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 1dgf_1_C DATA FIRST_RESID 5 DATA SEQUENCE RDPASDQMQH WKEQRAAQKA DVLTTGAGNP VGDKLNVITV GPRGPLLVQD DATA SEQUENCE VVFTDEMAHF DRERIPERVV HAKGAGAFGY FEVTHDITKY SKAKVFEHIG DATA SEQUENCE KKTPIAVRFS TVAGESGSAD TVRDPRGFAV KFYTEDGNWD LVGNNTPIFF DATA SEQUENCE IRDPILFPSF IHSQKRNPQT HLKDPDMVWD FWSLRPESLH QVSFLFSDRG DATA SEQUENCE IPDGHRHMNG YGSHTFKLVN ANGEAVYCKF HYKTDQGIKN LSVEDAARLS DATA SEQUENCE QEDPDYGIRD LFNAIATGKY PSWTFYIQVM TFNQAETFPF NPFDLTKVWP DATA SEQUENCE HKDYPLIPVG KLVLNRNPVN YFAEVEQIAF DPSNMPPGIE ASPDKMLQGR DATA SEQUENCE LFAYPDTHRH RLGPNYLHIP VNCPYRARVA NYQRDGPMCM QDNQGGAPNY DATA SEQUENCE YPNSFGAPEQ QPSALEHSIQ YSGEVRRFNT ANDDNVTQVR AFYVNVLNEE DATA SEQUENCE QRKRLCENIA GHLKDAQIFI QKKAVKNFTE VHPDYGSHIQ ALLDKYN 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.336 176.300 0.059 0.000 0.893 5 R CA 0.000 56.121 56.100 0.035 0.000 0.921 5 R CB 0.000 30.309 30.300 0.016 0.000 0.687 6 D N 1.056 121.493 120.400 0.060 0.000 2.358 6 D HA 0.113 4.753 4.640 -0.000 0.000 0.244 6 D C -1.923 174.457 176.300 0.133 0.000 1.163 6 D CA -1.311 52.744 54.000 0.091 0.000 0.945 6 D CB 0.952 41.800 40.800 0.079 0.000 1.152 6 D HN 0.034 nan 8.370 nan 0.000 0.451 7 P HA -0.155 nan 4.420 nan 0.000 0.216 7 P C 1.376 178.864 177.300 0.313 0.000 1.153 7 P CA 2.359 65.654 63.100 0.326 0.000 0.858 7 P CB -0.037 31.867 31.700 0.340 0.000 0.789 8 A N -0.695 122.277 122.820 0.255 0.000 1.883 8 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 8 A C 2.373 179.918 177.584 -0.065 0.000 1.186 8 A CA 2.356 54.381 52.037 -0.020 0.000 0.624 8 A CB -1.595 17.353 19.000 -0.086 0.000 0.822 8 A HN 0.130 nan 8.150 nan 0.000 0.444 9 S N 0.052 115.742 115.700 -0.017 0.000 2.382 9 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 9 S C 0.952 175.512 174.600 -0.066 0.000 1.027 9 S CA 1.288 59.465 58.200 -0.040 0.000 0.991 9 S CB -0.301 62.889 63.200 -0.017 0.000 0.823 9 S HN 0.578 nan 8.310 nan 0.000 0.469 10 D N 1.054 121.399 120.400 -0.091 0.000 2.325 10 D HA 0.047 4.687 4.640 -0.000 0.000 0.234 10 D C 1.683 177.811 176.300 -0.285 0.000 1.122 10 D CA -0.001 53.837 54.000 -0.269 0.000 0.850 10 D CB -0.110 40.383 40.800 -0.511 0.000 0.921 10 D HN 0.281 nan 8.370 nan 0.000 0.513 11 Q N 0.516 120.280 119.800 -0.060 0.000 2.014 11 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 11 Q C 1.860 177.917 176.000 0.096 0.000 0.993 11 Q CA 1.251 57.094 55.803 0.067 0.000 0.850 11 Q CB -0.046 28.700 28.738 0.013 0.000 0.916 11 Q HN 0.343 nan 8.270 nan 0.000 0.417 12 M N 0.032 119.648 119.600 0.026 0.000 2.117 12 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 12 M C 2.252 178.635 176.300 0.138 0.000 1.065 12 M CA 1.658 56.998 55.300 0.067 0.000 1.114 12 M CB -0.301 32.293 32.600 -0.010 0.000 1.361 12 M HN 0.155 nan 8.290 nan 0.000 0.408 13 Q N 0.309 120.126 119.800 0.027 0.000 2.061 13 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 13 Q C 1.548 177.623 176.000 0.126 0.000 0.984 13 Q CA 2.056 57.874 55.803 0.025 0.000 0.846 13 Q CB -0.419 28.262 28.738 -0.095 0.000 0.902 13 Q HN 0.630 nan 8.270 nan 0.000 0.421 14 H N -2.367 116.794 119.070 0.152 0.000 2.389 14 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 14 H C 1.416 176.845 175.328 0.168 0.000 1.081 14 H CA 0.844 56.976 56.048 0.140 0.000 1.345 14 H CB -0.220 29.629 29.762 0.145 0.000 1.393 14 H HN 0.407 nan 8.280 nan 0.000 0.520 15 W N 2.573 123.969 121.300 0.159 0.000 2.358 15 W HA -0.175 4.485 4.660 -0.000 0.000 0.303 15 W C 2.539 179.101 176.519 0.072 0.000 1.208 15 W CA 1.578 58.984 57.345 0.102 0.000 1.274 15 W CB 0.077 29.583 29.460 0.077 0.000 1.138 15 W HN -0.033 nan 8.180 nan 0.000 0.515 16 K N 0.554 121.196 120.400 0.403 0.000 2.026 16 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 16 K C 1.794 178.421 176.600 0.046 0.000 1.048 16 K CA 2.108 58.538 56.287 0.238 0.000 0.929 16 K CB -0.442 32.201 32.500 0.238 0.000 0.713 16 K HN 0.211 nan 8.250 nan 0.000 0.439 17 E N 0.424 120.671 120.200 0.079 0.000 2.153 17 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 17 E C 2.102 178.686 176.600 -0.028 0.000 0.988 17 E CA 1.156 57.581 56.400 0.042 0.000 0.811 17 E CB 0.046 29.804 29.700 0.098 0.000 0.746 17 E HN 0.430 nan 8.360 nan 0.000 0.466 18 Q N -0.015 119.740 119.800 -0.075 0.000 2.364 18 Q HA -0.056 4.284 4.340 -0.000 0.000 0.207 18 Q C 1.196 177.069 176.000 -0.212 0.000 0.970 18 Q CA 0.727 56.445 55.803 -0.143 0.000 0.888 18 Q CB 0.154 28.787 28.738 -0.175 0.000 0.951 18 Q HN 0.105 nan 8.270 nan 0.000 0.469 19 R N -0.972 119.372 120.500 -0.259 0.000 2.577 19 R HA 0.273 4.613 4.340 -0.000 0.000 0.344 19 R C 1.483 177.703 176.300 -0.134 0.000 1.037 19 R CA 0.205 56.151 56.100 -0.256 0.000 1.102 19 R CB 0.492 30.524 30.300 -0.447 0.000 1.313 19 R HN 0.072 nan 8.270 nan 0.000 0.561 20 A N 1.294 124.064 122.820 -0.084 0.000 1.948 20 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 20 A C 1.909 179.472 177.584 -0.035 0.000 1.177 20 A CA 1.991 54.005 52.037 -0.038 0.000 0.636 20 A CB -0.255 18.734 19.000 -0.019 0.000 0.815 20 A HN 0.339 nan 8.150 nan 0.000 0.449 21 A N -1.053 121.740 122.820 -0.046 0.000 2.476 21 A HA 0.431 4.751 4.320 -0.000 0.000 0.263 21 A C 0.393 177.953 177.584 -0.040 0.000 1.342 21 A CA -0.181 51.834 52.037 -0.037 0.000 0.926 21 A CB -0.216 18.762 19.000 -0.036 0.000 1.019 21 A HN 0.625 nan 8.150 nan 0.000 0.515 22 Q N -0.271 119.502 119.800 -0.045 0.000 2.379 22 Q HA 0.334 4.674 4.340 -0.000 0.000 0.278 22 Q C -0.774 175.213 176.000 -0.022 0.000 1.068 22 Q CA -0.801 54.978 55.803 -0.040 0.000 0.816 22 Q CB 2.310 31.009 28.738 -0.065 0.000 1.387 22 Q HN 0.389 nan 8.270 nan 0.000 0.413 23 K N 0.754 121.148 120.400 -0.011 0.000 2.202 23 K HA 0.532 4.852 4.320 -0.000 0.000 0.264 23 K C -0.501 176.108 176.600 0.016 0.000 1.010 23 K CA -0.109 56.181 56.287 0.005 0.000 0.940 23 K CB 0.857 33.359 32.500 0.005 0.000 0.983 23 K HN 0.713 nan 8.250 nan 0.000 0.475 24 A N 3.345 126.186 122.820 0.035 0.000 2.445 24 A HA 0.072 4.392 4.320 -0.000 0.000 0.242 24 A C -0.304 177.311 177.584 0.052 0.000 1.075 24 A CA -0.250 51.824 52.037 0.062 0.000 0.777 24 A CB 0.154 19.199 19.000 0.075 0.000 1.013 24 A HN 0.851 nan 8.150 nan 0.000 0.493 25 D N 0.279 120.720 120.400 0.069 0.000 2.368 25 D HA 0.245 4.885 4.640 -0.000 0.000 0.240 25 D C 0.093 176.417 176.300 0.040 0.000 1.169 25 D CA 0.165 54.196 54.000 0.051 0.000 0.906 25 D CB 0.903 41.742 40.800 0.065 0.000 1.187 25 D HN 0.191 nan 8.370 nan 0.000 0.435 26 V N 2.311 122.241 119.914 0.027 0.000 2.508 26 V HA 0.032 4.152 4.120 -0.000 0.000 0.281 26 V C 0.753 176.857 176.094 0.017 0.000 1.041 26 V CA -0.386 61.926 62.300 0.019 0.000 1.016 26 V CB 0.949 32.779 31.823 0.013 0.000 0.984 26 V HN 0.331 nan 8.190 nan 0.000 0.478 27 L N 6.461 127.693 121.223 0.014 0.000 2.410 27 L HA 0.373 4.713 4.340 -0.000 0.000 0.273 27 L C 0.608 177.479 176.870 0.002 0.000 1.144 27 L CA 0.239 55.083 54.840 0.007 0.000 0.863 27 L CB 0.945 43.007 42.059 0.005 0.000 1.140 27 L HN 0.986 nan 8.230 nan 0.000 0.463 28 T N -0.123 114.428 114.554 -0.005 0.000 2.907 28 T HA 0.562 4.912 4.350 -0.000 0.000 0.290 28 T C 0.152 174.842 174.700 -0.018 0.000 1.066 28 T CA -0.327 61.768 62.100 -0.008 0.000 1.012 28 T CB 1.659 70.522 68.868 -0.007 0.000 1.184 28 T HN 0.621 nan 8.240 nan 0.000 0.522 29 T N -1.564 112.981 114.554 -0.015 0.000 2.770 29 T HA 0.460 4.810 4.350 -0.000 0.000 0.281 29 T C 1.823 176.503 174.700 -0.033 0.000 0.981 29 T CA -0.089 61.998 62.100 -0.022 0.000 0.955 29 T CB -0.063 68.798 68.868 -0.010 0.000 1.060 29 T HN 0.939 nan 8.240 nan 0.000 0.531 30 G N -0.345 108.431 108.800 -0.041 0.000 2.432 30 G HA2 0.081 4.041 3.960 -0.000 0.000 0.219 30 G HA3 0.081 4.041 3.960 -0.000 0.000 0.219 30 G C 1.428 176.313 174.900 -0.025 0.000 1.135 30 G CA 0.437 45.508 45.100 -0.049 0.000 0.767 30 G HN 1.089 nan 8.290 nan 0.000 0.550 31 A N -0.272 122.540 122.820 -0.014 0.000 2.302 31 A HA 0.488 4.808 4.320 -0.000 0.000 0.219 31 A C 1.953 179.534 177.584 -0.006 0.000 1.243 31 A CA 1.137 53.170 52.037 -0.006 0.000 0.856 31 A CB -0.550 18.449 19.000 -0.000 0.000 0.893 31 A HN 1.533 nan 8.150 nan 0.000 0.491 32 G N -0.364 108.430 108.800 -0.010 0.000 2.159 32 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 32 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 32 G C -0.085 174.813 174.900 -0.003 0.000 0.977 32 G CA 0.175 45.271 45.100 -0.007 0.000 0.652 32 G HN 0.685 nan 8.290 nan 0.000 0.531 33 N N 2.030 120.728 118.700 -0.002 0.000 2.470 33 N HA 0.467 5.207 4.740 -0.000 0.000 0.268 33 N C -2.613 172.898 175.510 0.001 0.000 1.136 33 N CA -1.323 51.728 53.050 0.001 0.000 0.961 33 N CB 0.987 39.476 38.487 0.003 0.000 1.067 33 N HN 0.102 nan 8.380 nan 0.000 0.468 34 P HA -0.035 nan 4.420 nan 0.000 0.265 34 P C -0.720 176.583 177.300 0.006 0.000 1.193 34 P CA 0.040 63.142 63.100 0.004 0.000 0.765 34 P CB 0.649 32.352 31.700 0.005 0.000 0.823 35 V N 3.605 123.522 119.914 0.006 0.000 2.394 35 V HA 0.315 4.435 4.120 -0.000 0.000 0.282 35 V C 1.547 177.646 176.094 0.009 0.000 1.031 35 V CA 0.425 62.730 62.300 0.008 0.000 0.881 35 V CB 0.983 32.811 31.823 0.008 0.000 0.982 35 V HN 0.796 nan 8.190 nan 0.000 0.451 36 G N 2.910 111.716 108.800 0.010 0.000 2.396 36 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.214 36 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.214 36 G C 0.222 175.127 174.900 0.008 0.000 1.166 36 G CA 0.615 45.720 45.100 0.009 0.000 0.793 36 G HN 0.659 nan 8.290 nan 0.000 0.533 37 D N -1.286 119.121 120.400 0.011 0.000 2.613 37 D HA 0.197 4.837 4.640 -0.000 0.000 0.230 37 D C -0.359 175.950 176.300 0.015 0.000 1.365 37 D CA -0.539 53.466 54.000 0.010 0.000 0.976 37 D CB 1.167 41.971 40.800 0.006 0.000 1.415 37 D HN -0.021 nan 8.370 nan 0.000 0.589 38 K N 3.870 124.278 120.400 0.014 0.000 2.576 38 K HA 0.279 4.599 4.320 -0.000 0.000 0.209 38 K C 0.502 177.112 176.600 0.017 0.000 1.049 38 K CA -0.086 56.213 56.287 0.021 0.000 1.140 38 K CB 0.310 32.818 32.500 0.013 0.000 0.871 38 K HN 0.478 nan 8.250 nan 0.000 0.479 39 L N -0.301 120.928 121.223 0.010 0.000 2.781 39 L HA 0.240 4.580 4.340 -0.000 0.000 0.245 39 L C -0.202 176.665 176.870 -0.004 0.000 1.118 39 L CA -0.060 54.781 54.840 0.001 0.000 0.918 39 L CB 0.432 42.488 42.059 -0.004 0.000 1.246 39 L HN 0.052 nan 8.230 nan 0.000 0.526 40 N N 0.237 118.935 118.700 -0.004 0.000 2.287 40 N HA 0.373 5.113 4.740 -0.000 0.000 0.289 40 N C -0.720 174.775 175.510 -0.025 0.000 1.066 40 N CA -0.248 52.789 53.050 -0.021 0.000 0.841 40 N CB 3.352 41.826 38.487 -0.022 0.000 1.599 40 N HN -0.203 nan 8.380 nan 0.000 0.476 41 V N -0.774 119.100 119.914 -0.067 0.000 3.170 41 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 41 V C 0.612 176.661 176.094 -0.074 0.000 1.071 41 V CA -0.733 61.509 62.300 -0.096 0.000 1.063 41 V CB 0.618 32.284 31.823 -0.262 0.000 1.123 41 V HN 0.482 nan 8.190 nan 0.000 0.464 42 I N 2.998 123.532 120.570 -0.060 0.000 2.396 42 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 42 I C 0.603 176.686 176.117 -0.057 0.000 1.056 42 I CA 0.254 61.530 61.300 -0.041 0.000 1.365 42 I CB 1.053 39.043 38.000 -0.016 0.000 1.407 42 I HN 1.030 nan 8.210 nan 0.000 0.509 43 T N 2.031 116.556 114.554 -0.048 0.000 2.887 43 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 43 T C -0.338 174.342 174.700 -0.032 0.000 1.087 43 T CA -0.822 61.249 62.100 -0.049 0.000 1.009 43 T CB 1.838 70.672 68.868 -0.056 0.000 1.203 43 T HN 0.114 nan 8.240 nan 0.000 0.518 44 V N 2.286 122.182 119.914 -0.029 0.000 2.287 44 V HA 0.576 4.696 4.120 -0.000 0.000 0.246 44 V C 1.314 177.395 176.094 -0.021 0.000 1.165 44 V CA 0.695 62.982 62.300 -0.021 0.000 1.088 44 V CB -1.050 30.762 31.823 -0.018 0.000 1.242 44 V HN 1.516 nan 8.190 nan 0.000 0.497 45 G N 6.771 115.559 108.800 -0.019 0.000 2.795 45 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.664 45 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.664 45 G C -1.266 173.621 174.900 -0.022 0.000 1.381 45 G CA -0.218 44.872 45.100 -0.018 0.000 0.853 45 G HN 0.475 nan 8.290 nan 0.000 0.545 46 P HA -0.074 nan 4.420 nan 0.000 0.220 46 P C 0.993 178.277 177.300 -0.026 0.000 1.148 46 P CA 1.270 64.356 63.100 -0.023 0.000 0.803 46 P CB 0.115 31.804 31.700 -0.018 0.000 0.782 47 R N -0.149 120.336 120.500 -0.024 0.000 2.700 47 R HA 0.392 4.732 4.340 -0.000 0.000 0.399 47 R C 0.786 177.070 176.300 -0.026 0.000 1.115 47 R CA -0.279 55.806 56.100 -0.025 0.000 1.058 47 R CB 1.018 31.306 30.300 -0.020 0.000 1.389 47 R HN 0.120 nan 8.270 nan 0.000 0.582 48 G N 1.463 110.245 108.800 -0.029 0.000 2.509 48 G HA2 0.473 4.433 3.960 -0.000 0.000 0.328 48 G HA3 0.473 4.433 3.960 -0.000 0.000 0.328 48 G C -2.438 172.440 174.900 -0.038 0.000 1.194 48 G CA -1.246 43.836 45.100 -0.029 0.000 0.967 48 G HN -0.116 nan 8.290 nan 0.000 0.488 49 P HA 0.218 nan 4.420 nan 0.000 0.274 49 P C -0.502 176.766 177.300 -0.054 0.000 1.246 49 P CA -0.582 62.492 63.100 -0.043 0.000 0.795 49 P CB 1.216 32.898 31.700 -0.030 0.000 1.006 50 L N 1.485 122.664 121.223 -0.073 0.000 2.380 50 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 50 L C -0.404 176.435 176.870 -0.052 0.000 1.138 50 L CA -0.106 54.677 54.840 -0.094 0.000 0.832 50 L CB -0.284 41.678 42.059 -0.163 0.000 1.124 50 L HN 0.128 nan 8.230 nan 0.000 0.454 51 L N 5.914 127.113 121.223 -0.040 0.000 2.325 51 L HA 0.233 4.573 4.340 -0.000 0.000 0.279 51 L C 1.278 178.161 176.870 0.021 0.000 1.054 51 L CA -0.228 54.608 54.840 -0.007 0.000 0.804 51 L CB 1.479 43.536 42.059 -0.004 0.000 1.200 51 L HN 0.554 nan 8.230 nan 0.000 0.436 52 V N 2.581 122.514 119.914 0.031 0.000 2.490 52 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 52 V C 2.293 178.421 176.094 0.056 0.000 1.061 52 V CA 1.714 64.046 62.300 0.053 0.000 1.064 52 V CB -0.525 31.322 31.823 0.040 0.000 0.670 52 V HN 0.969 nan 8.190 nan 0.000 0.461 53 Q N 0.160 119.983 119.800 0.039 0.000 2.541 53 Q HA -0.138 4.202 4.340 -0.000 0.000 0.215 53 Q C 0.638 176.667 176.000 0.048 0.000 0.977 53 Q CA 0.976 56.801 55.803 0.037 0.000 0.934 53 Q CB -0.357 28.395 28.738 0.023 0.000 0.988 53 Q HN 0.516 nan 8.270 nan 0.000 0.521 54 D N 1.146 121.586 120.400 0.066 0.000 2.508 54 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 54 D C 0.580 176.961 176.300 0.134 0.000 1.171 54 D CA -0.227 53.828 54.000 0.092 0.000 1.006 54 D CB 0.932 41.789 40.800 0.094 0.000 1.073 54 D HN 0.008 nan 8.370 nan 0.000 0.513 55 V N 3.033 122.998 119.914 0.085 0.000 2.719 55 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 55 V C 2.421 178.549 176.094 0.056 0.000 1.065 55 V CA 0.664 63.002 62.300 0.065 0.000 1.086 55 V CB 0.113 31.960 31.823 0.039 0.000 0.700 55 V HN 0.405 nan 8.190 nan 0.000 0.467 56 V N -0.216 119.739 119.914 0.069 0.000 2.343 56 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 56 V C 2.154 178.287 176.094 0.066 0.000 1.051 56 V CA 2.490 64.823 62.300 0.055 0.000 1.036 56 V CB -0.724 31.135 31.823 0.060 0.000 0.654 56 V HN 0.599 nan 8.190 nan 0.000 0.451 57 F N 1.614 121.562 119.950 -0.003 0.000 2.075 57 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 57 F C 2.470 178.275 175.800 0.009 0.000 1.113 57 F CA 2.441 60.439 58.000 -0.004 0.000 1.218 57 F CB -0.873 38.122 39.000 -0.008 0.000 0.984 57 F HN 0.119 nan 8.300 nan 0.000 0.472 58 T N -0.246 114.201 114.554 -0.179 0.000 2.746 58 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 58 T C 1.493 176.077 174.700 -0.193 0.000 1.039 58 T CA 1.766 63.719 62.100 -0.244 0.000 1.142 58 T CB -0.639 68.224 68.868 -0.009 0.000 0.866 58 T HN 0.449 nan 8.240 nan 0.000 0.444 59 D N 0.821 121.163 120.400 -0.097 0.000 2.104 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 59 D C 2.156 178.420 176.300 -0.061 0.000 0.994 59 D CA 1.487 55.455 54.000 -0.053 0.000 0.830 59 D CB -0.104 40.680 40.800 -0.026 0.000 0.959 59 D HN 0.550 nan 8.370 nan 0.000 0.452 60 E N -1.180 118.954 120.200 -0.110 0.000 2.046 60 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 60 E C 2.000 178.544 176.600 -0.092 0.000 0.982 60 E CA 0.758 57.105 56.400 -0.088 0.000 0.800 60 E CB -0.142 29.500 29.700 -0.097 0.000 0.756 60 E HN 0.242 nan 8.360 nan 0.000 0.449 61 M N 0.930 120.349 119.600 -0.302 0.000 2.117 61 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 61 M C 2.024 178.288 176.300 -0.061 0.000 1.065 61 M CA 1.844 56.985 55.300 -0.266 0.000 1.114 61 M CB -0.407 31.768 32.600 -0.708 0.000 1.361 61 M HN 0.181 nan 8.290 nan 0.000 0.408 62 A N -1.184 121.577 122.820 -0.097 0.000 1.940 62 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 62 A C 2.330 179.908 177.584 -0.010 0.000 1.176 62 A CA 1.982 53.995 52.037 -0.040 0.000 0.631 62 A CB -1.283 17.695 19.000 -0.038 0.000 0.814 62 A HN 0.742 nan 8.150 nan 0.000 0.446 63 H N -1.973 117.076 119.070 -0.036 0.000 2.363 63 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 63 H C 1.909 177.227 175.328 -0.017 0.000 1.074 63 H CA 1.796 57.825 56.048 -0.031 0.000 1.354 63 H CB -0.285 29.459 29.762 -0.030 0.000 1.397 63 H HN 0.509 nan 8.280 nan 0.000 0.516 64 F N 2.245 122.188 119.950 -0.011 0.000 2.126 64 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 64 F C 1.840 177.584 175.800 -0.092 0.000 1.096 64 F CA 1.685 59.657 58.000 -0.046 0.000 1.255 64 F CB -0.332 38.638 39.000 -0.049 0.000 0.997 64 F HN 0.058 nan 8.300 nan 0.000 0.479 65 D N 0.152 120.492 120.400 -0.099 0.000 2.309 65 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 65 D C 1.640 177.795 176.300 -0.242 0.000 0.968 65 D CA 1.037 54.930 54.000 -0.178 0.000 0.882 65 D CB -0.248 40.527 40.800 -0.042 0.000 0.918 65 D HN 0.425 nan 8.370 nan 0.000 0.503 66 R N -0.053 120.278 120.500 -0.282 0.000 2.577 66 R HA 0.186 4.526 4.340 -0.000 0.000 0.344 66 R C 1.291 177.388 176.300 -0.339 0.000 1.037 66 R CA -0.127 55.802 56.100 -0.286 0.000 1.102 66 R CB 0.589 30.719 30.300 -0.283 0.000 1.313 66 R HN 0.139 nan 8.270 nan 0.000 0.561 67 E N 0.869 120.841 120.200 -0.379 0.000 2.110 67 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 67 E C 0.276 176.712 176.600 -0.273 0.000 0.988 67 E CA 0.915 57.097 56.400 -0.364 0.000 0.804 67 E CB 0.229 29.713 29.700 -0.360 0.000 0.745 67 E HN 0.093 nan 8.360 nan 0.000 0.458 68 R N 1.230 121.613 120.500 -0.193 0.000 2.441 68 R HA 0.353 4.693 4.340 -0.000 0.000 0.284 68 R C 0.497 176.792 176.300 -0.008 0.000 1.070 68 R CA -0.174 55.886 56.100 -0.067 0.000 1.047 68 R CB 0.553 30.808 30.300 -0.074 0.000 1.016 68 R HN 0.172 nan 8.270 nan 0.000 0.477 69 I N -1.207 119.412 120.570 0.081 0.000 3.002 69 I HA 0.593 4.763 4.170 -0.000 0.000 0.310 69 I C -2.303 173.830 176.117 0.027 0.000 1.087 69 I CA -3.000 58.331 61.300 0.051 0.000 1.017 69 I CB 1.916 39.979 38.000 0.106 0.000 1.226 69 I HN 0.237 nan 8.210 nan 0.000 0.443 70 P HA 0.106 nan 4.420 nan 0.000 0.265 70 P C -0.932 176.384 177.300 0.026 0.000 1.193 70 P CA -0.069 63.031 63.100 -0.000 0.000 0.765 70 P CB 0.434 32.113 31.700 -0.035 0.000 0.823 71 E N 2.564 122.793 120.200 0.049 0.000 2.371 71 E HA 0.205 4.555 4.350 -0.000 0.000 0.257 71 E C -0.464 176.171 176.600 0.059 0.000 1.134 71 E CA -0.870 55.566 56.400 0.060 0.000 0.919 71 E CB 0.608 30.350 29.700 0.069 0.000 1.025 71 E HN 0.252 nan 8.360 nan 0.000 0.438 72 R N 0.655 121.196 120.500 0.068 0.000 2.585 72 R HA -0.035 4.305 4.340 -0.000 0.000 0.275 72 R C 1.044 177.384 176.300 0.065 0.000 1.018 72 R CA 0.056 56.197 56.100 0.069 0.000 1.072 72 R CB 0.642 31.004 30.300 0.103 0.000 0.953 72 R HN 0.542 nan 8.270 nan 0.000 0.419 73 V N 3.838 123.780 119.914 0.046 0.000 2.469 73 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 73 V C 0.540 176.664 176.094 0.051 0.000 1.064 73 V CA 1.783 64.106 62.300 0.039 0.000 1.066 73 V CB 0.175 32.009 31.823 0.019 0.000 0.667 73 V HN 0.544 nan 8.190 nan 0.000 0.461 74 V N -4.467 115.509 119.914 0.103 0.000 3.114 74 V HA 0.582 4.702 4.120 -0.000 0.000 0.308 74 V C 0.199 176.458 176.094 0.275 0.000 1.168 74 V CA -0.649 61.745 62.300 0.157 0.000 1.015 74 V CB 1.483 33.472 31.823 0.277 0.000 1.050 74 V HN 0.447 nan 8.190 nan 0.000 0.433 75 H N 0.426 119.551 119.070 0.091 0.000 2.862 75 H HA -0.224 4.332 4.556 -0.000 0.000 0.290 75 H C 1.541 176.926 175.328 0.094 0.000 1.211 75 H CA 0.782 56.894 56.048 0.107 0.000 1.140 75 H CB -1.135 28.702 29.762 0.125 0.000 1.341 75 H HN 1.207 nan 8.280 nan 0.000 0.392 76 A N 0.550 123.460 122.820 0.150 0.000 1.933 76 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 76 A C 1.543 179.211 177.584 0.140 0.000 1.175 76 A CA 1.523 53.635 52.037 0.126 0.000 0.628 76 A CB 0.019 19.069 19.000 0.084 0.000 0.814 76 A HN 0.221 nan 8.150 nan 0.000 0.444 77 K N 0.194 120.674 120.400 0.133 0.000 2.262 77 K HA 0.518 4.838 4.320 -0.000 0.000 0.282 77 K C 0.003 176.719 176.600 0.194 0.000 1.066 77 K CA 0.620 56.997 56.287 0.151 0.000 0.901 77 K CB 0.518 33.087 32.500 0.115 0.000 1.089 77 K HN 0.321 nan 8.250 nan 0.000 0.476 78 G N 1.244 110.186 108.800 0.237 0.000 2.721 78 G HA2 0.773 4.733 3.960 -0.000 0.000 0.296 78 G HA3 0.773 4.733 3.960 -0.000 0.000 0.296 78 G C -1.718 173.377 174.900 0.325 0.000 1.383 78 G CA -0.457 44.790 45.100 0.244 0.000 0.788 78 G HN 0.695 nan 8.290 nan 0.000 0.500 79 A N -1.502 121.472 122.820 0.255 0.000 2.475 79 A HA 0.968 5.288 4.320 -0.000 0.000 0.301 79 A C -0.107 177.571 177.584 0.157 0.000 1.059 79 A CA 0.019 52.251 52.037 0.325 0.000 0.710 79 A CB 1.852 21.090 19.000 0.395 0.000 1.288 79 A HN 2.003 nan 8.150 nan 0.000 0.408 80 G N -0.792 108.084 108.800 0.127 0.000 2.574 80 G HA2 0.918 4.878 3.960 -0.000 0.000 0.299 80 G HA3 0.918 4.878 3.960 -0.000 0.000 0.299 80 G C -0.652 174.194 174.900 -0.090 0.000 1.298 80 G CA -0.034 45.007 45.100 -0.098 0.000 0.952 80 G HN 2.009 nan 8.290 nan 0.000 0.477 81 A N -0.372 122.212 122.820 -0.394 0.000 2.599 81 A HA 0.869 5.189 4.320 -0.000 0.000 0.290 81 A C -1.934 175.203 177.584 -0.745 0.000 1.101 81 A CA -0.710 51.145 52.037 -0.305 0.000 0.674 81 A CB 1.054 20.057 19.000 0.005 0.000 1.277 81 A HN 0.751 nan 8.150 nan 0.000 0.419 82 F N -0.636 119.322 119.950 0.013 0.000 2.603 82 F HA 0.870 5.397 4.527 -0.000 0.000 0.317 82 F C 0.937 176.726 175.800 -0.018 0.000 1.066 82 F CA 0.450 58.451 58.000 0.002 0.000 0.941 82 F CB 2.545 41.556 39.000 0.018 0.000 1.291 82 F HN 1.198 nan 8.300 nan 0.000 0.472 83 G N 0.196 109.096 108.800 0.165 0.000 2.586 83 G HA2 0.433 4.393 3.960 -0.000 0.000 0.105 83 G HA3 0.433 4.393 3.960 -0.000 0.000 0.105 83 G C -2.080 172.916 174.900 0.160 0.000 1.129 83 G CA -0.174 44.972 45.100 0.077 0.000 1.127 83 G HN 0.890 nan 8.290 nan 0.000 0.532 84 Y N -1.542 118.784 120.300 0.044 0.000 2.638 84 Y HA 0.814 5.364 4.550 -0.000 0.000 0.335 84 Y C -1.747 174.211 175.900 0.096 0.000 1.155 84 Y CA -2.174 55.962 58.100 0.060 0.000 1.046 84 Y CB 1.521 40.008 38.460 0.045 0.000 1.303 84 Y HN 0.811 nan 8.280 nan 0.000 0.460 85 F N 2.104 122.158 119.950 0.175 0.000 2.458 85 F HA 0.623 5.150 4.527 -0.000 0.000 0.336 85 F C -0.757 175.205 175.800 0.269 0.000 1.114 85 F CA -0.746 57.327 58.000 0.122 0.000 0.987 85 F CB 1.640 40.722 39.000 0.137 0.000 1.130 85 F HN 0.761 nan 8.300 nan 0.000 0.458 86 E N 5.471 125.363 120.200 -0.513 0.000 2.199 86 E HA 0.479 4.829 4.350 -0.000 0.000 0.265 86 E C -1.575 174.597 176.600 -0.714 0.000 0.882 86 E CA -0.908 55.249 56.400 -0.406 0.000 0.759 86 E CB 1.925 31.629 29.700 0.007 0.000 1.148 86 E HN 0.556 nan 8.360 nan 0.000 0.412 87 V N 4.286 123.905 119.914 -0.491 0.000 2.508 87 V HA 0.057 4.177 4.120 -0.000 0.000 0.281 87 V C 1.254 177.292 176.094 -0.093 0.000 1.041 87 V CA 0.700 62.861 62.300 -0.232 0.000 1.016 87 V CB 0.920 32.725 31.823 -0.029 0.000 0.984 87 V HN 0.954 nan 8.190 nan 0.000 0.478 88 T N 0.611 115.161 114.554 -0.006 0.000 2.969 88 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 88 T C 0.420 175.000 174.700 -0.200 0.000 1.021 88 T CA 0.151 62.221 62.100 -0.051 0.000 1.003 88 T CB 0.106 68.990 68.868 0.028 0.000 1.040 88 T HN 0.653 nan 8.240 nan 0.000 0.492 89 H N 0.313 119.422 119.070 0.064 0.000 2.865 89 H HA 0.627 5.183 4.556 -0.000 0.000 0.372 89 H C -1.439 173.941 175.328 0.087 0.000 1.173 89 H CA -0.933 55.162 56.048 0.077 0.000 1.147 89 H CB 1.466 31.283 29.762 0.091 0.000 1.805 89 H HN -0.000 nan 8.280 nan 0.000 0.553 90 D N 2.153 122.670 120.400 0.195 0.000 2.347 90 D HA 0.113 4.753 4.640 -0.000 0.000 0.235 90 D C 0.350 176.716 176.300 0.109 0.000 1.149 90 D CA -0.237 53.841 54.000 0.131 0.000 0.850 90 D CB 0.527 41.379 40.800 0.086 0.000 1.061 90 D HN 0.643 nan 8.370 nan 0.000 0.487 91 I N 1.001 121.628 120.570 0.093 0.000 3.707 91 I HA 0.154 4.324 4.170 -0.000 0.000 0.330 91 I C 1.399 177.538 176.117 0.036 0.000 1.572 91 I CA -0.470 60.878 61.300 0.081 0.000 1.104 91 I CB 0.282 38.344 38.000 0.104 0.000 1.240 91 I HN 0.118 nan 8.210 nan 0.000 0.475 92 T N -0.950 113.623 114.554 0.031 0.000 2.977 92 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 92 T C 1.616 176.291 174.700 -0.042 0.000 1.105 92 T CA 1.462 63.584 62.100 0.037 0.000 1.116 92 T CB -0.418 68.482 68.868 0.053 0.000 0.878 92 T HN 0.721 nan 8.240 nan 0.000 0.509 93 K N -0.175 120.119 120.400 -0.176 0.000 2.365 93 K HA -0.016 4.304 4.320 -0.000 0.000 0.199 93 K C 1.441 177.868 176.600 -0.288 0.000 1.045 93 K CA 0.915 57.028 56.287 -0.289 0.000 0.962 93 K CB -0.397 31.826 32.500 -0.462 0.000 0.759 93 K HN 0.516 nan 8.250 nan 0.000 0.469 94 Y N 0.322 120.618 120.300 -0.007 0.000 2.464 94 Y HA 0.185 4.735 4.550 -0.000 0.000 0.288 94 Y C 1.022 176.914 175.900 -0.013 0.000 1.133 94 Y CA -0.476 57.612 58.100 -0.020 0.000 1.223 94 Y CB 1.009 39.457 38.460 -0.021 0.000 1.187 94 Y HN -0.019 nan 8.280 nan 0.000 0.539 95 S N 0.286 116.089 115.700 0.171 0.000 2.538 95 S HA 0.260 4.730 4.470 -0.000 0.000 0.288 95 S C 0.021 174.710 174.600 0.148 0.000 1.108 95 S CA -0.903 57.391 58.200 0.156 0.000 0.971 95 S CB 1.105 64.450 63.200 0.241 0.000 1.041 95 S HN 0.374 nan 8.310 nan 0.000 0.483 96 K N 2.692 123.144 120.400 0.087 0.000 2.404 96 K HA 0.453 4.773 4.320 -0.000 0.000 0.194 96 K C 0.606 177.222 176.600 0.026 0.000 1.023 96 K CA -0.034 56.286 56.287 0.055 0.000 1.094 96 K CB 0.084 32.596 32.500 0.021 0.000 0.841 96 K HN 0.506 nan 8.250 nan 0.000 0.523 97 A N 2.384 125.213 122.820 0.014 0.000 2.566 97 A HA -0.001 4.319 4.320 -0.000 0.000 0.245 97 A C 0.655 178.127 177.584 -0.186 0.000 1.056 97 A CA -0.064 51.871 52.037 -0.171 0.000 0.757 97 A CB 0.202 18.954 19.000 -0.413 0.000 0.979 97 A HN 0.389 nan 8.150 nan 0.000 0.508 98 K N 2.177 122.468 120.400 -0.182 0.000 2.218 98 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 98 K C 1.632 178.120 176.600 -0.186 0.000 1.046 98 K CA 1.331 57.540 56.287 -0.130 0.000 0.933 98 K CB -0.253 32.190 32.500 -0.096 0.000 0.728 98 K HN 0.579 nan 8.250 nan 0.000 0.454 99 V N 0.648 120.336 119.914 -0.378 0.000 2.720 99 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 99 V C 0.846 176.781 176.094 -0.266 0.000 1.082 99 V CA 1.614 63.670 62.300 -0.407 0.000 1.101 99 V CB -0.278 31.119 31.823 -0.711 0.000 0.693 99 V HN 0.179 nan 8.190 nan 0.000 0.479 100 F N 0.318 120.270 119.950 0.002 0.000 2.682 100 F HA 0.244 4.771 4.527 -0.000 0.000 0.308 100 F C 2.007 177.813 175.800 0.009 0.000 1.093 100 F CA -0.066 57.971 58.000 0.061 0.000 1.244 100 F CB -0.596 38.450 39.000 0.077 0.000 1.052 100 F HN 0.335 nan 8.300 nan 0.000 0.573 101 E N 1.553 121.812 120.200 0.099 0.000 2.208 101 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 101 E C 0.178 176.867 176.600 0.148 0.000 1.014 101 E CA 1.888 58.346 56.400 0.096 0.000 0.819 101 E CB -0.695 29.058 29.700 0.088 0.000 0.735 101 E HN 0.550 nan 8.360 nan 0.000 0.469 102 H N -1.847 117.279 119.070 0.094 0.000 3.068 102 H HA 0.348 4.904 4.556 -0.000 0.000 0.342 102 H C -0.793 174.566 175.328 0.052 0.000 1.284 102 H CA -1.146 54.939 56.048 0.061 0.000 1.181 102 H CB 0.363 30.145 29.762 0.032 0.000 1.898 102 H HN -0.049 nan 8.280 nan 0.000 0.540 103 I N 1.554 122.228 120.570 0.174 0.000 2.683 103 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 103 I C 1.441 177.628 176.117 0.118 0.000 1.175 103 I CA 1.984 63.335 61.300 0.084 0.000 1.429 103 I CB 0.581 38.605 38.000 0.039 0.000 1.371 103 I HN 1.078 nan 8.210 nan 0.000 0.569 104 G N 4.655 113.470 108.800 0.024 0.000 2.194 104 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 104 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 104 G C 0.435 175.331 174.900 -0.008 0.000 0.987 104 G CA -0.120 44.993 45.100 0.021 0.000 0.635 104 G HN 0.634 nan 8.290 nan 0.000 0.520 105 K N 1.415 121.752 120.400 -0.105 0.000 2.379 105 K HA 0.384 4.704 4.320 -0.000 0.000 0.284 105 K C 0.079 176.608 176.600 -0.119 0.000 1.044 105 K CA 0.028 56.193 56.287 -0.204 0.000 0.974 105 K CB 0.159 32.305 32.500 -0.589 0.000 0.962 105 K HN 0.245 nan 8.250 nan 0.000 0.474 106 K N 2.719 123.080 120.400 -0.065 0.000 2.182 106 K HA 0.259 4.579 4.320 -0.000 0.000 0.262 106 K C -0.883 175.759 176.600 0.070 0.000 0.957 106 K CA -0.670 55.604 56.287 -0.021 0.000 0.842 106 K CB 2.040 34.450 32.500 -0.150 0.000 1.099 106 K HN 0.490 nan 8.250 nan 0.000 0.438 107 T N 3.953 118.629 114.554 0.202 0.000 2.824 107 T HA 0.327 4.677 4.350 -0.000 0.000 0.282 107 T C -2.660 172.200 174.700 0.266 0.000 0.993 107 T CA -1.816 60.421 62.100 0.229 0.000 0.967 107 T CB 1.758 70.814 68.868 0.313 0.000 0.960 107 T HN 0.253 nan 8.240 nan 0.000 0.441 108 P HA 0.333 nan 4.420 nan 0.000 0.268 108 P C -0.611 176.875 177.300 0.311 0.000 1.204 108 P CA -0.360 62.906 63.100 0.276 0.000 0.768 108 P CB 0.261 32.114 31.700 0.254 0.000 0.842 109 I N -0.836 119.859 120.570 0.208 0.000 2.934 109 I HA 0.920 5.090 4.170 -0.000 0.000 0.306 109 I C -1.242 174.950 176.117 0.126 0.000 1.110 109 I CA -1.541 59.745 61.300 -0.024 0.000 1.019 109 I CB 2.656 40.403 38.000 -0.422 0.000 1.227 109 I HN 0.230 nan 8.210 nan 0.000 0.434 110 A N 4.074 126.878 122.820 -0.026 0.000 2.371 110 A HA 0.849 5.169 4.320 -0.000 0.000 0.311 110 A C -1.109 176.316 177.584 -0.265 0.000 1.068 110 A CA -0.602 51.390 52.037 -0.074 0.000 0.744 110 A CB 1.774 20.892 19.000 0.196 0.000 1.239 110 A HN 0.577 nan 8.150 nan 0.000 0.435 111 V N 1.851 121.487 119.914 -0.463 0.000 2.789 111 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 111 V C -0.127 175.647 176.094 -0.534 0.000 1.073 111 V CA -0.675 61.319 62.300 -0.510 0.000 0.921 111 V CB 2.082 33.500 31.823 -0.674 0.000 1.009 111 V HN 0.971 nan 8.190 nan 0.000 0.426 112 R N 2.608 122.776 120.500 -0.553 0.000 2.532 112 R HA 0.651 4.991 4.340 -0.000 0.000 0.297 112 R C -1.904 174.042 176.300 -0.589 0.000 0.984 112 R CA -0.408 55.444 56.100 -0.413 0.000 0.884 112 R CB 1.462 31.744 30.300 -0.031 0.000 1.182 112 R HN 0.569 nan 8.270 nan 0.000 0.442 113 F N 1.711 121.449 119.950 -0.353 0.000 2.470 113 F HA 0.611 5.138 4.527 0.000 0.000 0.329 113 F C 0.426 176.053 175.800 -0.288 0.000 1.072 113 F CA -0.232 57.462 58.000 -0.510 0.000 0.989 113 F CB 2.261 40.538 39.000 -1.205 0.000 1.193 113 F HN 0.666 nan 8.300 nan 0.000 0.481 114 S N -1.094 114.674 115.700 0.113 0.000 2.636 114 S HA 0.578 5.048 4.470 -0.000 0.000 0.266 114 S C -0.702 174.045 174.600 0.246 0.000 1.147 114 S CA -0.798 57.533 58.200 0.218 0.000 0.815 114 S CB 1.186 64.553 63.200 0.277 0.000 1.119 114 S HN 0.737 nan 8.310 nan 0.000 0.470 115 T N -1.394 113.263 114.554 0.171 0.000 2.920 115 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 115 T C 0.817 175.445 174.700 -0.119 0.000 1.093 115 T CA 0.057 62.202 62.100 0.075 0.000 0.944 115 T CB 0.279 69.186 68.868 0.065 0.000 1.605 115 T HN 0.782 nan 8.240 nan 0.000 0.590 116 V N -0.449 119.358 119.914 -0.179 0.000 3.054 116 V HA 0.363 4.483 4.120 -0.000 0.000 0.227 116 V C 2.746 178.724 176.094 -0.195 0.000 1.252 116 V CA 0.624 62.712 62.300 -0.353 0.000 1.279 116 V CB -0.834 30.830 31.823 -0.264 0.000 1.118 116 V HN 0.985 nan 8.190 nan 0.000 0.504 117 A N 0.679 123.402 122.820 -0.163 0.000 1.930 117 A HA 0.313 4.633 4.320 -0.000 0.000 0.215 117 A C 1.602 179.115 177.584 -0.119 0.000 1.176 117 A CA 1.094 53.027 52.037 -0.175 0.000 0.632 117 A CB -0.959 17.906 19.000 -0.225 0.000 0.819 117 A HN 0.583 nan 8.150 nan 0.000 0.445 118 G N 0.313 109.065 108.800 -0.079 0.000 2.491 118 G HA2 0.404 4.364 3.960 -0.000 0.000 0.238 118 G HA3 0.404 4.364 3.960 -0.000 0.000 0.238 118 G C -0.255 174.635 174.900 -0.018 0.000 1.277 118 G CA -0.233 44.839 45.100 -0.047 0.000 0.851 118 G HN 0.456 nan 8.290 nan 0.000 0.573 119 E N 0.491 120.683 120.200 -0.012 0.000 2.385 119 E HA 0.254 4.604 4.350 -0.000 0.000 0.254 119 E C 1.746 178.370 176.600 0.039 0.000 1.228 119 E CA -0.174 56.235 56.400 0.014 0.000 0.956 119 E CB 0.498 30.205 29.700 0.013 0.000 1.116 119 E HN 0.293 nan 8.360 nan 0.000 0.507 120 S N -0.136 115.597 115.700 0.055 0.000 2.423 120 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 120 S C 1.420 176.053 174.600 0.055 0.000 1.028 120 S CA 1.339 59.582 58.200 0.071 0.000 1.000 120 S CB -0.284 62.964 63.200 0.080 0.000 0.797 120 S HN 0.645 nan 8.310 nan 0.000 0.487 121 G N 1.312 110.136 108.800 0.040 0.000 3.820 121 G HA2 0.382 4.342 3.960 -0.000 0.000 0.293 121 G HA3 0.382 4.342 3.960 -0.000 0.000 0.293 121 G C 0.099 175.014 174.900 0.026 0.000 1.152 121 G CA -0.183 44.935 45.100 0.030 0.000 0.921 121 G HN 0.486 nan 8.290 nan 0.000 0.544 122 S N -0.599 115.119 115.700 0.031 0.000 2.722 122 S HA 0.820 5.290 4.470 -0.000 0.000 0.292 122 S C 0.255 174.876 174.600 0.036 0.000 1.135 122 S CA -0.361 57.853 58.200 0.024 0.000 1.003 122 S CB 2.028 65.236 63.200 0.013 0.000 1.067 122 S HN 0.583 nan 8.310 nan 0.000 0.546 123 A N 0.498 123.336 122.820 0.030 0.000 2.340 123 A HA 0.445 4.765 4.320 -0.000 0.000 0.268 123 A C 0.471 178.088 177.584 0.055 0.000 1.100 123 A CA -0.557 51.504 52.037 0.040 0.000 0.803 123 A CB -0.128 18.886 19.000 0.024 0.000 1.043 123 A HN 0.863 nan 8.150 nan 0.000 0.488 124 D N 0.535 120.982 120.400 0.079 0.000 2.123 124 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 124 D C 1.413 177.756 176.300 0.073 0.000 0.976 124 D CA 2.181 56.243 54.000 0.103 0.000 0.831 124 D CB -0.262 40.620 40.800 0.137 0.000 0.974 124 D HN 0.669 nan 8.370 nan 0.000 0.469 125 T N 0.036 114.611 114.554 0.034 0.000 4.309 125 T HA 0.364 4.714 4.350 -0.000 0.000 0.242 125 T C 0.292 174.983 174.700 -0.016 0.000 1.142 125 T CA -0.592 61.497 62.100 -0.018 0.000 1.042 125 T CB -0.951 67.841 68.868 -0.127 0.000 1.366 125 T HN -0.060 nan 8.240 nan 0.000 0.942 126 V N -1.063 118.853 119.914 0.005 0.000 3.001 126 V HA 0.655 4.775 4.120 -0.000 0.000 0.314 126 V C 0.119 176.206 176.094 -0.011 0.000 1.099 126 V CA -1.926 60.371 62.300 -0.005 0.000 0.989 126 V CB 1.802 33.622 31.823 -0.004 0.000 1.040 126 V HN 0.550 nan 8.190 nan 0.000 0.434 127 R N 1.631 122.109 120.500 -0.037 0.000 2.449 127 R HA 0.483 4.823 4.340 -0.000 0.000 0.296 127 R C -0.998 175.259 176.300 -0.072 0.000 1.047 127 R CA 0.557 56.611 56.100 -0.077 0.000 1.018 127 R CB 0.008 30.209 30.300 -0.165 0.000 0.962 127 R HN 1.021 nan 8.270 nan 0.000 0.428 128 D N 3.159 123.543 120.400 -0.027 0.000 2.983 128 D HA 0.191 4.831 4.640 -0.000 0.000 0.269 128 D C -2.843 173.514 176.300 0.095 0.000 1.121 128 D CA -0.883 53.132 54.000 0.026 0.000 0.724 128 D CB 1.501 42.306 40.800 0.008 0.000 1.381 128 D HN 0.229 nan 8.370 nan 0.000 0.442 129 P HA 0.414 nan 4.420 nan 0.000 0.275 129 P C -0.764 176.655 177.300 0.199 0.000 1.266 129 P CA -0.443 62.782 63.100 0.207 0.000 0.793 129 P CB 0.537 32.428 31.700 0.317 0.000 1.074 130 R N 0.292 120.942 120.500 0.250 0.000 2.561 130 R HA 0.526 4.866 4.340 -0.000 0.000 0.297 130 R C 0.106 176.620 176.300 0.356 0.000 0.969 130 R CA -0.646 55.622 56.100 0.280 0.000 0.879 130 R CB 1.638 32.105 30.300 0.278 0.000 1.178 130 R HN 0.625 nan 8.270 nan 0.000 0.445 131 G N 1.347 110.395 108.800 0.414 0.000 2.467 131 G HA2 0.368 4.328 3.960 -0.000 0.000 0.257 131 G HA3 0.368 4.328 3.960 -0.000 0.000 0.257 131 G C -0.956 174.085 174.900 0.234 0.000 1.227 131 G CA 0.033 45.342 45.100 0.350 0.000 0.835 131 G HN 0.400 nan 8.290 nan 0.000 0.556 132 F N 2.159 122.060 119.950 -0.082 0.000 2.971 132 F HA 0.576 5.103 4.527 -0.000 0.000 0.373 132 F C 0.129 175.690 175.800 -0.398 0.000 1.288 132 F CA -1.827 56.045 58.000 -0.214 0.000 1.204 132 F CB 0.509 39.495 39.000 -0.022 0.000 1.852 132 F HN 0.658 nan 8.300 nan 0.000 0.624 133 A N 2.991 125.561 122.820 -0.417 0.000 2.328 133 A HA 0.745 5.065 4.320 -0.000 0.000 0.284 133 A C -1.054 175.944 177.584 -0.976 0.000 1.160 133 A CA -0.383 51.097 52.037 -0.928 0.000 0.818 133 A CB 0.809 18.753 19.000 -1.759 0.000 1.087 133 A HN 0.316 nan 8.150 nan 0.000 0.504 134 V N 3.071 122.499 119.914 -0.811 0.000 2.444 134 V HA 0.397 4.517 4.120 -0.000 0.000 0.294 134 V C 0.028 175.779 176.094 -0.571 0.000 1.022 134 V CA -0.706 61.152 62.300 -0.737 0.000 0.850 134 V CB 1.504 32.721 31.823 -1.010 0.000 0.992 134 V HN 0.917 nan 8.190 nan 0.000 0.426 135 K N 4.431 124.612 120.400 -0.365 0.000 2.293 135 K HA 0.570 4.890 4.320 -0.000 0.000 0.267 135 K C -1.583 174.629 176.600 -0.647 0.000 1.010 135 K CA -0.456 55.604 56.287 -0.379 0.000 0.875 135 K CB 0.704 32.977 32.500 -0.378 0.000 1.106 135 K HN 0.479 nan 8.250 nan 0.000 0.450 136 F N 4.339 123.963 119.950 -0.544 0.000 2.385 136 F HA 0.259 4.786 4.527 -0.000 0.000 0.360 136 F C -0.496 175.116 175.800 -0.315 0.000 1.122 136 F CA -0.657 57.122 58.000 -0.370 0.000 1.090 136 F CB 0.706 39.519 39.000 -0.311 0.000 1.150 136 F HN 0.419 nan 8.300 nan 0.000 0.472 137 Y N 1.829 122.118 120.300 -0.018 0.000 2.627 137 Y HA 0.267 4.817 4.550 -0.000 0.000 0.347 137 Y C 1.002 176.810 175.900 -0.153 0.000 1.099 137 Y CA -0.769 57.225 58.100 -0.177 0.000 1.408 137 Y CB -0.071 38.112 38.460 -0.462 0.000 1.247 137 Y HN 0.562 nan 8.280 nan 0.000 0.506 138 T N -2.138 112.426 114.554 0.016 0.000 2.912 138 T HA 0.252 4.602 4.350 -0.000 0.000 0.280 138 T C 0.951 175.619 174.700 -0.053 0.000 0.989 138 T CA -0.743 61.345 62.100 -0.020 0.000 0.995 138 T CB 1.271 70.108 68.868 -0.051 0.000 1.077 138 T HN 0.508 nan 8.240 nan 0.000 0.531 139 E N -0.008 120.160 120.200 -0.053 0.000 2.268 139 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 139 E C 0.688 177.257 176.600 -0.050 0.000 0.995 139 E CA 0.785 57.156 56.400 -0.048 0.000 0.836 139 E CB -0.015 29.664 29.700 -0.035 0.000 0.763 139 E HN 0.564 nan 8.360 nan 0.000 0.491 140 D N 0.053 120.416 120.400 -0.062 0.000 2.460 140 D HA 0.244 4.884 4.640 -0.000 0.000 0.229 140 D C 0.343 176.610 176.300 -0.056 0.000 1.170 140 D CA 0.597 54.559 54.000 -0.063 0.000 0.827 140 D CB 0.125 40.873 40.800 -0.085 0.000 0.973 140 D HN 0.178 nan 8.370 nan 0.000 0.496 141 G N 0.691 109.462 108.800 -0.047 0.000 2.685 141 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.387 141 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.387 141 G C -0.369 174.514 174.900 -0.027 0.000 1.324 141 G CA -1.031 44.048 45.100 -0.036 0.000 0.878 141 G HN 0.159 nan 8.290 nan 0.000 0.527 142 N N -0.443 118.241 118.700 -0.026 0.000 2.530 142 N HA 0.462 5.202 4.740 -0.000 0.000 0.273 142 N C -0.622 174.914 175.510 0.044 0.000 1.173 142 N CA -0.018 53.006 53.050 -0.044 0.000 0.967 142 N CB 1.060 39.475 38.487 -0.120 0.000 1.109 142 N HN 0.674 nan 8.380 nan 0.000 0.453 143 W N 2.866 124.070 121.300 -0.162 0.000 2.362 143 W HA 0.350 5.010 4.660 -0.000 0.000 0.316 143 W C -1.374 175.094 176.519 -0.085 0.000 1.024 143 W CA -0.960 56.273 57.345 -0.186 0.000 1.270 143 W CB 0.494 29.731 29.460 -0.371 0.000 1.273 143 W HN 0.322 nan 8.180 nan 0.000 0.424 144 D N 6.021 126.341 120.400 -0.134 0.000 2.329 144 D HA 0.178 4.818 4.640 -0.000 0.000 0.232 144 D C -0.886 175.151 176.300 -0.438 0.000 1.088 144 D CA -0.360 53.495 54.000 -0.243 0.000 0.835 144 D CB 1.866 42.655 40.800 -0.019 0.000 1.078 144 D HN 0.346 nan 8.370 nan 0.000 0.495 145 L N 4.246 125.068 121.223 -0.669 0.000 2.321 145 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 145 L C -0.758 175.865 176.870 -0.411 0.000 1.050 145 L CA -0.653 53.828 54.840 -0.598 0.000 0.893 145 L CB 0.995 42.536 42.059 -0.864 0.000 1.272 145 L HN 0.076 nan 8.230 nan 0.000 0.435 146 V N 5.469 125.214 119.914 -0.281 0.000 2.153 146 V HA 0.458 4.578 4.120 -0.000 0.000 0.250 146 V C 1.179 177.183 176.094 -0.151 0.000 1.334 146 V CA 0.017 62.136 62.300 -0.302 0.000 1.249 146 V CB -0.553 31.082 31.823 -0.312 0.000 1.371 146 V HN 0.789 nan 8.190 nan 0.000 0.498 147 G N 2.668 111.397 108.800 -0.119 0.000 2.511 147 G HA2 0.531 4.491 3.960 -0.000 0.000 0.316 147 G HA3 0.531 4.491 3.960 -0.000 0.000 0.316 147 G C -0.516 174.409 174.900 0.042 0.000 1.210 147 G CA -0.558 44.541 45.100 -0.003 0.000 0.969 147 G HN 0.485 nan 8.290 nan 0.000 0.492 148 N N -0.921 117.834 118.700 0.092 0.000 2.545 148 N HA 0.202 4.942 4.740 -0.000 0.000 0.289 148 N C 0.473 176.125 175.510 0.236 0.000 1.279 148 N CA -0.771 52.401 53.050 0.204 0.000 0.824 148 N CB 1.440 40.068 38.487 0.235 0.000 1.395 148 N HN 0.533 nan 8.380 nan 0.000 0.526 149 N N -1.043 117.834 118.700 0.296 0.000 2.421 149 N HA -0.020 4.720 4.740 -0.000 0.000 0.201 149 N C -0.436 175.287 175.510 0.355 0.000 1.198 149 N CA 0.086 53.343 53.050 0.344 0.000 0.838 149 N CB -0.022 38.651 38.487 0.310 0.000 1.011 149 N HN 0.383 nan 8.380 nan 0.000 0.463 150 T N -0.163 114.513 114.554 0.203 0.000 2.909 150 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 150 T C -2.485 171.931 174.700 -0.474 0.000 1.073 150 T CA -1.693 60.322 62.100 -0.141 0.000 0.999 150 T CB 2.275 71.112 68.868 -0.052 0.000 1.098 150 T HN -0.165 nan 8.240 nan 0.000 0.477 151 P HA 0.197 nan 4.420 nan 0.000 0.236 151 P C 0.513 177.534 177.300 -0.465 0.000 1.177 151 P CA 0.268 62.904 63.100 -0.774 0.000 0.773 151 P CB -0.039 31.163 31.700 -0.830 0.000 0.878 152 I N -5.742 114.561 120.570 -0.446 0.000 3.445 152 I HA 0.679 4.849 4.170 -0.000 0.000 0.303 152 I C -0.974 174.975 176.117 -0.280 0.000 1.129 152 I CA -1.643 59.402 61.300 -0.425 0.000 0.989 152 I CB 1.816 39.403 38.000 -0.687 0.000 1.314 152 I HN -0.296 nan 8.210 nan 0.000 0.488 153 F N -0.535 119.147 119.950 -0.446 0.000 2.692 153 F HA 0.491 5.019 4.527 0.000 0.000 0.320 153 F C -0.094 175.459 175.800 -0.412 0.000 1.123 153 F CA -0.740 57.035 58.000 -0.375 0.000 0.961 153 F CB 1.960 40.893 39.000 -0.111 0.000 1.383 153 F HN 0.409 nan 8.300 nan 0.000 0.483 154 F N 2.192 121.621 119.950 -0.868 0.000 2.293 154 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 154 F C 0.661 176.281 175.800 -0.300 0.000 1.086 154 F CA 0.777 58.376 58.000 -0.669 0.000 1.375 154 F CB -0.304 38.051 39.000 -1.075 0.000 1.045 154 F HN 0.110 nan 8.300 nan 0.000 0.516 155 I N -2.037 118.629 120.570 0.160 0.000 3.042 155 I HA 0.488 4.658 4.170 -0.000 0.000 0.310 155 I C 0.571 176.821 176.117 0.221 0.000 1.117 155 I CA -1.141 60.283 61.300 0.206 0.000 1.003 155 I CB 2.360 40.543 38.000 0.305 0.000 1.228 155 I HN -0.066 nan 8.210 nan 0.000 0.443 156 R N 0.187 120.778 120.500 0.152 0.000 2.476 156 R HA 0.390 4.730 4.340 -0.000 0.000 0.276 156 R C -0.653 175.722 176.300 0.125 0.000 0.941 156 R CA -0.287 55.887 56.100 0.122 0.000 1.088 156 R CB 0.439 30.784 30.300 0.075 0.000 1.216 156 R HN 0.720 nan 8.270 nan 0.000 0.533 157 D N 1.505 121.996 120.400 0.152 0.000 2.757 157 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 157 D C -1.940 174.465 176.300 0.174 0.000 1.168 157 D CA -2.191 51.890 54.000 0.135 0.000 0.870 157 D CB 2.713 43.584 40.800 0.119 0.000 1.411 157 D HN -0.172 nan 8.370 nan 0.000 0.525 158 P HA -0.075 nan 4.420 nan 0.000 0.222 158 P C 1.731 179.145 177.300 0.190 0.000 1.147 158 P CA 0.368 63.559 63.100 0.152 0.000 0.790 158 P CB 0.648 32.391 31.700 0.071 0.000 0.780 159 I N -1.043 119.616 120.570 0.148 0.000 2.916 159 I HA -0.140 4.030 4.170 -0.000 0.000 0.267 159 I C 1.708 177.924 176.117 0.164 0.000 1.263 159 I CA 0.731 62.109 61.300 0.130 0.000 1.471 159 I CB -0.055 37.997 38.000 0.087 0.000 1.089 159 I HN -0.149 nan 8.210 nan 0.000 0.468 160 L N -1.017 120.344 121.223 0.230 0.000 2.585 160 L HA 0.016 4.356 4.340 -0.000 0.000 0.226 160 L C 1.749 178.801 176.870 0.304 0.000 1.113 160 L CA 0.294 55.307 54.840 0.288 0.000 0.876 160 L CB -0.337 41.942 42.059 0.367 0.000 1.072 160 L HN 0.148 nan 8.230 nan 0.000 0.468 161 F N 1.950 122.003 119.950 0.172 0.000 2.102 161 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 161 F C -0.457 175.355 175.800 0.019 0.000 1.105 161 F CA 1.681 59.792 58.000 0.185 0.000 1.239 161 F CB -0.940 38.155 39.000 0.158 0.000 0.991 161 F HN 0.097 nan 8.300 nan 0.000 0.474 162 P HA -0.148 nan 4.420 nan 0.000 0.215 162 P C 1.811 178.713 177.300 -0.663 0.000 1.153 162 P CA 2.153 65.040 63.100 -0.356 0.000 0.853 162 P CB -0.044 31.515 31.700 -0.235 0.000 0.788 163 S N -1.328 114.136 115.700 -0.393 0.000 2.356 163 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 163 S C 1.637 175.831 174.600 -0.678 0.000 1.032 163 S CA 1.011 58.985 58.200 -0.375 0.000 1.005 163 S CB -1.212 61.953 63.200 -0.058 0.000 0.867 163 S HN 0.179 nan 8.310 nan 0.000 0.449 164 F N 2.290 121.675 119.950 -0.941 0.000 2.069 164 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 164 F C 1.890 177.163 175.800 -0.878 0.000 1.113 164 F CA 1.297 58.537 58.000 -1.266 0.000 1.214 164 F CB -0.148 38.445 39.000 -0.680 0.000 0.978 164 F HN 0.091 nan 8.300 nan 0.000 0.474 165 I N 0.632 120.541 120.570 -1.102 0.000 2.226 165 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 165 I C 2.394 178.148 176.117 -0.605 0.000 1.100 165 I CA 1.724 62.437 61.300 -0.978 0.000 1.374 165 I CB -1.873 35.666 38.000 -0.769 0.000 1.057 165 I HN 0.363 nan 8.210 nan 0.000 0.413 166 H N 0.507 119.243 119.070 -0.556 0.000 2.319 166 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 166 H C 2.477 177.536 175.328 -0.448 0.000 1.092 166 H CA 1.631 57.438 56.048 -0.402 0.000 1.302 166 H CB 0.142 29.733 29.762 -0.286 0.000 1.373 166 H HN 0.386 nan 8.280 nan 0.000 0.497 167 S N 0.529 115.962 115.700 -0.445 0.000 2.419 167 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 167 S C 1.844 176.103 174.600 -0.568 0.000 1.016 167 S CA 0.885 58.797 58.200 -0.480 0.000 0.974 167 S CB 0.029 62.886 63.200 -0.573 0.000 0.786 167 S HN 0.370 nan 8.310 nan 0.000 0.492 168 Q N 0.808 120.168 119.800 -0.733 0.000 2.398 168 Q HA 0.285 4.625 4.340 -0.000 0.000 0.204 168 Q C 0.782 176.512 176.000 -0.450 0.000 0.932 168 Q CA 0.633 56.018 55.803 -0.697 0.000 0.916 168 Q CB 0.139 28.312 28.738 -0.941 0.000 1.024 168 Q HN 0.661 nan 8.270 nan 0.000 0.504 169 K N 0.182 120.353 120.400 -0.382 0.000 2.580 169 K HA 0.369 4.689 4.320 -0.000 0.000 0.287 169 K C 0.109 176.558 176.600 -0.251 0.000 1.005 169 K CA -0.740 55.376 56.287 -0.285 0.000 1.200 169 K CB 0.600 32.951 32.500 -0.249 0.000 1.568 169 K HN -0.130 nan 8.250 nan 0.000 0.685 170 R N 1.782 122.130 120.500 -0.252 0.000 2.490 170 R HA 0.084 4.424 4.340 -0.000 0.000 0.278 170 R C 0.183 176.376 176.300 -0.180 0.000 1.069 170 R CA -0.518 55.432 56.100 -0.249 0.000 1.080 170 R CB 0.246 30.295 30.300 -0.419 0.000 1.030 170 R HN 0.471 nan 8.270 nan 0.000 0.491 171 N N 3.815 122.437 118.700 -0.130 0.000 2.454 171 N HA -0.030 4.709 4.740 -0.000 0.000 0.260 171 N C -1.514 173.962 175.510 -0.057 0.000 1.218 171 N CA -1.082 51.916 53.050 -0.086 0.000 0.904 171 N CB 0.946 39.401 38.487 -0.053 0.000 1.065 171 N HN 0.380 nan 8.380 nan 0.000 0.462 172 P HA -0.159 nan 4.420 nan 0.000 0.222 172 P C 0.834 178.124 177.300 -0.016 0.000 1.147 172 P CA 1.363 64.431 63.100 -0.054 0.000 0.790 172 P CB 0.437 32.086 31.700 -0.085 0.000 0.780 173 Q N 0.217 120.011 119.800 -0.010 0.000 2.388 173 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 173 Q C 2.166 178.176 176.000 0.015 0.000 0.946 173 Q CA 1.543 57.344 55.803 -0.003 0.000 0.880 173 Q CB -0.299 28.435 28.738 -0.007 0.000 0.997 173 Q HN 0.182 nan 8.270 nan 0.000 0.552 174 T N -3.046 111.521 114.554 0.021 0.000 3.043 174 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 174 T C 0.377 175.138 174.700 0.102 0.000 1.094 174 T CA 1.091 63.214 62.100 0.037 0.000 1.127 174 T CB -0.201 68.676 68.868 0.014 0.000 0.905 174 T HN 0.640 nan 8.240 nan 0.000 0.490 175 H N -0.153 118.888 119.070 -0.048 0.000 2.936 175 H HA -0.095 4.461 4.556 -0.000 0.000 0.276 175 H C -0.732 174.567 175.328 -0.048 0.000 1.216 175 H CA 0.495 56.511 56.048 -0.052 0.000 1.132 175 H CB -2.234 27.503 29.762 -0.043 0.000 1.303 175 H HN 0.558 nan 8.280 nan 0.000 0.370 176 L N 0.194 121.377 121.223 -0.067 0.000 2.322 176 L HA 0.439 4.778 4.340 -0.000 0.000 0.269 176 L C 0.622 177.426 176.870 -0.110 0.000 1.012 176 L CA -1.408 53.381 54.840 -0.085 0.000 0.815 176 L CB 1.117 43.156 42.059 -0.034 0.000 1.295 176 L HN -0.116 nan 8.230 nan 0.000 0.438 177 K N 1.376 121.718 120.400 -0.097 0.000 2.436 177 K HA 0.083 4.403 4.320 -0.000 0.000 0.275 177 K C -0.729 175.834 176.600 -0.062 0.000 0.999 177 K CA 0.155 56.390 56.287 -0.087 0.000 0.980 177 K CB 0.357 32.831 32.500 -0.045 0.000 0.919 177 K HN 0.437 nan 8.250 nan 0.000 0.484 178 D N 3.180 123.539 120.400 -0.070 0.000 2.421 178 D HA 0.252 4.892 4.640 -0.000 0.000 0.254 178 D C -2.045 174.235 176.300 -0.034 0.000 1.238 178 D CA -2.135 51.833 54.000 -0.053 0.000 0.919 178 D CB 1.536 42.297 40.800 -0.065 0.000 1.152 178 D HN -0.007 nan 8.370 nan 0.000 0.552 179 P HA -0.077 nan 4.420 nan 0.000 0.218 179 P C 0.691 178.050 177.300 0.099 0.000 1.148 179 P CA 0.771 63.892 63.100 0.036 0.000 0.822 179 P CB 0.571 32.204 31.700 -0.111 0.000 0.784 180 D N -1.626 118.788 120.400 0.023 0.000 2.117 180 D HA -0.103 4.536 4.640 -0.000 0.000 0.197 180 D C 1.907 178.220 176.300 0.021 0.000 0.987 180 D CA 1.222 55.231 54.000 0.016 0.000 0.829 180 D CB -0.530 40.272 40.800 0.003 0.000 0.961 180 D HN 0.136 nan 8.370 nan 0.000 0.460 181 M N -0.342 119.245 119.600 -0.022 0.000 2.086 181 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 181 M C 2.252 178.469 176.300 -0.138 0.000 1.067 181 M CA 0.856 56.117 55.300 -0.064 0.000 1.116 181 M CB -0.156 32.375 32.600 -0.114 0.000 1.348 181 M HN -0.093 nan 8.290 nan 0.000 0.407 182 V N -0.860 118.918 119.914 -0.226 0.000 2.233 182 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 182 V C 1.758 177.532 176.094 -0.534 0.000 1.050 182 V CA 2.173 64.145 62.300 -0.546 0.000 1.010 182 V CB -0.780 30.736 31.823 -0.512 0.000 0.637 182 V HN 0.590 nan 8.190 nan 0.000 0.444 183 W N -0.233 121.050 121.300 -0.029 0.000 2.584 183 W HA -0.007 4.653 4.660 0.000 0.000 0.264 183 W C 2.240 178.796 176.519 0.060 0.000 1.264 183 W CA 0.833 58.239 57.345 0.103 0.000 1.306 183 W CB -0.270 29.251 29.460 0.102 0.000 1.110 183 W HN 0.297 nan 8.180 nan 0.000 0.606 184 D N -0.092 120.415 120.400 0.179 0.000 2.097 184 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 184 D C 1.844 178.237 176.300 0.155 0.000 0.984 184 D CA 1.251 55.328 54.000 0.129 0.000 0.826 184 D CB -0.453 40.411 40.800 0.107 0.000 0.973 184 D HN 0.100 nan 8.370 nan 0.000 0.460 185 F N -0.330 119.616 119.950 -0.006 0.000 2.075 185 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 185 F C 1.884 177.753 175.800 0.116 0.000 1.113 185 F CA 1.376 59.376 58.000 -0.000 0.000 1.218 185 F CB -0.239 38.696 39.000 -0.109 0.000 0.984 185 F HN 0.033 nan 8.300 nan 0.000 0.472 186 W N 0.926 122.287 121.300 0.101 0.000 2.363 186 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 186 W C 3.069 179.557 176.519 -0.052 0.000 1.212 186 W CA 1.751 59.082 57.345 -0.024 0.000 1.260 186 W CB -1.668 27.732 29.460 -0.099 0.000 1.131 186 W HN 0.256 nan 8.180 nan 0.000 0.530 187 S N -0.375 115.487 115.700 0.269 0.000 2.406 187 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 187 S C 1.931 176.538 174.600 0.012 0.000 1.020 187 S CA 0.986 59.260 58.200 0.123 0.000 0.965 187 S CB -0.871 62.415 63.200 0.142 0.000 0.798 187 S HN 0.234 nan 8.310 nan 0.000 0.488 188 L N 0.117 121.328 121.223 -0.020 0.000 2.240 188 L HA 0.185 4.525 4.340 -0.000 0.000 0.211 188 L C 0.918 177.692 176.870 -0.159 0.000 1.106 188 L CA 0.492 55.286 54.840 -0.076 0.000 0.793 188 L CB -0.089 41.924 42.059 -0.075 0.000 0.927 188 L HN 0.132 nan 8.230 nan 0.000 0.446 189 R N 0.482 120.836 120.500 -0.244 0.000 2.664 189 R HA 0.217 4.557 4.340 -0.000 0.000 0.281 189 R C -1.892 174.313 176.300 -0.159 0.000 1.383 189 R CA -2.080 53.861 56.100 -0.264 0.000 1.563 189 R CB 0.036 30.014 30.300 -0.537 0.000 1.131 189 R HN 0.001 nan 8.270 nan 0.000 0.599 190 P HA -0.168 nan 4.420 nan 0.000 0.231 190 P C 0.768 177.980 177.300 -0.147 0.000 1.158 190 P CA 0.872 63.881 63.100 -0.151 0.000 0.763 190 P CB 0.391 32.007 31.700 -0.141 0.000 0.805 191 E N 1.009 121.140 120.200 -0.116 0.000 2.333 191 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 191 E C 1.545 178.065 176.600 -0.134 0.000 1.007 191 E CA 1.421 57.760 56.400 -0.103 0.000 0.845 191 E CB -0.998 28.666 29.700 -0.060 0.000 0.766 191 E HN 0.359 nan 8.360 nan 0.000 0.507 192 S N 0.800 116.411 115.700 -0.148 0.000 2.515 192 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 192 S C 2.115 176.533 174.600 -0.304 0.000 0.987 192 S CA 0.168 58.243 58.200 -0.209 0.000 0.936 192 S CB -0.624 62.464 63.200 -0.187 0.000 0.766 192 S HN 0.212 nan 8.310 nan 0.000 0.528 193 L N 0.858 121.931 121.223 -0.250 0.000 2.021 193 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 193 L C 2.866 179.677 176.870 -0.098 0.000 1.074 193 L CA 2.262 56.981 54.840 -0.202 0.000 0.760 193 L CB -0.850 41.093 42.059 -0.194 0.000 0.889 193 L HN 0.517 nan 8.230 nan 0.000 0.433 194 H N -0.920 117.965 119.070 -0.308 0.000 2.293 194 H HA -0.248 4.308 4.556 -0.000 0.000 0.300 194 H C 2.405 177.271 175.328 -0.770 0.000 1.082 194 H CA 1.565 57.330 56.048 -0.471 0.000 1.308 194 H CB 0.334 29.782 29.762 -0.524 0.000 1.375 194 H HN 0.203 nan 8.280 nan 0.000 0.495 195 Q N 0.528 119.876 119.800 -0.753 0.000 2.172 195 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 195 Q C 2.255 177.885 176.000 -0.615 0.000 0.964 195 Q CA 1.187 56.389 55.803 -1.001 0.000 0.855 195 Q CB -0.227 27.664 28.738 -1.412 0.000 0.918 195 Q HN 0.328 nan 8.270 nan 0.000 0.444 196 V N 0.084 119.761 119.914 -0.395 0.000 2.407 196 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 196 V C 2.172 178.413 176.094 0.245 0.000 1.055 196 V CA 1.899 64.122 62.300 -0.128 0.000 1.049 196 V CB -0.625 30.978 31.823 -0.367 0.000 0.662 196 V HN 0.355 nan 8.190 nan 0.000 0.455 197 S N -0.504 115.338 115.700 0.237 0.000 2.368 197 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 197 S C 1.798 176.705 174.600 0.511 0.000 1.030 197 S CA 1.565 60.066 58.200 0.501 0.000 0.999 197 S CB -0.412 63.142 63.200 0.590 0.000 0.844 197 S HN 0.592 nan 8.310 nan 0.000 0.459 198 F N 0.754 120.638 119.950 -0.111 0.000 2.113 198 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 198 F C 2.307 178.098 175.800 -0.015 0.000 1.103 198 F CA 0.304 58.193 58.000 -0.186 0.000 1.248 198 F CB -0.280 38.479 39.000 -0.402 0.000 0.999 198 F HN 0.186 nan 8.300 nan 0.000 0.475 199 L N -0.081 121.242 121.223 0.166 0.000 2.043 199 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 199 L C 1.532 178.385 176.870 -0.028 0.000 1.075 199 L CA 1.963 56.830 54.840 0.046 0.000 0.752 199 L CB -0.898 41.175 42.059 0.023 0.000 0.891 199 L HN -0.005 nan 8.230 nan 0.000 0.432 200 F N -0.705 119.360 119.950 0.191 0.000 2.773 200 F HA 0.161 4.688 4.527 -0.000 0.000 0.304 200 F C 1.668 177.576 175.800 0.181 0.000 1.129 200 F CA 0.224 58.341 58.000 0.195 0.000 1.378 200 F CB -0.570 38.568 39.000 0.229 0.000 1.095 200 F HN 0.162 nan 8.300 nan 0.000 0.565 201 S N -0.977 114.909 115.700 0.311 0.000 2.671 201 S HA 0.096 4.566 4.470 -0.000 0.000 0.272 201 S C 1.144 175.832 174.600 0.147 0.000 1.174 201 S CA -0.639 57.707 58.200 0.243 0.000 1.004 201 S CB 0.616 64.005 63.200 0.315 0.000 1.077 201 S HN 0.083 nan 8.310 nan 0.000 0.553 202 D N 0.478 120.940 120.400 0.103 0.000 2.221 202 D HA -0.067 4.573 4.640 -0.000 0.000 0.204 202 D C 1.691 178.028 176.300 0.062 0.000 0.982 202 D CA 1.124 55.164 54.000 0.066 0.000 0.857 202 D CB -0.285 40.539 40.800 0.039 0.000 0.934 202 D HN 0.524 nan 8.370 nan 0.000 0.475 203 R N 0.265 120.808 120.500 0.072 0.000 2.319 203 R HA 0.114 4.454 4.340 -0.000 0.000 0.204 203 R C 1.985 178.328 176.300 0.072 0.000 0.954 203 R CA 0.287 56.429 56.100 0.070 0.000 1.066 203 R CB -0.062 30.274 30.300 0.059 0.000 0.991 203 R HN 0.093 nan 8.270 nan 0.000 0.486 204 G N 0.992 109.828 108.800 0.059 0.000 2.471 204 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 204 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 204 G C 0.796 175.712 174.900 0.025 0.000 1.125 204 G CA 0.345 45.461 45.100 0.026 0.000 0.775 204 G HN 0.190 nan 8.290 nan 0.000 0.548 205 I N 2.135 122.726 120.570 0.034 0.000 2.698 205 I HA 0.234 4.404 4.170 -0.000 0.000 0.276 205 I C -2.473 173.670 176.117 0.043 0.000 1.166 205 I CA -1.985 59.333 61.300 0.030 0.000 1.101 205 I CB 2.164 40.167 38.000 0.005 0.000 1.305 205 I HN -0.109 nan 8.210 nan 0.000 0.526 206 P HA -0.016 nan 4.420 nan 0.000 0.272 206 P C -0.485 176.868 177.300 0.087 0.000 1.223 206 P CA -0.067 63.088 63.100 0.091 0.000 0.784 206 P CB 1.180 32.957 31.700 0.128 0.000 0.923 207 D N 1.357 121.823 120.400 0.110 0.000 2.508 207 D HA 0.323 4.963 4.640 -0.000 0.000 0.224 207 D C 0.916 177.361 176.300 0.241 0.000 1.171 207 D CA 0.755 54.854 54.000 0.165 0.000 1.006 207 D CB -1.133 39.718 40.800 0.087 0.000 1.073 207 D HN 0.665 nan 8.370 nan 0.000 0.513 208 G N 3.274 112.167 108.800 0.154 0.000 2.796 208 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.571 208 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.571 208 G C 0.692 175.460 174.900 -0.220 0.000 1.370 208 G CA -0.454 44.574 45.100 -0.120 0.000 0.856 208 G HN 0.562 nan 8.290 nan 0.000 0.538 209 H N 0.444 119.373 119.070 -0.235 0.000 2.512 209 H HA 0.061 4.617 4.556 -0.000 0.000 0.279 209 H C 2.712 177.806 175.328 -0.391 0.000 0.999 209 H CA 1.330 57.039 56.048 -0.565 0.000 1.283 209 H CB 0.152 29.073 29.762 -1.402 0.000 1.421 209 H HN 0.534 nan 8.280 nan 0.000 0.554 210 R N 0.250 120.646 120.500 -0.173 0.000 2.236 210 R HA -0.007 4.333 4.340 -0.000 0.000 0.208 210 R C 0.381 176.494 176.300 -0.312 0.000 1.036 210 R CA 0.550 56.527 56.100 -0.206 0.000 1.001 210 R CB 0.011 30.069 30.300 -0.403 0.000 0.896 210 R HN 0.433 nan 8.270 nan 0.000 0.464 211 H N 0.200 119.290 119.070 0.035 0.000 2.524 211 H HA 0.236 4.792 4.556 -0.000 0.000 0.297 211 H C -0.031 175.371 175.328 0.123 0.000 1.115 211 H CA -0.429 55.648 56.048 0.048 0.000 1.027 211 H CB 0.174 29.950 29.762 0.024 0.000 1.591 211 H HN 0.101 nan 8.280 nan 0.000 0.543 212 M N -1.834 117.951 119.600 0.307 0.000 2.618 212 M HA 0.520 5.000 4.480 -0.000 0.000 0.281 212 M C -1.346 175.250 176.300 0.494 0.000 1.267 212 M CA -1.213 54.286 55.300 0.332 0.000 0.845 212 M CB 2.154 34.923 32.600 0.282 0.000 1.732 212 M HN -0.199 nan 8.290 nan 0.000 0.461 213 N N 0.072 118.989 118.700 0.361 0.000 2.458 213 N HA 0.791 5.531 4.740 -0.000 0.000 0.271 213 N C -0.641 174.902 175.510 0.054 0.000 1.210 213 N CA -0.129 53.054 53.050 0.222 0.000 0.978 213 N CB 1.635 40.078 38.487 -0.075 0.000 1.206 213 N HN 0.894 nan 8.380 nan 0.000 0.536 214 G N -0.581 107.847 108.800 -0.619 0.000 2.571 214 G HA2 0.683 4.643 3.960 -0.000 0.000 0.304 214 G HA3 0.683 4.643 3.960 -0.000 0.000 0.304 214 G C -1.817 171.993 174.900 -1.818 0.000 1.314 214 G CA -0.301 44.030 45.100 -1.283 0.000 0.975 214 G HN 0.408 nan 8.290 nan 0.000 0.485 215 Y N -0.657 119.078 120.300 -0.942 0.000 2.544 215 Y HA 0.477 5.027 4.550 -0.000 0.000 0.342 215 Y C 1.146 176.919 175.900 -0.212 0.000 1.062 215 Y CA -0.465 57.311 58.100 -0.541 0.000 1.023 215 Y CB 2.500 40.730 38.460 -0.384 0.000 1.308 215 Y HN 0.652 nan 8.280 nan 0.000 0.457 216 G N -0.043 108.869 108.800 0.186 0.000 2.511 216 G HA2 0.111 4.071 3.960 -0.000 0.000 0.217 216 G HA3 0.111 4.071 3.960 -0.000 0.000 0.217 216 G C 0.844 175.871 174.900 0.210 0.000 1.133 216 G CA 0.930 46.240 45.100 0.351 0.000 0.792 216 G HN 0.731 nan 8.290 nan 0.000 0.539 217 S N -0.913 114.784 115.700 -0.005 0.000 1.577 217 S HA -0.240 4.230 4.470 -0.000 0.000 0.240 217 S C 0.885 175.311 174.600 -0.290 0.000 0.755 217 S CA 1.327 59.385 58.200 -0.236 0.000 1.398 217 S CB -1.287 61.710 63.200 -0.338 0.000 1.552 217 S HN 0.685 nan 8.310 nan 0.000 0.510 218 H N 2.081 121.070 119.070 -0.134 0.000 2.745 218 H HA 0.310 4.866 4.556 0.000 0.000 0.373 218 H C 0.491 175.571 175.328 -0.413 0.000 1.226 218 H CA 0.912 56.749 56.048 -0.352 0.000 1.435 218 H CB 0.057 29.419 29.762 -0.666 0.000 1.461 218 H HN 0.364 nan 8.280 nan 0.000 0.616 219 T N 2.901 117.305 114.554 -0.251 0.000 2.817 219 T HA 0.293 4.643 4.350 -0.000 0.000 0.293 219 T C 0.015 174.591 174.700 -0.207 0.000 0.964 219 T CA -0.094 61.896 62.100 -0.184 0.000 1.085 219 T CB -0.018 68.878 68.868 0.047 0.000 0.921 219 T HN 0.212 nan 8.240 nan 0.000 0.502 220 F N 1.300 121.326 119.950 0.128 0.000 2.631 220 F HA 0.631 5.158 4.527 -0.000 0.000 0.350 220 F C 0.472 176.450 175.800 0.297 0.000 1.080 220 F CA -1.181 56.942 58.000 0.204 0.000 1.026 220 F CB 1.519 40.674 39.000 0.258 0.000 1.347 220 F HN 0.232 nan 8.300 nan 0.000 0.501 221 K N 1.408 122.092 120.400 0.473 0.000 2.345 221 K HA 0.653 4.973 4.320 -0.000 0.000 0.255 221 K C -1.864 174.845 176.600 0.183 0.000 0.934 221 K CA -0.428 56.043 56.287 0.307 0.000 0.801 221 K CB 1.198 33.850 32.500 0.253 0.000 1.137 221 K HN 0.568 nan 8.250 nan 0.000 0.424 222 L N 4.120 125.399 121.223 0.093 0.000 2.329 222 L HA 0.564 4.904 4.340 -0.000 0.000 0.279 222 L C -0.860 176.002 176.870 -0.014 0.000 1.014 222 L CA -1.275 53.603 54.840 0.063 0.000 0.814 222 L CB 1.918 44.023 42.059 0.076 0.000 1.257 222 L HN 0.344 nan 8.230 nan 0.000 0.424 223 V N 1.957 121.864 119.914 -0.011 0.000 2.588 223 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 223 V C -0.319 175.772 176.094 -0.006 0.000 1.042 223 V CA -0.861 61.404 62.300 -0.057 0.000 0.877 223 V CB 1.862 33.656 31.823 -0.048 0.000 0.996 223 V HN 0.907 nan 8.190 nan 0.000 0.425 224 N N 3.927 122.618 118.700 -0.015 0.000 2.538 224 N HA 0.505 5.245 4.740 -0.000 0.000 0.292 224 N C 1.085 176.594 175.510 -0.001 0.000 1.262 224 N CA -0.129 52.923 53.050 0.003 0.000 0.976 224 N CB 0.946 39.428 38.487 -0.009 0.000 1.161 224 N HN 0.555 nan 8.380 nan 0.000 0.598 225 A N -0.358 122.463 122.820 0.002 0.000 2.024 225 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 225 A C 1.256 178.839 177.584 -0.001 0.000 1.164 225 A CA 1.424 53.462 52.037 0.002 0.000 0.643 225 A CB -1.214 17.788 19.000 0.003 0.000 0.806 225 A HN 0.828 nan 8.150 nan 0.000 0.451 226 N N -1.267 117.428 118.700 -0.009 0.000 2.322 226 N HA 0.317 5.057 4.740 -0.000 0.000 0.194 226 N C 0.936 176.444 175.510 -0.004 0.000 1.126 226 N CA 0.446 53.490 53.050 -0.010 0.000 0.845 226 N CB 0.264 38.739 38.487 -0.020 0.000 0.976 226 N HN 0.564 nan 8.380 nan 0.000 0.475 227 G N 0.960 109.762 108.800 0.004 0.000 2.162 227 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 227 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 227 G C -0.241 174.666 174.900 0.012 0.000 0.976 227 G CA -0.060 45.060 45.100 0.033 0.000 0.655 227 G HN 0.407 nan 8.290 nan 0.000 0.533 228 E N 0.347 120.513 120.200 -0.057 0.000 2.331 228 E HA 0.611 4.961 4.350 -0.000 0.000 0.272 228 E C 0.431 176.880 176.600 -0.252 0.000 1.036 228 E CA 0.253 56.570 56.400 -0.139 0.000 0.864 228 E CB 1.323 30.958 29.700 -0.109 0.000 1.035 228 E HN 0.712 nan 8.360 nan 0.000 0.408 229 A N 2.035 124.562 122.820 -0.489 0.000 2.413 229 A HA 0.736 5.056 4.320 -0.000 0.000 0.307 229 A C -0.699 176.563 177.584 -0.537 0.000 1.087 229 A CA -0.690 50.991 52.037 -0.593 0.000 0.750 229 A CB 1.375 19.735 19.000 -1.067 0.000 1.296 229 A HN 0.437 nan 8.150 nan 0.000 0.423 230 V N -1.882 117.911 119.914 -0.201 0.000 3.159 230 V HA 0.784 4.904 4.120 -0.000 0.000 0.308 230 V C -1.354 174.759 176.094 0.031 0.000 1.190 230 V CA -1.055 61.241 62.300 -0.008 0.000 1.037 230 V CB 1.168 33.005 31.823 0.023 0.000 1.060 230 V HN 0.783 nan 8.190 nan 0.000 0.437 231 Y N 1.074 121.553 120.300 0.299 0.000 2.403 231 Y HA 0.839 5.389 4.550 -0.000 0.000 0.323 231 Y C 0.678 176.749 175.900 0.285 0.000 1.226 231 Y CA -0.118 58.155 58.100 0.288 0.000 1.235 231 Y CB 1.646 40.282 38.460 0.293 0.000 1.248 231 Y HN 1.268 nan 8.280 nan 0.000 0.489 232 C N 0.668 120.227 119.300 0.432 0.000 3.291 232 C HA 0.816 5.276 4.460 -0.000 0.000 0.316 232 C C -1.670 173.192 174.990 -0.213 0.000 1.391 232 C CA -1.226 57.869 59.018 0.129 0.000 1.394 232 C CB 2.105 29.741 27.740 -0.173 0.000 1.744 232 C HN 0.726 nan 8.230 nan 0.000 0.461 233 K N 0.867 121.039 120.400 -0.380 0.000 2.427 233 K HA 0.623 4.943 4.320 -0.000 0.000 0.252 233 K C -1.774 174.682 176.600 -0.241 0.000 0.931 233 K CA -0.101 55.945 56.287 -0.401 0.000 0.793 233 K CB 1.799 33.999 32.500 -0.501 0.000 1.211 233 K HN 0.728 nan 8.250 nan 0.000 0.426 234 F N 2.242 122.224 119.950 0.054 0.000 2.420 234 F HA 0.366 4.893 4.527 -0.000 0.000 0.342 234 F C 0.808 176.534 175.800 -0.123 0.000 1.113 234 F CA -0.293 57.698 58.000 -0.015 0.000 1.059 234 F CB 1.068 40.078 39.000 0.018 0.000 1.128 234 F HN 0.255 nan 8.300 nan 0.000 0.475 235 H N 3.231 122.303 119.070 0.004 0.000 2.667 235 H HA 0.302 4.858 4.556 -0.000 0.000 0.353 235 H C -1.509 173.812 175.328 -0.011 0.000 1.072 235 H CA -0.827 55.182 56.048 -0.065 0.000 1.214 235 H CB 2.101 31.887 29.762 0.041 0.000 1.600 235 H HN 0.692 nan 8.280 nan 0.000 0.527 236 Y N 0.433 120.630 120.300 -0.172 0.000 2.488 236 Y HA 0.419 4.969 4.550 -0.000 0.000 0.330 236 Y C -0.513 175.520 175.900 0.221 0.000 1.013 236 Y CA -1.165 56.959 58.100 0.040 0.000 1.304 236 Y CB 0.727 39.179 38.460 -0.013 0.000 1.098 236 Y HN 0.194 nan 8.280 nan 0.000 0.498 237 K N 1.891 122.555 120.400 0.440 0.000 2.234 237 K HA 0.214 4.534 4.320 -0.000 0.000 0.282 237 K C 0.244 177.089 176.600 0.407 0.000 1.039 237 K CA -0.680 55.834 56.287 0.379 0.000 0.928 237 K CB 1.495 34.183 32.500 0.314 0.000 1.039 237 K HN 0.701 nan 8.250 nan 0.000 0.470 238 T N 1.800 116.529 114.554 0.292 0.000 2.867 238 T HA -0.028 4.322 4.350 -0.000 0.000 0.297 238 T C 0.461 175.064 174.700 -0.160 0.000 0.989 238 T CA -0.244 61.740 62.100 -0.195 0.000 1.159 238 T CB 0.140 68.967 68.868 -0.068 0.000 0.928 238 T HN 0.405 nan 8.240 nan 0.000 0.538 239 D N 3.872 124.086 120.400 -0.310 0.000 2.355 239 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 239 D C 1.557 177.771 176.300 -0.143 0.000 1.004 239 D CA 0.579 54.491 54.000 -0.147 0.000 0.880 239 D CB 0.369 41.096 40.800 -0.122 0.000 0.911 239 D HN 0.603 nan 8.370 nan 0.000 0.528 240 Q N 0.010 119.675 119.800 -0.225 0.000 2.360 240 Q HA 0.338 4.678 4.340 -0.000 0.000 0.202 240 Q C 0.701 176.753 176.000 0.085 0.000 0.915 240 Q CA 0.182 55.908 55.803 -0.129 0.000 0.943 240 Q CB 0.764 29.284 28.738 -0.364 0.000 1.064 240 Q HN 0.179 nan 8.270 nan 0.000 0.511 241 G N 0.674 109.511 108.800 0.061 0.000 2.722 241 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 241 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 241 G C -0.676 174.334 174.900 0.183 0.000 1.282 241 G CA -0.945 44.223 45.100 0.113 0.000 0.817 241 G HN 0.085 nan 8.290 nan 0.000 0.605 242 I N 1.557 122.201 120.570 0.123 0.000 2.598 242 I HA 0.299 4.468 4.170 -0.000 0.000 0.284 242 I C 0.752 176.903 176.117 0.057 0.000 1.140 242 I CA 0.740 62.114 61.300 0.123 0.000 1.420 242 I CB 1.063 39.122 38.000 0.098 0.000 1.387 242 I HN 0.645 nan 8.210 nan 0.000 0.553 243 K N 6.285 126.711 120.400 0.043 0.000 2.535 243 K HA 0.416 4.736 4.320 -0.000 0.000 0.251 243 K C -1.192 175.399 176.600 -0.015 0.000 0.942 243 K CA -0.648 55.583 56.287 -0.092 0.000 0.798 243 K CB 1.797 34.026 32.500 -0.453 0.000 1.267 243 K HN 0.540 nan 8.250 nan 0.000 0.434 244 N N 3.253 121.943 118.700 -0.017 0.000 2.381 244 N HA 0.482 5.222 4.740 -0.000 0.000 0.294 244 N C -0.952 174.550 175.510 -0.012 0.000 1.216 244 N CA -0.614 52.441 53.050 0.009 0.000 0.803 244 N CB 1.454 39.954 38.487 0.022 0.000 1.372 244 N HN 0.393 nan 8.380 nan 0.000 0.500 245 L N 0.835 122.051 121.223 -0.011 0.000 2.322 245 L HA 0.356 4.696 4.340 -0.000 0.000 0.279 245 L C 0.960 177.816 176.870 -0.023 0.000 1.036 245 L CA -0.681 54.137 54.840 -0.037 0.000 0.807 245 L CB 1.420 43.433 42.059 -0.077 0.000 1.226 245 L HN 0.627 nan 8.230 nan 0.000 0.433 246 S N 1.329 117.014 115.700 -0.025 0.000 2.593 246 S HA 0.143 4.613 4.470 -0.000 0.000 0.269 246 S C 1.157 175.753 174.600 -0.006 0.000 1.334 246 S CA -0.877 57.319 58.200 -0.008 0.000 1.015 246 S CB 1.461 64.656 63.200 -0.008 0.000 0.912 246 S HN 0.346 nan 8.310 nan 0.000 0.541 247 V N 1.467 121.390 119.914 0.016 0.000 2.332 247 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 247 V C 2.786 178.887 176.094 0.012 0.000 1.055 247 V CA 2.445 64.760 62.300 0.026 0.000 1.038 247 V CB -1.147 30.710 31.823 0.056 0.000 0.651 247 V HN 1.054 nan 8.190 nan 0.000 0.450 248 E N -0.163 120.042 120.200 0.009 0.000 2.031 248 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 248 E C 1.903 178.491 176.600 -0.020 0.000 0.994 248 E CA 1.623 58.024 56.400 0.002 0.000 0.800 248 E CB -0.099 29.603 29.700 0.005 0.000 0.752 248 E HN 0.594 nan 8.360 nan 0.000 0.447 249 D N 0.211 120.589 120.400 -0.036 0.000 2.144 249 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 249 D C 1.801 178.038 176.300 -0.104 0.000 0.984 249 D CA 1.241 55.200 54.000 -0.069 0.000 0.834 249 D CB -0.292 40.461 40.800 -0.078 0.000 0.955 249 D HN 0.289 nan 8.370 nan 0.000 0.465 250 A N 1.089 123.856 122.820 -0.090 0.000 1.902 250 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 250 A C 2.320 179.861 177.584 -0.072 0.000 1.181 250 A CA 2.170 54.146 52.037 -0.101 0.000 0.623 250 A CB -0.644 18.320 19.000 -0.060 0.000 0.818 250 A HN 0.237 nan 8.150 nan 0.000 0.443 251 A N -0.273 122.524 122.820 -0.038 0.000 1.873 251 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 251 A C 2.265 179.833 177.584 -0.027 0.000 1.186 251 A CA 1.736 53.762 52.037 -0.018 0.000 0.616 251 A CB -0.505 18.496 19.000 0.002 0.000 0.823 251 A HN 0.566 nan 8.150 nan 0.000 0.442 252 R N -0.313 120.165 120.500 -0.036 0.000 2.073 252 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 252 R C 1.944 178.216 176.300 -0.048 0.000 1.134 252 R CA 1.552 57.632 56.100 -0.034 0.000 0.952 252 R CB -0.406 29.874 30.300 -0.034 0.000 0.850 252 R HN 0.503 nan 8.270 nan 0.000 0.433 253 L N 0.977 122.145 121.223 -0.092 0.000 2.131 253 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 253 L C 2.599 179.431 176.870 -0.064 0.000 1.092 253 L CA 1.442 56.209 54.840 -0.121 0.000 0.759 253 L CB -0.427 41.446 42.059 -0.310 0.000 0.903 253 L HN 0.387 nan 8.230 nan 0.000 0.435 254 S N -0.998 114.670 115.700 -0.052 0.000 2.442 254 S HA -0.244 4.226 4.470 -0.000 0.000 0.236 254 S C 1.880 176.479 174.600 -0.002 0.000 1.007 254 S CA 1.178 59.367 58.200 -0.018 0.000 0.965 254 S CB -0.164 63.028 63.200 -0.014 0.000 0.773 254 S HN 0.523 nan 8.310 nan 0.000 0.504 255 Q N 0.965 120.762 119.800 -0.006 0.000 2.304 255 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 255 Q C 1.777 177.781 176.000 0.008 0.000 0.936 255 Q CA 0.937 56.742 55.803 0.003 0.000 0.878 255 Q CB -0.144 28.595 28.738 0.002 0.000 0.983 255 Q HN 0.766 nan 8.270 nan 0.000 0.516 256 E N 0.444 120.646 120.200 0.005 0.000 2.107 256 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 256 E C -0.122 176.497 176.600 0.032 0.000 0.982 256 E CA 0.884 57.294 56.400 0.016 0.000 0.809 256 E CB 0.310 30.018 29.700 0.013 0.000 0.756 256 E HN 0.113 nan 8.360 nan 0.000 0.459 257 D N -1.211 119.214 120.400 0.043 0.000 2.411 257 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 257 D C -2.373 173.978 176.300 0.084 0.000 1.307 257 D CA -1.917 52.129 54.000 0.076 0.000 0.930 257 D CB 1.175 42.057 40.800 0.137 0.000 1.395 257 D HN -0.262 nan 8.370 nan 0.000 0.536 258 P HA 0.019 nan 4.420 nan 0.000 0.225 258 P C 0.003 177.351 177.300 0.080 0.000 1.148 258 P CA 0.772 63.906 63.100 0.056 0.000 0.779 258 P CB 0.350 32.071 31.700 0.036 0.000 0.780 259 D N -2.588 117.863 120.400 0.084 0.000 2.525 259 D HA 0.044 4.684 4.640 -0.000 0.000 0.229 259 D C 1.109 177.472 176.300 0.105 0.000 1.202 259 D CA -0.413 53.636 54.000 0.082 0.000 0.828 259 D CB -0.512 40.306 40.800 0.031 0.000 1.008 259 D HN 0.188 nan 8.370 nan 0.000 0.493 260 Y N 1.906 122.207 120.300 0.002 0.000 2.102 260 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 260 Y C 2.297 178.177 175.900 -0.033 0.000 1.178 260 Y CA 2.293 60.386 58.100 -0.012 0.000 1.146 260 Y CB -0.079 38.367 38.460 -0.023 0.000 0.968 260 Y HN 0.103 nan 8.280 nan 0.000 0.504 261 G N 0.061 108.860 108.800 -0.003 0.000 2.402 261 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 261 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 261 G C 1.659 176.536 174.900 -0.038 0.000 1.162 261 G CA 1.211 46.174 45.100 -0.230 0.000 0.777 261 G HN 0.504 nan 8.290 nan 0.000 0.539 262 I N -0.022 120.612 120.570 0.107 0.000 2.142 262 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 262 I C 2.839 179.030 176.117 0.124 0.000 1.078 262 I CA 1.252 62.657 61.300 0.175 0.000 1.343 262 I CB -0.266 37.816 38.000 0.136 0.000 1.046 262 I HN 0.098 nan 8.210 nan 0.000 0.405 263 R N 0.983 121.498 120.500 0.026 0.000 2.083 263 R HA -0.265 4.075 4.340 -0.000 0.000 0.237 263 R C 2.013 178.315 176.300 0.002 0.000 1.137 263 R CA 2.506 58.613 56.100 0.012 0.000 0.951 263 R CB -0.380 29.895 30.300 -0.041 0.000 0.851 263 R HN 0.381 nan 8.270 nan 0.000 0.434 264 D N -0.221 120.078 120.400 -0.168 0.000 2.104 264 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 264 D C 1.931 178.201 176.300 -0.049 0.000 0.994 264 D CA 1.261 55.136 54.000 -0.208 0.000 0.830 264 D CB -0.036 40.492 40.800 -0.454 0.000 0.959 264 D HN 0.203 nan 8.370 nan 0.000 0.452 265 L N -0.628 120.607 121.223 0.021 0.000 2.056 265 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 265 L C 1.965 178.934 176.870 0.164 0.000 1.078 265 L CA 1.508 56.411 54.840 0.106 0.000 0.749 265 L CB -0.927 41.252 42.059 0.200 0.000 0.901 265 L HN 0.177 nan 8.230 nan 0.000 0.433 266 F N 0.414 120.417 119.950 0.087 0.000 2.075 266 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 266 F C 2.341 178.195 175.800 0.091 0.000 1.113 266 F CA 1.906 59.973 58.000 0.111 0.000 1.218 266 F CB -0.357 38.708 39.000 0.109 0.000 0.984 266 F HN 0.220 nan 8.300 nan 0.000 0.472 267 N N 0.619 119.497 118.700 0.297 0.000 2.223 267 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 267 N C 1.947 177.490 175.510 0.056 0.000 1.016 267 N CA 1.273 54.432 53.050 0.181 0.000 0.863 267 N CB -0.747 37.826 38.487 0.143 0.000 0.983 267 N HN 0.419 nan 8.380 nan 0.000 0.429 268 A N 1.239 124.078 122.820 0.032 0.000 1.877 268 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 268 A C 2.326 179.906 177.584 -0.006 0.000 1.186 268 A CA 0.983 53.017 52.037 -0.005 0.000 0.620 268 A CB -0.663 18.331 19.000 -0.010 0.000 0.822 268 A HN 0.208 nan 8.150 nan 0.000 0.443 269 I N -0.307 120.283 120.570 0.034 0.000 2.252 269 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 269 I C 2.924 179.075 176.117 0.057 0.000 1.102 269 I CA 0.979 62.355 61.300 0.127 0.000 1.385 269 I CB -0.334 37.718 38.000 0.087 0.000 1.064 269 I HN 0.351 nan 8.210 nan 0.000 0.414 270 A N 0.586 123.348 122.820 -0.096 0.000 2.019 270 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 270 A C 2.220 179.797 177.584 -0.012 0.000 1.164 270 A CA 2.208 54.198 52.037 -0.078 0.000 0.644 270 A CB -0.993 17.960 19.000 -0.078 0.000 0.805 270 A HN 0.535 nan 8.150 nan 0.000 0.449 271 T N -4.932 109.603 114.554 -0.031 0.000 3.122 271 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 271 T C 1.288 175.897 174.700 -0.150 0.000 1.067 271 T CA 0.976 63.044 62.100 -0.054 0.000 0.966 271 T CB 0.191 69.041 68.868 -0.031 0.000 1.002 271 T HN 1.637 nan 8.240 nan 0.000 0.542 272 G N 2.091 110.729 108.800 -0.269 0.000 2.176 272 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 272 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 272 G C 0.145 174.533 174.900 -0.853 0.000 0.979 272 G CA -0.046 44.645 45.100 -0.681 0.000 0.641 272 G HN 0.604 nan 8.290 nan 0.000 0.530 273 K N 1.145 121.282 120.400 -0.439 0.000 2.307 273 K HA 0.317 4.636 4.320 -0.000 0.000 0.240 273 K C -0.309 176.189 176.600 -0.169 0.000 1.214 273 K CA -0.385 55.737 56.287 -0.275 0.000 1.149 273 K CB -0.145 32.273 32.500 -0.137 0.000 1.668 273 K HN 0.513 nan 8.250 nan 0.000 0.314 274 Y N 3.197 123.487 120.300 -0.017 0.000 2.605 274 Y HA 0.017 4.567 4.550 0.000 0.000 0.336 274 Y C -1.401 174.473 175.900 -0.042 0.000 1.111 274 Y CA -2.200 55.895 58.100 -0.008 0.000 1.422 274 Y CB -0.209 38.260 38.460 0.014 0.000 1.193 274 Y HN 0.349 nan 8.280 nan 0.000 0.526 275 P HA 0.096 nan 4.420 nan 0.000 0.275 275 P C -0.727 176.516 177.300 -0.095 0.000 1.228 275 P CA -0.232 62.796 63.100 -0.119 0.000 0.786 275 P CB 1.641 33.264 31.700 -0.128 0.000 0.927 276 S N 1.527 117.013 115.700 -0.357 0.000 2.627 276 S HA 0.727 5.197 4.470 -0.000 0.000 0.283 276 S C -1.490 172.935 174.600 -0.290 0.000 1.127 276 S CA -0.786 57.365 58.200 -0.081 0.000 0.863 276 S CB 1.692 64.901 63.200 0.015 0.000 1.121 276 S HN 0.540 nan 8.310 nan 0.000 0.479 277 W N 0.571 121.989 121.300 0.197 0.000 2.998 277 W HA 0.382 5.042 4.660 0.000 0.000 0.335 277 W C -0.971 175.687 176.519 0.232 0.000 1.110 277 W CA -0.683 56.818 57.345 0.259 0.000 1.230 277 W CB 2.457 32.158 29.460 0.402 0.000 1.405 277 W HN 0.598 nan 8.180 nan 0.000 0.493 278 T N 3.172 117.946 114.554 0.367 0.000 2.749 278 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 278 T C -0.634 174.172 174.700 0.176 0.000 0.936 278 T CA -0.051 62.152 62.100 0.171 0.000 1.060 278 T CB 0.301 69.167 68.868 -0.003 0.000 0.904 278 T HN 0.137 nan 8.240 nan 0.000 0.500 279 F N 4.582 124.569 119.950 0.061 0.000 2.424 279 F HA 0.495 5.022 4.527 -0.000 0.000 0.356 279 F C -0.707 175.109 175.800 0.026 0.000 1.110 279 F CA -0.494 57.627 58.000 0.202 0.000 1.161 279 F CB 0.293 39.542 39.000 0.416 0.000 1.115 279 F HN 0.524 nan 8.300 nan 0.000 0.507 280 Y N 5.390 125.704 120.300 0.023 0.000 2.633 280 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 280 Y C -0.277 175.620 175.900 -0.004 0.000 1.045 280 Y CA -1.345 56.785 58.100 0.049 0.000 1.098 280 Y CB 1.675 40.137 38.460 0.003 0.000 1.296 280 Y HN 0.451 nan 8.280 nan 0.000 0.494 281 I N -1.318 119.385 120.570 0.222 0.000 2.865 281 I HA 0.653 4.823 4.170 -0.000 0.000 0.302 281 I C -1.551 174.612 176.117 0.076 0.000 1.140 281 I CA -1.134 60.223 61.300 0.094 0.000 1.021 281 I CB 2.530 40.517 38.000 -0.022 0.000 1.233 281 I HN 0.499 nan 8.210 nan 0.000 0.427 282 Q N 2.619 122.473 119.800 0.091 0.000 2.309 282 Q HA 0.744 5.084 4.340 -0.000 0.000 0.264 282 Q C -1.420 174.721 176.000 0.236 0.000 1.008 282 Q CA -1.045 54.884 55.803 0.210 0.000 0.853 282 Q CB 3.307 32.273 28.738 0.380 0.000 1.314 282 Q HN 0.592 nan 8.270 nan 0.000 0.448 283 V N 2.980 123.012 119.914 0.197 0.000 2.540 283 V HA 0.506 4.626 4.120 -0.000 0.000 0.302 283 V C -0.669 175.489 176.094 0.106 0.000 1.035 283 V CA -0.647 61.690 62.300 0.061 0.000 0.873 283 V CB 1.805 33.429 31.823 -0.333 0.000 0.992 283 V HN 0.772 nan 8.190 nan 0.000 0.428 284 M N 5.055 124.640 119.600 -0.025 0.000 2.197 284 M HA 0.492 4.971 4.480 -0.000 0.000 0.301 284 M C 0.143 176.467 176.300 0.040 0.000 0.987 284 M CA -0.301 54.868 55.300 -0.217 0.000 0.921 284 M CB 1.919 33.847 32.600 -1.120 0.000 1.569 284 M HN 0.879 nan 8.290 nan 0.000 0.431 285 T N 1.161 115.775 114.554 0.099 0.000 2.813 285 T HA 0.237 4.587 4.350 -0.000 0.000 0.297 285 T C 0.773 175.661 174.700 0.314 0.000 1.036 285 T CA -0.329 61.881 62.100 0.183 0.000 1.044 285 T CB 0.454 69.396 68.868 0.123 0.000 0.993 285 T HN 0.541 nan 8.240 nan 0.000 0.535 286 F N 1.171 121.134 119.950 0.022 0.000 2.216 286 F HA -0.011 4.515 4.527 -0.000 0.000 0.300 286 F C 2.351 178.198 175.800 0.078 0.000 1.085 286 F CA 0.723 58.778 58.000 0.091 0.000 1.326 286 F CB -1.257 37.770 39.000 0.044 0.000 1.027 286 F HN 0.522 nan 8.300 nan 0.000 0.497 287 N N 0.214 119.051 118.700 0.229 0.000 2.106 287 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 287 N C 1.830 177.394 175.510 0.090 0.000 1.029 287 N CA 1.147 54.274 53.050 0.129 0.000 0.848 287 N CB -0.602 37.940 38.487 0.090 0.000 1.007 287 N HN 0.399 nan 8.380 nan 0.000 0.423 288 Q N 0.208 120.059 119.800 0.085 0.000 2.170 288 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 288 Q C 1.966 177.963 176.000 -0.004 0.000 0.976 288 Q CA 1.301 57.141 55.803 0.061 0.000 0.858 288 Q CB -0.120 28.674 28.738 0.094 0.000 0.907 288 Q HN 0.384 nan 8.270 nan 0.000 0.433 289 A N 1.122 123.913 122.820 -0.049 0.000 1.972 289 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 289 A C 1.819 179.359 177.584 -0.074 0.000 1.169 289 A CA 1.146 53.082 52.037 -0.169 0.000 0.635 289 A CB -0.143 18.783 19.000 -0.124 0.000 0.810 289 A HN 0.170 nan 8.150 nan 0.000 0.446 290 E N -0.475 119.729 120.200 0.007 0.000 2.285 290 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 290 E C 1.934 178.545 176.600 0.018 0.000 0.997 290 E CA 1.558 57.970 56.400 0.020 0.000 0.845 290 E CB -0.351 29.375 29.700 0.042 0.000 0.782 290 E HN 0.814 nan 8.360 nan 0.000 0.491 291 T N -2.622 111.952 114.554 0.034 0.000 3.040 291 T HA 0.115 4.465 4.350 -0.000 0.000 0.250 291 T C 0.626 175.354 174.700 0.046 0.000 1.058 291 T CA -0.517 61.599 62.100 0.027 0.000 0.988 291 T CB -0.459 68.425 68.868 0.028 0.000 0.993 291 T HN -0.034 nan 8.240 nan 0.000 0.519 292 F N 4.673 124.554 119.950 -0.114 0.000 2.602 292 F HA 0.197 4.724 4.527 -0.000 0.000 0.385 292 F C -0.808 174.898 175.800 -0.157 0.000 1.063 292 F CA -2.107 55.816 58.000 -0.128 0.000 1.233 292 F CB 1.081 39.959 39.000 -0.203 0.000 1.067 292 F HN -0.009 nan 8.300 nan 0.000 0.564 293 P HA -0.145 nan 4.420 nan 0.000 0.223 293 P C -0.382 176.370 177.300 -0.914 0.000 1.144 293 P CA 1.391 64.021 63.100 -0.784 0.000 0.783 293 P CB -0.031 31.094 31.700 -0.958 0.000 0.771 294 F N -0.974 118.679 119.950 -0.494 0.000 2.740 294 F HA 0.395 4.922 4.527 -0.000 0.000 0.357 294 F C 0.847 176.678 175.800 0.051 0.000 1.141 294 F CA -1.594 56.293 58.000 -0.189 0.000 1.044 294 F CB -0.289 38.614 39.000 -0.162 0.000 1.430 294 F HN -0.362 nan 8.300 nan 0.000 0.518 295 N N 3.182 122.059 118.700 0.294 0.000 2.420 295 N HA 0.182 4.922 4.740 -0.000 0.000 0.262 295 N C -1.806 173.779 175.510 0.126 0.000 1.144 295 N CA -2.187 50.947 53.050 0.141 0.000 0.952 295 N CB 0.822 39.376 38.487 0.111 0.000 1.081 295 N HN 0.149 nan 8.380 nan 0.000 0.480 296 P HA -0.075 nan 4.420 nan 0.000 0.228 296 P C 0.037 177.063 177.300 -0.456 0.000 1.151 296 P CA 0.997 63.815 63.100 -0.470 0.000 0.770 296 P CB -0.043 31.050 31.700 -1.012 0.000 0.786 297 F N -0.512 119.423 119.950 -0.024 0.000 2.641 297 F HA 0.250 4.777 4.527 0.000 0.000 0.302 297 F C 0.783 176.566 175.800 -0.028 0.000 1.098 297 F CA -1.260 56.690 58.000 -0.083 0.000 1.318 297 F CB -0.610 38.305 39.000 -0.142 0.000 1.035 297 F HN -0.157 nan 8.300 nan 0.000 0.551 298 D N 1.324 121.788 120.400 0.106 0.000 2.339 298 D HA 0.046 4.685 4.640 -0.000 0.000 0.241 298 D C 1.152 177.465 176.300 0.022 0.000 1.183 298 D CA -0.059 53.987 54.000 0.077 0.000 0.859 298 D CB 1.078 41.923 40.800 0.075 0.000 1.067 298 D HN 0.097 nan 8.370 nan 0.000 0.484 299 L N 3.999 125.234 121.223 0.020 0.000 2.450 299 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 299 L C 1.958 178.766 176.870 -0.103 0.000 1.149 299 L CA 1.639 56.453 54.840 -0.042 0.000 0.816 299 L CB -0.653 41.410 42.059 0.005 0.000 0.932 299 L HN 0.627 nan 8.230 nan 0.000 0.449 300 T N -4.194 110.309 114.554 -0.084 0.000 3.144 300 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 300 T C 0.598 175.243 174.700 -0.091 0.000 1.089 300 T CA -0.341 61.677 62.100 -0.137 0.000 0.989 300 T CB -0.063 68.740 68.868 -0.107 0.000 0.992 300 T HN -0.034 nan 8.240 nan 0.000 0.540 301 K N 1.845 122.189 120.400 -0.093 0.000 2.318 301 K HA 0.659 4.979 4.320 -0.000 0.000 0.249 301 K C -0.238 176.344 176.600 -0.031 0.000 0.942 301 K CA -0.758 55.502 56.287 -0.045 0.000 0.808 301 K CB 2.608 35.111 32.500 0.006 0.000 1.189 301 K HN 0.183 nan 8.250 nan 0.000 0.428 302 V N -2.115 117.838 119.914 0.066 0.000 3.096 302 V HA 0.628 4.748 4.120 -0.000 0.000 0.319 302 V C -1.061 175.223 176.094 0.316 0.000 1.103 302 V CA -0.984 61.334 62.300 0.031 0.000 1.016 302 V CB 1.645 33.486 31.823 0.029 0.000 1.090 302 V HN 0.563 nan 8.190 nan 0.000 0.449 303 W N 0.939 122.251 121.300 0.021 0.000 2.294 303 W HA 0.604 5.264 4.660 -0.000 0.000 0.314 303 W C -2.564 174.047 176.519 0.153 0.000 1.044 303 W CA -2.838 54.533 57.345 0.045 0.000 1.284 303 W CB 0.189 29.470 29.460 -0.299 0.000 1.231 303 W HN 0.428 nan 8.180 nan 0.000 0.419 304 P HA -0.060 nan 4.420 nan 0.000 0.262 304 P C 0.849 178.316 177.300 0.279 0.000 1.182 304 P CA 0.768 64.028 63.100 0.267 0.000 0.761 304 P CB 0.590 32.464 31.700 0.291 0.000 0.795 305 H N 1.538 120.744 119.070 0.227 0.000 2.387 305 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 305 H C 1.572 176.958 175.328 0.097 0.000 1.099 305 H CA 1.398 57.531 56.048 0.141 0.000 1.315 305 H CB 0.099 29.902 29.762 0.069 0.000 1.380 305 H HN 0.323 nan 8.280 nan 0.000 0.513 306 K N 0.391 120.913 120.400 0.203 0.000 2.097 306 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 306 K C 1.527 178.140 176.600 0.021 0.000 1.049 306 K CA 1.422 57.768 56.287 0.098 0.000 0.933 306 K CB 0.055 32.603 32.500 0.079 0.000 0.717 306 K HN 0.388 nan 8.250 nan 0.000 0.442 307 D N -1.411 118.991 120.400 0.002 0.000 2.249 307 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 307 D C -0.191 175.734 176.300 -0.625 0.000 0.962 307 D CA 0.867 54.703 54.000 -0.273 0.000 0.860 307 D CB 0.298 40.962 40.800 -0.226 0.000 0.955 307 D HN 0.204 nan 8.370 nan 0.000 0.505 308 Y N 0.185 120.555 120.300 0.117 0.000 2.705 308 Y HA 0.321 4.871 4.550 -0.000 0.000 0.355 308 Y C -2.445 173.542 175.900 0.145 0.000 1.039 308 Y CA -2.377 55.797 58.100 0.124 0.000 1.233 308 Y CB 1.507 40.084 38.460 0.195 0.000 1.103 308 Y HN -0.223 nan 8.280 nan 0.000 0.624 309 P HA 0.039 nan 4.420 nan 0.000 0.269 309 P C -0.144 177.185 177.300 0.048 0.000 1.209 309 P CA -0.039 63.109 63.100 0.081 0.000 0.776 309 P CB 0.923 32.645 31.700 0.037 0.000 0.876 310 L N 3.444 124.616 121.223 -0.084 0.000 2.410 310 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 310 L C 0.458 177.338 176.870 0.015 0.000 1.152 310 L CA 0.184 54.923 54.840 -0.167 0.000 0.855 310 L CB -0.175 41.518 42.059 -0.610 0.000 1.129 310 L HN 0.257 nan 8.230 nan 0.000 0.463 311 I N 5.795 126.445 120.570 0.135 0.000 2.355 311 I HA 0.282 4.451 4.170 -0.000 0.000 0.288 311 I C -1.993 174.262 176.117 0.231 0.000 0.999 311 I CA -2.096 59.297 61.300 0.155 0.000 1.163 311 I CB 1.750 39.824 38.000 0.123 0.000 1.316 311 I HN 0.360 nan 8.210 nan 0.000 0.454 312 P HA 0.043 nan 4.420 nan 0.000 0.268 312 P C 0.147 177.398 177.300 -0.082 0.000 1.204 312 P CA 0.111 63.116 63.100 -0.158 0.000 0.768 312 P CB 2.169 33.559 31.700 -0.516 0.000 0.842 313 V N 1.801 121.791 119.914 0.126 0.000 3.103 313 V HA 0.417 4.536 4.120 -0.000 0.000 0.229 313 V C 1.095 177.416 176.094 0.378 0.000 1.304 313 V CA 1.323 63.817 62.300 0.324 0.000 1.298 313 V CB 0.219 32.328 31.823 0.477 0.000 1.093 313 V HN 0.855 nan 8.190 nan 0.000 0.489 314 G N -0.314 108.718 108.800 0.386 0.000 2.510 314 G HA2 0.494 4.454 3.960 -0.000 0.000 0.277 314 G HA3 0.494 4.454 3.960 -0.000 0.000 0.277 314 G C -1.948 173.070 174.900 0.196 0.000 1.223 314 G CA -0.435 44.759 45.100 0.156 0.000 0.887 314 G HN -0.040 nan 8.290 nan 0.000 0.485 315 K N 0.077 120.500 120.400 0.037 0.000 2.498 315 K HA 0.516 4.836 4.320 -0.000 0.000 0.254 315 K C -1.350 175.372 176.600 0.203 0.000 0.933 315 K CA -0.551 55.837 56.287 0.168 0.000 0.806 315 K CB 2.574 35.131 32.500 0.096 0.000 1.301 315 K HN 0.363 nan 8.250 nan 0.000 0.432 316 L N 2.485 123.895 121.223 0.310 0.000 2.287 316 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 316 L C -0.497 176.474 176.870 0.168 0.000 1.022 316 L CA -1.102 53.873 54.840 0.225 0.000 0.814 316 L CB 1.617 43.822 42.059 0.242 0.000 1.217 316 L HN 0.148 nan 8.230 nan 0.000 0.420 317 V N 5.208 125.025 119.914 -0.162 0.000 2.531 317 V HA 0.412 4.532 4.120 -0.000 0.000 0.301 317 V C -0.162 175.811 176.094 -0.202 0.000 1.034 317 V CA -0.439 61.718 62.300 -0.240 0.000 0.865 317 V CB 2.288 33.694 31.823 -0.695 0.000 0.995 317 V HN 0.525 nan 8.190 nan 0.000 0.424 318 L N 5.551 126.800 121.223 0.043 0.000 2.276 318 L HA 0.513 4.853 4.340 -0.000 0.000 0.286 318 L C 0.326 177.182 176.870 -0.023 0.000 1.024 318 L CA -0.333 54.537 54.840 0.050 0.000 0.826 318 L CB 1.214 43.396 42.059 0.205 0.000 1.211 318 L HN 0.860 nan 8.230 nan 0.000 0.422 319 N N 2.735 121.318 118.700 -0.195 0.000 2.241 319 N HA 0.113 4.853 4.740 -0.000 0.000 0.238 319 N C -0.104 175.227 175.510 -0.298 0.000 1.244 319 N CA -0.473 52.210 53.050 -0.612 0.000 0.880 319 N CB 0.675 38.543 38.487 -1.031 0.000 1.179 319 N HN 0.498 nan 8.380 nan 0.000 0.513 320 R N 0.243 120.722 120.500 -0.036 0.000 2.522 320 R HA 0.353 4.693 4.340 -0.000 0.000 0.283 320 R C -1.428 174.973 176.300 0.168 0.000 1.074 320 R CA -0.519 55.614 56.100 0.056 0.000 0.925 320 R CB 0.959 31.309 30.300 0.083 0.000 1.205 320 R HN -0.029 nan 8.270 nan 0.000 0.436 321 N N 3.260 122.012 118.700 0.087 0.000 2.493 321 N HA 0.369 5.109 4.740 -0.000 0.000 0.275 321 N C -2.453 173.238 175.510 0.303 0.000 1.186 321 N CA -1.595 51.530 53.050 0.125 0.000 0.978 321 N CB 1.016 39.365 38.487 -0.230 0.000 1.184 321 N HN 0.390 nan 8.380 nan 0.000 0.487 322 P HA 0.100 nan 4.420 nan 0.000 0.272 322 P C 0.567 178.059 177.300 0.320 0.000 1.223 322 P CA -0.297 63.057 63.100 0.424 0.000 0.784 322 P CB 0.924 32.892 31.700 0.447 0.000 0.923 323 V N 0.584 120.618 119.914 0.201 0.000 2.575 323 V HA 0.055 4.175 4.120 -0.000 0.000 0.242 323 V C 0.863 177.078 176.094 0.203 0.000 1.045 323 V CA 1.196 63.612 62.300 0.192 0.000 1.065 323 V CB -0.452 31.439 31.823 0.113 0.000 0.717 323 V HN 0.633 nan 8.190 nan 0.000 0.467 324 N N -1.046 117.764 118.700 0.183 0.000 2.491 324 N HA 0.133 4.873 4.740 -0.000 0.000 0.274 324 N C 0.259 175.926 175.510 0.261 0.000 1.023 324 N CA -0.372 52.801 53.050 0.205 0.000 0.902 324 N CB 1.850 40.435 38.487 0.163 0.000 1.267 324 N HN 0.265 nan 8.380 nan 0.000 0.503 325 Y N 4.498 124.905 120.300 0.177 0.000 2.128 325 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 325 Y C 1.746 177.748 175.900 0.170 0.000 1.154 325 Y CA 1.822 60.029 58.100 0.179 0.000 1.149 325 Y CB -0.133 38.420 38.460 0.156 0.000 0.976 325 Y HN 0.655 nan 8.280 nan 0.000 0.505 326 F N 0.365 120.490 119.950 0.292 0.000 2.095 326 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 326 F C 2.346 178.180 175.800 0.056 0.000 1.104 326 F CA 1.914 60.018 58.000 0.173 0.000 1.232 326 F CB -0.787 38.302 39.000 0.149 0.000 0.987 326 F HN 0.095 nan 8.300 nan 0.000 0.475 327 A N -0.238 122.700 122.820 0.196 0.000 1.898 327 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 327 A C 2.029 179.589 177.584 -0.039 0.000 1.181 327 A CA 1.923 54.004 52.037 0.073 0.000 0.620 327 A CB -0.698 18.387 19.000 0.140 0.000 0.819 327 A HN 0.588 nan 8.150 nan 0.000 0.442 328 E N -1.235 118.964 120.200 -0.002 0.000 2.364 328 E HA 0.095 4.445 4.350 -0.000 0.000 0.196 328 E C 1.452 178.061 176.600 0.014 0.000 0.990 328 E CA 0.706 57.143 56.400 0.062 0.000 0.886 328 E CB 0.378 30.182 29.700 0.173 0.000 0.866 328 E HN 0.424 nan 8.360 nan 0.000 0.493 329 V N 0.079 119.851 119.914 -0.236 0.000 2.950 329 V HA -0.042 4.078 4.120 -0.000 0.000 0.231 329 V C 1.980 177.814 176.094 -0.434 0.000 1.205 329 V CA 0.642 62.683 62.300 -0.433 0.000 1.239 329 V CB 0.032 31.313 31.823 -0.904 0.000 1.050 329 V HN 0.001 nan 8.190 nan 0.000 0.498 330 E N 1.078 120.978 120.200 -0.501 0.000 2.118 330 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 330 E C 2.089 178.462 176.600 -0.379 0.000 0.992 330 E CA 1.696 57.896 56.400 -0.332 0.000 0.804 330 E CB -0.163 29.367 29.700 -0.283 0.000 0.741 330 E HN 0.631 nan 8.360 nan 0.000 0.458 331 Q N -0.393 119.123 119.800 -0.474 0.000 2.425 331 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 331 Q C 0.403 176.245 176.000 -0.264 0.000 0.933 331 Q CA -0.250 55.331 55.803 -0.369 0.000 0.939 331 Q CB 0.288 28.807 28.738 -0.365 0.000 1.044 331 Q HN 0.357 nan 8.270 nan 0.000 0.513 332 I N 1.159 121.568 120.570 -0.268 0.000 2.692 332 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 332 I C -0.657 175.192 176.117 -0.448 0.000 1.159 332 I CA -0.134 60.956 61.300 -0.350 0.000 1.423 332 I CB 0.591 38.359 38.000 -0.388 0.000 1.380 332 I HN -0.039 nan 8.210 nan 0.000 0.580 333 A N 7.693 130.148 122.820 -0.608 0.000 2.353 333 A HA 0.666 4.986 4.320 -0.000 0.000 0.299 333 A C -1.325 175.892 177.584 -0.610 0.000 1.089 333 A CA -0.410 51.192 52.037 -0.725 0.000 0.736 333 A CB 0.571 18.927 19.000 -1.073 0.000 1.195 333 A HN 0.577 nan 8.150 nan 0.000 0.447 334 F N 1.610 121.530 119.950 -0.050 0.000 2.458 334 F HA 0.456 4.983 4.527 -0.000 0.000 0.336 334 F C -0.210 175.675 175.800 0.142 0.000 1.114 334 F CA -0.378 57.613 58.000 -0.015 0.000 0.987 334 F CB 2.115 41.057 39.000 -0.097 0.000 1.130 334 F HN 0.428 nan 8.300 nan 0.000 0.458 335 D N 5.059 125.575 120.400 0.193 0.000 2.481 335 D HA 0.234 4.874 4.640 -0.000 0.000 0.246 335 D C -2.031 174.232 176.300 -0.061 0.000 1.109 335 D CA -1.548 52.512 54.000 0.100 0.000 0.845 335 D CB 2.096 43.015 40.800 0.197 0.000 1.160 335 D HN 0.165 nan 8.370 nan 0.000 0.534 336 P HA -0.156 nan 4.420 nan 0.000 0.219 336 P C 1.357 178.669 177.300 0.020 0.000 1.146 336 P CA 1.078 64.091 63.100 -0.145 0.000 0.808 336 P CB 0.279 31.817 31.700 -0.270 0.000 0.779 337 S N -2.526 113.185 115.700 0.018 0.000 2.515 337 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 337 S C 1.004 175.652 174.600 0.080 0.000 0.987 337 S CA 0.326 58.566 58.200 0.066 0.000 0.936 337 S CB -1.000 62.242 63.200 0.071 0.000 0.766 337 S HN 0.053 nan 8.310 nan 0.000 0.528 338 N N 2.377 121.126 118.700 0.081 0.000 2.605 338 N HA 0.364 5.104 4.740 -0.000 0.000 0.258 338 N C -1.000 174.595 175.510 0.142 0.000 1.156 338 N CA 0.505 53.606 53.050 0.085 0.000 1.008 338 N CB 0.046 38.571 38.487 0.063 0.000 1.354 338 N HN 0.538 nan 8.380 nan 0.000 0.509 339 M N 2.578 122.230 119.600 0.087 0.000 2.259 339 M HA 0.399 4.879 4.480 -0.000 0.000 0.304 339 M C -2.283 173.972 176.300 -0.075 0.000 1.019 339 M CA -1.654 53.654 55.300 0.014 0.000 0.922 339 M CB 2.912 35.526 32.600 0.023 0.000 1.600 339 M HN 0.107 nan 8.290 nan 0.000 0.433 340 P HA 0.448 nan 4.420 nan 0.000 0.278 340 P C -2.856 174.344 177.300 -0.166 0.000 1.266 340 P CA -1.603 61.397 63.100 -0.167 0.000 0.807 340 P CB -0.402 31.164 31.700 -0.223 0.000 1.094 341 P HA 0.094 nan 4.420 nan 0.000 0.264 341 P C 0.939 178.178 177.300 -0.101 0.000 1.183 341 P CA 1.497 64.553 63.100 -0.074 0.000 0.763 341 P CB -0.216 31.455 31.700 -0.049 0.000 0.807 342 G N 2.323 111.086 108.800 -0.061 0.000 2.238 342 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.217 342 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.217 342 G C -0.037 174.833 174.900 -0.049 0.000 0.996 342 G CA -0.369 44.704 45.100 -0.045 0.000 0.632 342 G HN 0.487 nan 8.290 nan 0.000 0.503 343 I N 1.180 121.682 120.570 -0.113 0.000 2.499 343 I HA 0.588 4.758 4.170 -0.000 0.000 0.288 343 I C -0.398 175.720 176.117 0.001 0.000 1.048 343 I CA -0.669 60.571 61.300 -0.099 0.000 1.062 343 I CB 2.017 39.763 38.000 -0.425 0.000 1.238 343 I HN 0.132 nan 8.210 nan 0.000 0.426 344 E N 3.421 123.701 120.200 0.134 0.000 2.433 344 E HA 0.750 5.100 4.350 -0.000 0.000 0.273 344 E C -0.918 175.861 176.600 0.299 0.000 0.950 344 E CA -1.077 55.431 56.400 0.179 0.000 0.796 344 E CB 2.255 32.048 29.700 0.154 0.000 1.330 344 E HN 0.608 nan 8.360 nan 0.000 0.455 345 A N 0.822 123.776 122.820 0.223 0.000 2.313 345 A HA 0.540 4.860 4.320 -0.000 0.000 0.261 345 A C 0.105 177.745 177.584 0.093 0.000 1.090 345 A CA -0.158 51.970 52.037 0.153 0.000 0.807 345 A CB 0.527 19.554 19.000 0.045 0.000 1.055 345 A HN 0.534 nan 8.150 nan 0.000 0.492 346 S N -0.423 115.239 115.700 -0.062 0.000 2.766 346 S HA 0.647 5.117 4.470 -0.000 0.000 0.307 346 S C -2.529 171.858 174.600 -0.355 0.000 1.121 346 S CA -1.236 56.866 58.200 -0.165 0.000 0.980 346 S CB 1.190 64.265 63.200 -0.208 0.000 1.159 346 S HN 0.314 nan 8.310 nan 0.000 0.546 347 P HA 0.138 nan 4.420 nan 0.000 0.247 347 P C -0.435 176.652 177.300 -0.356 0.000 1.225 347 P CA 0.220 63.006 63.100 -0.523 0.000 0.768 347 P CB -0.280 31.018 31.700 -0.669 0.000 1.020 348 D N 0.832 121.054 120.400 -0.297 0.000 2.479 348 D HA -0.088 4.552 4.640 -0.000 0.000 0.257 348 D C 1.049 177.281 176.300 -0.115 0.000 1.230 348 D CA 0.522 54.464 54.000 -0.097 0.000 0.912 348 D CB 0.656 41.404 40.800 -0.087 0.000 1.130 348 D HN 0.073 nan 8.370 nan 0.000 0.515 349 K N 3.580 123.955 120.400 -0.040 0.000 2.074 349 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 349 K C 2.024 178.607 176.600 -0.028 0.000 1.048 349 K CA 1.071 57.342 56.287 -0.027 0.000 0.926 349 K CB -0.033 32.482 32.500 0.025 0.000 0.713 349 K HN 0.526 nan 8.250 nan 0.000 0.444 350 M N 0.449 120.051 119.600 0.004 0.000 2.086 350 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 350 M C 2.375 178.610 176.300 -0.107 0.000 1.067 350 M CA 1.231 56.545 55.300 0.024 0.000 1.116 350 M CB -0.896 31.793 32.600 0.149 0.000 1.348 350 M HN 0.169 nan 8.290 nan 0.000 0.407 351 L N 1.046 122.043 121.223 -0.376 0.000 2.046 351 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 351 L C 2.472 179.169 176.870 -0.289 0.000 1.077 351 L CA 1.860 56.283 54.840 -0.695 0.000 0.747 351 L CB -0.910 40.541 42.059 -1.014 0.000 0.896 351 L HN 0.310 nan 8.230 nan 0.000 0.432 352 Q N -0.201 119.481 119.800 -0.198 0.000 2.112 352 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 352 Q C 2.113 178.096 176.000 -0.028 0.000 0.987 352 Q CA 1.760 57.503 55.803 -0.100 0.000 0.858 352 Q CB -0.854 27.828 28.738 -0.093 0.000 0.905 352 Q HN 0.698 nan 8.270 nan 0.000 0.420 353 G N 0.854 109.642 108.800 -0.019 0.000 2.408 353 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 353 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 353 G C 1.504 176.460 174.900 0.092 0.000 1.150 353 G CA 0.347 45.475 45.100 0.047 0.000 0.776 353 G HN 0.275 nan 8.290 nan 0.000 0.542 354 R N -0.102 120.417 120.500 0.032 0.000 2.148 354 R HA 0.121 4.461 4.340 -0.000 0.000 0.227 354 R C 2.454 178.827 176.300 0.122 0.000 1.103 354 R CA 0.423 56.597 56.100 0.124 0.000 0.983 354 R CB -0.376 29.954 30.300 0.050 0.000 0.874 354 R HN 0.334 nan 8.270 nan 0.000 0.451 355 L N -0.324 120.936 121.223 0.061 0.000 2.127 355 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 355 L C 2.186 179.141 176.870 0.143 0.000 1.089 355 L CA 1.187 56.073 54.840 0.076 0.000 0.757 355 L CB -0.348 41.747 42.059 0.060 0.000 0.899 355 L HN 0.175 nan 8.230 nan 0.000 0.434 356 F N 0.476 120.451 119.950 0.040 0.000 2.188 356 F HA 0.092 4.619 4.527 -0.000 0.000 0.289 356 F C 2.464 178.289 175.800 0.042 0.000 1.082 356 F CA 0.795 58.818 58.000 0.038 0.000 1.282 356 F CB -0.416 38.591 39.000 0.013 0.000 1.060 356 F HN -0.082 nan 8.300 nan 0.000 0.493 357 A N 0.095 122.785 122.820 -0.216 0.000 1.917 357 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 357 A C 2.118 179.446 177.584 -0.427 0.000 1.182 357 A CA 2.144 53.944 52.037 -0.394 0.000 0.633 357 A CB -1.705 17.188 19.000 -0.179 0.000 0.819 357 A HN 0.628 nan 8.150 nan 0.000 0.448 358 Y N -0.275 119.811 120.300 -0.356 0.000 2.133 358 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 358 Y C -0.072 175.516 175.900 -0.520 0.000 1.134 358 Y CA 1.602 59.433 58.100 -0.448 0.000 1.133 358 Y CB -1.370 36.961 38.460 -0.214 0.000 0.987 358 Y HN 0.282 nan 8.280 nan 0.000 0.502 359 P HA -0.147 nan 4.420 nan 0.000 0.218 359 P C 0.770 177.984 177.300 -0.143 0.000 1.149 359 P CA 2.042 65.173 63.100 0.053 0.000 0.817 359 P CB 0.014 31.792 31.700 0.129 0.000 0.785 360 D N -1.582 118.607 120.400 -0.353 0.000 2.084 360 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 360 D C 2.034 178.159 176.300 -0.292 0.000 0.990 360 D CA 1.555 55.313 54.000 -0.404 0.000 0.826 360 D CB -0.797 39.464 40.800 -0.898 0.000 0.971 360 D HN -0.051 nan 8.370 nan 0.000 0.453 361 T N -1.845 112.475 114.554 -0.391 0.000 2.867 361 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 361 T C 1.517 176.076 174.700 -0.236 0.000 1.057 361 T CA 1.402 63.327 62.100 -0.291 0.000 1.136 361 T CB -0.394 68.251 68.868 -0.372 0.000 0.874 361 T HN 0.338 nan 8.240 nan 0.000 0.466 362 H N -0.009 118.858 119.070 -0.338 0.000 2.389 362 H HA 0.104 4.660 4.556 -0.000 0.000 0.299 362 H C 2.622 177.652 175.328 -0.496 0.000 1.081 362 H CA 0.953 56.629 56.048 -0.620 0.000 1.345 362 H CB 0.135 29.107 29.762 -1.317 0.000 1.393 362 H HN 0.229 nan 8.280 nan 0.000 0.520 363 R N -0.513 119.897 120.500 -0.150 0.000 2.152 363 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 363 R C 1.932 178.258 176.300 0.043 0.000 1.117 363 R CA 1.438 57.561 56.100 0.038 0.000 0.981 363 R CB -0.090 30.263 30.300 0.088 0.000 0.870 363 R HN 0.484 nan 8.270 nan 0.000 0.451 364 H N 0.327 119.354 119.070 -0.072 0.000 2.320 364 H HA 0.077 4.633 4.556 -0.000 0.000 0.309 364 H C 2.152 177.455 175.328 -0.040 0.000 1.057 364 H CA 1.271 57.290 56.048 -0.048 0.000 1.374 364 H CB 0.104 29.829 29.762 -0.062 0.000 1.421 364 H HN -0.084 nan 8.280 nan 0.000 0.532 365 R N -0.247 120.120 120.500 -0.221 0.000 2.081 365 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 365 R C 1.613 177.813 176.300 -0.167 0.000 1.131 365 R CA 1.995 57.954 56.100 -0.236 0.000 0.960 365 R CB -0.028 30.238 30.300 -0.056 0.000 0.856 365 R HN 0.436 nan 8.270 nan 0.000 0.436 366 L N -1.964 119.190 121.223 -0.115 0.000 2.435 366 L HA 0.394 4.734 4.340 -0.000 0.000 0.195 366 L C 0.805 177.671 176.870 -0.008 0.000 1.072 366 L CA 0.291 55.097 54.840 -0.056 0.000 0.833 366 L CB 0.592 42.623 42.059 -0.046 0.000 1.081 366 L HN 0.429 nan 8.230 nan 0.000 0.485 367 G N -1.566 107.248 108.800 0.025 0.000 2.345 367 G HA2 0.036 3.996 3.960 -0.000 0.000 0.310 367 G HA3 0.036 3.996 3.960 -0.000 0.000 0.310 367 G C -2.713 172.264 174.900 0.128 0.000 1.476 367 G CA -0.769 44.361 45.100 0.050 0.000 0.978 367 G HN -0.269 nan 8.290 nan 0.000 0.656 368 P HA -0.081 nan 4.420 nan 0.000 0.216 368 P C 1.015 178.311 177.300 -0.006 0.000 1.150 368 P CA 1.177 64.318 63.100 0.068 0.000 0.843 368 P CB 0.178 31.889 31.700 0.018 0.000 0.787 369 N N -1.156 117.472 118.700 -0.119 0.000 2.451 369 N HA 0.040 4.780 4.740 -0.000 0.000 0.264 369 N C 0.902 176.234 175.510 -0.297 0.000 1.167 369 N CA -0.168 52.629 53.050 -0.421 0.000 0.898 369 N CB -0.387 37.687 38.487 -0.688 0.000 1.176 369 N HN 0.362 nan 8.380 nan 0.000 0.507 370 Y N -0.838 119.376 120.300 -0.142 0.000 2.384 370 Y HA -0.023 4.527 4.550 -0.000 0.000 0.289 370 Y C 1.558 177.416 175.900 -0.070 0.000 1.152 370 Y CA 0.792 58.835 58.100 -0.095 0.000 1.258 370 Y CB -0.480 37.927 38.460 -0.088 0.000 0.979 370 Y HN 0.012 nan 8.280 nan 0.000 0.549 371 L N 0.209 121.028 121.223 -0.673 0.000 2.551 371 L HA -0.115 4.225 4.340 -0.000 0.000 0.228 371 L C 1.923 178.784 176.870 -0.014 0.000 1.153 371 L CA 0.905 55.507 54.840 -0.396 0.000 0.851 371 L CB -0.642 41.159 42.059 -0.430 0.000 0.959 371 L HN 0.496 nan 8.230 nan 0.000 0.451 372 H N -0.530 118.458 119.070 -0.137 0.000 2.512 372 H HA 0.140 4.695 4.556 -0.000 0.000 0.279 372 H C 0.872 176.176 175.328 -0.039 0.000 0.999 372 H CA -0.495 55.512 56.048 -0.069 0.000 1.283 372 H CB 0.475 30.208 29.762 -0.048 0.000 1.421 372 H HN 0.206 nan 8.280 nan 0.000 0.554 373 I N 2.859 123.484 120.570 0.091 0.000 2.668 373 I HA -0.089 4.081 4.170 -0.000 0.000 0.285 373 I C -1.377 174.756 176.117 0.027 0.000 1.168 373 I CA -1.350 59.979 61.300 0.048 0.000 1.424 373 I CB 0.816 38.832 38.000 0.026 0.000 1.377 373 I HN -0.039 nan 8.210 nan 0.000 0.560 374 P HA -0.272 nan 4.420 nan 0.000 0.219 374 P C 1.704 179.005 177.300 0.001 0.000 1.161 374 P CA 1.231 64.316 63.100 -0.025 0.000 0.909 374 P CB 0.157 31.819 31.700 -0.063 0.000 0.793 375 V N -0.763 119.155 119.914 0.007 0.000 2.720 375 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 375 V C 1.452 177.638 176.094 0.154 0.000 1.082 375 V CA 1.981 64.330 62.300 0.081 0.000 1.101 375 V CB -0.956 30.900 31.823 0.055 0.000 0.693 375 V HN 0.124 nan 8.190 nan 0.000 0.479 376 N N -1.119 117.619 118.700 0.064 0.000 2.325 376 N HA 0.065 4.805 4.740 -0.000 0.000 0.182 376 N C 0.631 176.186 175.510 0.075 0.000 1.088 376 N CA 0.545 53.606 53.050 0.018 0.000 0.879 376 N CB -0.293 38.170 38.487 -0.040 0.000 0.983 376 N HN 0.504 nan 8.380 nan 0.000 0.471 377 C N 4.193 123.572 119.300 0.130 0.000 2.653 377 C HA 0.180 4.640 4.460 -0.000 0.000 0.421 377 C C -1.825 173.303 174.990 0.230 0.000 1.334 377 C CA -1.200 57.894 59.018 0.128 0.000 1.885 377 C CB 0.183 27.980 27.740 0.094 0.000 2.645 377 C HN 0.241 nan 8.230 nan 0.000 0.601 378 P HA 0.114 nan 4.420 nan 0.000 0.231 378 P C -0.054 177.271 177.300 0.041 0.000 1.811 378 P CA 0.038 63.190 63.100 0.086 0.000 1.051 378 P CB -0.656 31.051 31.700 0.013 0.000 1.951 379 Y N 0.820 121.149 120.300 0.049 0.000 2.569 379 Y HA 0.005 4.555 4.550 -0.000 0.000 0.293 379 Y C 1.397 177.276 175.900 -0.034 0.000 1.144 379 Y CA 0.435 58.510 58.100 -0.042 0.000 1.321 379 Y CB -0.614 37.768 38.460 -0.129 0.000 0.982 379 Y HN -0.015 nan 8.280 nan 0.000 0.558 380 R N 0.843 121.171 120.500 -0.287 0.000 2.427 380 R HA 0.559 4.899 4.340 -0.000 0.000 0.262 380 R C -0.248 176.004 176.300 -0.080 0.000 0.943 380 R CA 0.356 56.354 56.100 -0.170 0.000 1.081 380 R CB 0.562 30.710 30.300 -0.253 0.000 1.166 380 R HN 0.320 nan 8.270 nan 0.000 0.534 381 A N 1.128 123.914 122.820 -0.056 0.000 2.475 381 A HA 0.554 4.874 4.320 -0.000 0.000 0.301 381 A C -1.102 176.464 177.584 -0.030 0.000 1.059 381 A CA -0.863 51.150 52.037 -0.040 0.000 0.710 381 A CB 1.402 20.376 19.000 -0.043 0.000 1.288 381 A HN 0.151 nan 8.150 nan 0.000 0.408 382 R N 1.663 122.143 120.500 -0.034 0.000 2.210 382 R HA 0.465 4.805 4.340 -0.000 0.000 0.338 382 R C -1.263 175.006 176.300 -0.052 0.000 1.062 382 R CA -0.062 56.014 56.100 -0.040 0.000 0.902 382 R CB -0.017 30.259 30.300 -0.041 0.000 1.050 382 R HN 0.402 nan 8.270 nan 0.000 0.461 383 V N 4.430 124.310 119.914 -0.056 0.000 2.427 383 V HA 0.532 4.652 4.120 -0.000 0.000 0.268 383 V C 0.060 176.100 176.094 -0.091 0.000 1.046 383 V CA 0.179 62.439 62.300 -0.066 0.000 0.970 383 V CB 0.635 32.422 31.823 -0.059 0.000 1.001 383 V HN 0.889 nan 8.190 nan 0.000 0.476 384 A N 5.466 128.219 122.820 -0.111 0.000 2.414 384 A HA 0.856 5.176 4.320 -0.000 0.000 0.286 384 A C -0.424 177.024 177.584 -0.227 0.000 1.073 384 A CA -0.652 51.286 52.037 -0.165 0.000 0.727 384 A CB 1.236 20.148 19.000 -0.146 0.000 1.215 384 A HN 0.938 nan 8.150 nan 0.000 0.430 385 N N -0.109 118.398 118.700 -0.321 0.000 3.575 385 N HA 0.339 5.079 4.740 -0.000 0.000 0.343 385 N C -0.826 174.278 175.510 -0.677 0.000 1.574 385 N CA -0.584 52.222 53.050 -0.407 0.000 0.832 385 N CB 0.240 38.641 38.487 -0.144 0.000 2.151 385 N HN 0.219 nan 8.380 nan 0.000 0.552 386 Y N -0.537 119.733 120.300 -0.050 0.000 2.681 386 Y HA 0.414 4.965 4.550 0.001 0.000 0.267 386 Y C -0.078 175.835 175.900 0.022 0.000 1.166 386 Y CA -0.439 57.658 58.100 -0.005 0.000 1.209 386 Y CB 0.343 38.814 38.460 0.019 0.000 1.161 386 Y HN 0.200 nan 8.280 nan 0.000 0.534 387 Q N 1.373 121.206 119.800 0.054 0.000 2.243 387 Q HA 0.539 4.879 4.340 -0.000 0.000 0.252 387 Q C -0.195 175.832 176.000 0.044 0.000 0.909 387 Q CA -0.505 55.333 55.803 0.059 0.000 0.922 387 Q CB 1.380 30.141 28.738 0.038 0.000 1.215 387 Q HN 0.132 nan 8.270 nan 0.000 0.427 388 R N 1.700 122.234 120.500 0.057 0.000 2.739 388 R HA 0.330 4.670 4.340 -0.000 0.000 0.271 388 R C -0.735 175.595 176.300 0.051 0.000 1.010 388 R CA -0.611 55.521 56.100 0.053 0.000 0.897 388 R CB 1.247 31.581 30.300 0.057 0.000 1.236 388 R HN 0.722 nan 8.270 nan 0.000 0.466 389 D N -0.023 120.409 120.400 0.052 0.000 3.396 389 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 389 D C 0.380 176.699 176.300 0.031 0.000 1.347 389 D CA 2.029 56.056 54.000 0.045 0.000 1.106 389 D CB -1.118 39.705 40.800 0.038 0.000 0.619 389 D HN 0.932 nan 8.370 nan 0.000 0.728 390 G N -0.845 107.968 108.800 0.021 0.000 2.705 390 G HA2 0.149 4.109 3.960 -0.000 0.000 0.686 390 G HA3 0.149 4.109 3.960 -0.000 0.000 0.686 390 G C -2.725 172.177 174.900 0.004 0.000 1.285 390 G CA -0.315 44.788 45.100 0.006 0.000 0.800 390 G HN 0.572 nan 8.290 nan 0.000 0.611 391 P HA 0.255 nan 4.420 nan 0.000 0.266 391 P C 0.787 178.088 177.300 0.003 0.000 1.195 391 P CA 0.373 63.477 63.100 0.008 0.000 0.768 391 P CB 0.466 32.171 31.700 0.009 0.000 0.838 392 M N -1.072 118.541 119.600 0.021 0.000 2.297 392 M HA -0.156 4.324 4.480 -0.000 0.000 0.200 392 M C 0.053 176.392 176.300 0.065 0.000 0.414 392 M CA 0.162 55.484 55.300 0.037 0.000 0.449 392 M CB -2.792 29.827 32.600 0.032 0.000 1.436 392 M HN 0.497 nan 8.290 nan 0.000 0.912 393 C N 1.465 120.812 119.300 0.078 0.000 2.573 393 C HA 0.273 4.733 4.460 -0.000 0.000 0.369 393 C C 1.728 176.814 174.990 0.161 0.000 1.205 393 C CA -0.218 58.896 59.018 0.160 0.000 1.535 393 C CB -0.632 27.176 27.740 0.114 0.000 2.159 393 C HN 0.579 nan 8.230 nan 0.000 0.558 394 M N 3.448 123.197 119.600 0.248 0.000 2.561 394 M HA 0.183 4.663 4.480 -0.000 0.000 0.238 394 M C 0.980 177.269 176.300 -0.019 0.000 1.131 394 M CA 0.934 56.294 55.300 0.101 0.000 1.046 394 M CB -0.346 32.319 32.600 0.108 0.000 1.532 394 M HN 0.746 nan 8.290 nan 0.000 0.497 395 Q N -1.078 118.664 119.800 -0.096 0.000 2.852 395 Q HA 0.211 4.551 4.340 -0.000 0.000 0.262 395 Q C 0.520 176.470 176.000 -0.082 0.000 1.051 395 Q CA -0.490 55.219 55.803 -0.157 0.000 0.894 395 Q CB 0.562 29.099 28.738 -0.335 0.000 1.381 395 Q HN 0.183 nan 8.270 nan 0.000 0.501 396 D N -0.582 119.769 120.400 -0.082 0.000 2.378 396 D HA -0.104 4.536 4.640 -0.000 0.000 0.227 396 D C -0.042 176.236 176.300 -0.037 0.000 1.012 396 D CA 0.287 54.257 54.000 -0.049 0.000 0.905 396 D CB -0.199 40.572 40.800 -0.049 0.000 0.895 396 D HN 0.552 nan 8.370 nan 0.000 0.532 397 N N 0.666 119.341 118.700 -0.043 0.000 2.725 397 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 397 N C -0.572 174.922 175.510 -0.027 0.000 1.103 397 N CA 1.102 54.145 53.050 -0.012 0.000 0.707 397 N CB -1.460 37.037 38.487 0.017 0.000 1.043 397 N HN 0.506 nan 8.380 nan 0.000 0.553 398 Q N -3.315 116.453 119.800 -0.053 0.000 2.481 398 Q HA -0.236 4.104 4.340 -0.000 0.000 0.258 398 Q C 1.135 177.106 176.000 -0.048 0.000 0.961 398 Q CA 1.292 57.056 55.803 -0.064 0.000 1.121 398 Q CB -1.795 26.890 28.738 -0.088 0.000 1.503 398 Q HN 0.975 nan 8.270 nan 0.000 0.544 399 G N -0.541 108.238 108.800 -0.034 0.000 2.634 399 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.309 399 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.309 399 G C 0.528 175.419 174.900 -0.015 0.000 1.265 399 G CA 0.379 45.465 45.100 -0.023 0.000 0.998 399 G HN 0.908 nan 8.290 nan 0.000 0.551 400 G N 0.549 109.341 108.800 -0.013 0.000 3.371 400 G HA2 0.641 4.601 3.960 -0.000 0.000 0.248 400 G HA3 0.641 4.601 3.960 -0.000 0.000 0.248 400 G C 0.685 175.580 174.900 -0.008 0.000 1.161 400 G CA 1.191 46.286 45.100 -0.008 0.000 0.796 400 G HN 1.761 nan 8.290 nan 0.000 0.539 401 A N 1.088 123.898 122.820 -0.017 0.000 2.498 401 A HA 0.499 4.819 4.320 -0.000 0.000 0.239 401 A C -1.944 175.641 177.584 0.002 0.000 1.068 401 A CA -0.754 51.271 52.037 -0.020 0.000 0.766 401 A CB 0.057 19.020 19.000 -0.063 0.000 1.003 401 A HN 0.184 nan 8.150 nan 0.000 0.497 402 P HA -0.012 nan 4.420 nan 0.000 0.261 402 P C 0.103 177.474 177.300 0.119 0.000 1.183 402 P CA 0.465 63.584 63.100 0.032 0.000 0.761 402 P CB 0.373 32.059 31.700 -0.022 0.000 0.785 403 N N 2.293 121.124 118.700 0.219 0.000 2.268 403 N HA 0.000 4.740 4.740 -0.000 0.000 0.204 403 N C -0.566 175.242 175.510 0.497 0.000 1.124 403 N CA -0.291 52.964 53.050 0.342 0.000 0.838 403 N CB -0.551 38.073 38.487 0.227 0.000 0.994 403 N HN 0.443 nan 8.380 nan 0.000 0.489 404 Y N -2.987 117.489 120.300 0.293 0.000 2.512 404 Y HA 0.694 5.244 4.550 0.000 0.000 0.348 404 Y C -1.613 174.111 175.900 -0.293 0.000 0.990 404 Y CA -1.918 56.191 58.100 0.016 0.000 1.033 404 Y CB 0.958 39.435 38.460 0.028 0.000 1.259 404 Y HN -0.096 nan 8.280 nan 0.000 0.461 405 Y N 4.732 124.660 120.300 -0.619 0.000 2.391 405 Y HA 0.659 5.210 4.550 0.001 0.000 0.341 405 Y C -2.486 173.285 175.900 -0.215 0.000 0.965 405 Y CA -2.919 54.770 58.100 -0.684 0.000 1.067 405 Y CB 1.685 39.503 38.460 -1.069 0.000 1.199 405 Y HN 0.758 nan 8.280 nan 0.000 0.450 406 P HA 0.375 nan 4.420 nan 0.000 0.276 406 P C -1.776 175.407 177.300 -0.195 0.000 1.252 406 P CA -0.442 62.266 63.100 -0.653 0.000 0.802 406 P CB 1.683 33.058 31.700 -0.542 0.000 1.035 407 N N -2.415 116.198 118.700 -0.145 0.000 2.494 407 N HA 0.286 5.026 4.740 -0.000 0.000 0.270 407 N C -0.693 174.834 175.510 0.028 0.000 1.285 407 N CA -0.897 52.138 53.050 -0.024 0.000 0.812 407 N CB 0.932 39.206 38.487 -0.355 0.000 1.557 407 N HN 0.055 nan 8.380 nan 0.000 0.487 408 S N -0.052 115.671 115.700 0.039 0.000 2.583 408 S HA 0.286 4.756 4.470 -0.000 0.000 0.239 408 S C -0.610 173.691 174.600 -0.499 0.000 0.966 408 S CA -0.404 57.654 58.200 -0.236 0.000 0.973 408 S CB -0.784 62.203 63.200 -0.355 0.000 0.794 408 S HN 0.530 nan 8.310 nan 0.000 0.463 409 F N 0.868 120.831 119.950 0.021 0.000 2.698 409 F HA 0.377 4.903 4.527 -0.000 0.000 0.304 409 F C 1.540 177.354 175.800 0.023 0.000 1.108 409 F CA -0.380 57.636 58.000 0.026 0.000 1.263 409 F CB 0.398 39.421 39.000 0.037 0.000 1.013 409 F HN 0.277 nan 8.300 nan 0.000 0.532 410 G N 0.688 109.558 108.800 0.116 0.000 2.148 410 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.254 410 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.254 410 G C 0.483 175.442 174.900 0.098 0.000 0.981 410 G CA -0.032 45.123 45.100 0.092 0.000 0.670 410 G HN 0.669 nan 8.290 nan 0.000 0.528 411 A N 0.162 123.065 122.820 0.138 0.000 2.310 411 A HA 0.738 5.058 4.320 -0.000 0.000 0.260 411 A C -1.154 176.506 177.584 0.128 0.000 1.112 411 A CA -0.644 51.462 52.037 0.115 0.000 0.804 411 A CB -0.059 19.056 19.000 0.191 0.000 1.081 411 A HN 0.228 nan 8.150 nan 0.000 0.499 412 P HA 0.045 nan 4.420 nan 0.000 0.263 412 P C -0.539 176.783 177.300 0.037 0.000 1.168 412 P CA 0.722 63.793 63.100 -0.047 0.000 0.759 412 P CB 0.308 31.862 31.700 -0.243 0.000 0.782 413 E N 1.967 122.181 120.200 0.023 0.000 2.212 413 E HA 0.133 4.483 4.350 -0.000 0.000 0.268 413 E C -0.005 176.604 176.600 0.015 0.000 0.902 413 E CA -0.708 55.744 56.400 0.087 0.000 0.779 413 E CB 1.435 31.223 29.700 0.146 0.000 1.172 413 E HN 0.477 nan 8.360 nan 0.000 0.409 414 Q N 1.023 120.861 119.800 0.063 0.000 2.432 414 Q HA 0.068 4.408 4.340 -0.000 0.000 0.264 414 Q C -0.366 175.668 176.000 0.056 0.000 1.035 414 Q CA -0.030 55.803 55.803 0.049 0.000 0.908 414 Q CB 0.590 29.404 28.738 0.127 0.000 1.280 414 Q HN 0.233 nan 8.270 nan 0.000 0.455 415 Q N 2.282 122.101 119.800 0.032 0.000 2.425 415 Q HA 0.266 4.606 4.340 -0.000 0.000 0.254 415 Q C -2.204 173.813 176.000 0.029 0.000 1.032 415 Q CA -2.033 53.786 55.803 0.026 0.000 0.798 415 Q CB 1.533 30.277 28.738 0.009 0.000 1.210 415 Q HN 0.468 nan 8.270 nan 0.000 0.491 416 P HA -0.238 nan 4.420 nan 0.000 0.217 416 P C 0.728 178.043 177.300 0.024 0.000 1.148 416 P CA 1.668 64.787 63.100 0.031 0.000 0.834 416 P CB 0.252 31.969 31.700 0.029 0.000 0.783 417 S N -1.402 114.309 115.700 0.019 0.000 2.515 417 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 417 S C 1.736 176.344 174.600 0.014 0.000 0.987 417 S CA 0.712 58.921 58.200 0.015 0.000 0.936 417 S CB -0.823 62.383 63.200 0.010 0.000 0.766 417 S HN 0.132 nan 8.310 nan 0.000 0.528 418 A N 0.418 123.247 122.820 0.015 0.000 2.345 418 A HA 0.516 4.836 4.320 -0.000 0.000 0.225 418 A C 0.518 178.116 177.584 0.023 0.000 1.243 418 A CA -0.469 51.575 52.037 0.012 0.000 0.875 418 A CB -0.295 18.708 19.000 0.005 0.000 0.929 418 A HN 0.465 nan 8.150 nan 0.000 0.502 419 L N 1.283 122.523 121.223 0.030 0.000 2.490 419 L HA 0.194 4.534 4.340 -0.000 0.000 0.274 419 L C 0.169 177.068 176.870 0.050 0.000 1.201 419 L CA 0.209 55.072 54.840 0.038 0.000 0.869 419 L CB 0.291 42.370 42.059 0.034 0.000 1.123 419 L HN 0.363 nan 8.230 nan 0.000 0.484 420 E N 2.929 123.164 120.200 0.058 0.000 2.392 420 E HA 0.077 4.427 4.350 -0.000 0.000 0.259 420 E C -0.262 176.403 176.600 0.109 0.000 1.108 420 E CA -0.070 56.382 56.400 0.087 0.000 0.916 420 E CB 0.183 29.934 29.700 0.086 0.000 0.989 420 E HN 0.478 nan 8.360 nan 0.000 0.432 421 H N 0.937 120.037 119.070 0.050 0.000 2.803 421 H HA 0.107 4.663 4.556 0.000 0.000 0.330 421 H C -0.749 174.623 175.328 0.074 0.000 1.057 421 H CA -0.072 56.006 56.048 0.051 0.000 1.458 421 H CB 0.588 30.383 29.762 0.055 0.000 1.470 421 H HN 0.277 nan 8.280 nan 0.000 0.560 422 S N 6.141 121.569 115.700 -0.453 0.000 2.499 422 S HA 0.396 4.866 4.470 -0.000 0.000 0.279 422 S C 0.181 174.558 174.600 -0.371 0.000 1.219 422 S CA -0.626 57.401 58.200 -0.288 0.000 1.062 422 S CB 0.581 63.683 63.200 -0.162 0.000 0.978 422 S HN 0.491 nan 8.310 nan 0.000 0.489 423 I N 2.308 122.820 120.570 -0.097 0.000 2.582 423 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 423 I C -0.140 175.920 176.117 -0.095 0.000 1.066 423 I CA -0.644 60.617 61.300 -0.066 0.000 1.053 423 I CB 2.129 40.143 38.000 0.024 0.000 1.241 423 I HN 0.507 nan 8.210 nan 0.000 0.421 424 Q N 4.607 124.303 119.800 -0.174 0.000 2.235 424 Q HA 0.462 4.802 4.340 -0.000 0.000 0.250 424 Q C -1.934 173.882 176.000 -0.307 0.000 0.909 424 Q CA -0.210 55.522 55.803 -0.119 0.000 0.910 424 Q CB 1.254 29.958 28.738 -0.057 0.000 1.223 424 Q HN 0.507 nan 8.270 nan 0.000 0.432 425 Y N 0.424 120.738 120.300 0.022 0.000 2.605 425 Y HA 0.567 5.116 4.550 -0.000 0.000 0.343 425 Y C -0.547 175.363 175.900 0.016 0.000 1.036 425 Y CA -0.834 57.275 58.100 0.015 0.000 1.065 425 Y CB 2.754 41.217 38.460 0.003 0.000 1.288 425 Y HN 0.578 nan 8.280 nan 0.000 0.481 426 S N 0.603 116.419 115.700 0.194 0.000 2.616 426 S HA 0.753 5.223 4.470 -0.000 0.000 0.276 426 S C -0.933 173.729 174.600 0.104 0.000 1.159 426 S CA 0.141 58.412 58.200 0.118 0.000 1.000 426 S CB 0.700 63.946 63.200 0.076 0.000 1.117 426 S HN 1.325 nan 8.310 nan 0.000 0.464 427 G N 2.928 111.792 108.800 0.105 0.000 2.338 427 G HA2 0.370 4.330 3.960 -0.000 0.000 0.295 427 G HA3 0.370 4.330 3.960 -0.000 0.000 0.295 427 G C -1.850 173.148 174.900 0.164 0.000 1.461 427 G CA -0.820 44.354 45.100 0.124 0.000 0.817 427 G HN 0.642 nan 8.290 nan 0.000 0.556 428 E N -0.703 119.644 120.200 0.244 0.000 2.392 428 E HA 0.312 4.662 4.350 -0.000 0.000 0.264 428 E C -0.160 176.579 176.600 0.232 0.000 1.024 428 E CA -0.186 56.332 56.400 0.197 0.000 0.903 428 E CB 1.900 31.694 29.700 0.156 0.000 0.963 428 E HN 0.180 nan 8.360 nan 0.000 0.432 429 V N 5.276 125.256 119.914 0.109 0.000 2.322 429 V HA 0.228 4.348 4.120 -0.000 0.000 0.258 429 V C 0.236 176.335 176.094 0.009 0.000 1.074 429 V CA 0.223 62.576 62.300 0.089 0.000 0.909 429 V CB -0.666 31.182 31.823 0.042 0.000 1.090 429 V HN 0.649 nan 8.190 nan 0.000 0.486 430 R N 3.702 124.181 120.500 -0.034 0.000 2.902 430 R HA 0.633 4.973 4.340 -0.000 0.000 0.264 430 R C -1.026 175.124 176.300 -0.250 0.000 1.059 430 R CA -1.265 54.704 56.100 -0.218 0.000 0.935 430 R CB 1.597 31.657 30.300 -0.399 0.000 1.325 430 R HN 0.261 nan 8.270 nan 0.000 0.438 431 R N 0.852 121.184 120.500 -0.281 0.000 2.230 431 R HA 0.299 4.639 4.340 -0.000 0.000 0.337 431 R C -1.092 175.068 176.300 -0.234 0.000 1.063 431 R CA -0.269 55.740 56.100 -0.150 0.000 0.935 431 R CB 0.278 30.530 30.300 -0.081 0.000 1.121 431 R HN 0.257 nan 8.270 nan 0.000 0.486 432 F N 1.719 121.675 119.950 0.010 0.000 2.424 432 F HA 0.125 4.652 4.527 -0.000 0.000 0.356 432 F C 1.075 176.888 175.800 0.021 0.000 1.110 432 F CA -0.731 57.279 58.000 0.017 0.000 1.161 432 F CB 0.544 39.557 39.000 0.022 0.000 1.115 432 F HN 0.366 nan 8.300 nan 0.000 0.507 433 N N 1.541 120.334 118.700 0.155 0.000 2.468 433 N HA 0.035 4.775 4.740 -0.000 0.000 0.265 433 N C 0.613 176.191 175.510 0.113 0.000 1.199 433 N CA 0.210 53.322 53.050 0.103 0.000 0.928 433 N CB 0.780 39.303 38.487 0.061 0.000 1.059 433 N HN 0.715 nan 8.380 nan 0.000 0.467 434 T N -0.155 114.454 114.554 0.091 0.000 3.084 434 T HA 0.332 4.682 4.350 -0.000 0.000 0.270 434 T C 1.369 176.100 174.700 0.050 0.000 1.008 434 T CA 0.103 62.250 62.100 0.078 0.000 0.900 434 T CB 0.100 69.019 68.868 0.084 0.000 1.084 434 T HN 0.345 nan 8.240 nan 0.000 0.538 435 A N 2.896 125.739 122.820 0.039 0.000 1.972 435 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 435 A C 1.965 179.552 177.584 0.005 0.000 1.169 435 A CA 1.036 53.081 52.037 0.013 0.000 0.635 435 A CB -0.456 18.546 19.000 0.004 0.000 0.810 435 A HN 0.535 nan 8.150 nan 0.000 0.446 436 N N 0.815 119.526 118.700 0.018 0.000 2.295 436 N HA 0.055 4.795 4.740 -0.000 0.000 0.221 436 N C -0.660 174.865 175.510 0.025 0.000 1.129 436 N CA -0.003 53.056 53.050 0.015 0.000 0.836 436 N CB 0.144 38.641 38.487 0.017 0.000 1.040 436 N HN 0.434 nan 8.380 nan 0.000 0.494 437 D N 0.899 121.317 120.400 0.031 0.000 2.371 437 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 437 D C 0.097 176.418 176.300 0.035 0.000 1.218 437 D CA 0.138 54.166 54.000 0.048 0.000 0.945 437 D CB 1.126 41.959 40.800 0.054 0.000 1.137 437 D HN 0.076 nan 8.370 nan 0.000 0.464 438 D N 0.584 121.028 120.400 0.074 0.000 2.531 438 D HA -0.083 4.557 4.640 -0.000 0.000 0.239 438 D C 0.200 176.472 176.300 -0.045 0.000 1.144 438 D CA 0.298 54.333 54.000 0.059 0.000 0.869 438 D CB 0.438 41.369 40.800 0.219 0.000 1.160 438 D HN 0.198 nan 8.370 nan 0.000 0.484 439 N N 2.609 121.274 118.700 -0.058 0.000 2.181 439 N HA -0.007 4.733 4.740 -0.000 0.000 0.207 439 N C 1.152 176.589 175.510 -0.123 0.000 1.182 439 N CA 0.255 53.243 53.050 -0.102 0.000 0.893 439 N CB 1.077 39.510 38.487 -0.091 0.000 1.032 439 N HN 0.432 nan 8.380 nan 0.000 0.513 440 V N -3.793 116.067 119.914 -0.091 0.000 3.473 440 V HA 0.204 4.324 4.120 -0.000 0.000 0.253 440 V C 1.861 177.921 176.094 -0.056 0.000 1.340 440 V CA 0.407 62.666 62.300 -0.068 0.000 1.103 440 V CB -0.158 31.651 31.823 -0.023 0.000 0.881 440 V HN -0.127 nan 8.190 nan 0.000 0.451 441 T N 1.086 115.620 114.554 -0.033 0.000 2.635 441 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 441 T C 1.920 176.598 174.700 -0.038 0.000 1.040 441 T CA 2.691 64.808 62.100 0.029 0.000 1.156 441 T CB -0.422 68.562 68.868 0.193 0.000 0.863 441 T HN 0.603 nan 8.240 nan 0.000 0.430 442 Q N 0.229 119.888 119.800 -0.236 0.000 2.230 442 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 442 Q C 2.565 178.349 176.000 -0.361 0.000 0.963 442 Q CA 0.823 56.441 55.803 -0.308 0.000 0.866 442 Q CB -0.249 28.189 28.738 -0.500 0.000 0.931 442 Q HN 0.421 nan 8.270 nan 0.000 0.452 443 V N 0.598 120.276 119.914 -0.395 0.000 2.453 443 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 443 V C 2.265 178.481 176.094 0.204 0.000 1.048 443 V CA 1.755 63.996 62.300 -0.099 0.000 1.049 443 V CB -0.607 31.205 31.823 -0.018 0.000 0.672 443 V HN 0.290 nan 8.190 nan 0.000 0.457 444 R N 0.677 121.264 120.500 0.146 0.000 2.081 444 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 444 R C 2.320 178.749 176.300 0.215 0.000 1.131 444 R CA 1.639 57.871 56.100 0.220 0.000 0.960 444 R CB -0.470 29.939 30.300 0.181 0.000 0.856 444 R HN 0.474 nan 8.270 nan 0.000 0.436 445 A N 0.398 123.319 122.820 0.170 0.000 1.940 445 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 445 A C 1.947 179.657 177.584 0.209 0.000 1.176 445 A CA 1.339 53.474 52.037 0.164 0.000 0.631 445 A CB -0.750 18.340 19.000 0.150 0.000 0.814 445 A HN 0.541 nan 8.150 nan 0.000 0.446 446 F N -1.055 118.979 119.950 0.140 0.000 2.084 446 F HA -0.142 4.385 4.527 0.000 0.000 0.296 446 F C 2.138 178.008 175.800 0.117 0.000 1.111 446 F CA 1.714 59.822 58.000 0.180 0.000 1.224 446 F CB -0.752 38.464 39.000 0.360 0.000 0.991 446 F HN 0.350 nan 8.300 nan 0.000 0.471 447 Y N 0.076 120.331 120.300 -0.075 0.000 2.145 447 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 447 Y C 2.198 177.922 175.900 -0.294 0.000 1.145 447 Y CA 2.316 60.234 58.100 -0.304 0.000 1.148 447 Y CB -0.428 37.886 38.460 -0.244 0.000 0.981 447 Y HN -0.048 nan 8.280 nan 0.000 0.507 448 V N 0.262 120.130 119.914 -0.077 0.000 2.331 448 V HA -0.234 3.886 4.120 -0.000 0.000 0.242 448 V C 1.397 177.404 176.094 -0.144 0.000 1.034 448 V CA 2.345 64.562 62.300 -0.139 0.000 1.027 448 V CB -0.581 31.253 31.823 0.019 0.000 0.667 448 V HN 0.423 nan 8.190 nan 0.000 0.457 449 N N -0.372 118.285 118.700 -0.071 0.000 2.402 449 N HA -0.018 4.722 4.740 -0.000 0.000 0.174 449 N C 1.589 177.049 175.510 -0.083 0.000 1.027 449 N CA 0.682 53.701 53.050 -0.052 0.000 0.891 449 N CB 0.223 38.720 38.487 0.017 0.000 1.016 449 N HN 0.236 nan 8.380 nan 0.000 0.439 450 V N 1.501 121.343 119.914 -0.120 0.000 2.379 450 V HA 0.041 4.161 4.120 -0.000 0.000 0.243 450 V C 0.937 176.868 176.094 -0.272 0.000 1.035 450 V CA 0.886 63.100 62.300 -0.143 0.000 1.035 450 V CB -0.243 31.553 31.823 -0.045 0.000 0.673 450 V HN 0.176 nan 8.190 nan 0.000 0.457 451 L N 1.558 122.499 121.223 -0.470 0.000 2.399 451 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 451 L C 0.198 176.862 176.870 -0.344 0.000 1.114 451 L CA -0.410 54.160 54.840 -0.451 0.000 0.804 451 L CB 0.764 42.441 42.059 -0.638 0.000 1.146 451 L HN 0.424 nan 8.230 nan 0.000 0.451 452 N N -0.218 118.326 118.700 -0.260 0.000 2.491 452 N HA 0.084 4.824 4.740 -0.000 0.000 0.279 452 N C 0.413 175.787 175.510 -0.227 0.000 1.236 452 N CA -0.688 52.238 53.050 -0.207 0.000 0.982 452 N CB 0.490 38.896 38.487 -0.134 0.000 1.194 452 N HN 0.472 nan 8.380 nan 0.000 0.582 453 E N -0.376 119.721 120.200 -0.172 0.000 2.110 453 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 453 E C 1.370 177.908 176.600 -0.103 0.000 0.988 453 E CA 1.377 57.689 56.400 -0.146 0.000 0.804 453 E CB -0.216 29.427 29.700 -0.096 0.000 0.745 453 E HN 0.747 nan 8.360 nan 0.000 0.458 454 E N -0.211 119.938 120.200 -0.085 0.000 2.077 454 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 454 E C 2.002 178.563 176.600 -0.065 0.000 0.989 454 E CA 1.303 57.670 56.400 -0.055 0.000 0.800 454 E CB -0.013 29.659 29.700 -0.047 0.000 0.746 454 E HN 0.389 nan 8.360 nan 0.000 0.452 455 Q N -0.238 119.499 119.800 -0.105 0.000 2.123 455 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 455 Q C 2.284 178.200 176.000 -0.140 0.000 0.966 455 Q CA 0.897 56.633 55.803 -0.111 0.000 0.845 455 Q CB 0.023 28.674 28.738 -0.144 0.000 0.907 455 Q HN 0.153 nan 8.270 nan 0.000 0.439 456 R N 0.673 121.038 120.500 -0.225 0.000 2.092 456 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 456 R C 2.208 178.438 176.300 -0.118 0.000 1.119 456 R CA 1.187 57.122 56.100 -0.276 0.000 0.970 456 R CB -0.091 29.907 30.300 -0.504 0.000 0.864 456 R HN 0.103 nan 8.270 nan 0.000 0.440 457 K N 0.895 121.259 120.400 -0.060 0.000 2.026 457 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 457 K C 2.092 178.645 176.600 -0.079 0.000 1.048 457 K CA 1.389 57.661 56.287 -0.024 0.000 0.929 457 K CB 0.057 32.606 32.500 0.082 0.000 0.713 457 K HN 0.053 nan 8.250 nan 0.000 0.439 458 R N 0.326 120.811 120.500 -0.026 0.000 2.092 458 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 458 R C 2.396 178.721 176.300 0.042 0.000 1.119 458 R CA 1.141 57.250 56.100 0.014 0.000 0.970 458 R CB -0.420 29.897 30.300 0.028 0.000 0.864 458 R HN 0.211 nan 8.270 nan 0.000 0.440 459 L N 0.711 121.957 121.223 0.038 0.000 2.012 459 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 459 L C 2.084 178.996 176.870 0.071 0.000 1.073 459 L CA 1.768 56.679 54.840 0.118 0.000 0.748 459 L CB -0.688 41.442 42.059 0.119 0.000 0.891 459 L HN 0.159 nan 8.230 nan 0.000 0.431 460 C N -0.139 119.127 119.300 -0.057 0.000 2.425 460 C HA -0.110 4.349 4.460 -0.000 0.000 0.277 460 C C 2.553 177.463 174.990 -0.134 0.000 1.280 460 C CA 0.902 59.818 59.018 -0.170 0.000 1.744 460 C CB -1.002 26.462 27.740 -0.459 0.000 1.989 460 C HN 0.609 nan 8.230 nan 0.000 0.491 461 E N 1.030 121.183 120.200 -0.078 0.000 2.072 461 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 461 E C 1.811 178.480 176.600 0.115 0.000 0.985 461 E CA 0.991 57.413 56.400 0.037 0.000 0.801 461 E CB -0.194 29.537 29.700 0.053 0.000 0.750 461 E HN 0.612 nan 8.360 nan 0.000 0.452 462 N N 0.882 119.675 118.700 0.155 0.000 2.120 462 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 462 N C 1.912 177.606 175.510 0.306 0.000 1.024 462 N CA 0.920 54.153 53.050 0.304 0.000 0.852 462 N CB -0.164 38.579 38.487 0.427 0.000 1.003 462 N HN 0.186 nan 8.380 nan 0.000 0.424 463 I N 1.048 121.623 120.570 0.009 0.000 2.163 463 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 463 I C 2.301 178.281 176.117 -0.227 0.000 1.081 463 I CA 1.061 62.130 61.300 -0.386 0.000 1.353 463 I CB -0.346 37.337 38.000 -0.528 0.000 1.054 463 I HN 0.055 nan 8.210 nan 0.000 0.407 464 A N 0.888 123.611 122.820 -0.161 0.000 1.933 464 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 464 A C 2.392 179.850 177.584 -0.211 0.000 1.175 464 A CA 1.826 53.784 52.037 -0.133 0.000 0.628 464 A CB -1.412 17.617 19.000 0.049 0.000 0.814 464 A HN 0.492 nan 8.150 nan 0.000 0.444 465 G N -2.024 106.724 108.800 -0.087 0.000 2.448 465 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 465 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 465 G C 1.559 176.374 174.900 -0.141 0.000 1.127 465 G CA 1.233 46.199 45.100 -0.223 0.000 0.766 465 G HN 0.734 nan 8.290 nan 0.000 0.552 466 H N -0.572 118.482 119.070 -0.027 0.000 2.422 466 H HA 0.136 4.692 4.556 -0.000 0.000 0.303 466 H C 2.348 177.696 175.328 0.033 0.000 1.033 466 H CA 0.516 56.644 56.048 0.134 0.000 1.335 466 H CB 0.110 30.167 29.762 0.492 0.000 1.458 466 H HN 0.193 nan 8.280 nan 0.000 0.556 467 L N 2.788 123.910 121.223 -0.168 0.000 2.187 467 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 467 L C 2.337 178.942 176.870 -0.442 0.000 1.100 467 L CA 1.932 56.373 54.840 -0.666 0.000 0.765 467 L CB -0.535 40.889 42.059 -1.059 0.000 0.904 467 L HN 0.295 nan 8.230 nan 0.000 0.437 468 K N -1.691 118.484 120.400 -0.375 0.000 2.281 468 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 468 K C 1.285 177.744 176.600 -0.235 0.000 1.046 468 K CA 1.850 57.950 56.287 -0.312 0.000 0.938 468 K CB -0.542 31.662 32.500 -0.493 0.000 0.737 468 K HN 0.325 nan 8.250 nan 0.000 0.458 469 D N 0.687 120.938 120.400 -0.249 0.000 2.349 469 D HA 0.112 4.752 4.640 -0.000 0.000 0.215 469 D C 0.222 176.438 176.300 -0.140 0.000 1.016 469 D CA 0.442 54.335 54.000 -0.178 0.000 0.870 469 D CB 0.332 41.020 40.800 -0.187 0.000 0.917 469 D HN 0.421 nan 8.370 nan 0.000 0.524 470 A N 0.666 123.391 122.820 -0.159 0.000 2.286 470 A HA 0.248 4.568 4.320 -0.000 0.000 0.286 470 A C 0.575 178.070 177.584 -0.149 0.000 1.097 470 A CA -0.438 51.526 52.037 -0.122 0.000 0.821 470 A CB 0.714 19.655 19.000 -0.098 0.000 1.076 470 A HN -0.024 nan 8.150 nan 0.000 0.490 471 Q N 0.171 119.873 119.800 -0.164 0.000 2.479 471 Q HA 0.004 4.344 4.340 -0.000 0.000 0.267 471 Q C 0.880 176.779 176.000 -0.168 0.000 1.071 471 Q CA -0.434 55.292 55.803 -0.128 0.000 0.935 471 Q CB 0.311 29.007 28.738 -0.069 0.000 1.295 471 Q HN 0.655 nan 8.270 nan 0.000 0.476 472 I N 1.496 122.048 120.570 -0.030 0.000 2.208 472 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 472 I C 2.134 178.258 176.117 0.011 0.000 1.097 472 I CA 1.586 62.883 61.300 -0.006 0.000 1.363 472 I CB -1.251 36.779 38.000 0.049 0.000 1.051 472 I HN 0.734 nan 8.210 nan 0.000 0.413 473 F N 0.995 120.945 119.950 -0.001 0.000 2.216 473 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 473 F C 2.297 178.104 175.800 0.012 0.000 1.085 473 F CA 1.213 59.216 58.000 0.005 0.000 1.326 473 F CB -1.171 37.834 39.000 0.009 0.000 1.027 473 F HN -0.073 nan 8.300 nan 0.000 0.497 474 I N 0.589 120.692 120.570 -0.778 0.000 2.286 474 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 474 I C 2.560 178.545 176.117 -0.221 0.000 1.104 474 I CA 1.179 62.157 61.300 -0.537 0.000 1.397 474 I CB -0.677 36.970 38.000 -0.588 0.000 1.072 474 I HN 0.241 nan 8.210 nan 0.000 0.417 475 Q N 0.908 120.577 119.800 -0.219 0.000 2.096 475 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 475 Q C 2.203 178.143 176.000 -0.101 0.000 0.982 475 Q CA 1.558 57.251 55.803 -0.184 0.000 0.850 475 Q CB -0.138 28.502 28.738 -0.163 0.000 0.901 475 Q HN 0.471 nan 8.270 nan 0.000 0.422 476 K N 0.803 121.173 120.400 -0.050 0.000 2.057 476 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 476 K C 2.100 178.699 176.600 -0.001 0.000 1.049 476 K CA 1.217 57.501 56.287 -0.006 0.000 0.931 476 K CB -0.094 32.427 32.500 0.034 0.000 0.714 476 K HN 0.025 nan 8.250 nan 0.000 0.440 477 K N 0.838 121.243 120.400 0.009 0.000 2.097 477 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 477 K C 2.065 178.651 176.600 -0.025 0.000 1.050 477 K CA 1.131 57.425 56.287 0.011 0.000 0.938 477 K CB -0.055 32.475 32.500 0.049 0.000 0.718 477 K HN 0.119 nan 8.250 nan 0.000 0.442 478 A N 0.579 123.385 122.820 -0.022 0.000 1.877 478 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 478 A C 2.221 179.777 177.584 -0.047 0.000 1.186 478 A CA 1.629 53.643 52.037 -0.038 0.000 0.620 478 A CB -0.675 18.324 19.000 -0.002 0.000 0.822 478 A HN 0.167 nan 8.150 nan 0.000 0.443 479 V N 0.402 120.331 119.914 0.024 0.000 2.407 479 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 479 V C 2.537 178.642 176.094 0.020 0.000 1.055 479 V CA 2.325 64.672 62.300 0.078 0.000 1.049 479 V CB -0.640 31.193 31.823 0.018 0.000 0.662 479 V HN 0.702 nan 8.190 nan 0.000 0.455 480 K N 0.229 120.615 120.400 -0.023 0.000 2.063 480 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 480 K C 1.998 178.551 176.600 -0.080 0.000 1.048 480 K CA 1.835 58.101 56.287 -0.035 0.000 0.928 480 K CB -0.151 32.333 32.500 -0.028 0.000 0.713 480 K HN 0.452 nan 8.250 nan 0.000 0.442 481 N N 0.351 118.955 118.700 -0.161 0.000 2.106 481 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 481 N C 1.688 177.011 175.510 -0.311 0.000 1.029 481 N CA 1.252 54.142 53.050 -0.268 0.000 0.848 481 N CB -0.495 37.748 38.487 -0.406 0.000 1.007 481 N HN 0.135 nan 8.380 nan 0.000 0.423 482 F N 1.530 121.329 119.950 -0.252 0.000 2.171 482 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 482 F C 2.512 178.152 175.800 -0.268 0.000 1.090 482 F CA 0.914 58.633 58.000 -0.468 0.000 1.293 482 F CB -1.079 37.487 39.000 -0.723 0.000 1.013 482 F HN 0.005 nan 8.300 nan 0.000 0.486 483 T N -0.654 113.910 114.554 0.017 0.000 2.788 483 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 483 T C 1.763 176.467 174.700 0.008 0.000 1.044 483 T CA 1.458 63.574 62.100 0.026 0.000 1.139 483 T CB -0.281 68.595 68.868 0.014 0.000 0.867 483 T HN 0.338 nan 8.240 nan 0.000 0.454 484 E N 0.345 120.532 120.200 -0.022 0.000 2.204 484 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 484 E C 2.226 178.831 176.600 0.008 0.000 0.989 484 E CA 0.626 57.013 56.400 -0.023 0.000 0.824 484 E CB -0.091 29.582 29.700 -0.046 0.000 0.756 484 E HN 0.287 nan 8.360 nan 0.000 0.477 485 V N 0.017 119.955 119.914 0.041 0.000 2.323 485 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 485 V C 0.903 177.119 176.094 0.202 0.000 1.041 485 V CA 1.233 63.609 62.300 0.127 0.000 1.025 485 V CB -0.136 31.827 31.823 0.232 0.000 0.656 485 V HN 0.345 nan 8.190 nan 0.000 0.451 486 H N -1.129 117.990 119.070 0.081 0.000 3.151 486 H HA 0.163 4.719 4.556 -0.000 0.000 0.333 486 H C -2.409 172.967 175.328 0.079 0.000 1.093 486 H CA -0.842 55.256 56.048 0.082 0.000 1.342 486 H CB 2.407 32.228 29.762 0.097 0.000 1.983 486 H HN -0.108 nan 8.280 nan 0.000 0.503 487 P HA -0.167 nan 4.420 nan 0.000 0.217 487 P C 0.953 178.387 177.300 0.223 0.000 1.148 487 P CA 1.679 64.816 63.100 0.061 0.000 0.828 487 P CB 0.511 32.185 31.700 -0.043 0.000 0.783 488 D N -1.522 119.173 120.400 0.492 0.000 2.183 488 D HA -0.183 4.457 4.640 -0.000 0.000 0.203 488 D C 2.104 178.628 176.300 0.374 0.000 0.969 488 D CA 0.511 54.756 54.000 0.407 0.000 0.842 488 D CB -0.609 40.447 40.800 0.426 0.000 0.957 488 D HN 0.162 nan 8.370 nan 0.000 0.484 489 Y N 0.038 120.379 120.300 0.068 0.000 2.114 489 Y HA -0.126 4.423 4.550 -0.000 0.000 0.284 489 Y C 2.322 178.176 175.900 -0.076 0.000 1.143 489 Y CA 1.165 59.112 58.100 -0.256 0.000 1.135 489 Y CB -0.147 37.899 38.460 -0.691 0.000 0.980 489 Y HN 0.112 nan 8.280 nan 0.000 0.499 490 G N -0.582 108.296 108.800 0.129 0.000 2.402 490 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 490 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 490 G C 1.760 176.705 174.900 0.075 0.000 1.162 490 G CA 1.051 46.184 45.100 0.056 0.000 0.777 490 G HN 0.516 nan 8.290 nan 0.000 0.539 491 S N -0.465 115.305 115.700 0.116 0.000 2.382 491 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 491 S C 1.998 176.683 174.600 0.141 0.000 1.027 491 S CA 1.599 59.860 58.200 0.102 0.000 0.991 491 S CB -0.791 62.464 63.200 0.090 0.000 0.823 491 S HN 0.651 nan 8.310 nan 0.000 0.469 492 H N 0.879 119.992 119.070 0.072 0.000 2.357 492 H HA 0.118 4.674 4.556 -0.000 0.000 0.301 492 H C 1.981 177.325 175.328 0.026 0.000 1.082 492 H CA 1.465 57.551 56.048 0.063 0.000 1.342 492 H CB -0.107 29.720 29.762 0.108 0.000 1.389 492 H HN 0.387 nan 8.280 nan 0.000 0.511 493 I N 0.408 121.041 120.570 0.105 0.000 2.252 493 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 493 I C 2.579 178.692 176.117 -0.006 0.000 1.102 493 I CA 1.131 62.400 61.300 -0.051 0.000 1.385 493 I CB -0.188 37.665 38.000 -0.246 0.000 1.064 493 I HN 0.331 nan 8.210 nan 0.000 0.414 494 Q N 1.275 121.085 119.800 0.017 0.000 2.124 494 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 494 Q C 2.136 178.159 176.000 0.038 0.000 0.977 494 Q CA 2.163 57.977 55.803 0.018 0.000 0.850 494 Q CB -0.289 28.462 28.738 0.022 0.000 0.901 494 Q HN 0.499 nan 8.270 nan 0.000 0.429 495 A N -0.055 122.805 122.820 0.065 0.000 1.902 495 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 495 A C 2.090 179.706 177.584 0.054 0.000 1.181 495 A CA 1.424 53.495 52.037 0.057 0.000 0.623 495 A CB -0.730 18.308 19.000 0.064 0.000 0.818 495 A HN 0.445 nan 8.150 nan 0.000 0.443 496 L N -0.681 120.596 121.223 0.090 0.000 2.093 496 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 496 L C 2.533 179.488 176.870 0.143 0.000 1.085 496 L CA 0.826 55.711 54.840 0.075 0.000 0.755 496 L CB -0.489 41.645 42.059 0.124 0.000 0.904 496 L HN 0.364 nan 8.230 nan 0.000 0.435 497 L N -0.486 120.819 121.223 0.137 0.000 2.046 497 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 497 L C 2.243 179.175 176.870 0.105 0.000 1.077 497 L CA 1.077 55.999 54.840 0.138 0.000 0.747 497 L CB -0.629 41.439 42.059 0.016 0.000 0.896 497 L HN 0.284 nan 8.230 nan 0.000 0.432 498 D N 0.059 120.489 120.400 0.051 0.000 2.123 498 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 498 D C 2.094 178.404 176.300 0.016 0.000 0.992 498 D CA 1.217 55.234 54.000 0.028 0.000 0.833 498 D CB -0.050 40.758 40.800 0.014 0.000 0.954 498 D HN 0.230 nan 8.370 nan 0.000 0.455 499 K N -0.534 119.855 120.400 -0.018 0.000 2.057 499 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 499 K C 2.109 178.661 176.600 -0.079 0.000 1.050 499 K CA 0.924 57.157 56.287 -0.089 0.000 0.935 499 K CB -0.115 32.272 32.500 -0.189 0.000 0.715 499 K HN 0.091 nan 8.250 nan 0.000 0.439 500 Y N 1.176 121.470 120.300 -0.011 0.000 2.200 500 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 500 Y C 1.090 176.979 175.900 -0.017 0.000 1.137 500 Y CA 1.136 59.227 58.100 -0.015 0.000 1.163 500 Y CB -0.482 37.963 38.460 -0.026 0.000 0.988 500 Y HN 0.175 nan 8.280 nan 0.000 0.518 501 N N 0.000 118.788 118.700 0.147 0.000 1.763 501 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 501 N CA 0.000 53.093 53.050 0.072 0.000 0.885 501 N CB 0.000 38.513 38.487 0.043 0.000 1.341 501 N HN 0.000 nan 8.380 nan 0.000 0.667