793 114 E CB 2.114 31.792 29.700 -0.037 0.000 1.314 114 E HN 0.168 nan 8.360 nan 0.000 0.447 115 V N 2.255 122.165 119.914 -0.006 0.000 2.221 115 V HA 0.142 4.262 4.120 -0.000 0.000 0.258 115 V C -0.114 176.026 176.094 0.077 0.000 1.179 115 V CA -0.358 61.972 62.300 0.049 0.000 1.022 115 V CB -0.114 31.774 31.823 0.110 0.000 1.228 115 V HN 0.655 nan 8.190 nan 0.000 0.487 116 T N 2.854 117.441 114.554 0.055 0.000 2.930 116 T HA 0.418 4.767 4.350 -0.000 0.000 0.306 116 T C 1.411 176.159 174.700 0.079 0.000 1.045 116 T CA 1.015 63.152 62.100 0.061 0.000 1.134 116 T CB 1.058 69.951 68.868 0.042 0.000 0.961 116 T HN 1.101 nan 8.240 nan 0.000 0.545 117 G N 1.847 110.700 108.800 0.088 0.000 2.241 117 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.244 117 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.244 117 G C 1.239 176.205 174.900 0.110 0.000 0.998 117 G CA 0.758 45.910 45.100 0.086 0.000 0.621 117 G HN 1.004 nan 8.290 nan 0.000 0.519 118 S N 1.065 116.867 115.700 0.170 0.000 2.489 118 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 118 S C 1.819 176.545 174.600 0.210 0.000 0.995 118 S CA 1.427 59.748 58.200 0.202 0.000 0.934 118 S CB -0.229 63.187 63.200 0.361 0.000 0.771 118 S HN 0.934 nan 8.310 nan 0.000 0.522 119 N N 1.764 120.625 118.700 0.269 0.000 2.294 119 N HA -0.002 4.738 4.740 -0.000 0.000 0.186 119 N C 1.668 177.263 175.510 0.141 0.000 1.107 119 N CA 0.986 54.193 53.050 0.261 0.000 0.884 119 N CB -0.400 38.285 38.487 0.330 0.000 1.030 119 N HN 0.502 nan 8.380 nan 0.000 0.482 120 V N -1.052 118.929 119.914 0.111 0.000 2.379 120 V HA -0.047 4.072 4.120 -0.000 0.000 0.245 120 V C 2.239 178.370 176.094 0.062 0.000 1.044 120 V CA 0.907 63.258 62.300 0.085 0.000 1.036 120 V CB -0.978 30.893 31.823 0.080 0.000 0.664 120 V HN 0.022 nan 8.190 nan 0.000 0.453 121 V N 1.229 121.171 119.914 0.048 0.000 2.343 121 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 121 V C 2.897 179.005 176.094 0.023 0.000 1.051 121 V CA 2.408 64.725 62.300 0.029 0.000 1.036 121 V CB -0.837 30.997 31.823 0.019 0.000 0.654 121 V HN 0.636 nan 8.190 nan 0.000 0.451 122 S N 0.017 115.729 115.700 0.021 0.000 2.359 122 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 122 S C 2.003 176.618 174.600 0.024 0.000 1.035 122 S CA 1.641 59.846 58.200 0.009 0.000 1.018 122 S CB -0.267 62.930 63.200 -0.006 0.000 0.876 122 S HN 0.400 nan 8.310 nan 0.000 0.448 123 V N 2.067 122.005 119.914 0.041 0.000 2.307 123 V HA -0.140 3.979 4.120 -0.000 0.000 0.245 123 V C 2.702 178.829 176.094 0.054 0.000 1.045 123 V CA 1.546 63.873 62.300 0.045 0.000 1.024 123 V CB -1.340 30.520 31.823 0.061 0.000 0.651 123 V HN 0.530 nan 8.190 nan 0.000 0.449 124 A N -0.255 122.588 122.820 0.039 0.000 1.917 124 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 124 A C 2.173 179.757 177.584 0.001 0.000 1.182 124 A CA 2.231 54.278 52.037 0.017 0.000 0.633 124 A CB -0.553 18.454 19.000 0.012 0.000 0.819 124 A HN 0.648 nan 8.150 nan 0.000 0.448 125 E N -1.751 118.454 120.200 0.008 0.000 2.077 125 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 125 E C 1.963 178.543 176.600 -0.034 0.000 0.989 125 E CA 1.414 57.806 56.400 -0.015 0.000 0.800 125 E CB -0.270 29.426 29.700 -0.006 0.000 0.746 125 E HN 0.885 nan 8.360 nan 0.000 0.452 126 H N 0.266 119.282 119.070 -0.090 0.000 2.353 126 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 126 H C 2.029 177.292 175.328 -0.109 0.000 1.090 126 H CA 1.626 57.607 56.048 -0.112 0.000 1.327 126 H CB 0.029 29.706 29.762 -0.141 0.000 1.383 126 H HN -0.073 nan 8.280 nan 0.000 0.508 127 V N -0.333 119.602 119.914 0.034 0.000 2.231 127 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 127 V C 2.480 178.493 176.094 -0.136 0.000 1.054 127 V CA 1.861 64.133 62.300 -0.045 0.000 1.015 127 V CB -0.770 31.035 31.823 -0.031 0.000 0.638 127 V HN 0.329 nan 8.190 nan 0.000 0.444 128 V N -0.360 119.464 119.914 -0.150 0.000 2.407 128 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 128 V C 2.321 178.256 176.094 -0.266 0.000 1.055 128 V CA 2.478 64.641 62.300 -0.229 0.000 1.049 128 V CB -0.626 31.069 31.823 -0.213 0.000 0.662 128 V HN 0.598 nan 8.190 nan 0.000 0.455 129 M N -0.014 119.442 119.600 -0.240 0.000 2.086 129 M HA -0.202 4.277 4.480 -0.000 0.000 0.261 129 M C 2.182 178.310 176.300 -0.288 0.000 1.067 129 M CA 2.438 57.575 55.300 -0.271 0.000 1.116 129 M CB -0.399 32.020 32.600 -0.301 0.000 1.348 129 M HN 0.383 nan 8.290 nan 0.000 0.407 130 T N 1.288 115.668 114.554 -0.290 0.000 2.746 130 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 130 T C 1.774 176.342 174.700 -0.220 0.000 1.039 130 T CA 1.890 63.848 62.100 -0.236 0.000 1.142 130 T CB -0.261 68.491 68.868 -0.192 0.000 0.866 130 T HN 0.463 nan 8.240 nan 0.000 0.444 131 M N 0.499 119.954 119.600 -0.241 0.000 2.082 131 M HA -0.078 4.402 4.480 -0.000 0.000 0.258 131 M C 2.259 178.350 176.300 -0.348 0.000 1.069 131 M CA 1.732 56.859 55.300 -0.287 0.000 1.102 131 M CB -0.698 31.725 32.600 -0.296 0.000 1.336 131 M HN 0.196 nan 8.290 nan 0.000 0.404 132 L N -0.774 120.253 121.223 -0.326 0.000 2.046 132 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 132 L C 2.445 179.183 176.870 -0.220 0.000 1.077 132 L CA 0.865 55.529 54.840 -0.293 0.000 0.747 132 L CB -0.651 41.249 42.059 -0.265 0.000 0.896 132 L HN 0.124 nan 8.230 nan 0.000 0.432 133 V N -0.012 119.786 119.914 -0.194 0.000 2.343 133 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 133 V C 2.329 178.407 176.094 -0.028 0.000 1.051 133 V CA 1.677 63.928 62.300 -0.081 0.000 1.036 133 V CB -0.254 31.516 31.823 -0.088 0.000 0.654 133 V HN 0.320 nan 8.190 nan 0.000 0.451 134 L N -0.828 120.324 121.223 -0.119 0.000 2.023 134 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 134 L C 2.471 179.189 176.870 -0.253 0.000 1.073 134 L CA 1.105 55.892 54.840 -0.089 0.000 0.745 134 L CB -0.644 41.372 42.059 -0.073 0.000 0.900 134 L HN 0.164 nan 8.230 nan 0.000 0.435 135 V N 0.014 119.529 119.914 -0.665 0.000 2.332 135 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 135 V C 2.333 178.310 176.094 -0.194 0.000 1.055 135 V CA 1.772 63.534 62.300 -0.897 0.000 1.038 135 V CB -0.663 30.537 31.823 -1.038 0.000 0.651 135 V HN 0.426 nan 8.190 nan 0.000 0.450 136 R N -0.104 120.328 120.500 -0.113 0.000 2.313 136 R HA 0.090 4.430 4.340 -0.000 0.000 0.199 136 R C 0.813 177.160 176.300 0.078 0.000 0.958 136 R CA 0.352 56.458 56.100 0.010 0.000 1.047 136 R CB -0.261 30.038 30.300 -0.002 0.000 0.955 136 R HN 0.516 nan 8.270 nan 0.000 0.481 137 N N -0.185 118.579 118.700 0.106 0.000 2.758 137 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 137 N C 0.192 175.770 175.510 0.113 0.000 1.076 137 N CA 0.241 53.370 53.050 0.131 0.000 0.696 137 N CB -1.507 37.051 38.487 0.118 0.000 0.979 137 N HN 0.340 nan 8.380 nan 0.000 0.550 138 F N -0.293 119.657 119.950 0.001 0.000 2.186 138 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 138 F C 1.798 177.621 175.800 0.038 0.000 1.090 138 F CA 1.532 59.533 58.000 0.002 0.000 1.307 138 F CB -0.068 38.916 39.000 -0.025 0.000 1.019 138 F HN 0.069 nan 8.300 nan 0.000 0.489 139 V N 2.492 122.422 119.914 0.027 0.000 2.261 139 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 139 V C -0.316 175.695 176.094 -0.138 0.000 1.047 139 V CA 2.388 64.654 62.300 -0.057 0.000 1.015 139 V CB -1.998 29.889 31.823 0.106 0.000 0.642 139 V HN 0.265 nan 8.190 nan 0.000 0.446 140 P HA -0.078 nan 4.420 nan 0.000 0.223 140 P C 1.442 178.652 177.300 -0.149 0.000 1.151 140 P CA 1.780 64.834 63.100 -0.077 0.000 0.787 140 P CB 0.048 31.733 31.700 -0.025 0.000 0.788 141 A N 0.134 122.830 122.820 -0.207 0.000 1.873 141 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 141 A C 2.358 179.762 177.584 -0.300 0.000 1.186 141 A CA 1.787 53.673 52.037 -0.251 0.000 0.616 141 A CB -1.899 16.967 19.000 -0.224 0.000 0.823 141 A HN 0.184 nan 8.150 nan 0.000 0.442 142 H N -0.246 118.475 119.070 -0.582 0.000 2.353 142 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 142 H C 1.965 177.145 175.328 -0.247 0.000 1.090 142 H CA 1.992 57.745 56.048 -0.491 0.000 1.327 142 H CB -0.087 29.212 29.762 -0.771 0.000 1.383 142 H HN 0.457 nan 8.280 nan 0.000 0.508 143 E N 0.656 120.689 120.200 -0.278 0.000 2.097 143 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 143 E C 2.216 178.699 176.600 -0.195 0.000 1.000 143 E CA 1.656 57.927 56.400 -0.215 0.000 0.804 143 E CB -0.227 29.410 29.700 -0.105 0.000 0.740 143 E HN 0.674 nan 8.360 nan 0.000 0.454 144 Q N -0.556 119.140 119.800 -0.174 0.000 2.096 144 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 144 Q C 2.089 178.038 176.000 -0.086 0.000 0.982 144 Q CA 1.429 57.161 55.803 -0.118 0.000 0.850 144 Q CB -0.155 28.495 28.738 -0.145 0.000 0.901 144 Q HN 0.366 nan 8.270 nan 0.000 0.422 145 I N 1.041 121.522 120.570 -0.149 0.000 2.142 145 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 145 I C 2.494 178.591 176.117 -0.033 0.000 1.078 145 I CA 1.308 62.570 61.300 -0.064 0.000 1.343 145 I CB -1.183 36.761 38.000 -0.093 0.000 1.046 145 I HN 0.321 nan 8.210 nan 0.000 0.405 146 I N -1.975 118.468 120.570 -0.211 0.000 2.676 146 I HA -0.139 4.031 4.170 -0.000 0.000 0.259 146 I C 1.838 177.847 176.117 -0.180 0.000 1.194 146 I CA 1.458 62.660 61.300 -0.164 0.000 1.473 146 I CB -0.646 37.205 38.000 -0.249 0.000 1.096 146 I HN 0.209 nan 8.210 nan 0.000 0.443 147 N N 0.337 118.951 118.700 -0.143 0.000 2.383 147 N HA -0.114 4.626 4.740 -0.000 0.000 0.192 147 N C -0.253 175.236 175.510 -0.036 0.000 1.141 147 N CA 0.065 53.027 53.050 -0.147 0.000 0.851 147 N CB 0.047 38.483 38.487 -0.086 0.000 0.976 147 N HN 0.425 nan 8.380 nan 0.000 0.465 148 H N -0.260 118.804 119.070 -0.011 0.000 2.936 148 H HA -0.138 4.418 4.556 -0.000 0.000 0.276 148 H C -0.850 174.508 175.328 0.050 0.000 1.216 148 H CA 0.721 56.782 56.048 0.023 0.000 1.132 148 H CB -1.916 27.855 29.762 0.015 0.000 1.303 148 H HN 0.448 nan 8.280 nan 0.000 0.370 149 D N -0.914 119.584 120.400 0.163 0.000 2.442 149 D HA 0.430 5.070 4.640 -0.000 0.000 0.254 149 D C 0.302 176.742 176.300 0.233 0.000 1.069 149 D CA -0.283 53.804 54.000 0.144 0.000 1.017 149 D CB 1.584 42.423 40.800 0.065 0.000 1.172 149 D HN 0.241 nan 8.370 nan 0.000 0.561 150 W N 1.575 122.869 121.300 -0.009 0.000 3.028 150 W HA 0.201 4.861 4.660 -0.000 0.000 0.315 150 W C -1.717 174.791 176.519 -0.019 0.000 1.062 150 W CA -0.293 57.043 57.345 -0.016 0.000 1.226 150 W CB 0.686 30.137 29.460 -0.015 0.000 1.100 150 W HN 0.422 nan 8.180 nan 0.000 0.364 151 E N 4.530 124.697 120.200 -0.055 0.000 2.528 151 E HA 0.220 4.570 4.350 -0.000 0.000 0.277 151 E C -0.078 176.434 176.600 -0.147 0.000 0.980 151 E CA -0.139 56.250 56.400 -0.018 0.000 0.796 151 E CB 1.681 31.382 29.700 0.002 0.000 1.427 151 E HN 0.172 nan 8.360 nan 0.000 0.394 152 V N 3.157 122.983 119.914 -0.147 0.000 2.407 152 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 152 V C 2.257 178.279 176.094 -0.121 0.000 1.055 152 V CA 2.370 64.561 62.300 -0.181 0.000 1.049 152 V CB -0.507 31.253 31.823 -0.104 0.000 0.662 152 V HN 0.730 nan 8.190 nan 0.000 0.455 153 A N 0.037 122.812 122.820 -0.076 0.000 1.972 153 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 153 A C 2.374 179.885 177.584 -0.121 0.000 1.169 153 A CA 1.962 53.951 52.037 -0.081 0.000 0.635 153 A CB -0.652 18.316 19.000 -0.053 0.000 0.810 153 A HN 0.587 nan 8.150 nan 0.000 0.446 154 A N -0.541 122.204 122.820 -0.124 0.000 2.067 154 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 154 A C 1.893 179.372 177.584 -0.174 0.000 1.158 154 A CA 1.436 53.379 52.037 -0.156 0.000 0.661 154 A CB -0.313 18.618 19.000 -0.115 0.000 0.801 154 A HN 0.437 nan 8.150 nan 0.000 0.452 155 I N -0.858 119.621 120.570 -0.152 0.000 2.556 155 I HA 0.002 4.172 4.170 -0.000 0.000 0.251 155 I C 2.824 178.873 176.117 -0.114 0.000 1.105 155 I CA 1.193 62.416 61.300 -0.130 0.000 1.436 155 I CB -1.665 36.248 38.000 -0.145 0.000 1.139 155 I HN 0.289 nan 8.210 nan 0.000 0.438 156 A N 2.353 125.100 122.820 -0.121 0.000 1.978 156 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 156 A C 2.231 179.734 177.584 -0.135 0.000 1.170 156 A CA 1.986 53.955 52.037 -0.114 0.000 0.636 156 A CB -0.747 18.194 19.000 -0.098 0.000 0.810 156 A HN 0.611 nan 8.150 nan 0.000 0.448 157 K N -1.442 118.867 120.400 -0.151 0.000 2.360 157 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 157 K C 0.172 176.716 176.600 -0.093 0.000 1.046 157 K CA 1.698 57.891 56.287 -0.156 0.000 0.945 157 K CB -0.074 32.282 32.500 -0.241 0.000 0.750 157 K HN 0.217 nan 8.250 nan 0.000 0.464 158 D N 0.233 120.607 120.400 -0.043 0.000 2.692 158 D HA 0.290 4.930 4.640 -0.000 0.000 0.290 158 D C -1.412 175.022 176.300 0.224 0.000 1.455 158 D CA -0.284 53.831 54.000 0.193 0.000 0.796 158 D CB 1.066 42.070 40.800 0.341 0.000 1.131 158 D HN 0.362 nan 8.370 nan 0.000 0.467 159 A N 0.510 123.316 122.820 -0.024 0.000 2.288 159 A HA 0.662 4.982 4.320 -0.000 0.000 0.320 159 A C -1.107 176.379 177.584 -0.164 0.000 1.217 159 A CA -0.326 51.721 52.037 0.016 0.000 0.840 159 A CB 0.477 19.462 19.000 -0.026 0.000 1.179 159 A HN 0.179 nan 8.150 nan 0.000 0.504 160 Y N 0.403 120.747 120.300 0.073 0.000 2.602 160 Y HA 0.419 4.969 4.550 -0.000 0.000 0.342 160 Y C -0.193 175.691 175.900 -0.026 0.000 1.029 160 Y CA -0.846 57.291 58.100 0.062 0.000 1.080 160 Y CB 1.736 40.289 38.460 0.156 0.000 1.284 160 Y HN 0.598 nan 8.280 nan 0.000 0.485 161 D N 1.030 121.520 120.400 0.150 0.000 2.264 161 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 161 D C 0.762 177.075 176.300 0.021 0.000 1.070 161 D CA -0.059 53.980 54.000 0.066 0.000 0.912 161 D CB 1.734 42.576 40.800 0.071 0.000 1.193 161 D HN 0.592 nan 8.370 nan 0.000 0.427 162 I N 0.366 120.912 120.570 -0.041 0.000 2.676 162 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 162 I C 0.990 177.111 176.117 0.007 0.000 1.194 162 I CA 0.423 61.666 61.300 -0.094 0.000 1.473 162 I CB 0.203 38.079 38.000 -0.206 0.000 1.096 162 I HN 0.400 nan 8.210 nan 0.000 0.443 163 E N 0.631 120.872 120.200 0.070 0.000 2.502 163 E HA -0.026 4.324 4.350 -0.000 0.000 0.261 163 E C 1.101 177.741 176.600 0.067 0.000 0.974 163 E CA 0.915 57.363 56.400 0.080 0.000 0.936 163 E CB 0.185 29.931 29.700 0.077 0.000 0.926 163 E HN 0.505 nan 8.360 nan 0.000 0.459 164 G N 3.528 112.364 108.800 0.061 0.000 2.184 164 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 164 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 164 G C -0.078 174.860 174.900 0.063 0.000 0.975 164 G CA 0.457 45.593 45.100 0.060 0.000 0.642 164 G HN 0.450 nan 8.290 nan 0.000 0.536 165 K N 1.098 121.531 120.400 0.056 0.000 2.144 165 K HA 0.531 4.851 4.320 -0.000 0.000 0.270 165 K C 0.349 176.974 176.600 0.042 0.000 1.005 165 K CA -0.160 56.163 56.287 0.060 0.000 0.932 165 K CB 0.865 33.397 32.500 0.052 0.000 1.021 165 K HN 0.121 nan 8.250 nan 0.000 0.462 166 T N 3.068 117.648 114.554 0.044 0.000 2.780 166 T HA 0.445 4.795 4.350 -0.000 0.000 0.294 166 T C 0.508 175.221 174.700 0.023 0.000 0.949 166 T CA -0.366 61.749 62.100 0.026 0.000 1.074 166 T CB 0.152 69.029 68.868 0.014 0.000 0.910 166 T HN 0.281 nan 8.240 nan 0.000 0.501 167 I N 2.585 123.162 120.570 0.011 0.000 2.433 167 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 167 I C -0.008 176.113 176.117 0.007 0.000 1.001 167 I CA -1.062 60.239 61.300 0.002 0.000 1.119 167 I CB 1.701 39.687 38.000 -0.024 0.000 1.289 167 I HN 0.617 nan 8.210 nan 0.000 0.438 168 A N 3.745 126.567 122.820 0.002 0.000 2.355 168 A HA 0.726 5.046 4.320 -0.000 0.000 0.317 168 A C -0.477 177.124 177.584 0.030 0.000 1.094 168 A CA -0.555 51.490 52.037 0.012 0.000 0.764 168 A CB 1.774 20.752 19.000 -0.037 0.000 1.230 168 A HN 0.600 nan 8.150 nan 0.000 0.448 169 T N 2.381 116.981 114.554 0.078 0.000 2.794 169 T HA 0.580 4.930 4.350 -0.000 0.000 0.280 169 T C -0.515 174.270 174.700 0.141 0.000 0.987 169 T CA -0.312 61.844 62.100 0.093 0.000 0.993 169 T CB -0.061 68.860 68.868 0.088 0.000 0.939 169 T HN 0.414 nan 8.240 nan 0.000 0.449 170 I N 4.746 125.391 120.570 0.126 0.000 2.291 170 I HA 0.515 4.684 4.170 -0.000 0.000 0.292 170 I C 0.858 177.091 176.117 0.193 0.000 1.064 170 I CA 0.048 61.457 61.300 0.181 0.000 1.269 170 I CB 0.579 38.647 38.000 0.114 0.000 1.418 170 I HN 0.987 nan 8.210 nan 0.000 0.485 171 G N 4.700 113.638 108.800 0.231 0.000 3.209 171 G HA2 0.118 4.078 3.960 -0.000 0.000 0.686 171 G HA3 0.118 4.078 3.960 -0.000 0.000 0.686 171 G C -0.346 174.645 174.900 0.152 0.000 1.065 171 G CA -0.337 44.875 45.100 0.186 0.000 0.812 171 G HN 0.941 nan 8.290 nan 0.000 0.573 172 A N 1.976 124.870 122.820 0.124 0.000 2.812 172 A HA 0.811 5.131 4.320 -0.000 0.000 0.294 172 A C 1.357 178.966 177.584 0.041 0.000 1.014 172 A CA 1.061 53.132 52.037 0.056 0.000 1.024 172 A CB -0.122 18.801 19.000 -0.128 0.000 1.162 172 A HN 2.214 nan 8.150 nan 0.000 0.511 173 G N -0.133 108.708 108.800 0.070 0.000 2.447 173 G HA2 0.197 4.157 3.960 -0.000 0.000 0.269 173 G HA3 0.197 4.157 3.960 -0.000 0.000 0.269 173 G C 0.933 175.877 174.900 0.074 0.000 1.455 173 G CA -0.344 44.789 45.100 0.056 0.000 1.061 173 G HN 0.483 nan 8.290 nan 0.000 0.545 174 R N -1.222 119.316 120.500 0.064 0.000 2.091 174 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 174 R C 2.546 178.906 176.300 0.100 0.000 1.136 174 R CA 1.434 57.581 56.100 0.078 0.000 0.959 174 R CB -0.354 29.984 30.300 0.063 0.000 0.856 174 R HN 0.475 nan 8.270 nan 0.000 0.437 175 I N -0.557 120.064 120.570 0.085 0.000 2.277 175 I HA -0.088 4.082 4.170 -0.000 0.000 0.243 175 I C 2.563 178.720 176.117 0.066 0.000 1.094 175 I CA 1.157 62.501 61.300 0.073 0.000 1.393 175 I CB -0.523 37.517 38.000 0.067 0.000 1.078 175 I HN 0.274 nan 8.210 nan 0.000 0.417 176 G N 0.034 108.880 108.800 0.078 0.000 2.440 176 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 176 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 176 G C 1.664 176.598 174.900 0.056 0.000 1.154 176 G CA 0.720 45.859 45.100 0.066 0.000 0.767 176 G HN 0.322 nan 8.290 nan 0.000 0.552 177 Y N 1.291 121.567 120.300 -0.039 0.000 2.242 177 Y HA 0.005 4.555 4.550 -0.000 0.000 0.291 177 Y C 2.981 178.860 175.900 -0.034 0.000 1.137 177 Y CA 1.475 59.538 58.100 -0.062 0.000 1.181 177 Y CB -0.042 38.373 38.460 -0.074 0.000 0.989 177 Y HN 0.080 nan 8.280 nan 0.000 0.527 178 R N -1.071 119.440 120.500 0.019 0.000 2.148 178 R HA -0.090 4.249 4.340 -0.000 0.000 0.223 178 R C 2.109 178.359 176.300 -0.084 0.000 1.088 178 R CA 1.177 57.255 56.100 -0.037 0.000 0.985 178 R CB -0.343 29.978 30.300 0.034 0.000 0.880 178 R HN 0.236 nan 8.270 nan 0.000 0.451 179 V N 1.446 121.318 119.914 -0.069 0.000 2.307 179 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 179 V C 2.279 178.301 176.094 -0.119 0.000 1.045 179 V CA 1.617 63.870 62.300 -0.078 0.000 1.024 179 V CB -0.414 31.377 31.823 -0.053 0.000 0.651 179 V HN 0.275 nan 8.190 nan 0.000 0.449 180 L N -0.241 120.881 121.223 -0.169 0.000 2.013 180 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 180 L C 2.601 179.334 176.870 -0.227 0.000 1.073 180 L CA 1.936 56.654 54.840 -0.202 0.000 0.753 180 L CB -0.832 41.069 42.059 -0.263 0.000 0.890 180 L HN 0.407 nan 8.230 nan 0.000 0.432 181 E N 0.105 120.104 120.200 -0.335 0.000 2.085 181 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 181 E C 2.336 178.883 176.600 -0.089 0.000 0.994 181 E CA 1.237 57.492 56.400 -0.242 0.000 0.801 181 E CB -0.106 29.451 29.700 -0.239 0.000 0.743 181 E HN 0.439 nan 8.360 nan 0.000 0.453 182 R N 0.220 120.686 120.500 -0.057 0.000 2.148 182 R HA -0.046 4.294 4.340 -0.000 0.000 0.227 182 R C 2.238 178.623 176.300 0.141 0.000 1.103 182 R CA 0.678 56.799 56.100 0.036 0.000 0.983 182 R CB -0.070 30.238 30.300 0.014 0.000 0.874 182 R HN 0.167 nan 8.270 nan 0.000 0.451 183 L N -0.196 121.058 121.223 0.052 0.000 2.341 183 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 183 L C 2.050 179.038 176.870 0.197 0.000 1.115 183 L CA 0.203 55.105 54.840 0.104 0.000 0.820 183 L CB -0.079 41.952 42.059 -0.047 0.000 0.944 183 L HN -0.013 nan 8.230 nan 0.000 0.452 184 V N 1.067 121.031 119.914 0.084 0.000 2.250 184 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 184 V C -0.316 175.813 176.094 0.058 0.000 1.060 184 V CA 2.276 64.604 62.300 0.046 0.000 1.030 184 V CB -1.699 30.120 31.823 -0.007 0.000 0.643 184 V HN 0.430 nan 8.190 nan 0.000 0.445 185 P HA -0.029 nan 4.420 nan 0.000 0.245 185 P C 1.052 178.233 177.300 -0.198 0.000 1.212 185 P CA 0.872 63.910 63.100 -0.104 0.000 0.774 185 P CB -0.189 31.397 31.700 -0.190 0.000 0.999 186 F N 0.090 120.015 119.950 -0.042 0.000 2.797 186 F HA 0.140 4.667 4.527 -0.000 0.000 0.302 186 F C 0.979 176.760 175.800 -0.031 0.000 1.130 186 F CA 0.106 58.081 58.000 -0.042 0.000 1.387 186 F CB -0.783 38.184 39.000 -0.055 0.000 1.107 186 F HN -0.050 nan 8.300 nan 0.000 0.577 187 N N 0.304 119.067 118.700 0.105 0.000 2.727 187 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 187 N C -2.699 172.854 175.510 0.073 0.000 1.040 187 N CA 0.030 53.117 53.050 0.062 0.000 0.712 187 N CB -0.669 37.839 38.487 0.035 0.000 0.912 187 N HN 0.071 nan 8.380 nan 0.000 0.545 188 P HA 0.038 nan 4.420 nan 0.000 0.272 188 P C 0.729 178.053 177.300 0.040 0.000 1.230 188 P CA -0.158 62.972 63.100 0.050 0.000 0.788 188 P CB 0.857 32.578 31.700 0.034 0.000 0.949 189 K N 1.065 121.487 120.400 0.037 0.000 2.026 189 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 189 K C 0.666 177.283 176.600 0.027 0.000 1.048 189 K CA 1.490 57.797 56.287 0.032 0.000 0.929 189 K CB 0.151 32.671 32.500 0.034 0.000 0.713 189 K HN 0.551 nan 8.250 nan 0.000 0.439 190 E N -0.710 119.505 120.200 0.025 0.000 2.392 190 E HA 0.315 4.665 4.350 -0.000 0.000 0.279 190 E C -1.682 174.933 176.600 0.025 0.000 0.964 190 E CA -0.669 55.745 56.400 0.025 0.000 0.777 190 E CB 1.370 31.082 29.700 0.021 0.000 1.249 190 E HN 0.078 nan 8.360 nan 0.000 0.449 191 L N 4.263 125.506 121.223 0.033 0.000 2.296 191 L HA 0.531 4.871 4.340 -0.000 0.000 0.286 191 L C -0.687 176.229 176.870 0.077 0.000 1.023 191 L CA -0.616 54.249 54.840 0.041 0.000 0.812 191 L CB 0.784 42.860 42.059 0.028 0.000 1.223 191 L HN 0.369 nan 8.230 nan 0.000 0.421 192 L N 3.733 125.005 121.223 0.081 0.000 2.341 192 L HA 0.629 4.969 4.340 -0.000 0.000 0.267 192 L C -1.010 175.973 176.870 0.187 0.000 1.009 192 L CA -0.993 53.907 54.840 0.098 0.000 0.819 192 L CB 2.014 44.085 42.059 0.020 0.000 1.323 192 L HN 0.476 nan 8.230 nan 0.000 0.425 193 Y N 0.074 120.384 120.300 0.017 0.000 2.534 193 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 193 Y C -1.670 174.255 175.900 0.042 0.000 1.031 193 Y CA -1.314 56.804 58.100 0.030 0.000 1.022 193 Y CB 1.375 39.851 38.460 0.026 0.000 1.292 193 Y HN 0.467 nan 8.280 nan 0.000 0.459 194 Y N 3.142 123.399 120.300 -0.071 0.000 2.377 194 Y HA 0.719 5.269 4.550 -0.000 0.000 0.339 194 Y C -1.351 174.539 175.900 -0.017 0.000 1.011 194 Y CA -0.477 57.521 58.100 -0.170 0.000 1.093 194 Y CB 1.501 39.868 38.460 -0.154 0.000 1.201 194 Y HN 0.949 nan 8.280 nan 0.000 0.455 195 D N 2.426 122.206 120.400 -1.033 0.000 2.665 195 D HA 0.133 4.773 4.640 -0.000 0.000 0.287 195 D C -0.422 175.359 176.300 -0.865 0.000 1.266 195 D CA -0.426 53.139 54.000 -0.726 0.000 0.830 195 D CB 0.978 41.757 40.800 -0.035 0.000 1.356 195 D HN 0.559 nan 8.370 nan 0.000 0.437 196 Y N 0.102 120.237 120.300 -0.276 0.000 2.516 196 Y HA 0.050 4.600 4.550 -0.000 0.000 0.291 196 Y C 1.021 176.859 175.900 -0.104 0.000 1.131 196 Y CA 0.647 58.656 58.100 -0.153 0.000 1.281 196 Y CB 0.347 38.783 38.460 -0.040 0.000 1.013 196 Y HN 0.226 nan 8.280 nan 0.000 0.554 197 Q N -0.535 119.294 119.800 0.049 0.000 2.451 197 Q HA 0.771 5.111 4.340 -0.000 0.000 0.281 197 Q C -1.019 175.008 176.000 0.045 0.000 1.099 197 Q CA -1.339 54.482 55.803 0.029 0.000 0.806 197 Q CB 1.977 30.735 28.738 0.035 0.000 1.419 197 Q HN -0.011 nan 8.270 nan 0.000 0.427 198 A N 1.655 124.506 122.820 0.052 0.000 2.386 198 A HA 0.401 4.721 4.320 -0.000 0.000 0.248 198 A C -0.133 177.506 177.584 0.091 0.000 1.082 198 A CA -0.574 51.538 52.037 0.126 0.000 0.789 198 A CB 0.100 19.148 19.000 0.080 0.000 1.025 198 A HN 0.671 nan 8.150 nan 0.000 0.490 199 L N 2.101 123.380 121.223 0.093 0.000 2.439 199 L HA 0.227 4.567 4.340 -0.000 0.000 0.269 199 L C -1.817 175.033 176.870 -0.034 0.000 1.179 199 L CA -1.513 53.269 54.840 -0.096 0.000 0.828 199 L CB 0.307 42.197 42.059 -0.283 0.000 1.106 199 L HN 0.487 nan 8.230 nan 0.000 0.467 200 P HA -0.010 nan 4.420 nan 0.000 0.267 200 P C 0.208 177.494 177.300 -0.024 0.000 1.200 200 P CA -0.160 62.912 63.100 -0.046 0.000 0.772 200 P CB 0.584 32.241 31.700 -0.073 0.000 0.855 201 K N 1.701 122.101 120.400 0.000 0.000 2.074 201 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 201 K C 1.123 177.733 176.600 0.016 0.000 1.048 201 K CA 1.971 58.268 56.287 0.018 0.000 0.926 201 K CB -0.273 32.237 32.500 0.017 0.000 0.713 201 K HN 0.380 nan 8.250 nan 0.000 0.444 202 D N -0.194 120.207 120.400 0.002 0.000 2.123 202 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 202 D C 1.698 178.009 176.300 0.018 0.000 0.992 202 D CA 1.464 55.468 54.000 0.007 0.000 0.833 202 D CB -0.151 40.646 40.800 -0.005 0.000 0.954 202 D HN 0.371 nan 8.370 nan 0.000 0.455 203 A N 0.488 123.295 122.820 -0.021 0.000 1.898 203 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 203 A C 2.073 179.738 177.584 0.135 0.000 1.181 203 A CA 1.392 53.418 52.037 -0.017 0.000 0.620 203 A CB -0.522 18.283 19.000 -0.324 0.000 0.819 203 A HN 0.164 nan 8.150 nan 0.000 0.442 204 E N -0.236 120.000 120.200 0.059 0.000 2.033 204 E HA -0.247 4.103 4.350 -0.000 0.000 0.199 204 E C 2.009 178.665 176.600 0.093 0.000 1.011 204 E CA 1.697 58.149 56.400 0.087 0.000 0.815 204 E CB -0.195 29.561 29.700 0.093 0.000 0.755 204 E HN 0.730 nan 8.360 nan 0.000 0.451 205 E N 0.355 120.597 120.200 0.070 0.000 2.160 205 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 205 E C 2.048 178.680 176.600 0.054 0.000 0.991 205 E CA 0.793 57.226 56.400 0.055 0.000 0.810 205 E CB -0.064 29.660 29.700 0.041 0.000 0.742 205 E HN 0.109 nan 8.360 nan 0.000 0.466 206 K N 1.065 121.510 120.400 0.076 0.000 2.147 206 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 206 K C 1.836 178.457 176.600 0.034 0.000 1.049 206 K CA 1.539 57.869 56.287 0.072 0.000 0.936 206 K CB 0.218 32.797 32.500 0.132 0.000 0.722 206 K HN 0.172 nan 8.250 nan 0.000 0.446 207 V N -3.706 116.223 119.914 0.024 0.000 3.578 207 V HA 0.384 4.504 4.120 -0.000 0.000 0.290 207 V C 0.693 176.785 176.094 -0.003 0.000 1.376 207 V CA 0.215 62.490 62.300 -0.042 0.000 1.083 207 V CB 0.040 31.757 31.823 -0.177 0.000 0.911 207 V HN 0.309 nan 8.190 nan 0.000 0.433 208 G N 0.734 109.551 108.800 0.028 0.000 2.249 208 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.273 208 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.273 208 G C 0.340 175.276 174.900 0.059 0.000 1.036 208 G CA 0.456 45.580 45.100 0.039 0.000 0.824 208 G HN 1.675 nan 8.290 nan 0.000 0.504 209 A N -0.427 122.444 122.820 0.086 0.000 2.340 209 A HA 0.801 5.121 4.320 -0.000 0.000 0.268 209 A C 0.639 178.341 177.584 0.198 0.000 1.100 209 A CA 0.316 52.442 52.037 0.148 0.000 0.803 209 A CB 0.554 19.652 19.000 0.164 0.000 1.043 209 A HN 1.084 nan 8.150 nan 0.000 0.488 210 R N 1.789 122.400 120.500 0.185 0.000 2.494 210 R HA 0.456 4.796 4.340 -0.000 0.000 0.305 210 R C -0.285 176.008 176.300 -0.011 0.000 0.959 210 R CA -0.611 55.550 56.100 0.103 0.000 0.864 210 R CB 0.991 31.313 30.300 0.037 0.000 1.159 210 R HN 0.837 nan 8.270 nan 0.000 0.446 211 R N 3.525 123.914 120.500 -0.186 0.000 2.389 211 R HA 0.253 4.593 4.340 -0.000 0.000 0.295 211 R C -1.071 175.022 176.300 -0.345 0.000 1.075 211 R CA -0.310 55.395 56.100 -0.659 0.000 1.005 211 R CB 0.961 30.888 30.300 -0.622 0.000 0.987 211 R HN 0.410 nan 8.270 nan 0.000 0.452 212 V N 4.414 124.129 119.914 -0.331 0.000 2.513 212 V HA 0.095 4.215 4.120 -0.000 0.000 0.299 212 V C 0.997 177.044 176.094 -0.077 0.000 1.035 212 V CA -0.480 61.732 62.300 -0.146 0.000 0.889 212 V CB 1.619 33.389 31.823 -0.088 0.000 0.988 212 V HN 0.946 nan 8.190 nan 0.000 0.440 213 E N 4.035 124.213 120.200 -0.037 0.000 2.230 213 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 213 E C 0.429 177.100 176.600 0.118 0.000 0.987 213 E CA 0.922 57.325 56.400 0.004 0.000 0.841 213 E CB 0.183 29.872 29.700 -0.019 0.000 0.783 213 E HN 0.900 nan 8.360 nan 0.000 0.481 214 N N -1.505 117.233 118.700 0.063 0.000 2.357 214 N HA 0.252 4.991 4.740 -0.000 0.000 0.284 214 N C 0.086 175.480 175.510 -0.193 0.000 1.236 214 N CA -0.718 52.314 53.050 -0.031 0.000 0.774 214 N CB 0.795 39.250 38.487 -0.054 0.000 1.534 214 N HN -0.087 nan 8.380 nan 0.000 0.478 215 I N -0.014 120.282 120.570 -0.457 0.000 2.286 215 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 215 I C 1.435 177.403 176.117 -0.248 0.000 1.115 215 I CA 1.312 62.340 61.300 -0.454 0.000 1.392 215 I CB -0.161 37.509 38.000 -0.550 0.000 1.065 215 I HN 0.646 nan 8.210 nan 0.000 0.418 216 E N 0.818 120.913 120.200 -0.177 0.000 2.077 216 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 216 E C 2.064 178.592 176.600 -0.121 0.000 0.989 216 E CA 1.189 57.517 56.400 -0.119 0.000 0.800 216 E CB -0.123 29.532 29.700 -0.074 0.000 0.746 216 E HN 0.459 nan 8.360 nan 0.000 0.452 217 E N -0.070 120.066 120.200 -0.108 0.000 2.107 217 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 217 E C 2.099 178.632 176.600 -0.111 0.000 0.982 217 E CA 0.430 56.776 56.400 -0.090 0.000 0.809 217 E CB -0.087 29.575 29.700 -0.065 0.000 0.756 217 E HN 0.139 nan 8.360 nan 0.000 0.459 218 L N 1.193 122.338 121.223 -0.131 0.000 1.989 218 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 218 L C 2.528 179.271 176.870 -0.211 0.000 1.071 218 L CA 1.589 56.346 54.840 -0.139 0.000 0.749 218 L CB -0.402 41.585 42.059 -0.119 0.000 0.890 218 L HN 0.090 nan 8.230 nan 0.000 0.431 219 V N -2.729 116.991 119.914 -0.323 0.000 2.667 219 V HA -0.022 4.098 4.120 -0.000 0.000 0.252 219 V C 2.457 178.323 176.094 -0.381 0.000 1.065 219 V CA 1.224 63.187 62.300 -0.562 0.000 1.083 219 V CB -1.611 29.570 31.823 -1.070 0.000 0.692 219 V HN 0.428 nan 8.190 nan 0.000 0.468 220 A N 1.484 124.174 122.820 -0.217 0.000 2.024 220 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 220 A C 2.254 179.779 177.584 -0.099 0.000 1.164 220 A CA 2.024 53.989 52.037 -0.121 0.000 0.643 220 A CB -0.464 18.487 19.000 -0.081 0.000 0.806 220 A HN 0.897 nan 8.150 nan 0.000 0.451 221 Q N -1.532 118.203 119.800 -0.107 0.000 2.217 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.217 221 Q C 0.495 176.457 176.000 -0.063 0.000 0.844 221 Q CA 0.320 56.081 55.803 -0.070 0.000 0.957 221 Q CB 0.100 28.806 28.738 -0.054 0.000 1.127 221 Q HN 0.419 nan 8.270 nan 0.000 0.503 222 A N 1.206 123.969 122.820 -0.096 0.000 2.309 222 A HA 0.225 4.545 4.320 -0.000 0.000 0.298 222 A C 0.045 177.612 177.584 -0.027 0.000 1.165 222 A CA -0.541 51.457 52.037 -0.064 0.000 0.821 222 A CB 0.614 19.553 19.000 -0.101 0.000 1.102 222 A HN 0.157 nan 8.150 nan 0.000 0.500 223 D N 1.272 121.692 120.400 0.034 0.000 2.162 223 D HA 0.032 4.672 4.640 -0.000 0.000 0.203 223 D C 0.257 176.687 176.300 0.216 0.000 0.967 223 D CA 1.573 55.634 54.000 0.101 0.000 0.840 223 D CB 0.168 41.075 40.800 0.178 0.000 0.972 223 D HN 0.571 nan 8.370 nan 0.000 0.482 224 I N 0.952 121.626 120.570 0.174 0.000 2.465 224 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 224 I C -0.726 175.441 176.117 0.083 0.000 1.014 224 I CA -0.768 60.647 61.300 0.191 0.000 1.093 224 I CB 2.954 41.015 38.000 0.101 0.000 1.267 224 I HN -0.381 nan 8.210 nan 0.000 0.431 225 V N 3.881 123.860 119.914 0.109 0.000 2.540 225 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 225 V C -0.205 175.928 176.094 0.064 0.000 1.035 225 V CA -0.485 61.852 62.300 0.061 0.000 0.873 225 V CB 2.081 33.939 31.823 0.059 0.000 0.992 225 V HN 0.789 nan 8.190 nan 0.000 0.428 226 T N 3.983 118.558 114.554 0.034 0.000 2.841 226 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 226 T C -0.915 173.811 174.700 0.043 0.000 0.991 226 T CA -0.360 61.751 62.100 0.017 0.000 0.966 226 T CB 1.359 70.220 68.868 -0.010 0.000 0.962 226 T HN 0.366 nan 8.240 nan 0.000 0.438 227 V N 6.664 126.605 119.914 0.045 0.000 2.385 227 V HA 0.452 4.572 4.120 -0.000 0.000 0.269 227 V C 0.229 176.359 176.094 0.060 0.000 1.043 227 V CA -0.635 61.705 62.300 0.067 0.000 0.906 227 V CB 0.862 32.731 31.823 0.077 0.000 0.995 227 V HN 0.859 nan 8.190 nan 0.000 0.467 228 N N 4.286 123.032 118.700 0.077 0.000 2.703 228 N HA 0.551 5.291 4.740 -0.000 0.000 0.283 228 N C -0.505 175.063 175.510 0.097 0.000 1.851 228 N CA 0.043 53.139 53.050 0.077 0.000 0.826 228 N CB 1.934 40.464 38.487 0.071 0.000 1.239 228 N HN 0.752 nan 8.380 nan 0.000 0.495 229 A N 0.980 123.854 122.820 0.090 0.000 2.498 229 A HA 0.819 5.139 4.320 -0.000 0.000 0.298 229 A C -2.671 174.942 177.584 0.047 0.000 1.075 229 A CA -1.238 50.863 52.037 0.106 0.000 0.714 229 A CB 1.674 20.758 19.000 0.140 0.000 1.299 229 A HN -0.038 nan 8.150 nan 0.000 0.407 230 P HA 0.329 nan 4.420 nan 0.000 0.272 230 P C -0.647 176.560 177.300 -0.156 0.000 1.240 230 P CA -0.351 62.755 63.100 0.009 0.000 0.791 230 P CB 0.423 32.194 31.700 0.118 0.000 0.978 231 L N 3.783 124.946 121.223 -0.100 0.000 2.315 231 L HA 0.286 4.626 4.340 -0.000 0.000 0.283 231 L C 0.381 177.196 176.870 -0.092 0.000 1.089 231 L CA 0.464 55.219 54.840 -0.142 0.000 0.833 231 L CB -0.840 41.180 42.059 -0.064 0.000 1.170 231 L HN 0.549 nan 8.230 nan 0.000 0.442 232 H N 2.759 121.835 119.070 0.010 0.000 2.928 232 H HA 0.483 5.039 4.556 -0.000 0.000 0.285 232 H C 0.294 175.618 175.328 -0.006 0.000 1.438 232 H CA -0.568 55.474 56.048 -0.010 0.000 1.176 232 H CB 0.793 30.535 29.762 -0.034 0.000 1.864 232 H HN 0.398 nan 8.280 nan 0.000 0.567 233 A N 0.067 123.023 122.820 0.226 0.000 2.076 233 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 233 A C 2.136 179.832 177.584 0.187 0.000 1.160 233 A CA 1.826 53.943 52.037 0.132 0.000 0.653 233 A CB -1.292 17.746 19.000 0.063 0.000 0.801 233 A HN 0.793 nan 8.150 nan 0.000 0.455 234 G N -1.301 107.751 108.800 0.420 0.000 2.623 234 G HA2 0.063 4.023 3.960 -0.000 0.000 0.214 234 G HA3 0.063 4.023 3.960 -0.000 0.000 0.214 234 G C 1.392 176.437 174.900 0.242 0.000 1.138 234 G CA 1.631 46.961 45.100 0.383 0.000 0.794 234 G HN 0.692 nan 8.290 nan 0.000 0.535 235 T N -2.764 111.823 114.554 0.055 0.000 2.959 235 T HA 0.287 4.637 4.350 -0.000 0.000 0.254 235 T C 0.934 175.606 174.700 -0.047 0.000 1.003 235 T CA -0.255 61.811 62.100 -0.057 0.000 0.950 235 T CB 0.211 68.945 68.868 -0.223 0.000 1.090 235 T HN 0.089 nan 8.240 nan 0.000 0.503 236 K N 1.889 122.262 120.400 -0.043 0.000 2.419 236 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 236 K C 1.203 177.781 176.600 -0.035 0.000 1.056 236 K CA 0.955 57.208 56.287 -0.057 0.000 1.035 236 K CB -0.418 32.047 32.500 -0.059 0.000 0.921 236 K HN 0.514 nan 8.250 nan 0.000 0.472 237 G N 3.880 112.656 108.800 -0.040 0.000 2.168 237 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 237 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 237 G C 0.469 175.374 174.900 0.008 0.000 0.997 237 G CA 0.434 45.523 45.100 -0.018 0.000 0.708 237 G HN 0.677 nan 8.290 nan 0.000 0.520 238 L N 0.303 121.537 121.223 0.017 0.000 2.017 238 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 238 L C 1.675 178.574 176.870 0.048 0.000 1.073 238 L CA 1.548 56.406 54.840 0.029 0.000 0.745 238 L CB -0.084 41.993 42.059 0.029 0.000 0.894 238 L HN 0.322 nan 8.230 nan 0.000 0.432 239 I N 2.250 122.859 120.570 0.066 0.000 2.243 239 I HA 0.148 4.318 4.170 -0.000 0.000 0.297 239 I C -0.291 175.843 176.117 0.028 0.000 1.161 239 I CA -0.051 61.293 61.300 0.073 0.000 1.298 239 I CB -1.829 36.229 38.000 0.096 0.000 1.475 239 I HN 0.433 nan 8.210 nan 0.000 0.561 240 N N 5.166 123.875 118.700 0.015 0.000 2.619 240 N HA 0.350 5.089 4.740 -0.000 0.000 0.294 240 N C 0.678 176.173 175.510 -0.025 0.000 1.279 240 N CA -0.965 52.082 53.050 -0.004 0.000 0.867 240 N CB 0.764 39.252 38.487 0.002 0.000 1.329 240 N HN 0.260 nan 8.380 nan 0.000 0.557 241 K N -1.139 119.244 120.400 -0.028 0.000 2.147 241 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 241 K C 1.082 177.668 176.600 -0.024 0.000 1.049 241 K CA 0.936 57.199 56.287 -0.040 0.000 0.936 241 K CB -0.103 32.376 32.500 -0.034 0.000 0.722 241 K HN 0.499 nan 8.250 nan 0.000 0.446 242 E N 1.572 121.767 120.200 -0.007 0.000 2.023 242 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 242 E C 2.040 178.655 176.600 0.026 0.000 1.003 242 E CA 1.171 57.573 56.400 0.005 0.000 0.809 242 E CB -0.210 29.493 29.700 0.005 0.000 0.755 242 E HN 0.286 nan 8.360 nan 0.000 0.449 243 L N 0.876 122.126 121.223 0.044 0.000 2.056 243 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 243 L C 2.484 179.475 176.870 0.202 0.000 1.078 243 L CA 1.270 56.177 54.840 0.111 0.000 0.749 243 L CB -0.560 41.574 42.059 0.126 0.000 0.901 243 L HN 0.129 nan 8.230 nan 0.000 0.433 244 L N -0.473 120.775 121.223 0.041 0.000 2.129 244 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 244 L C 2.664 179.528 176.870 -0.010 0.000 1.087 244 L CA 1.533 56.275 54.840 -0.165 0.000 0.757 244 L CB -0.783 41.091 42.059 -0.308 0.000 0.896 244 L HN 0.558 nan 8.230 nan 0.000 0.434 245 S N -0.776 114.934 115.700 0.017 0.000 2.469 245 S HA -0.128 4.342 4.470 -0.000 0.000 0.238 245 S C 1.734 176.372 174.600 0.064 0.000 0.998 245 S CA 0.718 58.931 58.200 0.022 0.000 0.957 245 S CB -0.136 63.067 63.200 0.004 0.000 0.764 245 S HN 0.367 nan 8.310 nan 0.000 0.514 246 K N -0.110 120.367 120.400 0.129 0.000 2.361 246 K HA 0.282 4.602 4.320 -0.000 0.000 0.194 246 K C -0.224 176.454 176.600 0.131 0.000 1.032 246 K CA -0.261 56.086 56.287 0.099 0.000 1.048 246 K CB -0.166 32.370 32.500 0.059 0.000 0.842 246 K HN 0.380 nan 8.250 nan 0.000 0.526 247 F N 2.715 122.635 119.950 -0.050 0.000 2.539 247 F HA 0.008 4.535 4.527 -0.000 0.000 0.340 247 F C 1.228 176.989 175.800 -0.066 0.000 1.185 247 F CA -0.073 57.893 58.000 -0.055 0.000 1.333 247 F CB 0.243 39.207 39.000 -0.059 0.000 1.152 247 F HN -0.271 nan 8.300 nan 0.000 0.602 248 K N 1.176 121.621 120.400 0.076 0.000 2.485 248 K HA -0.042 4.278 4.320 -0.000 0.000 0.277 248 K C -0.077 176.523 176.600 -0.001 0.000 0.990 248 K CA -0.209 56.084 56.287 0.011 0.000 0.994 248 K CB 0.312 32.791 32.500 -0.035 0.000 0.906 248 K HN 0.314 nan 8.250 nan 0.000 0.488 249 K N 1.237 121.613 120.400 -0.040 0.000 2.447 249 K HA -0.013 4.307 4.320 -0.000 0.000 0.281 249 K C 0.550 177.058 176.600 -0.153 0.000 1.031 249 K CA 1.215 57.455 56.287 -0.079 0.000 1.019 249 K CB -0.000 32.459 32.500 -0.068 0.000 0.918 249 K HN 0.718 nan 8.250 nan 0.000 0.476 250 G N 2.124 110.797 108.800 -0.212 0.000 2.132 250 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.228 250 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.228 250 G C 0.229 174.765 174.900 -0.607 0.000 1.000 250 G CA -0.040 44.834 45.100 -0.377 0.000 0.693 250 G HN 0.949 nan 8.290 nan 0.000 0.515 251 A N -0.266 122.341 122.820 -0.355 0.000 2.406 251 A HA 0.569 4.889 4.320 -0.000 0.000 0.243 251 A C 0.443 177.839 177.584 -0.314 0.000 1.082 251 A CA 0.055 51.942 52.037 -0.249 0.000 0.786 251 A CB 0.397 19.480 19.000 0.140 0.000 1.029 251 A HN 0.658 nan 8.150 nan 0.000 0.495 252 W N 0.821 122.128 121.300 0.011 0.000 2.573 252 W HA 0.530 5.189 4.660 -0.000 0.000 0.326 252 W C -0.900 175.629 176.519 0.017 0.000 1.049 252 W CA -0.538 56.798 57.345 -0.014 0.000 1.220 252 W CB 1.681 31.106 29.460 -0.058 0.000 1.373 252 W HN 0.519 nan 8.180 nan 0.000 0.507 253 L N 3.608 124.941 121.223 0.184 0.000 2.385 253 L HA 0.674 5.014 4.340 -0.000 0.000 0.273 253 L C -1.141 175.597 176.870 -0.221 0.000 0.990 253 L CA -0.708 54.186 54.840 0.089 0.000 0.821 253 L CB 1.742 43.908 42.059 0.177 0.000 1.279 253 L HN 0.101 nan 8.230 nan 0.000 0.412 254 V N 4.355 124.149 119.914 -0.200 0.000 2.604 254 V HA 0.612 4.732 4.120 -0.000 0.000 0.305 254 V C -0.819 175.119 176.094 -0.261 0.000 1.043 254 V CA -0.648 61.445 62.300 -0.345 0.000 0.888 254 V CB 1.909 33.619 31.823 -0.189 0.000 0.995 254 V HN 0.816 nan 8.190 nan 0.000 0.429 255 N N 2.065 120.558 118.700 -0.344 0.000 2.549 255 N HA 0.313 5.053 4.740 -0.000 0.000 0.281 255 N C 0.129 175.602 175.510 -0.062 0.000 1.084 255 N CA -0.096 52.883 53.050 -0.117 0.000 0.862 255 N CB 1.939 40.431 38.487 0.009 0.000 1.333 255 N HN 0.725 nan 8.380 nan 0.000 0.523 256 T N 0.116 114.666 114.554 -0.007 0.000 3.215 256 T HA 0.497 4.847 4.350 -0.000 0.000 0.271 256 T C 0.972 175.701 174.700 0.048 0.000 1.012 256 T CA 0.172 62.289 62.100 0.028 0.000 0.899 256 T CB 0.460 69.347 68.868 0.032 0.000 1.089 256 T HN 0.321 nan 8.240 nan 0.000 0.552 257 A N 2.181 125.029 122.820 0.046 0.000 2.250 257 A HA 0.639 4.958 4.320 -0.000 0.000 0.222 257 A C 0.750 178.355 177.584 0.034 0.000 1.768 257 A CA -0.031 52.034 52.037 0.046 0.000 0.660 257 A CB 0.402 19.431 19.000 0.048 0.000 1.318 257 A HN 0.336 nan 8.150 nan 0.000 0.527 258 R N -1.543 118.983 120.500 0.044 0.000 2.604 258 R HA 0.380 4.720 4.340 -0.000 0.000 0.281 258 R C 0.894 177.254 176.300 0.100 0.000 1.020 258 R CA 0.093 56.217 56.100 0.040 0.000 0.899 258 R CB 1.133 31.439 30.300 0.009 0.000 1.205 258 R HN 0.461 nan 8.270 nan 0.000 0.450 259 G N 1.175 110.063 108.800 0.147 0.000 2.442 259 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 259 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 259 G C 1.059 176.065 174.900 0.177 0.000 1.141 259 G CA 1.100 46.347 45.100 0.245 0.000 0.763 259 G HN 0.614 nan 8.290 nan 0.000 0.554 260 A N 0.249 123.082 122.820 0.022 0.000 2.209 260 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 260 A C 2.213 179.748 177.584 -0.082 0.000 1.158 260 A CA 0.448 52.377 52.037 -0.181 0.000 0.742 260 A CB -0.283 18.403 19.000 -0.523 0.000 0.790 260 A HN 0.404 nan 8.150 nan 0.000 0.472 261 I N -0.443 120.129 120.570 0.004 0.000 2.335 261 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 261 I C 0.642 176.804 176.117 0.076 0.000 1.129 261 I CA 0.204 61.521 61.300 0.028 0.000 1.402 261 I CB -0.340 37.687 38.000 0.044 0.000 1.069 261 I HN 0.271 nan 8.210 nan 0.000 0.424 262 C N 0.522 119.913 119.300 0.151 0.000 2.364 262 C HA 0.402 4.862 4.460 -0.000 0.000 0.356 262 C C 0.457 175.522 174.990 0.125 0.000 1.201 262 C CA -0.829 58.306 59.018 0.195 0.000 2.227 262 C CB 1.501 29.493 27.740 0.421 0.000 2.387 262 C HN -0.048 nan 8.230 nan 0.000 0.546 263 V N 3.510 123.479 119.914 0.093 0.000 2.348 263 V HA 0.293 4.413 4.120 -0.000 0.000 0.270 263 V C 1.140 177.286 176.094 0.086 0.000 1.037 263 V CA 0.367 62.695 62.300 0.046 0.000 0.872 263 V CB 0.456 32.287 31.823 0.013 0.000 1.002 263 V HN 1.150 nan 8.190 nan 0.000 0.464 264 A N 4.750 127.562 122.820 -0.013 0.000 1.869 264 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 264 A C 2.106 179.740 177.584 0.083 0.000 1.203 264 A CA 2.227 54.187 52.037 -0.128 0.000 0.638 264 A CB -0.401 18.183 19.000 -0.693 0.000 0.831 264 A HN 0.993 nan 8.150 nan 0.000 0.450 265 E N -0.576 119.602 120.200 -0.036 0.000 2.204 265 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 265 E C 1.049 177.659 176.600 0.016 0.000 0.990 265 E CA 1.411 57.807 56.400 -0.006 0.000 0.821 265 E CB -0.361 29.312 29.700 -0.045 0.000 0.750 265 E HN 0.532 nan 8.360 nan 0.000 0.477 266 D N 0.809 121.216 120.400 0.012 0.000 2.117 266 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 266 D C 2.118 178.388 176.300 -0.051 0.000 0.982 266 D CA 1.123 55.111 54.000 -0.020 0.000 0.828 266 D CB -0.195 40.590 40.800 -0.024 0.000 0.967 266 D HN 0.114 nan 8.370 nan 0.000 0.464 267 V N 1.329 121.231 119.914 -0.021 0.000 2.295 267 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 267 V C 2.494 178.485 176.094 -0.171 0.000 1.049 267 V CA 1.801 63.990 62.300 -0.185 0.000 1.024 267 V CB -0.874 30.700 31.823 -0.415 0.000 0.648 267 V HN 0.197 nan 8.190 nan 0.000 0.447 268 A N 0.179 123.003 122.820 0.007 0.000 1.884 268 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 268 A C 2.416 179.985 177.584 -0.025 0.000 1.197 268 A CA 2.708 54.761 52.037 0.027 0.000 0.637 268 A CB -1.009 18.070 19.000 0.131 0.000 0.827 268 A HN 0.630 nan 8.150 nan 0.000 0.450 269 A N -0.649 122.154 122.820 -0.029 0.000 1.972 269 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 269 A C 2.472 180.012 177.584 -0.073 0.000 1.169 269 A CA 2.031 54.042 52.037 -0.043 0.000 0.635 269 A CB -0.901 18.076 19.000 -0.038 0.000 0.810 269 A HN 1.110 nan 8.150 nan 0.000 0.446 270 A N -0.524 122.232 122.820 -0.106 0.000 1.898 270 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 270 A C 2.098 179.599 177.584 -0.138 0.000 1.181 270 A CA 1.600 53.552 52.037 -0.142 0.000 0.620 270 A CB -0.594 18.280 19.000 -0.211 0.000 0.819 270 A HN 0.578 nan 8.150 nan 0.000 0.442 271 L N -0.074 121.070 121.223 -0.131 0.000 2.012 271 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 271 L C 2.173 178.993 176.870 -0.085 0.000 1.073 271 L CA 2.539 57.317 54.840 -0.104 0.000 0.748 271 L CB -0.606 41.402 42.059 -0.086 0.000 0.891 271 L HN 0.436 nan 8.230 nan 0.000 0.431 272 E N -0.871 119.289 120.200 -0.067 0.000 2.150 272 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 272 E C 2.247 178.802 176.600 -0.076 0.000 0.985 272 E CA 1.265 57.630 56.400 -0.058 0.000 0.814 272 E CB -0.174 29.504 29.700 -0.036 0.000 0.752 272 E HN 0.680 nan 8.360 nan 0.000 0.466 273 S N -1.614 114.038 115.700 -0.081 0.000 2.527 273 S HA 0.135 4.605 4.470 -0.000 0.000 0.222 273 S C 1.741 176.280 174.600 -0.101 0.000 0.985 273 S CA 0.516 58.667 58.200 -0.082 0.000 0.921 273 S CB 0.352 63.508 63.200 -0.074 0.000 0.772 273 S HN 0.360 nan 8.310 nan 0.000 0.529 274 G N 1.027 109.755 108.800 -0.121 0.000 2.199 274 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.254 274 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.254 274 G C 0.770 175.584 174.900 -0.144 0.000 0.982 274 G CA 0.678 45.693 45.100 -0.142 0.000 0.632 274 G HN 0.583 nan 8.290 nan 0.000 0.529 275 Q N 0.143 119.865 119.800 -0.129 0.000 2.112 275 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 275 Q C 1.212 177.113 176.000 -0.165 0.000 0.987 275 Q CA 1.535 57.261 55.803 -0.129 0.000 0.858 275 Q CB -0.128 28.529 28.738 -0.134 0.000 0.905 275 Q HN 0.661 nan 8.270 nan 0.000 0.420 276 L N 0.406 121.517 121.223 -0.186 0.000 2.334 276 L HA 0.438 4.778 4.340 -0.000 0.000 0.276 276 L C 0.960 177.699 176.870 -0.219 0.000 1.014 276 L CA -0.526 54.192 54.840 -0.203 0.000 0.815 276 L CB 1.585 43.541 42.059 -0.172 0.000 1.268 276 L HN 0.036 nan 8.230 nan 0.000 0.428 277 R N 0.992 121.284 120.500 -0.346 0.000 2.223 277 R HA 0.220 4.560 4.340 -0.000 0.000 0.198 277 R C 0.289 176.538 176.300 -0.085 0.000 0.984 277 R CA 0.452 56.353 56.100 -0.332 0.000 1.018 277 R CB 0.597 30.448 30.300 -0.747 0.000 0.945 277 R HN 0.837 nan 8.270 nan 0.000 0.479 278 G N -0.915 107.883 108.800 -0.004 0.000 2.732 278 G HA2 0.319 4.279 3.960 -0.000 0.000 0.296 278 G HA3 0.319 4.279 3.960 -0.000 0.000 0.296 278 G C -2.423 172.576 174.900 0.164 0.000 1.448 278 G CA -0.515 44.713 45.100 0.212 0.000 0.911 278 G HN 0.107 nan 8.290 nan 0.000 0.528 279 Y N 0.606 120.881 120.300 -0.041 0.000 2.457 279 Y HA 0.730 5.280 4.550 -0.000 0.000 0.343 279 Y C 0.191 175.996 175.900 -0.159 0.000 0.994 279 Y CA 0.084 58.088 58.100 -0.160 0.000 1.031 279 Y CB 2.245 40.497 38.460 -0.347 0.000 1.246 279 Y HN 1.008 nan 8.280 nan 0.000 0.449 280 G N 1.448 109.802 108.800 -0.745 0.000 2.721 280 G HA2 0.684 4.644 3.960 -0.000 0.000 0.296 280 G HA3 0.684 4.644 3.960 -0.000 0.000 0.296 280 G C -0.795 173.759 174.900 -0.577 0.000 1.383 280 G CA -0.452 44.359 45.100 -0.483 0.000 0.788 280 G HN 1.499 nan 8.290 nan 0.000 0.500 281 G N -0.869 107.799 108.800 -0.219 0.000 2.346 281 G HA2 0.461 4.421 3.960 -0.000 0.000 0.294 281 G HA3 0.461 4.421 3.960 -0.000 0.000 0.294 281 G C -0.703 174.223 174.900 0.043 0.000 1.294 281 G CA 0.735 45.774 45.100 -0.102 0.000 0.962 281 G HN 1.398 nan 8.290 nan 0.000 0.508 282 D N -1.570 118.878 120.400 0.080 0.000 2.556 282 D HA 0.284 4.924 4.640 -0.000 0.000 0.237 282 D C 0.674 177.176 176.300 0.336 0.000 1.296 282 D CA 0.724 54.873 54.000 0.248 0.000 0.807 282 D CB 0.272 41.140 40.800 0.113 0.000 1.084 282 D HN 1.256 nan 8.370 nan 0.000 0.510 283 V N -2.839 117.146 119.914 0.118 0.000 2.715 283 V HA 0.910 5.030 4.120 -0.000 0.000 0.310 283 V C -1.393 174.749 176.094 0.080 0.000 1.054 283 V CA -0.705 61.684 62.300 0.148 0.000 0.928 283 V CB 1.702 33.564 31.823 0.064 0.000 1.007 283 V HN 0.039 nan 8.190 nan 0.000 0.437 284 W N 2.691 124.071 121.300 0.132 0.000 3.127 284 W HA 0.748 5.408 4.660 -0.000 0.000 0.330 284 W C -1.350 175.228 176.519 0.098 0.000 1.187 284 W CA -0.606 56.772 57.345 0.055 0.000 1.198 284 W CB 2.180 31.581 29.460 -0.099 0.000 1.408 284 W HN 0.692 nan 8.180 nan 0.000 0.529 285 F N 4.346 124.373 119.950 0.129 0.000 2.536 285 F HA 0.634 5.161 4.527 -0.000 0.000 0.322 285 F C -2.304 173.586 175.800 0.151 0.000 1.144 285 F CA -2.763 55.297 58.000 0.101 0.000 0.924 285 F CB 1.217 40.231 39.000 0.023 0.000 1.181 285 F HN 0.028 nan 8.300 nan 0.000 0.438 286 P HA 0.208 nan 4.420 nan 0.000 0.273 286 P C -1.712 175.515 177.300 -0.123 0.000 1.250 286 P CA -0.289 62.445 63.100 -0.611 0.000 0.793 286 P CB 0.609 32.020 31.700 -0.482 0.000 1.011 287 Q N 0.482 120.241 119.800 -0.068 0.000 2.271 287 Q HA 0.388 4.728 4.340 -0.000 0.000 0.268 287 Q C -2.427 173.564 176.000 -0.013 0.000 1.021 287 Q CA -1.819 53.985 55.803 0.001 0.000 0.802 287 Q CB 1.065 29.862 28.738 0.098 0.000 1.282 287 Q HN 0.315 nan 8.270 nan 0.000 0.431 288 P HA 0.086 nan 4.420 nan 0.000 0.267 288 P C -1.076 176.101 177.300 -0.205 0.000 1.201 288 P CA -0.142 62.880 63.100 -0.129 0.000 0.775 288 P CB 0.444 32.083 31.700 -0.103 0.000 0.854 289 A N 4.004 126.569 122.820 -0.425 0.000 2.454 289 A HA 0.400 4.720 4.320 -0.000 0.000 0.260 289 A C -1.904 175.535 177.584 -0.242 0.000 1.106 289 A CA -0.992 50.783 52.037 -0.436 0.000 0.780 289 A CB -1.097 17.224 19.000 -1.131 0.000 1.044 289 A HN 0.414 nan 8.150 nan 0.000 0.498 290 P HA 0.087 nan 4.420 nan 0.000 0.269 290 P C 0.545 177.821 177.300 -0.039 0.000 1.217 290 P CA -0.196 62.870 63.100 -0.056 0.000 0.783 290 P CB 0.501 32.185 31.700 -0.027 0.000 0.898 291 K N 0.957 121.337 120.400 -0.034 0.000 2.209 291 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 291 K C 0.886 177.503 176.600 0.028 0.000 1.048 291 K CA 1.522 57.801 56.287 -0.014 0.000 0.940 291 K CB -0.280 32.212 32.500 -0.013 0.000 0.729 291 K HN 0.607 nan 8.250 nan 0.000 0.451 292 D N -0.662 119.756 120.400 0.029 0.000 2.342 292 D HA -0.086 4.554 4.640 -0.000 0.000 0.221 292 D C 0.219 176.562 176.300 0.073 0.000 1.101 292 D CA -0.208 53.818 54.000 0.043 0.000 0.837 292 D CB -0.456 40.349 40.800 0.008 0.000 0.938 292 D HN 0.070 nan 8.370 nan 0.000 0.508 293 H N 2.172 121.256 119.070 0.024 0.000 3.034 293 H HA 0.012 4.568 4.556 -0.000 0.000 0.324 293 H C -1.346 174.063 175.328 0.135 0.000 1.015 293 H CA -0.665 55.420 56.048 0.062 0.000 1.429 293 H CB 1.507 31.363 29.762 0.157 0.000 1.429 293 H HN -0.049 nan 8.280 nan 0.000 0.585 294 P HA -0.149 nan 4.420 nan 0.000 0.222 294 P C 1.162 178.744 177.300 0.470 0.000 1.147 294 P CA 0.977 64.175 63.100 0.162 0.000 0.790 294 P CB -0.031 31.672 31.700 0.004 0.000 0.780 295 W N 0.705 122.305 121.300 0.502 0.000 2.595 295 W HA 0.110 4.770 4.660 -0.000 0.000 0.257 295 W C 2.297 179.027 176.519 0.352 0.000 1.267 295 W CA 0.062 57.576 57.345 0.283 0.000 1.300 295 W CB -1.245 28.182 29.460 -0.055 0.000 1.120 295 W HN 0.055 nan 8.180 nan 0.000 0.618 296 R N 0.001 120.909 120.500 0.681 0.000 2.073 296 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 296 R C 1.212 177.695 176.300 0.304 0.000 1.134 296 R CA 1.728 58.110 56.100 0.470 0.000 0.952 296 R CB -0.363 30.129 30.300 0.319 0.000 0.850 296 R HN 0.010 nan 8.270 nan 0.000 0.433 297 D N -0.134 120.419 120.400 0.256 0.000 2.392 297 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 297 D C 0.494 176.882 176.300 0.147 0.000 1.046 297 D CA 0.147 54.248 54.000 0.169 0.000 0.865 297 D CB 0.205 41.084 40.800 0.132 0.000 0.969 297 D HN 0.193 nan 8.370 nan 0.000 0.509 298 M N 0.509 120.213 119.600 0.173 0.000 2.248 298 M HA 0.277 4.757 4.480 -0.000 0.000 0.345 298 M C -0.136 176.219 176.300 0.091 0.000 1.243 298 M CA 0.334 55.707 55.300 0.122 0.000 1.090 298 M CB 0.928 33.606 32.600 0.130 0.000 1.683 298 M HN -0.350 nan 8.290 nan 0.000 0.450 299 R N 2.128 122.665 120.500 0.062 0.000 2.799 299 R HA 0.466 4.806 4.340 -0.000 0.000 0.270 299 R C -0.880 175.434 176.300 0.023 0.000 1.010 299 R CA -0.928 55.205 56.100 0.055 0.000 0.916 299 R CB 1.064 31.403 30.300 0.065 0.000 1.228 299 R HN 0.971 nan 8.270 nan 0.000 0.469 300 N N -0.031 118.683 118.700 0.023 0.000 2.366 300 N HA 0.013 4.753 4.740 -0.000 0.000 0.277 300 N C 0.606 176.086 175.510 -0.050 0.000 1.275 300 N CA -0.407 52.627 53.050 -0.027 0.000 0.964 300 N CB 0.391 38.863 38.487 -0.025 0.000 1.167 300 N HN 0.547 nan 8.380 nan 0.000 0.568 301 K N -2.023 118.276 120.400 -0.167 0.000 2.360 301 K HA -0.134 4.186 4.320 -0.000 0.000 0.201 301 K C 0.326 176.851 176.600 -0.125 0.000 1.046 301 K CA 1.353 57.512 56.287 -0.214 0.000 0.945 301 K CB -0.393 31.879 32.500 -0.380 0.000 0.750 301 K HN 0.444 nan 8.250 nan 0.000 0.464 302 Y N 0.390 120.704 120.300 0.024 0.000 2.458 302 Y HA 0.283 4.833 4.550 -0.000 0.000 0.256 302 Y C 1.378 177.293 175.900 0.026 0.000 1.159 302 Y CA -0.445 57.670 58.100 0.026 0.000 1.261 302 Y CB 0.740 39.221 38.460 0.036 0.000 1.119 302 Y HN 0.347 nan 8.280 nan 0.000 0.524 303 G N -0.371 108.521 108.800 0.154 0.000 2.132 303 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.234 303 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.234 303 G C 0.373 175.336 174.900 0.105 0.000 0.989 303 G CA 0.272 45.435 45.100 0.106 0.000 0.676 303 G HN 0.670 nan 8.290 nan 0.000 0.522 304 A N -1.819 121.078 122.820 0.129 0.000 3.827 304 A HA 1.027 5.347 4.320 -0.000 0.000 0.199 304 A C 1.946 179.605 177.584 0.126 0.000 0.867 304 A CA 1.011 53.124 52.037 0.125 0.000 0.776 304 A CB -0.111 18.973 19.000 0.140 0.000 1.446 304 A HN 2.110 nan 8.150 nan 0.000 0.768 305 G N -0.391 108.500 108.800 0.151 0.000 2.148 305 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 305 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 305 G C -0.067 174.907 174.900 0.124 0.000 0.981 305 G CA 0.549 45.740 45.100 0.153 0.000 0.670 305 G HN 1.011 nan 8.290 nan 0.000 0.528 306 N N 0.147 118.918 118.700 0.118 0.000 2.483 306 N HA 0.633 5.373 4.740 -0.000 0.000 0.267 306 N C 0.141 175.721 175.510 0.115 0.000 0.998 306 N CA 0.261 53.378 53.050 0.113 0.000 0.918 306 N CB 1.355 39.917 38.487 0.125 0.000 1.215 306 N HN 0.627 nan 8.380 nan 0.000 0.500 307 A N 4.643 127.513 122.820 0.083 0.000 2.855 307 A HA 0.306 4.626 4.320 -0.000 0.000 0.301 307 A C 0.181 177.821 177.584 0.094 0.000 1.076 307 A CA -0.486 51.600 52.037 0.083 0.000 1.004 307 A CB -0.094 18.925 19.000 0.033 0.000 1.152 307 A HN 0.524 nan 8.150 nan 0.000 0.531 308 M N 1.676 121.365 119.600 0.148 0.000 2.238 308 M HA 0.306 4.786 4.480 -0.000 0.000 0.347 308 M C 0.632 177.144 176.300 0.354 0.000 1.173 308 M CA 0.566 55.999 55.300 0.222 0.000 1.147 308 M CB 0.428 33.204 32.600 0.293 0.000 1.547 308 M HN 0.592 nan 8.290 nan 0.000 0.455 309 T N 0.748 115.576 114.554 0.456 0.000 2.887 309 T HA 0.795 5.145 4.350 -0.000 0.000 0.292 309 T C -2.834 172.257 174.700 0.651 0.000 1.087 309 T CA -1.903 60.502 62.100 0.509 0.000 1.009 309 T CB 1.878 71.109 68.868 0.605 0.000 1.203 309 T HN 0.278 nan 8.240 nan 0.000 0.518 310 P HA 0.193 nan 4.420 nan 0.000 0.274 310 P C -0.632 176.982 177.300 0.523 0.000 1.260 310 P CA -0.309 63.006 63.100 0.358 0.000 0.793 310 P CB 0.027 31.793 31.700 0.110 0.000 1.048 311 H N 0.780 120.050 119.070 0.334 0.000 3.205 311 H HA 0.102 4.658 4.556 -0.000 0.000 0.262 311 H C -0.017 175.528 175.328 0.362 0.000 1.333 311 H CA 0.154 56.406 56.048 0.340 0.000 1.499 311 H CB -1.192 28.759 29.762 0.315 0.000 1.609 311 H HN 0.436 nan 8.280 nan 0.000 0.498 312 Y N 1.459 121.738 120.300 -0.034 0.000 2.666 312 Y HA 0.151 4.701 4.550 -0.000 0.000 0.260 312 Y C 1.724 177.510 175.900 -0.190 0.000 1.089 312 Y CA 0.320 58.307 58.100 -0.188 0.000 1.246 312 Y CB -0.336 38.044 38.460 -0.133 0.000 1.353 312 Y HN 0.409 nan 8.280 nan 0.000 0.558 313 S N 0.562 115.832 115.700 -0.716 0.000 2.383 313 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 313 S C 1.838 176.273 174.600 -0.273 0.000 1.030 313 S CA 1.429 59.159 58.200 -0.784 0.000 1.002 313 S CB -1.119 61.578 63.200 -0.838 0.000 0.829 313 S HN 0.637 nan 8.310 nan 0.000 0.467 314 G N -0.489 108.303 108.800 -0.013 0.000 3.181 314 G HA2 0.269 4.229 3.960 -0.000 0.000 0.219 314 G HA3 0.269 4.229 3.960 -0.000 0.000 0.219 314 G C 0.632 175.587 174.900 0.091 0.000 1.182 314 G CA 0.514 45.750 45.100 0.226 0.000 0.791 314 G HN 0.533 nan 8.290 nan 0.000 0.537 315 T N 1.020 115.399 114.554 -0.292 0.000 3.380 315 T HA 0.257 4.607 4.350 -0.000 0.000 0.289 315 T C 1.128 175.729 174.700 -0.165 0.000 1.012 315 T CA 0.167 62.024 62.100 -0.405 0.000 0.944 315 T CB -0.551 67.677 68.868 -1.067 0.000 1.172 315 T HN 0.322 nan 8.240 nan 0.000 0.502 316 T N -0.082 114.414 114.554 -0.096 0.000 2.795 316 T HA 0.245 4.595 4.350 -0.000 0.000 0.314 316 T C 1.737 176.398 174.700 -0.065 0.000 1.069 316 T CA -0.539 61.544 62.100 -0.030 0.000 1.071 316 T CB 0.489 69.345 68.868 -0.020 0.000 0.988 316 T HN 0.217 nan 8.240 nan 0.000 0.543 317 L N 0.327 121.529 121.223 -0.034 0.000 2.141 317 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 317 L C 2.563 179.416 176.870 -0.028 0.000 1.094 317 L CA 1.312 56.134 54.840 -0.030 0.000 0.763 317 L CB -0.624 41.417 42.059 -0.029 0.000 0.908 317 L HN 0.720 nan 8.230 nan 0.000 0.437 318 D N 0.615 120.987 120.400 -0.047 0.000 2.097 318 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 318 D C 2.225 178.438 176.300 -0.146 0.000 0.989 318 D CA 1.621 55.583 54.000 -0.063 0.000 0.827 318 D CB 0.047 40.819 40.800 -0.047 0.000 0.966 318 D HN 0.336 nan 8.370 nan 0.000 0.456 319 A N 1.026 123.706 122.820 -0.233 0.000 1.930 319 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 319 A C 2.156 179.247 177.584 -0.823 0.000 1.175 319 A CA 1.233 52.960 52.037 -0.518 0.000 0.627 319 A CB -0.566 18.149 19.000 -0.476 0.000 0.815 319 A HN 0.196 nan 8.150 nan 0.000 0.443 320 Q N -0.892 118.667 119.800 -0.402 0.000 2.124 320 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 320 Q C 2.125 178.138 176.000 0.022 0.000 0.977 320 Q CA 1.792 57.525 55.803 -0.116 0.000 0.850 320 Q CB -0.365 28.429 28.738 0.094 0.000 0.901 320 Q HN 0.681 nan 8.270 nan 0.000 0.429 321 T N 0.810 115.381 114.554 0.027 0.000 2.708 321 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 321 T C 1.723 176.352 174.700 -0.119 0.000 1.037 321 T CA 1.164 63.256 62.100 -0.013 0.000 1.146 321 T CB -0.136 68.761 68.868 0.048 0.000 0.865 321 T HN 0.283 nan 8.240 nan 0.000 0.435 322 R N -0.060 120.358 120.500 -0.136 0.000 2.081 322 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 322 R C 2.363 178.687 176.300 0.040 0.000 1.131 322 R CA 1.347 57.397 56.100 -0.084 0.000 0.960 322 R CB -0.492 29.746 30.300 -0.105 0.000 0.856 322 R HN 0.417 nan 8.270 nan 0.000 0.436 323 Y N 0.803 121.104 120.300 0.003 0.000 2.181 323 Y HA -0.100 4.450 4.550 -0.000 0.000 0.288 323 Y C 2.594 178.471 175.900 -0.038 0.000 1.146 323 Y CA 0.374 58.481 58.100 0.012 0.000 1.164 323 Y CB -1.122 37.375 38.460 0.061 0.000 0.982 323 Y HN 0.085 nan 8.280 nan 0.000 0.515 324 A N 0.188 123.055 122.820 0.077 0.000 1.851 324 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 324 A C 2.210 179.705 177.584 -0.150 0.000 1.195 324 A CA 2.102 54.072 52.037 -0.113 0.000 0.622 324 A CB -0.983 17.759 19.000 -0.431 0.000 0.831 324 A HN 0.525 nan 8.150 nan 0.000 0.444 325 Q N -0.927 118.771 119.800 -0.170 0.000 2.077 325 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 325 Q C 2.249 178.192 176.000 -0.094 0.000 0.989 325 Q CA 1.422 57.132 55.803 -0.155 0.000 0.853 325 Q CB -0.558 28.106 28.738 -0.123 0.000 0.907 325 Q HN 0.706 nan 8.270 nan 0.000 0.418 326 G N 0.122 108.909 108.800 -0.022 0.000 2.446 326 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 326 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 326 G C 1.386 176.287 174.900 0.003 0.000 1.168 326 G CA 1.435 46.544 45.100 0.015 0.000 0.771 326 G HN 0.290 nan 8.290 nan 0.000 0.551 327 T N 0.363 114.918 114.554 0.000 0.000 2.708 327 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 327 T C 2.219 176.901 174.700 -0.030 0.000 1.037 327 T CA 1.592 63.688 62.100 -0.006 0.000 1.146 327 T CB -0.166 68.708 68.868 0.010 0.000 0.865 327 T HN 0.420 nan 8.240 nan 0.000 0.435 328 K N 1.018 121.352 120.400 -0.110 0.000 2.032 328 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 328 K C 2.107 178.602 176.600 -0.176 0.000 1.048 328 K CA 1.521 57.649 56.287 -0.265 0.000 0.927 328 K CB -0.100 32.104 32.500 -0.492 0.000 0.712 328 K HN 0.160 nan 8.250 nan 0.000 0.441 329 N N 0.891 119.529 118.700 -0.103 0.000 2.166 329 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 329 N C 1.868 177.419 175.510 0.069 0.000 1.019 329 N CA 1.362 54.400 53.050 -0.021 0.000 0.856 329 N CB -0.220 38.262 38.487 -0.008 0.000 0.993 329 N HN 0.281 nan 8.380 nan 0.000 0.426 330 I N 0.945 121.568 120.570 0.087 0.000 2.163 330 I HA -0.217 3.952 4.170 -0.000 0.000 0.240 330 I C 2.099 178.312 176.117 0.160 0.000 1.081 330 I CA 0.797 62.209 61.300 0.185 0.000 1.353 330 I CB -0.261 37.782 38.000 0.071 0.000 1.054 330 I HN 0.040 nan 8.210 nan 0.000 0.407 331 L N 0.319 121.561 121.223 0.031 0.000 2.042 331 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 331 L C 2.592 179.349 176.870 -0.189 0.000 1.076 331 L CA 1.495 56.234 54.840 -0.168 0.000 0.749 331 L CB -0.602 41.479 42.059 0.036 0.000 0.893 331 L HN 0.270 nan 8.230 nan 0.000 0.432 332 E N 0.177 120.503 120.200 0.210 0.000 2.031 332 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 332 E C 2.242 178.911 176.600 0.115 0.000 0.994 332 E CA 1.718 58.317 56.400 0.332 0.000 0.800 332 E CB -0.061 29.816 29.700 0.294 0.000 0.752 332 E HN 0.224 nan 8.360 nan 0.000 0.447 333 S N -0.414 115.316 115.700 0.050 0.000 2.392 333 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 333 S C 1.580 176.061 174.600 -0.200 0.000 1.041 333 S CA 1.336 59.475 58.200 -0.102 0.000 1.026 333 S CB -0.513 62.613 63.200 -0.123 0.000 0.845 333 S HN 0.424 nan 8.310 nan 0.000 0.465 334 F N 1.115 120.962 119.950 -0.171 0.000 2.098 334 F HA 0.065 4.592 4.527 -0.000 0.000 0.294 334 F C 1.737 177.429 175.800 -0.180 0.000 1.107 334 F CA 1.126 59.053 58.000 -0.122 0.000 1.234 334 F CB -0.521 38.430 39.000 -0.081 0.000 1.002 334 F HN 0.191 nan 8.300 nan 0.000 0.472 335 F N 0.302 120.245 119.950 -0.012 0.000 2.171 335 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 335 F C 2.504 178.177 175.800 -0.212 0.000 1.090 335 F CA 1.184 59.122 58.000 -0.104 0.000 1.293 335 F CB -0.860 38.183 39.000 0.071 0.000 1.013 335 F HN 0.066 nan 8.300 nan 0.000 0.486 336 T N -2.722 111.812 114.554 -0.033 0.000 3.148 336 T HA 0.274 4.624 4.350 -0.000 0.000 0.253 336 T C 1.730 176.251 174.700 -0.297 0.000 1.134 336 T CA 0.541 62.576 62.100 -0.109 0.000 1.051 336 T CB -0.075 68.760 68.868 -0.056 0.000 0.959 336 T HN 0.481 nan 8.240 nan 0.000 0.525 337 G N 1.738 110.185 108.800 -0.589 0.000 2.196 337 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.268 337 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.268 337 G C 0.919 175.256 174.900 -0.939 0.000 0.975 337 G CA 0.765 45.321 45.100 -0.907 0.000 0.648 337 G HN 0.579 nan 8.290 nan 0.000 0.538 338 K N -0.796 119.208 120.400 -0.660 0.000 2.103 338 K HA 0.213 4.533 4.320 -0.000 0.000 0.204 338 K C 1.117 177.507 176.600 -0.350 0.000 1.052 338 K CA 0.719 56.776 56.287 -0.383 0.000 0.945 338 K CB -0.173 32.188 32.500 -0.232 0.000 0.722 338 K HN 0.630 nan 8.250 nan 0.000 0.443 339 F N 1.851 121.599 119.950 -0.336 0.000 3.090 339 F HA -0.188 4.339 4.527 -0.000 0.000 0.282 339 F C -0.118 175.285 175.800 -0.661 0.000 0.923 339 F CA 0.484 58.073 58.000 -0.685 0.000 0.977 339 F CB -1.958 36.822 39.000 -0.366 0.000 0.954 339 F HN 0.256 nan 8.300 nan 0.000 0.695 340 D N -0.061 120.138 120.400 -0.335 0.000 3.032 340 D HA 0.054 4.694 4.640 -0.000 0.000 0.241 340 D C 0.080 176.339 176.300 -0.069 0.000 1.196 340 D CA -0.184 53.731 54.000 -0.142 0.000 0.927 340 D CB -0.657 40.093 40.800 -0.083 0.000 1.129 340 D HN 0.438 nan 8.370 nan 0.000 0.458 341 Y N 0.526 120.884 120.300 0.098 0.000 2.457 341 Y HA 0.108 4.658 4.550 -0.000 0.000 0.341 341 Y C 1.665 177.596 175.900 0.052 0.000 1.240 341 Y CA -0.749 57.395 58.100 0.074 0.000 1.437 341 Y CB 0.719 39.228 38.460 0.082 0.000 1.328 341 Y HN -0.235 nan 8.280 nan 0.000 0.588 342 R N 3.299 123.926 120.500 0.212 0.000 2.522 342 R HA -0.002 4.338 4.340 -0.000 0.000 0.284 342 R C -1.880 174.494 176.300 0.122 0.000 1.032 342 R CA -1.224 54.951 56.100 0.125 0.000 1.049 342 R CB -0.048 30.306 30.300 0.089 0.000 0.956 342 R HN 0.459 nan 8.270 nan 0.000 0.422 343 P HA -0.228 nan 4.420 nan 0.000 0.216 343 P C 1.116 178.451 177.300 0.057 0.000 1.150 343 P CA 1.100 64.248 63.100 0.079 0.000 0.837 343 P CB 0.131 31.867 31.700 0.059 0.000 0.786 344 Q N -0.550 119.279 119.800 0.048 0.000 2.364 344 Q HA -0.148 4.192 4.340 -0.000 0.000 0.207 344 Q C 0.661 176.678 176.000 0.029 0.000 0.970 344 Q CA 1.491 57.316 55.803 0.036 0.000 0.888 344 Q CB -0.928 27.830 28.738 0.034 0.000 0.951 344 Q HN 0.235 nan 8.270 nan 0.000 0.469 345 D N 1.086 121.503 120.400 0.029 0.000 2.289 345 D HA 0.161 4.801 4.640 -0.000 0.000 0.207 345 D C 0.336 176.605 176.300 -0.051 0.000 0.966 345 D CA 0.205 54.203 54.000 -0.004 0.000 0.868 345 D CB 0.197 40.999 40.800 0.004 0.000 0.943 345 D HN 0.293 nan 8.370 nan 0.000 0.514 346 I N 1.442 121.991 120.570 -0.035 0.000 2.452 346 I HA 0.038 4.208 4.170 -0.000 0.000 0.287 346 I C 1.392 177.495 176.117 -0.024 0.000 1.079 346 I CA -0.107 61.152 61.300 -0.068 0.000 1.387 346 I CB 1.086 39.075 38.000 -0.018 0.000 1.404 346 I HN -0.172 nan 8.210 nan 0.000 0.522 347 I N 6.101 126.643 120.570 -0.046 0.000 2.499 347 I HA 0.087 4.257 4.170 -0.000 0.000 0.243 347 I C 0.387 176.511 176.117 0.011 0.000 1.085 347 I CA 0.704 62.013 61.300 0.016 0.000 1.422 347 I CB 0.166 38.163 38.000 -0.005 0.000 1.165 347 I HN 0.342 nan 8.210 nan 0.000 0.440 348 L N 1.567 122.729 121.223 -0.102 0.000 2.386 348 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 348 L C -1.294 175.493 176.870 -0.139 0.000 0.993 348 L CA -0.720 54.015 54.840 -0.175 0.000 0.819 348 L CB 2.792 44.690 42.059 -0.268 0.000 1.294 348 L HN 0.038 nan 8.230 nan 0.000 0.414 349 L N 4.454 125.614 121.223 -0.104 0.000 2.294 349 L HA 0.465 4.805 4.340 -0.000 0.000 0.283 349 L C 0.135 176.952 176.870 -0.089 0.000 1.015 349 L CA 0.045 54.842 54.840 -0.070 0.000 0.831 349 L CB 0.680 42.736 42.059 -0.006 0.000 1.217 349 L HN 0.561 nan 8.230 nan 0.000 0.420 350 N N 4.709 123.350 118.700 -0.097 0.000 2.707 350 N HA -0.248 4.492 4.740 -0.000 0.000 0.253 350 N C 1.007 176.446 175.510 -0.118 0.000 0.998 350 N CA 1.187 54.176 53.050 -0.102 0.000 0.751 350 N CB -0.920 37.507 38.487 -0.100 0.000 0.920 350 N HN 1.193 nan 8.380 nan 0.000 0.539 351 G N -1.167 107.541 108.800 -0.153 0.000 2.199 351 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.254 351 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.254 351 G C -0.077 174.677 174.900 -0.242 0.000 0.982 351 G CA 0.578 45.560 45.100 -0.196 0.000 0.632 351 G HN 0.503 nan 8.290 nan 0.000 0.529 352 E N 0.110 120.195 120.200 -0.191 0.000 2.156 352 E HA 0.639 4.989 4.350 -0.000 0.000 0.279 352 E C 0.374 176.880 176.600 -0.156 0.000 0.965 352 E CA -0.703 55.604 56.400 -0.155 0.000 0.789 352 E CB 0.476 30.136 29.700 -0.068 0.000 1.098 352 E HN 0.377 nan 8.360 nan 0.000 0.397 353 Y N 0.000 120.279 120.300 -0.035 0.000 2.660 353 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 353 Y CA 0.000 58.082 58.100 -0.030 0.000 1.940 353 Y CB 0.000 38.442 38.460 -0.029 0.000 1.050 353 Y HN 0.000 nan 8.280 nan 0.000 0.758